smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)CC[N@H+](Cn1c2cc([N+](=O)[O-])ccc2oc1=S)C(C)C ZINC000112959338 700566254 /nfs/dbraw/zinc/56/62/54/700566254.db2.gz LJTJHPFNPMFRHM-UHFFFAOYSA-N 1 1 353.400 3.103 20 5 FGBDMO COC(=O)CC[N@@H+](Cn1c2cc([N+](=O)[O-])ccc2oc1=S)C(C)C ZINC000112959338 700566257 /nfs/dbraw/zinc/56/62/57/700566257.db2.gz LJTJHPFNPMFRHM-UHFFFAOYSA-N 1 1 353.400 3.103 20 5 FGBDMO Cc1cc(F)cc(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000176760088 705589950 /nfs/dbraw/zinc/58/99/50/705589950.db2.gz VOKHXKNXCZTQNU-ZDUSSCGKSA-N 1 1 351.422 3.284 20 5 FGBDMO C[N@@H+](CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000177061757 705603553 /nfs/dbraw/zinc/60/35/53/705603553.db2.gz WABACPITBXLVHM-UHFFFAOYSA-N 1 1 365.792 3.249 20 5 FGBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000522733722 714203681 /nfs/dbraw/zinc/20/36/81/714203681.db2.gz MCJNFIIKTFQBOG-BETUJISGSA-N 1 1 353.850 3.170 20 5 FGBDMO O=C(NCC[NH+]1CCC1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000542651284 714432749 /nfs/dbraw/zinc/43/27/49/714432749.db2.gz COGOJAYJCWPUPZ-UHFFFAOYSA-N 1 1 363.483 3.313 20 5 FGBDMO CC1(C)CCC[N@@H+](CCNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000770740775 723720410 /nfs/dbraw/zinc/72/04/10/723720410.db2.gz QGLLLRJXUPMURU-UHFFFAOYSA-N 1 1 368.865 3.169 20 5 FGBDMO Cc1ccnc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC001164622796 719065305 /nfs/dbraw/zinc/06/53/05/719065305.db2.gz IUFUPTWYQAPZKZ-ZWKOTPCHSA-N 1 1 352.438 3.399 20 5 FGBDMO Cc1[nH+]ccn1CCCOC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000781675208 724585659 /nfs/dbraw/zinc/58/56/59/724585659.db2.gz BYLBSFALOLWWBC-UHFFFAOYSA-N 1 1 368.187 3.109 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](OC)C2)cc1OC ZINC000782043695 724622217 /nfs/dbraw/zinc/62/22/17/724622217.db2.gz ZNOHREDNFOGFOE-DZGCQCFKSA-N 1 1 352.431 3.249 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](OC)C2)cc1OC ZINC000782043695 724622218 /nfs/dbraw/zinc/62/22/18/724622218.db2.gz ZNOHREDNFOGFOE-DZGCQCFKSA-N 1 1 352.431 3.249 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c(Cl)c1 ZINC000782506811 724676185 /nfs/dbraw/zinc/67/61/85/724676185.db2.gz SQMRPEGVBHVDDD-KRWDZBQOSA-N 1 1 350.777 3.481 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c(Cl)c1 ZINC000782506811 724676187 /nfs/dbraw/zinc/67/61/87/724676187.db2.gz SQMRPEGVBHVDDD-KRWDZBQOSA-N 1 1 350.777 3.481 20 5 FGBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cn3ccc(-c4cccs4)n3)CC2)n1 ZINC000782861196 724704762 /nfs/dbraw/zinc/70/47/62/724704762.db2.gz LLNLWNMWBUECKF-UHFFFAOYSA-N 1 1 358.427 3.011 20 5 FGBDMO CC[N@@H+]1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000754079706 722926408 /nfs/dbraw/zinc/92/64/08/722926408.db2.gz KQGYMQXYHOPONY-VIFPVBQESA-N 1 1 362.308 3.052 20 5 FGBDMO CC[N@H+]1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000754079706 722926410 /nfs/dbraw/zinc/92/64/10/722926410.db2.gz KQGYMQXYHOPONY-VIFPVBQESA-N 1 1 362.308 3.052 20 5 FGBDMO CC[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)CCC(F)(F)F ZINC000757614428 722977520 /nfs/dbraw/zinc/97/75/20/722977520.db2.gz PXFAMDLHZXMSNT-UHFFFAOYSA-N 1 1 367.755 3.252 20 5 FGBDMO C[C@@H](CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000790538042 723151169 /nfs/dbraw/zinc/15/11/69/723151169.db2.gz AVCYFZKXMPXPFP-NEPJUHHUSA-N 1 1 371.840 3.166 20 5 FGBDMO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000791579538 723260638 /nfs/dbraw/zinc/26/06/38/723260638.db2.gz RBUHTOCVEAZZSA-GXSJLCMTSA-N 1 1 363.311 3.335 20 5 FGBDMO O=[N+]([O-])c1ccc(Br)c2c1C[N@H+](C[C@@H]1CCCOC1)CC2 ZINC000792897963 723378728 /nfs/dbraw/zinc/37/87/28/723378728.db2.gz OOHITELCIIVGBL-NSHDSACASA-N 1 1 355.232 3.142 20 5 FGBDMO O=[N+]([O-])c1ccc(Br)c2c1C[N@@H+](C[C@@H]1CCCOC1)CC2 ZINC000792897963 723378731 /nfs/dbraw/zinc/37/87/31/723378731.db2.gz OOHITELCIIVGBL-NSHDSACASA-N 1 1 355.232 3.142 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CC[C@H](CC(F)(F)F)C3)n2)c1 ZINC000766121541 723557216 /nfs/dbraw/zinc/55/72/16/723557216.db2.gz WFSISXWYNPRWPF-LLVKDONJSA-N 1 1 355.320 3.085 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CC[C@H](CC(F)(F)F)C3)n2)c1 ZINC000766121541 723557219 /nfs/dbraw/zinc/55/72/19/723557219.db2.gz WFSISXWYNPRWPF-LLVKDONJSA-N 1 1 355.320 3.085 20 5 FGBDMO C[N@@H+](CCOC(=O)c1ccc(F)cc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000769115303 723677256 /nfs/dbraw/zinc/67/72/56/723677256.db2.gz OQUHDXQUULCMBO-UHFFFAOYSA-N 1 1 350.321 3.162 20 5 FGBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CCC2(C1)CCOCC2 ZINC000769538175 723689390 /nfs/dbraw/zinc/68/93/90/723689390.db2.gz ATGLEVCETYXRST-UHFFFAOYSA-N 1 1 355.232 3.360 20 5 FGBDMO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CCC4(C3)CCOCC4)c2c(Cl)c1 ZINC000774633956 723912338 /nfs/dbraw/zinc/91/23/38/723912338.db2.gz AACCYWNJSYWMBR-UHFFFAOYSA-N 1 1 350.806 3.058 20 5 FGBDMO O=[N+]([O-])c1cc2cnn(C[N@H+]3CCC4(C3)CCOCC4)c2c(Cl)c1 ZINC000774633956 723912339 /nfs/dbraw/zinc/91/23/39/723912339.db2.gz AACCYWNJSYWMBR-UHFFFAOYSA-N 1 1 350.806 3.058 20 5 FGBDMO C[C@H](CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@H]1C ZINC000777945149 724273867 /nfs/dbraw/zinc/27/38/67/724273867.db2.gz XWCBUEZMFZWOTI-CHWSQXEVSA-N 1 1 355.385 3.066 20 5 FGBDMO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CC[C@]4(C3)CCCOC4)c2c(Cl)c1 ZINC000789541061 725135342 /nfs/dbraw/zinc/13/53/42/725135342.db2.gz LJXOFMUPRWRQLJ-INIZCTEOSA-N 1 1 350.806 3.058 20 5 FGBDMO O=[N+]([O-])c1cc2cnn(C[N@H+]3CC[C@]4(C3)CCCOC4)c2c(Cl)c1 ZINC000789541061 725135344 /nfs/dbraw/zinc/13/53/44/725135344.db2.gz LJXOFMUPRWRQLJ-INIZCTEOSA-N 1 1 350.806 3.058 20 5 FGBDMO CCCC[N@@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000808176071 725186788 /nfs/dbraw/zinc/18/67/88/725186788.db2.gz AGFQKRGMOPNSCZ-ZDUSSCGKSA-N 1 1 350.419 3.084 20 5 FGBDMO CCC[C@]1(CO)CC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000808796476 725218093 /nfs/dbraw/zinc/21/80/93/725218093.db2.gz MPHYXHJZNRCDMD-HNNXBMFYSA-N 1 1 357.248 3.342 20 5 FGBDMO CCC[C@]1(CO)CC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000808796476 725218094 /nfs/dbraw/zinc/21/80/94/725218094.db2.gz MPHYXHJZNRCDMD-HNNXBMFYSA-N 1 1 357.248 3.342 20 5 FGBDMO C[N@@H+](CCn1cc(Br)cn1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000808803092 725218511 /nfs/dbraw/zinc/21/85/11/725218511.db2.gz YMGFUOPQQZYSCT-UHFFFAOYSA-N 1 1 373.638 3.339 20 5 FGBDMO COC(=O)c1cc([N+](=O)[O-])c(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1Cl ZINC000811812435 725381238 /nfs/dbraw/zinc/38/12/38/725381238.db2.gz RLESRJAMJHHMJG-ZJUUUORDSA-N 1 1 353.806 3.072 20 5 FGBDMO O=[N+]([O-])c1ccc(CNc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)cc1Cl ZINC000812778609 726809786 /nfs/dbraw/zinc/80/97/86/726809786.db2.gz MJGCYVMQVMHLKI-INIZCTEOSA-N 1 1 361.829 3.427 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000813243620 726853883 /nfs/dbraw/zinc/85/38/83/726853883.db2.gz ZLBAUYREKLFTTO-KRWDZBQOSA-N 1 1 353.394 3.145 20 5 FGBDMO Cc1cc(Cl)c(C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000826570297 729409770 /nfs/dbraw/zinc/40/97/70/729409770.db2.gz YCYYHSMKAMCNSX-CQSZACIVSA-N 1 1 365.861 3.361 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000827142892 729425493 /nfs/dbraw/zinc/42/54/93/729425493.db2.gz UYEBMSYYNKMEDB-CYBMUJFWSA-N 1 1 353.850 3.346 20 5 FGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000832041277 729684520 /nfs/dbraw/zinc/68/45/20/729684520.db2.gz SLTGJNBAINGJNG-CJNGLKHVSA-N 1 1 350.390 3.242 20 5 FGBDMO Cc1cc(Cl)c(C(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000832949280 729736897 /nfs/dbraw/zinc/73/68/97/729736897.db2.gz GABZGCQZGCBVTQ-LLVKDONJSA-N 1 1 351.834 3.113 20 5 FGBDMO C[C@H]1Cc2[nH+]cn(CC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])c2C[C@@H]1C ZINC000839612908 730136177 /nfs/dbraw/zinc/13/61/77/730136177.db2.gz SOKYCHMJGYWNOG-QWRGUYRKSA-N 1 1 362.817 3.454 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@]3(CC3(F)F)C2)cccc1[N+](=O)[O-] ZINC000844437597 730718003 /nfs/dbraw/zinc/71/80/03/730718003.db2.gz ODECFORSTLCIGY-INIZCTEOSA-N 1 1 353.369 3.353 20 5 FGBDMO CCON(C)C(=O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000846062249 730924806 /nfs/dbraw/zinc/92/48/06/730924806.db2.gz AHIAASIPLJUGQS-UHFFFAOYSA-N 1 1 367.789 3.008 20 5 FGBDMO O=[N+]([O-])c1cn(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)nc1-c1ccccn1 ZINC000853502366 731714363 /nfs/dbraw/zinc/71/43/63/731714363.db2.gz YFDXECFXADKROV-GOEBONIOSA-N 1 1 359.455 3.171 20 5 FGBDMO O=[N+]([O-])c1cn(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)nc1-c1ccccn1 ZINC000853502366 731714366 /nfs/dbraw/zinc/71/43/66/731714366.db2.gz YFDXECFXADKROV-GOEBONIOSA-N 1 1 359.455 3.171 20 5 FGBDMO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000856479083 732032148 /nfs/dbraw/zinc/03/21/48/732032148.db2.gz IHQTXVAOBCGAMI-CYBMUJFWSA-N 1 1 351.834 3.100 20 5 FGBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000860258990 732482727 /nfs/dbraw/zinc/48/27/27/732482727.db2.gz ALHYQXNUGOSZGC-CYBMUJFWSA-N 1 1 352.822 3.387 20 5 FGBDMO C[C@H](CC(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)C(F)(F)F ZINC000860780939 732570970 /nfs/dbraw/zinc/57/09/70/732570970.db2.gz RRNTWNYHIPFDRR-RISCZKNCSA-N 1 1 360.332 3.301 20 5 FGBDMO C[C@H](CC(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)C(F)(F)F ZINC000860780939 732570971 /nfs/dbraw/zinc/57/09/71/732570971.db2.gz RRNTWNYHIPFDRR-RISCZKNCSA-N 1 1 360.332 3.301 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)cc1Cl ZINC000863031716 732906772 /nfs/dbraw/zinc/90/67/72/732906772.db2.gz ITDMODUGSTYJJH-CYBMUJFWSA-N 1 1 351.834 3.303 20 5 FGBDMO C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000863323777 732945621 /nfs/dbraw/zinc/94/56/21/732945621.db2.gz TYFYCQMSSVSKNE-AAEUAGOBSA-N 1 1 365.231 3.389 20 5 FGBDMO C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000863323777 732945623 /nfs/dbraw/zinc/94/56/23/732945623.db2.gz TYFYCQMSSVSKNE-AAEUAGOBSA-N 1 1 365.231 3.389 20 5 FGBDMO CCc1[nH+]c(C)cn1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000865393339 733191325 /nfs/dbraw/zinc/19/13/25/733191325.db2.gz RTCBZMLXSONVRQ-UHFFFAOYSA-N 1 1 355.341 3.363 20 5 FGBDMO C[C@@H](Nc1cc(F)c([N+](=O)[O-])cc1CO)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000865667579 733248852 /nfs/dbraw/zinc/24/88/52/733248852.db2.gz MNAHJIXKISXAEE-OLZOCXBDSA-N 1 1 351.422 3.291 20 5 FGBDMO C[NH+]1CCN(C2CCN(c3c(Cl)c(Cl)ccc3[N+](=O)[O-])CC2)CC1 ZINC000866211525 733324727 /nfs/dbraw/zinc/32/47/27/733324727.db2.gz JDVPJJIPUPHLLU-UHFFFAOYSA-N 1 1 373.284 3.118 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000874834937 735937500 /nfs/dbraw/zinc/93/75/00/735937500.db2.gz VXNUYMDVAZLOHY-HZPDHXFCSA-N 1 1 363.483 3.404 20 5 FGBDMO CO[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)[C@@H](C)C1 ZINC000878554703 736886544 /nfs/dbraw/zinc/88/65/44/736886544.db2.gz HVFNCASMYHMPAU-CMPLNLGQSA-N 1 1 366.805 3.298 20 5 FGBDMO CO[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)[C@@H](C)C1 ZINC000878554703 736886548 /nfs/dbraw/zinc/88/65/48/736886548.db2.gz HVFNCASMYHMPAU-CMPLNLGQSA-N 1 1 366.805 3.298 20 5 FGBDMO C[C@@H]1C[NH+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H](C)C1(F)F ZINC000879030857 736948193 /nfs/dbraw/zinc/94/81/93/736948193.db2.gz PFQNXJHXCZVLEY-GHMZBOCLSA-N 1 1 352.341 3.368 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879558095 737006031 /nfs/dbraw/zinc/00/60/31/737006031.db2.gz GZSCLKFKYOIWMY-UTUOFQBUSA-N 1 1 369.874 3.260 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879558095 737006032 /nfs/dbraw/zinc/00/60/32/737006032.db2.gz GZSCLKFKYOIWMY-UTUOFQBUSA-N 1 1 369.874 3.260 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@@H+]2CCC[C@H](CF)C2)o1 ZINC000880238593 737141283 /nfs/dbraw/zinc/14/12/83/737141283.db2.gz ICMHNSCPPZMEGJ-SNVBAGLBSA-N 1 1 354.769 3.480 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@H+]2CCC[C@H](CF)C2)o1 ZINC000880238593 737141288 /nfs/dbraw/zinc/14/12/88/737141288.db2.gz ICMHNSCPPZMEGJ-SNVBAGLBSA-N 1 1 354.769 3.480 20 5 FGBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895847255 742462678 /nfs/dbraw/zinc/46/26/78/742462678.db2.gz UABXOJVKHDDYSD-NHYWBVRUSA-N 1 1 355.232 3.358 20 5 FGBDMO COC1(OC)CC2(C[N@H+](Cc3ccc([N+](=O)[O-])cc3F)[C@@H]2C(C)C)C1 ZINC000895990845 742478212 /nfs/dbraw/zinc/47/82/12/742478212.db2.gz WYJXFNNOMDKNFV-MRXNPFEDSA-N 1 1 352.406 3.343 20 5 FGBDMO COC1(OC)CC2(C[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)[C@@H]2C(C)C)C1 ZINC000895990845 742478214 /nfs/dbraw/zinc/47/82/14/742478214.db2.gz WYJXFNNOMDKNFV-MRXNPFEDSA-N 1 1 352.406 3.343 20 5 FGBDMO Cc1[nH+]ccn1CCCCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900826711 743179482 /nfs/dbraw/zinc/17/94/82/743179482.db2.gz NCXJXVZSJDHHEJ-UHFFFAOYSA-N 1 1 354.769 3.102 20 5 FGBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000907929367 744247670 /nfs/dbraw/zinc/24/76/70/744247670.db2.gz HURBTHVNOMDQMQ-AWEZNQCLSA-N 1 1 353.850 3.124 20 5 FGBDMO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NCc1c[nH+]c2n1CCCC2 ZINC000935884435 761963760 /nfs/dbraw/zinc/96/37/60/761963760.db2.gz BPSPAGXJRWNFMI-UHFFFAOYSA-N 1 1 362.817 3.030 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000912284096 757300748 /nfs/dbraw/zinc/30/07/48/757300748.db2.gz OGQSJGZEDJTDGF-CYBMUJFWSA-N 1 1 367.877 3.417 20 5 FGBDMO Cc1noc(C[C@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)n1 ZINC000933573818 761431412 /nfs/dbraw/zinc/43/14/12/761431412.db2.gz FUNDYWFZJXIGOX-GFCCVEGCSA-N 1 1 350.806 3.394 20 5 FGBDMO Cc1noc(C[C@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)n1 ZINC000933573818 761431419 /nfs/dbraw/zinc/43/14/19/761431419.db2.gz FUNDYWFZJXIGOX-GFCCVEGCSA-N 1 1 350.806 3.394 20 5 FGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](c3nccc(C(F)(F)F)n3)C2)c1 ZINC000933713404 761461954 /nfs/dbraw/zinc/46/19/54/761461954.db2.gz YKUWHELMFMUJTF-LBPRGKRZSA-N 1 1 352.316 3.393 20 5 FGBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000106319475 206015698 /nfs/dbraw/zinc/01/56/98/206015698.db2.gz NOUIJCHEMYPEIF-UHFFFAOYSA-N 1 1 371.437 3.130 20 5 FGBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533807395 503956960 /nfs/dbraw/zinc/95/69/60/503956960.db2.gz NPUSANVCUIJMDK-OWCLPIDISA-N 1 1 374.485 3.029 20 5 FGBDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3C)C2)nc1 ZINC000080925989 493791808 /nfs/dbraw/zinc/79/18/08/493791808.db2.gz WFBSRFAFEYZEDQ-QGZVFWFLSA-N 1 1 368.437 3.457 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@H](c4ncc[nH]4)C3)o2)c1 ZINC000080961342 493800015 /nfs/dbraw/zinc/80/00/15/493800015.db2.gz DFEVYIVMMCOQFK-HNNXBMFYSA-N 1 1 367.409 3.395 20 5 FGBDMO CCC[N@H+](C)C[C@@H]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000081572248 493920332 /nfs/dbraw/zinc/92/03/32/493920332.db2.gz VYMQXWDAAKBVQG-INIZCTEOSA-N 1 1 372.469 3.456 20 5 FGBDMO CCC[N@@H+](C)C[C@@H]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000081572248 493920335 /nfs/dbraw/zinc/92/03/35/493920335.db2.gz VYMQXWDAAKBVQG-INIZCTEOSA-N 1 1 372.469 3.456 20 5 FGBDMO COc1ccc(C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1[N+](=O)[O-] ZINC000051855298 493990852 /nfs/dbraw/zinc/99/08/52/493990852.db2.gz SGFWUQGJLMAGMX-CQSZACIVSA-N 1 1 367.409 3.377 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)s1 ZINC000577259633 505695981 /nfs/dbraw/zinc/69/59/81/505695981.db2.gz JIHXTUZHBUCRIM-ZDUSSCGKSA-N 1 1 371.422 3.481 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)Cc1sccc1C ZINC000008309906 494082540 /nfs/dbraw/zinc/08/25/40/494082540.db2.gz ZWUIYWPKGBCARW-GFCCVEGCSA-N 1 1 363.439 3.432 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1sccc1C ZINC000008309906 494082543 /nfs/dbraw/zinc/08/25/43/494082543.db2.gz ZWUIYWPKGBCARW-GFCCVEGCSA-N 1 1 363.439 3.432 20 5 FGBDMO C[C@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000063810341 494090790 /nfs/dbraw/zinc/09/07/90/494090790.db2.gz WIJXMUMUSGMIKQ-HZPDHXFCSA-N 1 1 362.474 3.024 20 5 FGBDMO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000064316992 494112521 /nfs/dbraw/zinc/11/25/21/494112521.db2.gz FFHDKLNDLQIGNN-GOSISDBHSA-N 1 1 365.433 3.396 20 5 FGBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cc(=O)n2ccccc2n1 ZINC000064350190 494116212 /nfs/dbraw/zinc/11/62/12/494116212.db2.gz OVORXUVDDYBRLP-UHFFFAOYSA-N 1 1 352.394 3.013 20 5 FGBDMO CCc1ccccc1NC(=O)C[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065208754 494178918 /nfs/dbraw/zinc/17/89/18/494178918.db2.gz PTZKLWPPDZXVQA-UHFFFAOYSA-N 1 1 357.410 3.107 20 5 FGBDMO CCc1ccccc1NC(=O)C[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065208754 494178919 /nfs/dbraw/zinc/17/89/19/494178919.db2.gz PTZKLWPPDZXVQA-UHFFFAOYSA-N 1 1 357.410 3.107 20 5 FGBDMO O=C(CC[N@@H+]1CC=C(c2ccc(O)cc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000041895228 494185742 /nfs/dbraw/zinc/18/57/42/494185742.db2.gz NXQRKELCKMILIJ-UHFFFAOYSA-N 1 1 367.405 3.418 20 5 FGBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCc2ccccc21 ZINC000042635285 494231498 /nfs/dbraw/zinc/23/14/98/494231498.db2.gz XUOAYCJVKRKGDQ-IBGZPJMESA-N 1 1 351.406 3.103 20 5 FGBDMO Cc1cccc(C)c1OC[C@@H](O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607906 494253347 /nfs/dbraw/zinc/25/33/47/494253347.db2.gz ILWHZVDXHUVQLT-IBGZPJMESA-N 1 1 356.422 3.010 20 5 FGBDMO Cc1cccc(C)c1OC[C@@H](O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607906 494253351 /nfs/dbraw/zinc/25/33/51/494253351.db2.gz ILWHZVDXHUVQLT-IBGZPJMESA-N 1 1 356.422 3.010 20 5 FGBDMO CCS[C@@H]1CC[C@H]([N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000072838229 494261922 /nfs/dbraw/zinc/26/19/22/494261922.db2.gz VXRCTYNWYSMGSF-DZGCQCFKSA-N 1 1 351.472 3.448 20 5 FGBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000054698520 494263402 /nfs/dbraw/zinc/26/34/02/494263402.db2.gz QMYAZWYTJRZRIX-QAPCUYQASA-N 1 1 368.437 3.230 20 5 FGBDMO NC(=O)c1ccc(C[N@@H+](CCc2cccc(F)c2)C2CC2)c([N+](=O)[O-])c1 ZINC000072978046 494297799 /nfs/dbraw/zinc/29/77/99/494297799.db2.gz ZSWYVKBUOIXVMR-UHFFFAOYSA-N 1 1 357.385 3.040 20 5 FGBDMO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000066473840 494341612 /nfs/dbraw/zinc/34/16/12/494341612.db2.gz GFNQMXIRMANPMJ-CABCVRRESA-N 1 1 363.458 3.120 20 5 FGBDMO C[N@H+]1CCC[C@H]2CN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@@H]21 ZINC000089909992 494398980 /nfs/dbraw/zinc/39/89/80/494398980.db2.gz FGFLXUMJFZYBQV-YJBOKZPZSA-N 1 1 356.426 3.166 20 5 FGBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000055908507 494426972 /nfs/dbraw/zinc/42/69/72/494426972.db2.gz KAKHNGCYCOWXGY-QGZVFWFLSA-N 1 1 357.385 3.040 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCCNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000073869093 494440584 /nfs/dbraw/zinc/44/05/84/494440584.db2.gz DHPWTZQPVGOAJZ-AWEZNQCLSA-N 1 1 360.458 3.163 20 5 FGBDMO CN(C)c1[nH+]cc(CNC(=O)c2cc3ccccc3c3cccnc23)n1C ZINC000074096397 494480042 /nfs/dbraw/zinc/48/00/42/494480042.db2.gz FLAWMOSLSQTZDP-UHFFFAOYSA-N 1 1 359.433 3.118 20 5 FGBDMO C[N@@H+]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@H](c2ccccc2)C1 ZINC000056372318 494494449 /nfs/dbraw/zinc/49/44/49/494494449.db2.gz XVSJVSHGNVPVFD-SFHVURJKSA-N 1 1 364.405 3.205 20 5 FGBDMO C[N@H+]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@H](c2ccccc2)C1 ZINC000056372318 494494452 /nfs/dbraw/zinc/49/44/52/494494452.db2.gz XVSJVSHGNVPVFD-SFHVURJKSA-N 1 1 364.405 3.205 20 5 FGBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000056530293 494521309 /nfs/dbraw/zinc/52/13/09/494521309.db2.gz XMMGITHPMDUJEN-NWDGAFQWSA-N 1 1 354.838 3.490 20 5 FGBDMO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000074445742 494537691 /nfs/dbraw/zinc/53/76/91/494537691.db2.gz WHPWDUVPCMXXKY-HXUWFJFHSA-N 1 1 367.449 3.260 20 5 FGBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000046752462 494561330 /nfs/dbraw/zinc/56/13/30/494561330.db2.gz QNSHEALLERTJGY-MRXNPFEDSA-N 1 1 362.474 3.248 20 5 FGBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056947450 494599186 /nfs/dbraw/zinc/59/91/86/494599186.db2.gz ADCOGXIBWUZSQR-QXSJWSMHSA-N 1 1 362.474 3.321 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CC[C@@H](Nc4ncccn4)C3)o2)c1 ZINC000580312761 505730431 /nfs/dbraw/zinc/73/04/31/505730431.db2.gz BECJPYONPIYJEZ-OAHLLOKOSA-N 1 1 365.393 3.331 20 5 FGBDMO CC[N@H+](Cc1cnn(C)c1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000092437769 494627070 /nfs/dbraw/zinc/62/70/70/494627070.db2.gz NQSVQOVUBRUTHV-UHFFFAOYSA-N 1 1 353.220 3.113 20 5 FGBDMO CC[N@@H+](Cc1cnn(C)c1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000092437769 494627076 /nfs/dbraw/zinc/62/70/76/494627076.db2.gz NQSVQOVUBRUTHV-UHFFFAOYSA-N 1 1 353.220 3.113 20 5 FGBDMO C[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000024746507 494659566 /nfs/dbraw/zinc/65/95/66/494659566.db2.gz PYXACYBHSJREQI-AWEZNQCLSA-N 1 1 354.410 3.163 20 5 FGBDMO CCc1nn(C)c(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1[N+](=O)[O-] ZINC000091742416 494665340 /nfs/dbraw/zinc/66/53/40/494665340.db2.gz VNZQPCUUBZFAEF-HNNXBMFYSA-N 1 1 363.506 3.372 20 5 FGBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000080308372 494674880 /nfs/dbraw/zinc/67/48/80/494674880.db2.gz BETCNNVANDGGDU-NSHDSACASA-N 1 1 359.348 3.027 20 5 FGBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000047388229 494695878 /nfs/dbraw/zinc/69/58/78/494695878.db2.gz MTXJKOFUJAJPAJ-UHFFFAOYSA-N 1 1 355.438 3.294 20 5 FGBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)c1 ZINC000126303377 494702876 /nfs/dbraw/zinc/70/28/76/494702876.db2.gz MTDWLILJQAFJCC-CYBMUJFWSA-N 1 1 371.224 3.251 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000080464287 494711243 /nfs/dbraw/zinc/71/12/43/494711243.db2.gz VXWLZPLVGAFYDU-CQSZACIVSA-N 1 1 363.483 3.121 20 5 FGBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCc2cc(F)ccc2C1 ZINC000091891856 494713323 /nfs/dbraw/zinc/71/33/23/494713323.db2.gz TXBJTRHIMFFOOS-UHFFFAOYSA-N 1 1 371.368 3.090 20 5 FGBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCc2cc(F)ccc2C1 ZINC000091891856 494713327 /nfs/dbraw/zinc/71/33/27/494713327.db2.gz TXBJTRHIMFFOOS-UHFFFAOYSA-N 1 1 371.368 3.090 20 5 FGBDMO CCN(CC)C(=O)C1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116274410 494751152 /nfs/dbraw/zinc/75/11/52/494751152.db2.gz ZGHLMEMTSBLYMR-UHFFFAOYSA-N 1 1 353.850 3.329 20 5 FGBDMO CCc1nn(C)c(NCc2ccc(-n3cc[nH+]c3C)c(F)c2)c1[N+](=O)[O-] ZINC000092829140 494767773 /nfs/dbraw/zinc/76/77/73/494767773.db2.gz AEAXJPOGBLSKIS-UHFFFAOYSA-N 1 1 358.377 3.136 20 5 FGBDMO CC(C)c1ccc(CN2CCC([N@H+]3CCO[C@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000092079427 494782355 /nfs/dbraw/zinc/78/23/55/494782355.db2.gz PQTLYIXMGUHFRE-MRXNPFEDSA-N 1 1 361.486 3.403 20 5 FGBDMO CC(C)c1ccc(C[NH+]2CCC(N3CCO[C@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000092079427 494782360 /nfs/dbraw/zinc/78/23/60/494782360.db2.gz PQTLYIXMGUHFRE-MRXNPFEDSA-N 1 1 361.486 3.403 20 5 FGBDMO Cc1[nH+]ccn1-c1cncc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000092940730 494791908 /nfs/dbraw/zinc/79/19/08/494791908.db2.gz AXWBMFWKGVXRKT-UHFFFAOYSA-N 1 1 350.382 3.048 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cn1 ZINC000026594527 494832476 /nfs/dbraw/zinc/83/24/76/494832476.db2.gz HZYATWZDZKVBMS-UHFFFAOYSA-N 1 1 366.343 3.331 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000027557501 494873371 /nfs/dbraw/zinc/87/33/71/494873371.db2.gz ILLQHUCTNZGSDX-GFCCVEGCSA-N 1 1 361.373 3.374 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000027557501 494873373 /nfs/dbraw/zinc/87/33/73/494873373.db2.gz ILLQHUCTNZGSDX-GFCCVEGCSA-N 1 1 361.373 3.374 20 5 FGBDMO CCOc1cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1OC ZINC000093534407 494898392 /nfs/dbraw/zinc/89/83/92/494898392.db2.gz JXPOZJSXEJJXJK-HNNXBMFYSA-N 1 1 372.425 3.084 20 5 FGBDMO COc1cc(C)c(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1OC ZINC000093534542 494899038 /nfs/dbraw/zinc/89/90/38/494899038.db2.gz OVLVHMMISRLPOI-OAHLLOKOSA-N 1 1 372.425 3.002 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cccc(Cl)c3F)C2)nc1 ZINC000093534777 494899069 /nfs/dbraw/zinc/89/90/69/494899069.db2.gz XAHWIXBJFIWJKS-LBPRGKRZSA-N 1 1 350.781 3.469 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cccc(Cl)c3F)C2)nc1 ZINC000093534777 494899071 /nfs/dbraw/zinc/89/90/71/494899071.db2.gz XAHWIXBJFIWJKS-LBPRGKRZSA-N 1 1 350.781 3.469 20 5 FGBDMO COc1cc(C[N@H+](C)Cc2cccc(N(C)C)c2)c([N+](=O)[O-])cc1OC ZINC000093845685 494928382 /nfs/dbraw/zinc/92/83/82/494928382.db2.gz YABXUHAWDCFYHS-UHFFFAOYSA-N 1 1 359.426 3.310 20 5 FGBDMO COc1cc(C[N@@H+](C)Cc2cccc(N(C)C)c2)c([N+](=O)[O-])cc1OC ZINC000093845685 494928385 /nfs/dbraw/zinc/92/83/85/494928385.db2.gz YABXUHAWDCFYHS-UHFFFAOYSA-N 1 1 359.426 3.310 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000117757444 494952795 /nfs/dbraw/zinc/95/27/95/494952795.db2.gz VPMSHUAQIWTQKG-UHFFFAOYSA-N 1 1 371.784 3.319 20 5 FGBDMO C[C@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[N@@H+](C)Cc1ccccc1 ZINC000110965237 495026175 /nfs/dbraw/zinc/02/61/75/495026175.db2.gz YEBPVIXQYNQQFI-CQSZACIVSA-N 1 1 366.421 3.326 20 5 FGBDMO COc1ccc(Cl)cc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118867068 495050327 /nfs/dbraw/zinc/05/03/27/495050327.db2.gz SSNVFDHHUIYJNU-AWEZNQCLSA-N 1 1 362.817 3.338 20 5 FGBDMO COc1ccc(Cl)cc1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118867068 495050329 /nfs/dbraw/zinc/05/03/29/495050329.db2.gz SSNVFDHHUIYJNU-AWEZNQCLSA-N 1 1 362.817 3.338 20 5 FGBDMO Cc1ccc(N2CCC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])CC2)nn1 ZINC000118979350 495063408 /nfs/dbraw/zinc/06/34/08/495063408.db2.gz KXVFZAQIPIGOQW-UHFFFAOYSA-N 1 1 361.833 3.059 20 5 FGBDMO Cc1ccc(N2CCC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])CC2)nn1 ZINC000118979350 495063410 /nfs/dbraw/zinc/06/34/10/495063410.db2.gz KXVFZAQIPIGOQW-UHFFFAOYSA-N 1 1 361.833 3.059 20 5 FGBDMO O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000101920499 495108267 /nfs/dbraw/zinc/10/82/67/495108267.db2.gz XGYDLBGWIBTLMJ-INIZCTEOSA-N 1 1 358.373 3.130 20 5 FGBDMO O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000101920499 495108268 /nfs/dbraw/zinc/10/82/68/495108268.db2.gz XGYDLBGWIBTLMJ-INIZCTEOSA-N 1 1 358.373 3.130 20 5 FGBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000123599641 495158962 /nfs/dbraw/zinc/15/89/62/495158962.db2.gz VCXPDKKCTDGEIX-OAHLLOKOSA-N 1 1 370.453 3.385 20 5 FGBDMO COc1ccc(NC(=O)CC[N@H+]2CCCC[C@H](SC)C2)c([N+](=O)[O-])c1 ZINC000134577782 495171015 /nfs/dbraw/zinc/17/10/15/495171015.db2.gz WZLQGNRQENMKOM-AWEZNQCLSA-N 1 1 367.471 3.150 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000134868715 495212589 /nfs/dbraw/zinc/21/25/89/495212589.db2.gz JIZKUEBESXTUGP-DOTOQJQBSA-N 1 1 353.422 3.296 20 5 FGBDMO COc1cc(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000123978800 495215153 /nfs/dbraw/zinc/21/51/53/495215153.db2.gz WDOHJDCGFMMXFA-WCQYABFASA-N 1 1 373.400 3.119 20 5 FGBDMO C[C@@H]1C[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000134946819 495228774 /nfs/dbraw/zinc/22/87/74/495228774.db2.gz ZUDZXGHCMMQKOY-APWZRJJASA-N 1 1 367.449 3.307 20 5 FGBDMO CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000104650262 495294619 /nfs/dbraw/zinc/29/46/19/495294619.db2.gz LRAIJMKMOQGAFO-UHFFFAOYSA-N 1 1 353.422 3.331 20 5 FGBDMO CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000104650262 495294623 /nfs/dbraw/zinc/29/46/23/495294623.db2.gz LRAIJMKMOQGAFO-UHFFFAOYSA-N 1 1 353.422 3.331 20 5 FGBDMO COc1ccccc1CC[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000104710571 495299481 /nfs/dbraw/zinc/29/94/81/495299481.db2.gz XFYNDTJPICCAGK-UHFFFAOYSA-N 1 1 357.410 3.025 20 5 FGBDMO COc1ccccc1CC[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000104710571 495299483 /nfs/dbraw/zinc/29/94/83/495299483.db2.gz XFYNDTJPICCAGK-UHFFFAOYSA-N 1 1 357.410 3.025 20 5 FGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000135546303 495309477 /nfs/dbraw/zinc/30/94/77/495309477.db2.gz LTHJWGCKYFYCPJ-DOTOQJQBSA-N 1 1 352.456 3.088 20 5 FGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000135546303 495309480 /nfs/dbraw/zinc/30/94/80/495309480.db2.gz LTHJWGCKYFYCPJ-DOTOQJQBSA-N 1 1 352.456 3.088 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000129933907 495316168 /nfs/dbraw/zinc/31/61/68/495316168.db2.gz ZVVCFLYZBJKWHE-HLLBOEOZSA-N 1 1 362.474 3.336 20 5 FGBDMO Cc1cc[nH+]c(N2CCN(C(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)CC2)c1 ZINC000120285810 495343484 /nfs/dbraw/zinc/34/34/84/495343484.db2.gz KPSHPRBMHLAKCQ-UHFFFAOYSA-N 1 1 369.425 3.269 20 5 FGBDMO CC[N@@H+](C)[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000130297552 495369873 /nfs/dbraw/zinc/36/98/73/495369873.db2.gz HAFPPWDFPRIYSR-LJQANCHMSA-N 1 1 353.422 3.173 20 5 FGBDMO Cc1cccc2nc(C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc(=O)n12 ZINC000130701071 495431888 /nfs/dbraw/zinc/43/18/88/495431888.db2.gz IMMWINLAGHZISJ-UHFFFAOYSA-N 1 1 364.405 3.076 20 5 FGBDMO Cc1cccc2nc(C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc(=O)n12 ZINC000130701071 495431892 /nfs/dbraw/zinc/43/18/92/495431892.db2.gz IMMWINLAGHZISJ-UHFFFAOYSA-N 1 1 364.405 3.076 20 5 FGBDMO COc1cc(C[N@H+]2CCCN(c3ccccc3)CC2)c([N+](=O)[O-])cc1OC ZINC000130768022 495442227 /nfs/dbraw/zinc/44/22/27/495442227.db2.gz UXWLEISAVGLLCQ-UHFFFAOYSA-N 1 1 371.437 3.324 20 5 FGBDMO COc1ccc(CCC[N@@H+](C)[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000125894895 495514924 /nfs/dbraw/zinc/51/49/24/495514924.db2.gz QASMMMAPNSJPJV-OAHLLOKOSA-N 1 1 371.437 3.495 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCOc3ccccc3Cl)C2)nc1 ZINC000173465629 495542414 /nfs/dbraw/zinc/54/24/14/495542414.db2.gz PQPAMSLGJPBMLJ-ZDUSSCGKSA-N 1 1 362.817 3.208 20 5 FGBDMO COc1ccc2[nH]cc(C3=CC[N@@H+](CCn4ccc([N+](=O)[O-])n4)CC3)c2c1 ZINC000176211333 495548375 /nfs/dbraw/zinc/54/83/75/495548375.db2.gz JJUNKURXOXBRFF-UHFFFAOYSA-N 1 1 367.409 3.071 20 5 FGBDMO Cc1cnc([C@H]([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C2CC2)s1 ZINC000185372789 495552842 /nfs/dbraw/zinc/55/28/42/495552842.db2.gz XUMIAMXDISHWRX-MRXNPFEDSA-N 1 1 360.439 3.063 20 5 FGBDMO COc1ccc(OCC[N@H+]2CCCN(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000173553992 495585122 /nfs/dbraw/zinc/58/51/22/495585122.db2.gz JLEZNKUQWZRODE-UHFFFAOYSA-N 1 1 371.437 3.195 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000179447553 495595350 /nfs/dbraw/zinc/59/53/50/495595350.db2.gz QLHJWFUPSWOULK-OAHLLOKOSA-N 1 1 372.469 3.103 20 5 FGBDMO COc1cc(C(=O)N2C[C@@H]3CCC[N@H+]3Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000154420332 495611762 /nfs/dbraw/zinc/61/17/62/495611762.db2.gz HARRDIAUBCOSSG-INIZCTEOSA-N 1 1 367.405 3.228 20 5 FGBDMO COc1cc(C[N@@H+]2CCC[C@H](O)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000179523480 495628348 /nfs/dbraw/zinc/62/83/48/495628348.db2.gz LPLBQAJEVBWWRO-KRWDZBQOSA-N 1 1 372.421 3.139 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@H](O)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000179523480 495628353 /nfs/dbraw/zinc/62/83/53/495628353.db2.gz LPLBQAJEVBWWRO-KRWDZBQOSA-N 1 1 372.421 3.139 20 5 FGBDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000574533792 505795231 /nfs/dbraw/zinc/79/52/31/505795231.db2.gz YKZAVBIBKJXTTL-INIZCTEOSA-N 1 1 363.461 3.238 20 5 FGBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000574533792 505795235 /nfs/dbraw/zinc/79/52/35/505795235.db2.gz YKZAVBIBKJXTTL-INIZCTEOSA-N 1 1 363.461 3.238 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185684671 495678018 /nfs/dbraw/zinc/67/80/18/495678018.db2.gz KYCDJBWKGMETKB-HOTGVXAUSA-N 1 1 374.485 3.084 20 5 FGBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 ZINC000173782608 495691202 /nfs/dbraw/zinc/69/12/02/495691202.db2.gz WSMMYRLGAWOGEM-CYBMUJFWSA-N 1 1 351.472 3.121 20 5 FGBDMO O=C1CCCCN1C1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000154711640 495704460 /nfs/dbraw/zinc/70/44/60/495704460.db2.gz ULESKKFRJXTOAY-UHFFFAOYSA-N 1 1 351.834 3.225 20 5 FGBDMO C[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185740815 495704526 /nfs/dbraw/zinc/70/45/26/495704526.db2.gz TXBLLGTWSGDMQF-PMPSAXMXSA-N 1 1 374.485 3.164 20 5 FGBDMO C[C@@H]1CCC[N@H+]1C1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000154892297 495763783 /nfs/dbraw/zinc/76/37/83/495763783.db2.gz CWVUHXPZVSGFBB-LLVKDONJSA-N 1 1 369.263 3.205 20 5 FGBDMO Cc1c(C[NH+]2CCC(CCCN3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000182973769 495781196 /nfs/dbraw/zinc/78/11/96/495781196.db2.gz VISZUUFJWLLQBH-UHFFFAOYSA-N 1 1 361.486 3.228 20 5 FGBDMO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1nc(Cc2ccccc2)no1 ZINC000174074142 495810910 /nfs/dbraw/zinc/81/09/10/495810910.db2.gz XDFBHQRYVDVQEU-CQSZACIVSA-N 1 1 368.393 3.298 20 5 FGBDMO COCCOC[C@@H]1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000180010471 495821617 /nfs/dbraw/zinc/82/16/17/495821617.db2.gz IXTBVJAGMQMSFC-OAHLLOKOSA-N 1 1 360.410 3.340 20 5 FGBDMO C[N@H+]1CCC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)[C@@H]1c1cccs1 ZINC000176878266 495823155 /nfs/dbraw/zinc/82/31/55/495823155.db2.gz NMODPNHMKVWRST-SJKOYZFVSA-N 1 1 374.466 3.051 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000151547142 495874279 /nfs/dbraw/zinc/87/42/79/495874279.db2.gz SLNCWRAFWRXKQJ-SFHVURJKSA-N 1 1 369.421 3.133 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000151547142 495874282 /nfs/dbraw/zinc/87/42/82/495874282.db2.gz SLNCWRAFWRXKQJ-SFHVURJKSA-N 1 1 369.421 3.133 20 5 FGBDMO COc1ccc([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000155330645 495922035 /nfs/dbraw/zinc/92/20/35/495922035.db2.gz TZLHMOOIUHMMEW-ZBFHGGJFSA-N 1 1 369.421 3.420 20 5 FGBDMO CC(C)(CNC(=O)c1ccc(F)cc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000177134991 495941624 /nfs/dbraw/zinc/94/16/24/495941624.db2.gz SYVPUUDKFGUEBU-UHFFFAOYSA-N 1 1 371.412 3.301 20 5 FGBDMO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000186377368 495972773 /nfs/dbraw/zinc/97/27/73/495972773.db2.gz ILEZLRHLYINELP-CVEARBPZSA-N 1 1 360.414 3.328 20 5 FGBDMO Cc1csc([C@@H]([NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C2CC2)n1 ZINC000183523593 496018932 /nfs/dbraw/zinc/01/89/32/496018932.db2.gz NUIQFTJVGJMTNJ-INIZCTEOSA-N 1 1 360.439 3.348 20 5 FGBDMO Cn1cc[nH+]c1CC1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000160687058 496021008 /nfs/dbraw/zinc/02/10/08/496021008.db2.gz ORDWYUBXVSDNDZ-UHFFFAOYSA-N 1 1 351.410 3.336 20 5 FGBDMO CSc1cccc(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)c1[N+](=O)[O-] ZINC000186606508 496069791 /nfs/dbraw/zinc/06/97/91/496069791.db2.gz QKLGFRMWLOKSIT-AWEZNQCLSA-N 1 1 363.483 3.311 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000177466469 496072773 /nfs/dbraw/zinc/07/27/73/496072773.db2.gz YEPTVKQLTWVVSJ-INIZCTEOSA-N 1 1 354.834 3.408 20 5 FGBDMO C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174721289 496077048 /nfs/dbraw/zinc/07/70/48/496077048.db2.gz VFAFINVLTWRWDY-GWCFXTLKSA-N 1 1 373.240 3.152 20 5 FGBDMO COc1ccc(C[N@@H+](Cc2ccccc2)[C@H](CO)C2CC2)cc1[N+](=O)[O-] ZINC000155951391 496116089 /nfs/dbraw/zinc/11/60/89/496116089.db2.gz QXAHQDMKTUBGEH-LJQANCHMSA-N 1 1 356.422 3.377 20 5 FGBDMO CCOc1ccccc1C[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000172169508 496193449 /nfs/dbraw/zinc/19/34/49/496193449.db2.gz DWVDHFSPZYOYOW-UHFFFAOYSA-N 1 1 357.410 3.454 20 5 FGBDMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175001789 496202403 /nfs/dbraw/zinc/20/24/03/496202403.db2.gz LLWQSKQYERYFKF-AWEZNQCLSA-N 1 1 363.801 3.408 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186935582 496219222 /nfs/dbraw/zinc/21/92/22/496219222.db2.gz LXBYOHPHHQFQBD-UHFFFAOYSA-N 1 1 374.412 3.312 20 5 FGBDMO CC(C)c1[nH+]ccn1CCC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000175110975 496250678 /nfs/dbraw/zinc/25/06/78/496250678.db2.gz HBBVWULMGXMZGD-UHFFFAOYSA-N 1 1 358.442 3.444 20 5 FGBDMO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000175156732 496270129 /nfs/dbraw/zinc/27/01/29/496270129.db2.gz BXYDMZCMKALZPZ-OAHLLOKOSA-N 1 1 363.458 3.122 20 5 FGBDMO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000175156732 496270134 /nfs/dbraw/zinc/27/01/34/496270134.db2.gz BXYDMZCMKALZPZ-OAHLLOKOSA-N 1 1 363.458 3.122 20 5 FGBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000181137041 496283947 /nfs/dbraw/zinc/28/39/47/496283947.db2.gz VUNTUCRSBWEBLR-GFCCVEGCSA-N 1 1 371.384 3.046 20 5 FGBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000175284630 496323198 /nfs/dbraw/zinc/32/31/98/496323198.db2.gz CUJGUTPOAILLJN-MRXNPFEDSA-N 1 1 357.410 3.172 20 5 FGBDMO COCC[N@@H+](C)CCCC1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000162581603 496377809 /nfs/dbraw/zinc/37/78/09/496377809.db2.gz YFYLKCLPOZIPBV-UHFFFAOYSA-N 1 1 365.474 3.178 20 5 FGBDMO O=[N+]([O-])c1cccc(C[N@H+](C[C@H](O)COc2ccc(F)cc2)C2CC2)c1 ZINC000153231725 496390466 /nfs/dbraw/zinc/39/04/66/496390466.db2.gz AEXCFSVBVAAEES-SFHVURJKSA-N 1 1 360.385 3.138 20 5 FGBDMO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000184486275 496407387 /nfs/dbraw/zinc/40/73/87/496407387.db2.gz CJOIGLDVPPWXMJ-HNNXBMFYSA-N 1 1 350.415 3.027 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+](C)CC2(O)CCCCCC2)cccc1[N+](=O)[O-] ZINC000187363250 496411323 /nfs/dbraw/zinc/41/13/23/496411323.db2.gz GBKMLXPGVLCUSO-UHFFFAOYSA-N 1 1 363.458 3.249 20 5 FGBDMO C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181505360 496423424 /nfs/dbraw/zinc/42/34/24/496423424.db2.gz GPXHMGLZDXTDDZ-DOTOQJQBSA-N 1 1 359.470 3.297 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c(C(F)(F)F)c1 ZINC000157260181 496440284 /nfs/dbraw/zinc/44/02/84/496440284.db2.gz QKLJAQSNSZULBV-UONOGXRCSA-N 1 1 362.373 3.320 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)c(C(F)(F)F)c1 ZINC000157260181 496440291 /nfs/dbraw/zinc/44/02/91/496440291.db2.gz QKLJAQSNSZULBV-UONOGXRCSA-N 1 1 362.373 3.320 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000178426605 496452896 /nfs/dbraw/zinc/45/28/96/496452896.db2.gz WBBURIJVJSJZNQ-GUYCJALGSA-N 1 1 374.441 3.084 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157454575 496480010 /nfs/dbraw/zinc/48/00/10/496480010.db2.gz FLHVRZIAXXKXIF-QGZVFWFLSA-N 1 1 374.485 3.182 20 5 FGBDMO C[C@@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181658338 496490501 /nfs/dbraw/zinc/49/05/01/496490501.db2.gz URLFMFZVKJLQOO-HZPDHXFCSA-N 1 1 374.485 3.166 20 5 FGBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000184700969 496499510 /nfs/dbraw/zinc/49/95/10/496499510.db2.gz JBEIRZOACLFRPP-PBHICJAKSA-N 1 1 358.442 3.121 20 5 FGBDMO CCCCNC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182003472 496630919 /nfs/dbraw/zinc/63/09/19/496630919.db2.gz JNZDZYZBTFFEON-UHFFFAOYSA-N 1 1 353.850 3.377 20 5 FGBDMO CCOc1ccc(C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000182076646 496661237 /nfs/dbraw/zinc/66/12/37/496661237.db2.gz TXHBZZWMYVZMIL-OAHLLOKOSA-N 1 1 371.437 3.244 20 5 FGBDMO Cc1c(Br)c(NCC[N@H+](C)C2CCCC2)ncc1[N+](=O)[O-] ZINC000165764670 496668385 /nfs/dbraw/zinc/66/83/85/496668385.db2.gz VXMNXPNNXNPJGY-UHFFFAOYSA-N 1 1 357.252 3.347 20 5 FGBDMO Cc1c(Br)c(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000165794696 496669018 /nfs/dbraw/zinc/66/90/18/496669018.db2.gz RIKPSRNUSHXDMA-WDEREUQCSA-N 1 1 355.236 3.099 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+](CCO)Cc2ccccc2)c1 ZINC000158344945 496680673 /nfs/dbraw/zinc/68/06/73/496680673.db2.gz GKICNVXDEAHUEA-UHFFFAOYSA-N 1 1 352.337 3.191 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+](CCO)Cc2ccccc2)c1 ZINC000158344945 496680683 /nfs/dbraw/zinc/68/06/83/496680683.db2.gz GKICNVXDEAHUEA-UHFFFAOYSA-N 1 1 352.337 3.191 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c(Cl)c1 ZINC000182154755 496690507 /nfs/dbraw/zinc/69/05/07/496690507.db2.gz CHBLKTKQXUBBOK-ZDUSSCGKSA-N 1 1 361.833 3.166 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c(Cl)c1 ZINC000182154755 496690512 /nfs/dbraw/zinc/69/05/12/496690512.db2.gz CHBLKTKQXUBBOK-ZDUSSCGKSA-N 1 1 361.833 3.166 20 5 FGBDMO CSc1cccc(C(=O)NCCCNc2ccc(C)c[nH+]2)c1[N+](=O)[O-] ZINC000188167945 496706618 /nfs/dbraw/zinc/70/66/18/496706618.db2.gz NZCXUMVKJYTNGT-UHFFFAOYSA-N 1 1 360.439 3.252 20 5 FGBDMO COc1ccc([C@@H](C)[N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000182203519 496707008 /nfs/dbraw/zinc/70/70/08/496707008.db2.gz SVNPNJKWJYHBQQ-ZBFHGGJFSA-N 1 1 360.410 3.036 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000247025333 496755322 /nfs/dbraw/zinc/75/53/22/496755322.db2.gz QSXMEEMTJVXXRC-SJLPKXTDSA-N 1 1 374.485 3.391 20 5 FGBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000247025310 496755877 /nfs/dbraw/zinc/75/58/77/496755877.db2.gz QSXMEEMTJVXXRC-FUHWJXTLSA-N 1 1 374.485 3.391 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CCC[N@H+](Cc3cscn3)CC2)c2ncccc12 ZINC000263899169 496758234 /nfs/dbraw/zinc/75/82/34/496758234.db2.gz YPYFNRMAZWSBFF-UHFFFAOYSA-N 1 1 369.450 3.312 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CCC[N@@H+](Cc3cscn3)CC2)c2ncccc12 ZINC000263899169 496758239 /nfs/dbraw/zinc/75/82/39/496758239.db2.gz YPYFNRMAZWSBFF-UHFFFAOYSA-N 1 1 369.450 3.312 20 5 FGBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC[C@H]21 ZINC000247114747 496782794 /nfs/dbraw/zinc/78/27/94/496782794.db2.gz QVKOACQLWIQMSO-IAQYHMDHSA-N 1 1 352.822 3.196 20 5 FGBDMO CCCn1ccnc1CCC[N@@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000191506270 496789157 /nfs/dbraw/zinc/78/91/57/496789157.db2.gz NSXFUPBSVUMFHI-UHFFFAOYSA-N 1 1 364.421 3.414 20 5 FGBDMO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000273484211 496819752 /nfs/dbraw/zinc/81/97/52/496819752.db2.gz RDKIWORMZMCPDT-SJKOYZFVSA-N 1 1 362.405 3.215 20 5 FGBDMO C[N@H+]1CCC[C@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000247300619 496829597 /nfs/dbraw/zinc/82/95/97/496829597.db2.gz GXDNFYAWJWHZII-BEFAXECRSA-N 1 1 373.478 3.398 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000247345425 496840877 /nfs/dbraw/zinc/84/08/77/496840877.db2.gz XTPWFLIDXDZFME-XIRDDKMYSA-N 1 1 360.458 3.090 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+](CCCO)Cc3ccccc3)o2)cc1 ZINC000269014271 496848625 /nfs/dbraw/zinc/84/86/25/496848625.db2.gz WEROFRZSLCOSAJ-UHFFFAOYSA-N 1 1 368.393 3.029 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+](CCCO)Cc3ccccc3)o2)cc1 ZINC000269014271 496848628 /nfs/dbraw/zinc/84/86/28/496848628.db2.gz WEROFRZSLCOSAJ-UHFFFAOYSA-N 1 1 368.393 3.029 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000248375506 496987125 /nfs/dbraw/zinc/98/71/25/496987125.db2.gz WXPWVQRBECMUAO-ZWKOTPCHSA-N 1 1 356.422 3.042 20 5 FGBDMO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000269704681 496992543 /nfs/dbraw/zinc/99/25/43/496992543.db2.gz QLEOTQDNTOWETR-ORAYPTAESA-N 1 1 368.437 3.165 20 5 FGBDMO CN(C(=O)C[N@H+](C)CC1(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000189291491 497071039 /nfs/dbraw/zinc/07/10/39/497071039.db2.gz ZLPHEPOJJZNGSG-UHFFFAOYSA-N 1 1 353.422 3.221 20 5 FGBDMO CN(C(=O)C[N@@H+](C)CC1(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000189291491 497071044 /nfs/dbraw/zinc/07/10/44/497071044.db2.gz ZLPHEPOJJZNGSG-UHFFFAOYSA-N 1 1 353.422 3.221 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000227387788 497088664 /nfs/dbraw/zinc/08/86/64/497088664.db2.gz NDNVMLGFIFPMKB-GOEBONIOSA-N 1 1 369.421 3.169 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000278461268 497123204 /nfs/dbraw/zinc/12/32/04/497123204.db2.gz HIUSSHQDFVRCNU-OCCSQVGLSA-N 1 1 351.834 3.113 20 5 FGBDMO COc1cccc([C@H]2[C@H](Nc3ncc([N+](=O)[O-])s3)CC[N@@H+]2C2CC2)c1 ZINC000192523945 497139357 /nfs/dbraw/zinc/13/93/57/497139357.db2.gz OLVAOHVQGBLCCB-ZBFHGGJFSA-N 1 1 360.439 3.450 20 5 FGBDMO COc1cccc([C@H]2[C@H](Nc3ncc([N+](=O)[O-])s3)CC[N@H+]2C2CC2)c1 ZINC000192523945 497139360 /nfs/dbraw/zinc/13/93/60/497139360.db2.gz OLVAOHVQGBLCCB-ZBFHGGJFSA-N 1 1 360.439 3.450 20 5 FGBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000278834013 497236821 /nfs/dbraw/zinc/23/68/21/497236821.db2.gz VJSLMVCQKUQTGR-UHFFFAOYSA-N 1 1 356.382 3.374 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000192945560 497254451 /nfs/dbraw/zinc/25/44/51/497254451.db2.gz HKLXVZMHPXZNCB-UHFFFAOYSA-N 1 1 353.422 3.251 20 5 FGBDMO COc1ccc(C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO)c(OC)c1 ZINC000255165807 497360695 /nfs/dbraw/zinc/36/06/95/497360695.db2.gz RPWLTYUPRDQYDN-ALCCZGGFSA-N 1 1 372.421 3.120 20 5 FGBDMO COc1ccc(C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO)c(OC)c1 ZINC000255165807 497360701 /nfs/dbraw/zinc/36/07/01/497360701.db2.gz RPWLTYUPRDQYDN-ALCCZGGFSA-N 1 1 372.421 3.120 20 5 FGBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000279250331 497382454 /nfs/dbraw/zinc/38/24/54/497382454.db2.gz IBMOGZOJBQRGIE-GFCCVEGCSA-N 1 1 371.840 3.024 20 5 FGBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)C[C@H]1CCCCO1 ZINC000266756165 497413288 /nfs/dbraw/zinc/41/32/88/497413288.db2.gz UOIIXDXCWVSQRK-WCQYABFASA-N 1 1 355.822 3.076 20 5 FGBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)C[C@H]1CCCCO1 ZINC000266756165 497413294 /nfs/dbraw/zinc/41/32/94/497413294.db2.gz UOIIXDXCWVSQRK-WCQYABFASA-N 1 1 355.822 3.076 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000245514350 497437673 /nfs/dbraw/zinc/43/76/73/497437673.db2.gz BSOWBSHKLIGASN-PKOBYXMFSA-N 1 1 360.502 3.066 20 5 FGBDMO O=C(Nc1ccccc1O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267014039 497469356 /nfs/dbraw/zinc/46/93/56/497469356.db2.gz NRUJKCKYBISBKC-UHFFFAOYSA-N 1 1 373.384 3.290 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000261916605 497476417 /nfs/dbraw/zinc/47/64/17/497476417.db2.gz IEHYVJAHKLBWOU-QGZVFWFLSA-N 1 1 359.813 3.343 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000261916604 497476481 /nfs/dbraw/zinc/47/64/81/497476481.db2.gz IEHYVJAHKLBWOU-KRWDZBQOSA-N 1 1 359.813 3.343 20 5 FGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000193782819 497480147 /nfs/dbraw/zinc/48/01/47/497480147.db2.gz YXJPBWFGPBVWOK-AWEZNQCLSA-N 1 1 373.432 3.431 20 5 FGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000193782819 497480149 /nfs/dbraw/zinc/48/01/49/497480149.db2.gz YXJPBWFGPBVWOK-AWEZNQCLSA-N 1 1 373.432 3.431 20 5 FGBDMO CC[N@H+](Cc1c[nH]c2ccccc12)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000190450295 497483710 /nfs/dbraw/zinc/48/37/10/497483710.db2.gz KUCLGFHVASAJRE-KRWDZBQOSA-N 1 1 369.421 3.338 20 5 FGBDMO Cc1cc(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2Cl)cc([N+](=O)[O-])c1 ZINC000261974911 497486537 /nfs/dbraw/zinc/48/65/37/497486537.db2.gz NODNHJPWLGPEKS-KRWDZBQOSA-N 1 1 359.813 3.343 20 5 FGBDMO CC[N@H+](Cc1c[nH]c2ccccc12)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000190497650 497505095 /nfs/dbraw/zinc/50/50/95/497505095.db2.gz ACFBENKBJCOKSF-INIZCTEOSA-N 1 1 369.421 3.338 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000245736754 497522383 /nfs/dbraw/zinc/52/23/83/497522383.db2.gz KZGSSUACMRZBGV-GUYCJALGSA-N 1 1 356.369 3.323 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000245736754 497522386 /nfs/dbraw/zinc/52/23/86/497522386.db2.gz KZGSSUACMRZBGV-GUYCJALGSA-N 1 1 356.369 3.323 20 5 FGBDMO CC[NH+]1CC[C@@H]([N@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245764070 497532293 /nfs/dbraw/zinc/53/22/93/497532293.db2.gz QIFVMJQFLGRGLD-HNAYVOBHSA-N 1 1 371.485 3.157 20 5 FGBDMO CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245764070 497532296 /nfs/dbraw/zinc/53/22/96/497532296.db2.gz QIFVMJQFLGRGLD-HNAYVOBHSA-N 1 1 371.485 3.157 20 5 FGBDMO CC[N@@H+]1CC[C@@H](N(C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245764070 497532300 /nfs/dbraw/zinc/53/23/00/497532300.db2.gz QIFVMJQFLGRGLD-HNAYVOBHSA-N 1 1 371.485 3.157 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245764070 497532306 /nfs/dbraw/zinc/53/23/06/497532306.db2.gz QIFVMJQFLGRGLD-HNAYVOBHSA-N 1 1 371.485 3.157 20 5 FGBDMO CCN1CC[C@@H]([N@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245764070 497532311 /nfs/dbraw/zinc/53/23/11/497532311.db2.gz QIFVMJQFLGRGLD-HNAYVOBHSA-N 1 1 371.485 3.157 20 5 FGBDMO CCN1CC[C@@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245764070 497532315 /nfs/dbraw/zinc/53/23/15/497532315.db2.gz QIFVMJQFLGRGLD-HNAYVOBHSA-N 1 1 371.485 3.157 20 5 FGBDMO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272386468 497615369 /nfs/dbraw/zinc/61/53/69/497615369.db2.gz WGEXXRHOQMZSCO-HIFRSBDPSA-N 1 1 359.451 3.297 20 5 FGBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000246129273 497631140 /nfs/dbraw/zinc/63/11/40/497631140.db2.gz QKTFNACYGSFYCM-CVEARBPZSA-N 1 1 374.485 3.389 20 5 FGBDMO COCC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccco1 ZINC000272450427 497631852 /nfs/dbraw/zinc/63/18/52/497631852.db2.gz MKRJGIXUWLFGIF-DZGCQCFKSA-N 1 1 361.398 3.191 20 5 FGBDMO C[C@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000246172438 497646876 /nfs/dbraw/zinc/64/68/76/497646876.db2.gz ZTKNUQFCFNHYNF-HZPDHXFCSA-N 1 1 374.485 3.389 20 5 FGBDMO COc1cc(C[NH2+]Cc2ncccc2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272534202 497654163 /nfs/dbraw/zinc/65/41/63/497654163.db2.gz ZWWLICHKGFWMRX-UHFFFAOYSA-N 1 1 367.352 3.241 20 5 FGBDMO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000569379347 505920823 /nfs/dbraw/zinc/92/08/23/505920823.db2.gz ZKBLQPHIGHMPTL-INIZCTEOSA-N 1 1 355.394 3.207 20 5 FGBDMO COc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000569379347 505920826 /nfs/dbraw/zinc/92/08/26/505920826.db2.gz ZKBLQPHIGHMPTL-INIZCTEOSA-N 1 1 355.394 3.207 20 5 FGBDMO Cc1cccc(N2CCC(NC(=O)c3c(C)cccc3[N+](=O)[O-])CC2)[nH+]1 ZINC000194721863 497749794 /nfs/dbraw/zinc/74/97/94/497749794.db2.gz VRAYEQYFINVZGP-UHFFFAOYSA-N 1 1 354.410 3.005 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCCC[C@@H](SC)C1 ZINC000246500665 497754470 /nfs/dbraw/zinc/75/44/70/497754470.db2.gz HRHNSLDGUIEGII-TZMCWYRMSA-N 1 1 367.471 3.148 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCCC[C@@H](SC)C1 ZINC000246500665 497754474 /nfs/dbraw/zinc/75/44/74/497754474.db2.gz HRHNSLDGUIEGII-TZMCWYRMSA-N 1 1 367.471 3.148 20 5 FGBDMO Cc1ccc(N2CCC(NC(=O)c3c(C)cccc3[N+](=O)[O-])CC2)[nH+]c1 ZINC000194750275 497758455 /nfs/dbraw/zinc/75/84/55/497758455.db2.gz NDIBXXLFEYXFRH-UHFFFAOYSA-N 1 1 354.410 3.005 20 5 FGBDMO Cc1c(C(=O)Nc2nc3c(s2)C[N@H+](C(C)C)CC3)cccc1[N+](=O)[O-] ZINC000273048234 497791061 /nfs/dbraw/zinc/79/10/61/497791061.db2.gz QKLIRLJQNOMIFE-UHFFFAOYSA-N 1 1 360.439 3.379 20 5 FGBDMO Cc1c(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)C)CC3)cccc1[N+](=O)[O-] ZINC000273048234 497791065 /nfs/dbraw/zinc/79/10/65/497791065.db2.gz QKLIRLJQNOMIFE-UHFFFAOYSA-N 1 1 360.439 3.379 20 5 FGBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCC[C@@H]2CCCc2ccccc2)c1 ZINC000246907239 497819693 /nfs/dbraw/zinc/81/96/93/497819693.db2.gz XWEQITXAGQAWPZ-UYAOXDASSA-N 1 1 372.469 3.030 20 5 FGBDMO CC1(C)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1c1cccnc1 ZINC000292007334 497836243 /nfs/dbraw/zinc/83/62/43/497836243.db2.gz YHEVGYSPUSYRSO-SFHVURJKSA-N 1 1 354.410 3.402 20 5 FGBDMO CC1(C)C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1c1cccnc1 ZINC000292007334 497836250 /nfs/dbraw/zinc/83/62/50/497836250.db2.gz YHEVGYSPUSYRSO-SFHVURJKSA-N 1 1 354.410 3.402 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000292074929 497867015 /nfs/dbraw/zinc/86/70/15/497867015.db2.gz CUSJEWNOWGJUDK-HNNXBMFYSA-N 1 1 374.485 3.038 20 5 FGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000301118021 497960366 /nfs/dbraw/zinc/96/03/66/497960366.db2.gz LNRSIYDHECJTMT-GASCZTMLSA-N 1 1 366.893 3.243 20 5 FGBDMO CCO[C@H]1C[C@@H]([NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C12CCC2 ZINC000296289389 497986375 /nfs/dbraw/zinc/98/63/75/497986375.db2.gz PAKXAYCKTNPNCP-CABCVRRESA-N 1 1 358.398 3.082 20 5 FGBDMO CN1C(=O)CCc2cc(C[N@@H+](C)CCc3ccccc3[N+](=O)[O-])ccc21 ZINC000285199621 498019688 /nfs/dbraw/zinc/01/96/88/498019688.db2.gz CWNJVDIXKKYTCW-UHFFFAOYSA-N 1 1 353.422 3.178 20 5 FGBDMO O=[N+]([O-])c1cnc(Nc2ccc(CC[NH+]3CCOCC3)cc2)c(Cl)c1 ZINC000301249120 498020114 /nfs/dbraw/zinc/02/01/14/498020114.db2.gz AGWINKJAERYJKJ-UHFFFAOYSA-N 1 1 362.817 3.262 20 5 FGBDMO Cc1nc(C[NH+]2CCC(CNc3ncc([N+](=O)[O-])cc3C)CC2)cs1 ZINC000301268624 498029322 /nfs/dbraw/zinc/02/93/22/498029322.db2.gz QKHAXVMBYUUFQB-UHFFFAOYSA-N 1 1 361.471 3.387 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(-c3ccccc3C[NH+]3CCOCC3)n2)s1 ZINC000289153957 498036647 /nfs/dbraw/zinc/03/66/47/498036647.db2.gz TYLSONFRXQYBGF-UHFFFAOYSA-N 1 1 372.406 3.206 20 5 FGBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000581390357 505977150 /nfs/dbraw/zinc/97/71/50/505977150.db2.gz MDAFVYOTMQCVPP-OAHLLOKOSA-N 1 1 364.446 3.380 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1c1ccnn1C ZINC000281306280 498098383 /nfs/dbraw/zinc/09/83/83/498098383.db2.gz HUIPDFFVPJCDRT-GOSISDBHSA-N 1 1 371.441 3.193 20 5 FGBDMO COCCOC[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000292668407 498101455 /nfs/dbraw/zinc/10/14/55/498101455.db2.gz AVYNPJJTBXTFKJ-GFCCVEGCSA-N 1 1 362.348 3.099 20 5 FGBDMO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)c(Br)c1 ZINC000301541121 498155302 /nfs/dbraw/zinc/15/53/02/498155302.db2.gz OAEAUPBFLFANGG-LBPRGKRZSA-N 1 1 369.263 3.429 20 5 FGBDMO CC[NH+]1CCN(C(=O)Cc2ccc(Nc3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000301563054 498164192 /nfs/dbraw/zinc/16/41/92/498164192.db2.gz VGTYNFZMPWBOHG-UHFFFAOYSA-N 1 1 368.437 3.045 20 5 FGBDMO C[C@@H]1C[N@H+](CCCCNc2ccc3cc([N+](=O)[O-])ccc3n2)C[C@H](C)O1 ZINC000301743159 498248404 /nfs/dbraw/zinc/24/84/04/498248404.db2.gz ZAQXFZJWNRDOQX-GASCZTMLSA-N 1 1 358.442 3.444 20 5 FGBDMO CC(C)(CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)[NH+]1CCOCC1 ZINC000301892526 498314690 /nfs/dbraw/zinc/31/46/90/498314690.db2.gz VSGGUDMKBNPBSX-UHFFFAOYSA-N 1 1 356.426 3.180 20 5 FGBDMO CCc1nn(C)c(NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000301932270 498333944 /nfs/dbraw/zinc/33/39/44/498333944.db2.gz MIOFUXCENGQQMS-IUODEOHRSA-N 1 1 363.487 3.447 20 5 FGBDMO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@H](O)Cc1ccccc1 ZINC000293389238 498368422 /nfs/dbraw/zinc/36/84/22/498368422.db2.gz QGZXLFJEPPJXLL-LJQANCHMSA-N 1 1 367.405 3.285 20 5 FGBDMO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@H](O)Cc1ccccc1 ZINC000293389238 498368429 /nfs/dbraw/zinc/36/84/29/498368429.db2.gz QGZXLFJEPPJXLL-LJQANCHMSA-N 1 1 367.405 3.285 20 5 FGBDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1ccccc1[N+](=O)[O-] ZINC000361597739 498410715 /nfs/dbraw/zinc/41/07/15/498410715.db2.gz SJJKJQLDPOYMST-FUHWJXTLSA-N 1 1 351.406 3.351 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]C[C@H](CO)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000293737929 498472798 /nfs/dbraw/zinc/47/27/98/498472798.db2.gz PAFJDXUJOWVLCP-MJGOQNOKSA-N 1 1 372.469 3.196 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]C[C@@H](CO)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000293737922 498473104 /nfs/dbraw/zinc/47/31/04/498473104.db2.gz PAFJDXUJOWVLCP-HKUYNNGSSA-N 1 1 372.469 3.196 20 5 FGBDMO C[C@@H]1CCC[N@H+]1C1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000365542808 498522913 /nfs/dbraw/zinc/52/29/13/498522913.db2.gz BIZJYWDDJIIDJT-LLVKDONJSA-N 1 1 358.364 3.462 20 5 FGBDMO C[C@@H](c1nc([C@@H]2C[N@@H+]3CCC[C@]3(C)CO2)no1)c1cccc([N+](=O)[O-])c1 ZINC000575977488 506048130 /nfs/dbraw/zinc/04/81/30/506048130.db2.gz HCFDULJYGGQMLP-HNJNHCNJSA-N 1 1 358.398 3.055 20 5 FGBDMO C[C@@H](c1nc([C@@H]2C[N@H+]3CCC[C@]3(C)CO2)no1)c1cccc([N+](=O)[O-])c1 ZINC000575977488 506048134 /nfs/dbraw/zinc/04/81/34/506048134.db2.gz HCFDULJYGGQMLP-HNJNHCNJSA-N 1 1 358.398 3.055 20 5 FGBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000302797483 498579134 /nfs/dbraw/zinc/57/91/34/498579134.db2.gz APKVRRRDWXAJPK-INIZCTEOSA-N 1 1 354.882 3.241 20 5 FGBDMO C[C@@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)[N@H+]1CCc2sccc2C1 ZINC000302823131 498589511 /nfs/dbraw/zinc/58/95/11/498589511.db2.gz FMXCLKBDZJZUNW-LBPRGKRZSA-N 1 1 358.467 3.483 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](n3cc4ccccc4n3)C2)c([N+](=O)[O-])c1 ZINC000365799229 498646134 /nfs/dbraw/zinc/64/61/34/498646134.db2.gz WSHUBAOXRNEPRL-MRXNPFEDSA-N 1 1 367.365 3.300 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](n3cc4ccccc4n3)C2)c([N+](=O)[O-])c1 ZINC000365799229 498646139 /nfs/dbraw/zinc/64/61/39/498646139.db2.gz WSHUBAOXRNEPRL-MRXNPFEDSA-N 1 1 367.365 3.300 20 5 FGBDMO CC(C)c1nccn1C[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000365810244 498649947 /nfs/dbraw/zinc/64/99/47/498649947.db2.gz ABDRLJYDIIGHFR-INIZCTEOSA-N 1 1 373.413 3.488 20 5 FGBDMO CC(C)c1nccn1C[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000365810244 498649951 /nfs/dbraw/zinc/64/99/51/498649951.db2.gz ABDRLJYDIIGHFR-INIZCTEOSA-N 1 1 373.413 3.488 20 5 FGBDMO C[N@H+]1CC[C@@H](CNCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000365819630 498653560 /nfs/dbraw/zinc/65/35/60/498653560.db2.gz JTTAVFJSGBCWEK-QFBILLFUSA-N 1 1 370.409 3.286 20 5 FGBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)C1 ZINC000581848276 506073283 /nfs/dbraw/zinc/07/32/83/506073283.db2.gz SLOGDPZFLUKLTC-BETUJISGSA-N 1 1 374.466 3.273 20 5 FGBDMO C[N@H+](Cc1ccc(Cl)cc1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000303388956 498670167 /nfs/dbraw/zinc/67/01/67/498670167.db2.gz NBERIWOKHCAMFD-QGZVFWFLSA-N 1 1 359.813 3.486 20 5 FGBDMO C[N@@H+](Cc1ccc(Cl)cc1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000303388956 498670174 /nfs/dbraw/zinc/67/01/74/498670174.db2.gz NBERIWOKHCAMFD-QGZVFWFLSA-N 1 1 359.813 3.486 20 5 FGBDMO C[C@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000303541606 498690450 /nfs/dbraw/zinc/69/04/50/498690450.db2.gz YPDANBXNDJRTLE-MRXNPFEDSA-N 1 1 370.453 3.034 20 5 FGBDMO C[C@@H]1CCCN(c2ccc(C(=O)N[C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2[N+](=O)[O-])C1 ZINC000332563668 498727338 /nfs/dbraw/zinc/72/73/38/498727338.db2.gz WHMISLWHCOVDOG-BFYDXBDKSA-N 1 1 374.485 3.044 20 5 FGBDMO C[C@H]1[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000311826405 498754804 /nfs/dbraw/zinc/75/48/04/498754804.db2.gz RHKYNAQZRWHHSO-SUMWQHHRSA-N 1 1 357.385 3.127 20 5 FGBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000291062677 498778479 /nfs/dbraw/zinc/77/84/79/498778479.db2.gz WMTZAEJUIOQUGI-GFCCVEGCSA-N 1 1 369.487 3.176 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCCO[C@H]4CCC[C@@H]43)o2)c1 ZINC000363410421 498806121 /nfs/dbraw/zinc/80/61/21/498806121.db2.gz DVYSADWIWJZMLB-IRXDYDNUSA-N 1 1 357.410 3.436 20 5 FGBDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283203774 498816913 /nfs/dbraw/zinc/81/69/13/498816913.db2.gz RMZCBXVRBYLLET-GXTWGEPZSA-N 1 1 367.421 3.469 20 5 FGBDMO O=C(c1cccc([N+](=O)[O-])c1F)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000323603859 498820785 /nfs/dbraw/zinc/82/07/85/498820785.db2.gz JJIRZYMUYCQMDR-UHFFFAOYSA-N 1 1 357.385 3.082 20 5 FGBDMO CC(C)[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1nc(C2CC2)no1 ZINC000299108675 498966564 /nfs/dbraw/zinc/96/65/64/498966564.db2.gz VEKJJIBXWWFXAY-MRXNPFEDSA-N 1 1 373.413 3.171 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2F)[C@@H](C)C1 ZINC000284058263 499040411 /nfs/dbraw/zinc/04/04/11/499040411.db2.gz QESYZRHWJQIWDB-SWLSCSKDSA-N 1 1 352.410 3.236 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000363961724 499067916 /nfs/dbraw/zinc/06/79/16/499067916.db2.gz JBZFNIVKGQMXJM-SJLPKXTDSA-N 1 1 358.442 3.197 20 5 FGBDMO Cc1ccc([C@@H](C)[NH2+]Cc2cnnn2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000291854332 499085933 /nfs/dbraw/zinc/08/59/33/499085933.db2.gz DQWJDXIYWIHBRK-OAHLLOKOSA-N 1 1 351.410 3.394 20 5 FGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@H](Cc2nnc3ccccn32)C1 ZINC000364130981 499121320 /nfs/dbraw/zinc/12/13/20/499121320.db2.gz YKIKXTXEDKDLGS-CQSZACIVSA-N 1 1 369.400 3.231 20 5 FGBDMO CCN1CCC([N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C2CC2)CC1 ZINC000367108848 499150072 /nfs/dbraw/zinc/15/00/72/499150072.db2.gz GRWXOFKEPZNBCT-UHFFFAOYSA-N 1 1 374.485 3.181 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000372898570 499191544 /nfs/dbraw/zinc/19/15/44/499191544.db2.gz VVXFVWNVFZEWOE-YJBOKZPZSA-N 1 1 369.425 3.113 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000370697816 499245275 /nfs/dbraw/zinc/24/52/75/499245275.db2.gz AEZKEKRSLYPWFH-LBPRGKRZSA-N 1 1 361.471 3.043 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000370697816 499245276 /nfs/dbraw/zinc/24/52/76/499245276.db2.gz AEZKEKRSLYPWFH-LBPRGKRZSA-N 1 1 361.471 3.043 20 5 FGBDMO CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000370704940 499246256 /nfs/dbraw/zinc/24/62/56/499246256.db2.gz CKKICVVKJIEWDR-KSSFIOAISA-N 1 1 371.397 3.027 20 5 FGBDMO C[C@@H]1[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCC12CCOCC2 ZINC000368217997 499275064 /nfs/dbraw/zinc/27/50/64/499275064.db2.gz CHSCMQYNAQYYJI-ZDUSSCGKSA-N 1 1 358.398 3.036 20 5 FGBDMO COc1cc2c(cc1OC)[C@H](C)[N@H+](Cc1c([N+](=O)[O-])ncn1C)C[C@H](C)C2 ZINC000371359843 499314953 /nfs/dbraw/zinc/31/49/53/499314953.db2.gz MFRQECUWCHLGCX-OLZOCXBDSA-N 1 1 374.441 3.101 20 5 FGBDMO COc1cc2c(cc1OC)[C@H](C)[N@@H+](Cc1c([N+](=O)[O-])ncn1C)C[C@H](C)C2 ZINC000371359843 499314954 /nfs/dbraw/zinc/31/49/54/499314954.db2.gz MFRQECUWCHLGCX-OLZOCXBDSA-N 1 1 374.441 3.101 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000371447352 499327564 /nfs/dbraw/zinc/32/75/64/499327564.db2.gz KTSOBDUKMSGVQY-OWCLPIDISA-N 1 1 361.442 3.060 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000371447352 499327566 /nfs/dbraw/zinc/32/75/66/499327566.db2.gz KTSOBDUKMSGVQY-OWCLPIDISA-N 1 1 361.442 3.060 20 5 FGBDMO CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000368807378 499334797 /nfs/dbraw/zinc/33/47/97/499334797.db2.gz RWYPOZQGFCIXGU-YJBOKZPZSA-N 1 1 369.425 3.147 20 5 FGBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000371708758 499357688 /nfs/dbraw/zinc/35/76/88/499357688.db2.gz SYTDJFVPZYPOFU-QWHCGFSZSA-N 1 1 369.874 3.083 20 5 FGBDMO COCC[C@H]1CCCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000372097305 499399135 /nfs/dbraw/zinc/39/91/35/499399135.db2.gz YLJLRZGEQMXUNU-CQSZACIVSA-N 1 1 360.414 3.283 20 5 FGBDMO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000576386274 506145685 /nfs/dbraw/zinc/14/56/85/506145685.db2.gz ISPNCMTZICLFFY-QAPCUYQASA-N 1 1 371.437 3.150 20 5 FGBDMO Cc1nc2c(s1)CCC[C@H]2C[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000369547803 499415655 /nfs/dbraw/zinc/41/56/55/499415655.db2.gz CVHMNHCZUBWDNV-AWEZNQCLSA-N 1 1 374.466 3.011 20 5 FGBDMO C[N@H+]1CC[C@@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000369565133 499418350 /nfs/dbraw/zinc/41/83/50/499418350.db2.gz UGVXRSSTDNTANV-MEDUHNTESA-N 1 1 363.414 3.218 20 5 FGBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)n1 ZINC000369670567 499434856 /nfs/dbraw/zinc/43/48/56/499434856.db2.gz ODFYZMDASOLNDI-UHFFFAOYSA-N 1 1 365.777 3.190 20 5 FGBDMO C[N@H+]1CC[C@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H]1c1cccs1 ZINC000369672728 499434947 /nfs/dbraw/zinc/43/49/47/499434947.db2.gz SDHIKVCRHSSRCO-RDTXWAMCSA-N 1 1 359.451 3.008 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000373771221 499487290 /nfs/dbraw/zinc/48/72/90/499487290.db2.gz LWTVBIMGMLJAGD-OAHLLOKOSA-N 1 1 367.409 3.026 20 5 FGBDMO C[C@H]1[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCC12CCOCC2 ZINC000375242228 499498603 /nfs/dbraw/zinc/49/86/03/499498603.db2.gz NIRRNHQLQLEVHC-CYBMUJFWSA-N 1 1 358.398 3.036 20 5 FGBDMO CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000378448093 499518069 /nfs/dbraw/zinc/51/80/69/499518069.db2.gz CUOYIKDGEAGVGZ-CQSZACIVSA-N 1 1 357.414 3.359 20 5 FGBDMO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398121574 499566779 /nfs/dbraw/zinc/56/67/79/499566779.db2.gz HFOYKSPFXFIFKF-PBHICJAKSA-N 1 1 357.458 3.442 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000375980997 499573583 /nfs/dbraw/zinc/57/35/83/499573583.db2.gz NPLIFQGMACAVFL-YJBOKZPZSA-N 1 1 369.425 3.113 20 5 FGBDMO Cc1ccc(NC(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000375982412 499573761 /nfs/dbraw/zinc/57/37/61/499573761.db2.gz YQAVAGIMCFUWFN-YJBOKZPZSA-N 1 1 369.425 3.113 20 5 FGBDMO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000408276801 499582893 /nfs/dbraw/zinc/58/28/93/499582893.db2.gz LKLYRRAZCDLSFC-PXAZEXFGSA-N 1 1 362.405 3.215 20 5 FGBDMO CC(C)Oc1cc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000411144628 499702523 /nfs/dbraw/zinc/70/25/23/499702523.db2.gz AFEMAAIQGKTMHP-OAHLLOKOSA-N 1 1 361.398 3.008 20 5 FGBDMO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000411522916 499751174 /nfs/dbraw/zinc/75/11/74/499751174.db2.gz GLLOGJMJGXOPNW-KSSFIOAISA-N 1 1 354.410 3.402 20 5 FGBDMO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000412131887 499826338 /nfs/dbraw/zinc/82/63/38/499826338.db2.gz WDVTZGRRIOMHQS-RBUKOAKNSA-N 1 1 357.454 3.175 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000412224930 499835780 /nfs/dbraw/zinc/83/57/80/499835780.db2.gz VZODHWXKJKWYCW-MTQWCTHYSA-N 1 1 365.433 3.260 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000412224931 499835826 /nfs/dbraw/zinc/83/58/26/499835826.db2.gz VZODHWXKJKWYCW-NMLBUPMWSA-N 1 1 365.433 3.260 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000412698318 499877029 /nfs/dbraw/zinc/87/70/29/499877029.db2.gz NEYAJLCWJNKUAJ-MRXNPFEDSA-N 1 1 353.422 3.250 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000412698318 499877031 /nfs/dbraw/zinc/87/70/31/499877031.db2.gz NEYAJLCWJNKUAJ-MRXNPFEDSA-N 1 1 353.422 3.250 20 5 FGBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@@H](C)C1 ZINC000413306603 499939707 /nfs/dbraw/zinc/93/97/07/499939707.db2.gz WBMQXHTYMYUREA-MISXGVKJSA-N 1 1 358.364 3.175 20 5 FGBDMO C[C@]12CCC[N@H+]1C[C@@H](c1noc(-c3cc(Cl)cc([N+](=O)[O-])c3)n1)OC2 ZINC000570436010 506166929 /nfs/dbraw/zinc/16/69/29/506166929.db2.gz WOVBOOHCANYDFI-XJKSGUPXSA-N 1 1 364.789 3.224 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)C[C@@H]1C ZINC000413501584 499973229 /nfs/dbraw/zinc/97/32/29/499973229.db2.gz PKRXLVITZPSLFE-GOEBONIOSA-N 1 1 363.458 3.327 20 5 FGBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H](C)C1 ZINC000429007577 499979976 /nfs/dbraw/zinc/97/99/76/499979976.db2.gz VSXURWFDGLIMGI-VCBZYWHSSA-N 1 1 370.453 3.412 20 5 FGBDMO CC(C)([NH2+]CC(=O)N1CCCc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000429259074 500036152 /nfs/dbraw/zinc/03/61/52/500036152.db2.gz WQUVZNOYJMPFFN-UHFFFAOYSA-N 1 1 353.422 3.399 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@H](c4nnc[nH]4)C3)s2)cc1 ZINC000425360954 500085638 /nfs/dbraw/zinc/08/56/38/500085638.db2.gz WQOREXIGFPOBSZ-ZDUSSCGKSA-N 1 1 355.423 3.431 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c2c(c1)COCO2 ZINC000425366618 500086567 /nfs/dbraw/zinc/08/65/67/500086567.db2.gz AHHJFDUZMKHGST-LJQANCHMSA-N 1 1 374.437 3.242 20 5 FGBDMO C[N@@H+](CCc1ccccn1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425423302 500101484 /nfs/dbraw/zinc/10/14/84/500101484.db2.gz QJUHXOQZWZIYCJ-UHFFFAOYSA-N 1 1 350.216 3.427 20 5 FGBDMO C[C@H]1CC[C@@](CO)([N@@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425432354 500104567 /nfs/dbraw/zinc/10/45/67/500104567.db2.gz IAWVYFPPCYJCAT-XHDPSFHLSA-N 1 1 357.248 3.340 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000430206756 500208653 /nfs/dbraw/zinc/20/86/53/500208653.db2.gz PFQIAICOIKZEDM-IBGZPJMESA-N 1 1 356.422 3.377 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000430211336 500210197 /nfs/dbraw/zinc/21/01/97/500210197.db2.gz IFMCLEXATVJXSV-JKSUJKDBSA-N 1 1 352.456 3.090 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000427843879 500439987 /nfs/dbraw/zinc/43/99/87/500439987.db2.gz UTHYDCZUOFIMCR-UHFFFAOYSA-N 1 1 371.437 3.374 20 5 FGBDMO Cn1cc[nH+]c1N1CCC(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000427980735 500454318 /nfs/dbraw/zinc/45/43/18/500454318.db2.gz CINYFPCPYBEOKW-UHFFFAOYSA-N 1 1 369.347 3.428 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1F ZINC000427983494 500454903 /nfs/dbraw/zinc/45/49/03/500454903.db2.gz JIEJZODYCGGPJO-UHFFFAOYSA-N 1 1 366.356 3.138 20 5 FGBDMO C[C@H]1C[N@@H+](CCCNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCCO1 ZINC000432346286 500502011 /nfs/dbraw/zinc/50/20/11/500502011.db2.gz KQJULGPRCNMQNK-INIZCTEOSA-N 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ZINC000437871787 500710126 /nfs/dbraw/zinc/71/01/26/500710126.db2.gz YAIHJWZCNQCGCZ-HNNXBMFYSA-N 1 1 361.442 3.130 20 5 FGBDMO O=C(c1cc(NC[C@@H]2CCCC[N@H+]2C2CC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000433806650 500747615 /nfs/dbraw/zinc/74/76/15/500747615.db2.gz WWLRJSDTJXQQHB-KRWDZBQOSA-N 1 1 372.469 3.260 20 5 FGBDMO CC[N@@H+]1C[C@H](C)N(C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C[C@@H]1C ZINC000448342489 500749798 /nfs/dbraw/zinc/74/97/98/500749798.db2.gz QTOXTOBJCKBHQI-QWRGUYRKSA-N 1 1 359.348 3.168 20 5 FGBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C[C@@H]1C ZINC000448342489 500749800 /nfs/dbraw/zinc/74/98/00/500749800.db2.gz QTOXTOBJCKBHQI-QWRGUYRKSA-N 1 1 359.348 3.168 20 5 FGBDMO CC1(C)CCC[N@@H+](CCNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000443963289 500784150 /nfs/dbraw/zinc/78/41/50/500784150.db2.gz UBFXUJPIIMKPDN-UHFFFAOYSA-N 1 1 360.458 3.021 20 5 FGBDMO C[C@@H](CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000448705242 500809916 /nfs/dbraw/zinc/80/99/16/500809916.db2.gz SHEBKEVRLKNQCY-NEPJUHHUSA-N 1 1 373.375 3.464 20 5 FGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444664140 500874983 /nfs/dbraw/zinc/87/49/83/500874983.db2.gz MWLMVPVNQWONRF-IJEWVQPXSA-N 1 1 357.458 3.308 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCCOCc1ccccc1 ZINC000439471567 500900954 /nfs/dbraw/zinc/90/09/54/500900954.db2.gz REEXJOWFUSJKTC-UHFFFAOYSA-N 1 1 371.437 3.380 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCCOCc1ccccc1 ZINC000439471567 500900956 /nfs/dbraw/zinc/90/09/56/500900956.db2.gz REEXJOWFUSJKTC-UHFFFAOYSA-N 1 1 371.437 3.380 20 5 FGBDMO CC(C)[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@H](O)COc1ccccc1 ZINC000444801720 500904149 /nfs/dbraw/zinc/90/41/49/500904149.db2.gz LWPFWJIJHRNUOI-HNNXBMFYSA-N 1 1 362.401 3.384 20 5 FGBDMO CC(C)[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@H](O)COc1ccccc1 ZINC000444801720 500904152 /nfs/dbraw/zinc/90/41/52/500904152.db2.gz LWPFWJIJHRNUOI-HNNXBMFYSA-N 1 1 362.401 3.384 20 5 FGBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@H]1CCN2CCO[C@H]1C2 ZINC000449360170 500986531 /nfs/dbraw/zinc/98/65/31/500986531.db2.gz HHQCVZPIKSFGKJ-ROUUACIJSA-N 1 1 373.478 3.228 20 5 FGBDMO CC[C@H](CO)[N@@H+](C)Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000449375229 500989608 /nfs/dbraw/zinc/98/96/08/500989608.db2.gz FQDPOFCIRXRXAC-QGZVFWFLSA-N 1 1 374.437 3.385 20 5 FGBDMO CC[C@@H](CO)[N@@H+](C)Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000449375228 500989790 /nfs/dbraw/zinc/98/97/90/500989790.db2.gz FQDPOFCIRXRXAC-KRWDZBQOSA-N 1 1 374.437 3.385 20 5 FGBDMO C[NH+](C)Cc1cnc(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000449496231 501017832 /nfs/dbraw/zinc/01/78/32/501017832.db2.gz GFUGVYRJKKTJHD-OAHLLOKOSA-N 1 1 360.483 3.493 20 5 FGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@](C)(NCC(=O)OC(C)(C)C)C1 ZINC000440522591 501018752 /nfs/dbraw/zinc/01/87/52/501018752.db2.gz OQUNLHMTAGXWKY-AUUYWEPGSA-N 1 1 363.458 3.052 20 5 FGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@](C)(NCC(=O)OC(C)(C)C)C1 ZINC000440522591 501018754 /nfs/dbraw/zinc/01/87/54/501018754.db2.gz OQUNLHMTAGXWKY-AUUYWEPGSA-N 1 1 363.458 3.052 20 5 FGBDMO COc1cc(C[N@H+](C)[C@@H]2C[C@@H](OC)C23CCC3)c([N+](=O)[O-])cc1OC ZINC000449629886 501046208 /nfs/dbraw/zinc/04/62/08/501046208.db2.gz GUSBOXNMXSSADN-IAGOWNOFSA-N 1 1 350.415 3.001 20 5 FGBDMO COCC1(C[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000449743018 501073250 /nfs/dbraw/zinc/07/32/50/501073250.db2.gz UAPIUGXZTDMVAA-KRWDZBQOSA-N 1 1 358.442 3.214 20 5 FGBDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1c1ccccc1 ZINC000449754988 501076312 /nfs/dbraw/zinc/07/63/12/501076312.db2.gz LJUHACIZUWBQEI-DLBZAZTESA-N 1 1 358.369 3.123 20 5 FGBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@H](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000436137085 501076509 /nfs/dbraw/zinc/07/65/09/501076509.db2.gz XPAZBFFXERVEQK-MRXNPFEDSA-N 1 1 353.422 3.148 20 5 FGBDMO CCc1[nH+]ccn1[C@H](C)CC(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000592769056 506234732 /nfs/dbraw/zinc/23/47/32/506234732.db2.gz HMTQJGWKSGZJSP-OAHLLOKOSA-N 1 1 373.457 3.232 20 5 FGBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000450523171 501143781 /nfs/dbraw/zinc/14/37/81/501143781.db2.gz DNRKEGNVLKMVDX-PBWFPOADSA-N 1 1 356.426 3.213 20 5 FGBDMO Cc1cc(CNc2nccc3cc([N+](=O)[O-])ccc32)cc(N2CCCC2)[nH+]1 ZINC000450530270 501146753 /nfs/dbraw/zinc/14/67/53/501146753.db2.gz CNBYWSRXIPVHTJ-UHFFFAOYSA-N 1 1 363.421 3.481 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CC/C=C\c2ccccc2)CC1 ZINC000450573135 501157957 /nfs/dbraw/zinc/15/79/57/501157957.db2.gz WLTFDZOZEFEHEB-YWEYNIOJSA-N 1 1 365.433 3.456 20 5 FGBDMO C[C@H]1Cc2[nH+]cn(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)c2C[C@@H]1C ZINC000451004300 501238426 /nfs/dbraw/zinc/23/84/26/501238426.db2.gz WNBFDMVYLDHLGI-RYUDHWBXSA-N 1 1 353.382 3.260 20 5 FGBDMO COc1c(C)c[nH+]c(CN(C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c1C ZINC000451373932 501278096 /nfs/dbraw/zinc/27/80/96/501278096.db2.gz JQOUIZRTIWDULM-AWEZNQCLSA-N 1 1 372.425 3.074 20 5 FGBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC000451374585 501278148 /nfs/dbraw/zinc/27/81/48/501278148.db2.gz TXLYDUDTWDKOMA-URYASSDKSA-N 1 1 371.437 3.076 20 5 FGBDMO CN(Cc1cccs1)C(=O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451576113 501329243 /nfs/dbraw/zinc/32/92/43/501329243.db2.gz UBUZLPRCFHFFJQ-MRXNPFEDSA-N 1 1 373.478 3.494 20 5 FGBDMO CN(Cc1cccs1)C(=O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451576113 501329245 /nfs/dbraw/zinc/32/92/45/501329245.db2.gz UBUZLPRCFHFFJQ-MRXNPFEDSA-N 1 1 373.478 3.494 20 5 FGBDMO CC[C@@H]1C[N@@H+](CC)CCN1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000451724650 501360657 /nfs/dbraw/zinc/36/06/57/501360657.db2.gz IBDCJKMTXUMOBN-CYBMUJFWSA-N 1 1 373.400 3.121 20 5 FGBDMO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456306133 501493168 /nfs/dbraw/zinc/49/31/68/501493168.db2.gz MNTVZGBIQYZZRJ-KRWDZBQOSA-N 1 1 367.449 3.118 20 5 FGBDMO C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456310979 501494783 /nfs/dbraw/zinc/49/47/83/501494783.db2.gz RFSDUYNTSVFMTH-MRXNPFEDSA-N 1 1 353.422 3.189 20 5 FGBDMO NC(=O)c1cc(NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)ccc1[N+](=O)[O-] ZINC000596101012 506259199 /nfs/dbraw/zinc/25/91/99/506259199.db2.gz HFOFHXPQJYWJMD-ZDUSSCGKSA-N 1 1 374.466 3.079 20 5 FGBDMO CC(C)(C)OC(=O)[C@]1(C)CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000459594494 501683514 /nfs/dbraw/zinc/68/35/14/501683514.db2.gz WJZMCXMTKDJGHM-GOSISDBHSA-N 1 1 350.415 3.027 20 5 FGBDMO Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000598999093 506270933 /nfs/dbraw/zinc/27/09/33/506270933.db2.gz DWLVBBKNQZFADQ-PBHICJAKSA-N 1 1 360.458 3.280 20 5 FGBDMO CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460291911 501782405 /nfs/dbraw/zinc/78/24/05/501782405.db2.gz VQPNRZCMTKMHHQ-PBHICJAKSA-N 1 1 372.473 3.040 20 5 FGBDMO CC(C)[N@H+]1CC[C@H](Nc2c([N+](=O)[O-])ncn2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000485304696 501783930 /nfs/dbraw/zinc/78/39/30/501783930.db2.gz RCAJMSSWJXDVKG-GJZGRUSLSA-N 1 1 365.384 3.242 20 5 FGBDMO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000481522318 501800696 /nfs/dbraw/zinc/80/06/96/501800696.db2.gz PXZNUXSIFJGBFK-BBRMVZONSA-N 1 1 373.409 3.066 20 5 FGBDMO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000481522318 501800703 /nfs/dbraw/zinc/80/07/03/501800703.db2.gz PXZNUXSIFJGBFK-BBRMVZONSA-N 1 1 373.409 3.066 20 5 FGBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@@H](O)C[C@@H]3c3ccccc3)nc2c1 ZINC000602731608 506277944 /nfs/dbraw/zinc/27/79/44/506277944.db2.gz ODDJYYWTXWCRJP-NVXWUHKLSA-N 1 1 353.378 3.434 20 5 FGBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@H](O)C[C@@H]3c3ccccc3)nc2c1 ZINC000602731608 506277951 /nfs/dbraw/zinc/27/79/51/506277951.db2.gz ODDJYYWTXWCRJP-NVXWUHKLSA-N 1 1 353.378 3.434 20 5 FGBDMO O=C(CC[N@H+]1CCOC2(C1)CCCCCC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000478062777 501870084 /nfs/dbraw/zinc/87/00/84/501870084.db2.gz RJXDIVYYFKQMCK-UHFFFAOYSA-N 1 1 361.442 3.349 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@@H](CO)[C@H](C(F)(F)F)C3)o2)cc1 ZINC000602738091 506280333 /nfs/dbraw/zinc/28/03/33/506280333.db2.gz JLDUVKSAXBSRKU-SWLSCSKDSA-N 1 1 370.327 3.457 20 5 FGBDMO CC1CC(n2nnc3c2C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC3)C1 ZINC000602739948 506280848 /nfs/dbraw/zinc/28/08/48/506280848.db2.gz NVNSEEHLBMFKOL-GQCTYLIASA-N 1 1 353.426 3.229 20 5 FGBDMO CC1CC(n2nnc3c2C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC3)C1 ZINC000602739948 506280856 /nfs/dbraw/zinc/28/08/56/506280856.db2.gz NVNSEEHLBMFKOL-GQCTYLIASA-N 1 1 353.426 3.229 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+](CCO)CC3CCCCC3)o2)cc1 ZINC000485880198 501972829 /nfs/dbraw/zinc/97/28/29/501972829.db2.gz HVQCGGNNCLSVJN-UHFFFAOYSA-N 1 1 360.414 3.019 20 5 FGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596159952 506286748 /nfs/dbraw/zinc/28/67/48/506286748.db2.gz TWHWSNHKWIQODH-NEPJUHHUSA-N 1 1 367.833 3.098 20 5 FGBDMO COc1cc(C[N@H+](C)CCCC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1F ZINC000464691396 502065668 /nfs/dbraw/zinc/06/56/68/502065668.db2.gz NVKPCEYBUGAVHO-UHFFFAOYSA-N 1 1 356.394 3.296 20 5 FGBDMO COc1cc(C[N@@H+](C)CCCC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1F ZINC000464691396 502065670 /nfs/dbraw/zinc/06/56/70/502065670.db2.gz NVKPCEYBUGAVHO-UHFFFAOYSA-N 1 1 356.394 3.296 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2C[C@H](C)C[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000475157334 502085696 /nfs/dbraw/zinc/08/56/96/502085696.db2.gz PKNRBSNPRFFURM-MCIONIFRSA-N 1 1 350.415 3.013 20 5 FGBDMO CC1(C)CC[N@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000464794490 502097934 /nfs/dbraw/zinc/09/79/34/502097934.db2.gz MMERZYWHLJBKFS-UHFFFAOYSA-N 1 1 360.439 3.389 20 5 FGBDMO CC1(C)CC[N@@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000464794490 502097936 /nfs/dbraw/zinc/09/79/36/502097936.db2.gz MMERZYWHLJBKFS-UHFFFAOYSA-N 1 1 360.439 3.389 20 5 FGBDMO CC[C@@H](Nc1ncc(C)cc1[N+](=O)[O-])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000471698631 502111911 /nfs/dbraw/zinc/11/19/11/502111911.db2.gz RBVAJUGPJFFBSY-IEBWSBKVSA-N 1 1 370.453 3.390 20 5 FGBDMO CC[C@@H](Nc1ncc(C)cc1[N+](=O)[O-])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000471698631 502111917 /nfs/dbraw/zinc/11/19/17/502111917.db2.gz RBVAJUGPJFFBSY-IEBWSBKVSA-N 1 1 370.453 3.390 20 5 FGBDMO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)CCO2 ZINC000475294432 502123504 /nfs/dbraw/zinc/12/35/04/502123504.db2.gz YKQMWTOALQVUFR-IFXJQAMLSA-N 1 1 358.394 3.235 20 5 FGBDMO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)CCO2 ZINC000475294432 502123507 /nfs/dbraw/zinc/12/35/07/502123507.db2.gz YKQMWTOALQVUFR-IFXJQAMLSA-N 1 1 358.394 3.235 20 5 FGBDMO CCC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000475353726 502146748 /nfs/dbraw/zinc/14/67/48/502146748.db2.gz LAIMUZRAMCZILI-CVEARBPZSA-N 1 1 350.463 3.278 20 5 FGBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000461631133 502159343 /nfs/dbraw/zinc/15/93/43/502159343.db2.gz NXFUIDQWFFAAHR-LLVKDONJSA-N 1 1 372.263 3.208 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@H]3Cc3ccccc3)n2)cc1 ZINC000479119957 502168895 /nfs/dbraw/zinc/16/88/95/502168895.db2.gz TXHDMVDQSSDQCB-KRWDZBQOSA-N 1 1 350.378 3.462 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@H]3Cc3ccccc3)n2)cc1 ZINC000479119957 502168899 /nfs/dbraw/zinc/16/88/99/502168899.db2.gz TXHDMVDQSSDQCB-KRWDZBQOSA-N 1 1 350.378 3.462 20 5 FGBDMO COc1ccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000471944759 502179016 /nfs/dbraw/zinc/17/90/16/502179016.db2.gz SSNQRZGEKGYCIK-MAUKXSAKSA-N 1 1 370.409 3.170 20 5 FGBDMO O=c1[nH]ccc(N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC000596191910 506301172 /nfs/dbraw/zinc/30/11/72/506301172.db2.gz BZKXVAGFDDZNLD-BRWVUGGUSA-N 1 1 368.437 3.408 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@H]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000475709180 502259421 /nfs/dbraw/zinc/25/94/21/502259421.db2.gz JNUOFTUWTFZVTA-INIZCTEOSA-N 1 1 350.415 3.157 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2C[C@@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000475712432 502260742 /nfs/dbraw/zinc/26/07/42/502260742.db2.gz ZNWWAIATJUYWOQ-KBPBESRZSA-N 1 1 350.415 3.157 20 5 FGBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000462004999 502270803 /nfs/dbraw/zinc/27/08/03/502270803.db2.gz BUTJHCHYVNGMJN-HNNXBMFYSA-N 1 1 350.463 3.244 20 5 FGBDMO CCOc1cc(C[N@@H+]2CC(C)(C)O[C@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000483350102 502359624 /nfs/dbraw/zinc/35/96/24/502359624.db2.gz DWGIAINNVAFVLC-LJQANCHMSA-N 1 1 364.442 3.154 20 5 FGBDMO CCOc1cc(C[N@H+]2CC(C)(C)O[C@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000483350102 502359629 /nfs/dbraw/zinc/35/96/29/502359629.db2.gz DWGIAINNVAFVLC-LJQANCHMSA-N 1 1 364.442 3.154 20 5 FGBDMO Cc1cc(N2CC[N@@H+](C)[C@@H](C(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000487111617 502362408 /nfs/dbraw/zinc/36/24/08/502362408.db2.gz KEAMLFFTUKTGBY-QGZVFWFLSA-N 1 1 355.442 3.137 20 5 FGBDMO Cn1ccnc1[C@H](NC[C@@H]1CC[N@H+]1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000599074296 506310191 /nfs/dbraw/zinc/31/01/91/506310191.db2.gz PLVGCLPPEAPULU-RBUKOAKNSA-N 1 1 369.469 3.024 20 5 FGBDMO NC(=O)c1cccc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000487198973 502388312 /nfs/dbraw/zinc/38/83/12/502388312.db2.gz WFHWMZNYSLYQKK-UHFFFAOYSA-N 1 1 353.300 3.002 20 5 FGBDMO C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487286673 502409059 /nfs/dbraw/zinc/40/90/59/502409059.db2.gz MXCPAYVFCZECAC-GDBMZVCRSA-N 1 1 371.412 3.374 20 5 FGBDMO Cc1cc(C(F)(F)F)cc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)[nH+]1 ZINC000596214136 506314553 /nfs/dbraw/zinc/31/45/53/506314553.db2.gz NFPSTBMAKSWXNQ-UHFFFAOYSA-N 1 1 355.320 3.355 20 5 FGBDMO O=C1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CN1c1ccccc1Cl ZINC000480070210 502464135 /nfs/dbraw/zinc/46/41/35/502464135.db2.gz MAKBVJHGMYXOML-LBPRGKRZSA-N 1 1 363.776 3.282 20 5 FGBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000480077463 502466402 /nfs/dbraw/zinc/46/64/02/502466402.db2.gz KYTCKODMITWJNZ-GOEBONIOSA-N 1 1 369.421 3.420 20 5 FGBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000480077463 502466406 /nfs/dbraw/zinc/46/64/06/502466406.db2.gz KYTCKODMITWJNZ-GOEBONIOSA-N 1 1 369.421 3.420 20 5 FGBDMO CC[NH+]1CCN(c2ccccc2CNCc2cccc([N+](=O)[O-])c2C)CC1 ZINC000480470657 502576562 /nfs/dbraw/zinc/57/65/62/502576562.db2.gz FLVLSYZVCIXUPS-UHFFFAOYSA-N 1 1 368.481 3.335 20 5 FGBDMO C[C@H]1[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC(=O)N1Cc1ccccc1 ZINC000466477404 502582720 /nfs/dbraw/zinc/58/27/20/502582720.db2.gz LGZLCJHCMBECSH-UGSOOPFHSA-N 1 1 357.385 3.013 20 5 FGBDMO Cc1cc(F)ccc1C[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000488001711 502596430 /nfs/dbraw/zinc/59/64/30/502596430.db2.gz LBTBTYBYLNPBMN-UHFFFAOYSA-N 1 1 357.385 3.063 20 5 FGBDMO Cc1cc(F)ccc1C[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000488001711 502596434 /nfs/dbraw/zinc/59/64/34/502596434.db2.gz LBTBTYBYLNPBMN-UHFFFAOYSA-N 1 1 357.385 3.063 20 5 FGBDMO COCC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCC[C@@H]1C ZINC000488110787 502629800 /nfs/dbraw/zinc/62/98/00/502629800.db2.gz QRESVQYNXAIUOQ-XJKSGUPXSA-N 1 1 360.414 3.282 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](c2cccnc2)C1 ZINC000602853086 506327497 /nfs/dbraw/zinc/32/74/97/506327497.db2.gz GVHXHOMHQHKGKD-INIZCTEOSA-N 1 1 354.410 3.116 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](c2cccnc2)C1 ZINC000602853086 506327502 /nfs/dbraw/zinc/32/75/02/506327502.db2.gz GVHXHOMHQHKGKD-INIZCTEOSA-N 1 1 354.410 3.116 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000488457830 502720234 /nfs/dbraw/zinc/72/02/34/502720234.db2.gz MNEXGCMHOSFKBH-DNVCBOLYSA-N 1 1 353.422 3.235 20 5 FGBDMO CC[C@H]1Cc2ccccc2C[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000466945920 502736095 /nfs/dbraw/zinc/73/60/95/502736095.db2.gz GGJHOFIAHSWQAW-HKUYNNGSSA-N 1 1 356.422 3.171 20 5 FGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[N@@H+](C)[C@@H](C(C)(C)C)C1 ZINC000602872995 506332484 /nfs/dbraw/zinc/33/24/84/506332484.db2.gz FZWVFYUPYHTQCN-XJKSGUPXSA-N 1 1 373.457 3.368 20 5 FGBDMO CC[N@@H+]1[C@H](C)CN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C ZINC000602874844 506334257 /nfs/dbraw/zinc/33/42/57/506334257.db2.gz TXJQSQDTUSSNCX-HZSPNIEDSA-N 1 1 359.430 3.120 20 5 FGBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000474154624 502815912 /nfs/dbraw/zinc/81/59/12/502815912.db2.gz SJBSSYMWXWLCLK-HNNXBMFYSA-N 1 1 370.453 3.277 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000509127244 502828066 /nfs/dbraw/zinc/82/80/66/502828066.db2.gz CMCUNLLNQGEMBG-CQSZACIVSA-N 1 1 351.472 3.263 20 5 FGBDMO O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000513216857 502880206 /nfs/dbraw/zinc/88/02/06/502880206.db2.gz HPYKQKWWARHENQ-QGZVFWFLSA-N 1 1 357.385 3.128 20 5 FGBDMO COc1ccc(C[N@H+](CC(=O)N2CCCCCC2)C(C)C)cc1[N+](=O)[O-] ZINC000513227377 502884235 /nfs/dbraw/zinc/88/42/35/502884235.db2.gz BUVAJTMQSDBVPE-UHFFFAOYSA-N 1 1 363.458 3.216 20 5 FGBDMO COc1ccc(C[N@@H+](CC(=O)N2CCCCCC2)C(C)C)cc1[N+](=O)[O-] ZINC000513227377 502884238 /nfs/dbraw/zinc/88/42/38/502884238.db2.gz BUVAJTMQSDBVPE-UHFFFAOYSA-N 1 1 363.458 3.216 20 5 FGBDMO C[C@@H]1C[C@H](c2ccccc2)[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000513247490 502888377 /nfs/dbraw/zinc/88/83/77/502888377.db2.gz QFOBUKCSKIAPAV-HHXXYDBFSA-N 1 1 356.422 3.418 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](Cc1ccccn1)c1cccnc1 ZINC000513363506 502915153 /nfs/dbraw/zinc/91/51/53/502915153.db2.gz BULKNSPNPBKADI-LJQANCHMSA-N 1 1 364.405 3.467 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@H](C)C[C@@H]2c2cccnc2)c1 ZINC000593023958 506342627 /nfs/dbraw/zinc/34/26/27/506342627.db2.gz IBSFBSQBEBDAFZ-FZKQIMNGSA-N 1 1 355.394 3.360 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H](C)C[C@@H]2c2cccnc2)c1 ZINC000593023958 506342631 /nfs/dbraw/zinc/34/26/31/506342631.db2.gz IBSFBSQBEBDAFZ-FZKQIMNGSA-N 1 1 355.394 3.360 20 5 FGBDMO COc1ccc(C[N@H+]2CC[C@@H]2CNc2c3c(ccc2[N+](=O)[O-])NCC3)cc1 ZINC000599141129 506342367 /nfs/dbraw/zinc/34/23/67/506342367.db2.gz YCLXPHWSBCRNRJ-OAHLLOKOSA-N 1 1 368.437 3.258 20 5 FGBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000505612295 502950723 /nfs/dbraw/zinc/95/07/23/502950723.db2.gz REWWDZNKAYVQTI-CQSZACIVSA-N 1 1 373.432 3.431 20 5 FGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000505612295 502950724 /nfs/dbraw/zinc/95/07/24/502950724.db2.gz REWWDZNKAYVQTI-CQSZACIVSA-N 1 1 373.432 3.431 20 5 FGBDMO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCN(c2ccccc2)C1=O ZINC000513497143 502953552 /nfs/dbraw/zinc/95/35/52/502953552.db2.gz RLRZDBDQINVHBR-GXVATQTDSA-N 1 1 351.406 3.345 20 5 FGBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCN(c2ccccc2)C1=O ZINC000513497143 502953556 /nfs/dbraw/zinc/95/35/56/502953556.db2.gz RLRZDBDQINVHBR-GXVATQTDSA-N 1 1 351.406 3.345 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505862620 503001072 /nfs/dbraw/zinc/00/10/72/503001072.db2.gz MUAVPEBXENQYCO-CVEARBPZSA-N 1 1 369.421 3.323 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505862620 503001075 /nfs/dbraw/zinc/00/10/75/503001075.db2.gz MUAVPEBXENQYCO-CVEARBPZSA-N 1 1 369.421 3.323 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505901003 503009984 /nfs/dbraw/zinc/00/99/84/503009984.db2.gz KZTUZQHTWHCRCZ-CVEARBPZSA-N 1 1 369.421 3.323 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505901003 503009989 /nfs/dbraw/zinc/00/99/89/503009989.db2.gz KZTUZQHTWHCRCZ-CVEARBPZSA-N 1 1 369.421 3.323 20 5 FGBDMO O=[N+]([O-])c1cccc(OCCN2CC[NH+](C/C=C\c3ccccc3)CC2)c1 ZINC000501600795 503047252 /nfs/dbraw/zinc/04/72/52/503047252.db2.gz DXIXJCVDDRDIGH-YVMONPNESA-N 1 1 367.449 3.305 20 5 FGBDMO O=[N+]([O-])c1cccc(OCC[NH+]2CCN(C/C=C\c3ccccc3)CC2)c1 ZINC000501600795 503047256 /nfs/dbraw/zinc/04/72/56/503047256.db2.gz DXIXJCVDDRDIGH-YVMONPNESA-N 1 1 367.449 3.305 20 5 FGBDMO COC(=O)c1c(Cl)c(NC[C@@H]2CC[N@H+]2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000596309771 506350757 /nfs/dbraw/zinc/35/07/57/506350757.db2.gz WHHLQGHLJQGPDZ-JTQLQIEISA-N 1 1 355.822 3.320 20 5 FGBDMO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000490023925 503092511 /nfs/dbraw/zinc/09/25/11/503092511.db2.gz FZDDKYHALLTZNJ-LJQANCHMSA-N 1 1 356.422 3.308 20 5 FGBDMO COc1cc(C[NH2+][C@H](CO)c2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000602927266 506356099 /nfs/dbraw/zinc/35/60/99/506356099.db2.gz YXJOBFURIKPTPD-CQSZACIVSA-N 1 1 370.327 3.445 20 5 FGBDMO Cc1cccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3C)CC2)c1 ZINC000511070873 503246580 /nfs/dbraw/zinc/24/65/80/503246580.db2.gz XBDKMKYPWCIWGU-UHFFFAOYSA-N 1 1 353.422 3.170 20 5 FGBDMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000511093620 503253178 /nfs/dbraw/zinc/25/31/78/503253178.db2.gz DGYKIJHBSQKTRH-AWEZNQCLSA-N 1 1 357.410 3.105 20 5 FGBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000511093620 503253179 /nfs/dbraw/zinc/25/31/79/503253179.db2.gz DGYKIJHBSQKTRH-AWEZNQCLSA-N 1 1 357.410 3.105 20 5 FGBDMO Cc1ccccc1CCNC(=O)[C@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511097207 503254036 /nfs/dbraw/zinc/25/40/36/503254036.db2.gz URPOSFWGWRPXRG-KRWDZBQOSA-N 1 1 369.465 3.125 20 5 FGBDMO Cc1ccccc1CCNC(=O)[C@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511097207 503254039 /nfs/dbraw/zinc/25/40/39/503254039.db2.gz URPOSFWGWRPXRG-KRWDZBQOSA-N 1 1 369.465 3.125 20 5 FGBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000511126500 503262904 /nfs/dbraw/zinc/26/29/04/503262904.db2.gz QLMNSKNBEANVDT-LJQANCHMSA-N 1 1 353.422 3.089 20 5 FGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000511126500 503262906 /nfs/dbraw/zinc/26/29/06/503262906.db2.gz QLMNSKNBEANVDT-LJQANCHMSA-N 1 1 353.422 3.089 20 5 FGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1ccccc1Cl ZINC000511135991 503265925 /nfs/dbraw/zinc/26/59/25/503265925.db2.gz IGVAIWDQPNEFLV-OAHLLOKOSA-N 1 1 364.829 3.162 20 5 FGBDMO CC[N@H+]1C[C@@H](C)N(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000498916121 503292277 /nfs/dbraw/zinc/29/22/77/503292277.db2.gz PTOUBTZELVDIRR-NWDGAFQWSA-N 1 1 373.400 3.119 20 5 FGBDMO CC[N@H+]1C[C@H](C)N(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C ZINC000498926443 503295753 /nfs/dbraw/zinc/29/57/53/503295753.db2.gz CDFHVPZQCAQTBD-GJZGRUSLSA-N 1 1 358.442 3.207 20 5 FGBDMO CCN1C[C@H](C)[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C ZINC000498926443 503295757 /nfs/dbraw/zinc/29/57/57/503295757.db2.gz CDFHVPZQCAQTBD-GJZGRUSLSA-N 1 1 358.442 3.207 20 5 FGBDMO CCN1C[C@H](C)[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C ZINC000498926443 503295761 /nfs/dbraw/zinc/29/57/61/503295761.db2.gz CDFHVPZQCAQTBD-GJZGRUSLSA-N 1 1 358.442 3.207 20 5 FGBDMO C[C@@H](c1cccc(Nc2nc3sccn3c2[N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000511367623 503307766 /nfs/dbraw/zinc/30/77/66/503307766.db2.gz RNHXOTSDHBILIS-LBPRGKRZSA-N 1 1 373.438 3.441 20 5 FGBDMO COc1cccc([C@H](C)[NH+]2CCN(Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000507717612 503354090 /nfs/dbraw/zinc/35/40/90/503354090.db2.gz KYEUPRVAMBSKJS-INIZCTEOSA-N 1 1 355.438 3.482 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000511676975 503367788 /nfs/dbraw/zinc/36/77/88/503367788.db2.gz DECOREOILLWZHW-DOTOQJQBSA-N 1 1 353.422 3.469 20 5 FGBDMO CC(C)[C@H](CNc1ccc([N+](=O)[O-])cc1C(F)(F)F)[NH+]1CCOCC1 ZINC000511698355 503371587 /nfs/dbraw/zinc/37/15/87/503371587.db2.gz AJMFGDVNZHOTTQ-HNNXBMFYSA-N 1 1 361.364 3.382 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)c1 ZINC000515744995 503394659 /nfs/dbraw/zinc/39/46/59/503394659.db2.gz WCJCOHFMLZFWHX-PKOBYXMFSA-N 1 1 374.412 3.181 20 5 FGBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000516103185 503446149 /nfs/dbraw/zinc/44/61/49/503446149.db2.gz ATPAHPFTAAWKTI-MKBNYLNASA-N 1 1 351.834 3.051 20 5 FGBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000516271700 503487124 /nfs/dbraw/zinc/48/71/24/503487124.db2.gz XMMGITHPMDUJEN-RYUDHWBXSA-N 1 1 354.838 3.490 20 5 FGBDMO CC[N@@H+](CCNC(=O)Nc1cccc([N+](=O)[O-])c1C)CCC(F)(F)F ZINC000494180356 503499602 /nfs/dbraw/zinc/49/96/02/503499602.db2.gz UBAOJADPRLEUQE-UHFFFAOYSA-N 1 1 362.352 3.299 20 5 FGBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCc2ccccc2C1 ZINC000500101850 503554921 /nfs/dbraw/zinc/55/49/21/503554921.db2.gz ZOTKETUSVKOZKR-KRWDZBQOSA-N 1 1 353.422 3.413 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000494662292 503586523 /nfs/dbraw/zinc/58/65/23/503586523.db2.gz RTUCJZXGSXAMFJ-ZBFHGGJFSA-N 1 1 369.421 3.169 20 5 FGBDMO C[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccc(-n2cncn2)cc1 ZINC000508975203 503611115 /nfs/dbraw/zinc/61/11/15/503611115.db2.gz DEJUZAUHZFLRRR-LLVKDONJSA-N 1 1 359.336 3.305 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@H](Oc4ccccc4)C3)n2)cc1 ZINC000516924613 503620419 /nfs/dbraw/zinc/62/04/19/503620419.db2.gz TVFQWVHNHYNVIV-KRWDZBQOSA-N 1 1 366.377 3.298 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@H](Oc4ccccc4)C3)n2)cc1 ZINC000516924613 503620421 /nfs/dbraw/zinc/62/04/21/503620421.db2.gz TVFQWVHNHYNVIV-KRWDZBQOSA-N 1 1 366.377 3.298 20 5 FGBDMO C[N@@H+](CCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCC1 ZINC000517094022 503666445 /nfs/dbraw/zinc/66/64/45/503666445.db2.gz GKFDQLADSODSOZ-UHFFFAOYSA-N 1 1 374.466 3.323 20 5 FGBDMO COc1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(Cl)c1 ZINC000536679538 503677015 /nfs/dbraw/zinc/67/70/15/503677015.db2.gz FLSVPCDZJVBEOR-CYBMUJFWSA-N 1 1 362.817 3.338 20 5 FGBDMO COc1ccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(Cl)c1 ZINC000536679538 503677018 /nfs/dbraw/zinc/67/70/18/503677018.db2.gz FLSVPCDZJVBEOR-CYBMUJFWSA-N 1 1 362.817 3.338 20 5 FGBDMO Cc1ccc([C@H]2CC[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000543248908 503699594 /nfs/dbraw/zinc/69/95/94/503699594.db2.gz HMZNKBIOSKZMOB-ZWKOTPCHSA-N 1 1 356.422 3.132 20 5 FGBDMO CCc1ccc([C@H]([NH2+][C@@H](C)C[S@@](C)=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543418593 503762004 /nfs/dbraw/zinc/76/20/04/503762004.db2.gz IVNQHCWQGJASAV-PCJQFBCGSA-N 1 1 350.440 3.196 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)c2ncc([N+](=O)[O-])c(C)c2Br)[C@@H](C)C1 ZINC000543434689 503768798 /nfs/dbraw/zinc/76/87/98/503768798.db2.gz 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FGBDMO COc1ccc([C@H]([NH2+]Cc2cc(OC)c(F)cc2[N+](=O)[O-])C2CC2)cn1 ZINC000599702146 506591081 /nfs/dbraw/zinc/59/10/81/506591081.db2.gz FVDRWXKYRYIVOO-GOSISDBHSA-N 1 1 361.373 3.387 20 5 FGBDMO C[N@@H+](C[C@H](O)COc1ccc([N+](=O)[O-])cc1Cc1ccccc1)C1CC1 ZINC000589584479 506591475 /nfs/dbraw/zinc/59/14/75/506591475.db2.gz MJZHTUGVFMMIAL-IBGZPJMESA-N 1 1 356.422 3.020 20 5 FGBDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000593458262 506631389 /nfs/dbraw/zinc/63/13/89/506631389.db2.gz POCYMCZNSHGXFQ-UHFFFAOYSA-N 1 1 373.428 3.433 20 5 FGBDMO O=[N+]([O-])c1ccc2c(c1)nccc2N1CCC[N@H+](Cc2cscn2)CC1 ZINC000593462567 506632339 /nfs/dbraw/zinc/63/23/39/506632339.db2.gz XDWDGLFLLWLOMA-UHFFFAOYSA-N 1 1 369.450 3.312 20 5 FGBDMO O=[N+]([O-])c1ccc2c(c1)nccc2N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000593462567 506632348 /nfs/dbraw/zinc/63/23/48/506632348.db2.gz XDWDGLFLLWLOMA-UHFFFAOYSA-N 1 1 369.450 3.312 20 5 FGBDMO CC(C)(C)C1=CC[N@@H+](CCNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593617723 506704616 /nfs/dbraw/zinc/70/46/16/506704616.db2.gz RTZXBWUMQIAHFG-UHFFFAOYSA-N 1 1 363.433 3.071 20 5 FGBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599946036 506724408 /nfs/dbraw/zinc/72/44/08/506724408.db2.gz WADDEYJYFIMIRM-NSHDSACASA-N 1 1 372.263 3.208 20 5 FGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000597120106 506788113 /nfs/dbraw/zinc/78/81/13/506788113.db2.gz CRQUKKSQWVJGCX-HXUWFJFHSA-N 1 1 356.422 3.437 20 5 FGBDMO O=C(CC[N@H+]1CCCO[C@@H](c2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000609233692 506822182 /nfs/dbraw/zinc/82/21/82/506822182.db2.gz GOGVCBVQTPDKDY-LJQANCHMSA-N 1 1 369.421 3.387 20 5 FGBDMO COc1ccc(C(C)C)cc1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000593940193 506838891 /nfs/dbraw/zinc/83/88/91/506838891.db2.gz HKCOSOPUJIYUQY-UHFFFAOYSA-N 1 1 370.453 3.444 20 5 FGBDMO CCOc1cccc(N2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000609314433 506848022 /nfs/dbraw/zinc/84/80/22/506848022.db2.gz IEVCJXHVKZPJSY-HNNXBMFYSA-N 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Cc1ccc(OCC[N@H+](C)[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000609449065 506885605 /nfs/dbraw/zinc/88/56/05/506885605.db2.gz PZSAADFULXLAAO-LJQANCHMSA-N 1 1 369.421 3.019 20 5 FGBDMO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609448160 506885882 /nfs/dbraw/zinc/88/58/82/506885882.db2.gz ZLXCCRIEFFPASI-MRXNPFEDSA-N 1 1 371.412 3.028 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2csc(N3CC[NH+](C[C@H]4CCCO4)CC3)n2)cc1 ZINC000590634032 506890424 /nfs/dbraw/zinc/89/04/24/506890424.db2.gz JCMKJFFRDSGOMC-MRXNPFEDSA-N 1 1 374.466 3.019 20 5 FGBDMO C[N@H+]1CCCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000600313675 506900354 /nfs/dbraw/zinc/90/03/54/506900354.db2.gz JFMSAKFZTPJPKR-LLVKDONJSA-N 1 1 359.348 3.075 20 5 FGBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000600472226 506962979 /nfs/dbraw/zinc/96/29/79/506962979.db2.gz NJSVCGGYKQBODD-LBPRGKRZSA-N 1 1 371.359 3.360 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 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/nfs/dbraw/zinc/12/14/77/507121477.db2.gz BCJROYAIURCLAN-CQSZACIVSA-N 1 1 368.393 3.028 20 5 FGBDMO Cc1c(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000610298443 507183920 /nfs/dbraw/zinc/18/39/20/507183920.db2.gz WDRPSIACQNBOGU-QGZVFWFLSA-N 1 1 353.422 3.250 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000610316900 507190848 /nfs/dbraw/zinc/19/08/48/507190848.db2.gz DTHZGHFOUDOTLR-GOSISDBHSA-N 1 1 354.410 3.333 20 5 FGBDMO NC(=O)c1cccc([N+](=O)[O-])c1NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000591458920 507259032 /nfs/dbraw/zinc/25/90/32/507259032.db2.gz IYIUDNGOWBONGE-INIZCTEOSA-N 1 1 368.437 3.018 20 5 FGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000610489147 507259188 /nfs/dbraw/zinc/25/91/88/507259188.db2.gz HOTZYJGPULINEX-AWEZNQCLSA-N 1 1 373.375 3.305 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[C@H](c4nncn4C4CC4)C3)c2c1 ZINC000601136760 507274216 /nfs/dbraw/zinc/27/42/16/507274216.db2.gz WYIGIFRMEMZXGE-ZDUSSCGKSA-N 1 1 364.409 3.453 20 5 FGBDMO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000598219004 507322676 /nfs/dbraw/zinc/32/26/76/507322676.db2.gz KLLJARIURUETBZ-CQSZACIVSA-N 1 1 357.410 3.478 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000595004538 507350695 /nfs/dbraw/zinc/35/06/95/507350695.db2.gz TYJQVXWTTYMEBJ-CYBMUJFWSA-N 1 1 357.410 3.156 20 5 FGBDMO C[C@@H]1[C@@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000601583198 507394546 /nfs/dbraw/zinc/39/45/46/507394546.db2.gz XVMCCPBCPJYPKA-CJNGLKHVSA-N 1 1 357.385 3.127 20 5 FGBDMO O=[N+]([O-])c1ncccc1N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000610808055 507397511 /nfs/dbraw/zinc/39/75/11/507397511.db2.gz YENNRJQWIPSLHT-MSOLQXFVSA-N 1 1 352.438 3.481 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)c1 ZINC000598508673 507465023 /nfs/dbraw/zinc/46/50/23/507465023.db2.gz HEKYNLWDTCRKGE-OAHLLOKOSA-N 1 1 371.462 3.321 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)c1 ZINC000598508673 507465029 /nfs/dbraw/zinc/46/50/29/507465029.db2.gz HEKYNLWDTCRKGE-OAHLLOKOSA-N 1 1 371.462 3.321 20 5 FGBDMO Cc1noc(CN2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000595345113 507465604 /nfs/dbraw/zinc/46/56/04/507465604.db2.gz MWKFKNGUAZEHRU-MSOLQXFVSA-N 1 1 370.453 3.378 20 5 FGBDMO CSc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000598560931 507487978 /nfs/dbraw/zinc/48/79/78/507487978.db2.gz OUECTCIRCILYTN-AWEZNQCLSA-N 1 1 363.483 3.169 20 5 FGBDMO COc1cc(C[NH+]2CC(CC3CC3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000598677775 507549306 /nfs/dbraw/zinc/54/93/06/507549306.db2.gz IZQQGVWYXHZYMK-UHFFFAOYSA-N 1 1 356.369 3.479 20 5 FGBDMO O=[N+]([O-])c1cnccc1N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000611193679 507557303 /nfs/dbraw/zinc/55/73/03/507557303.db2.gz VMMHZWSHUPAFPK-UHFFFAOYSA-N 1 1 352.438 3.482 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[NH+](C[C@@H]3CCCO3)CC2)o1 ZINC000611252741 507581817 /nfs/dbraw/zinc/58/18/17/507581817.db2.gz DKNYPVZOZFQPKL-INIZCTEOSA-N 1 1 371.437 3.151 20 5 FGBDMO COCC[N@@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000611257701 507586409 /nfs/dbraw/zinc/58/64/09/507586409.db2.gz YGJFDKJNTQJFBF-UHFFFAOYSA-N 1 1 358.442 3.386 20 5 FGBDMO Cn1cc(C[N@H+]2CCC[C@@H](n3ccnc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611268132 507591981 /nfs/dbraw/zinc/59/19/81/507591981.db2.gz QNQBACKXKBJPBP-GOSISDBHSA-N 1 1 366.425 3.029 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000611303438 507613690 /nfs/dbraw/zinc/61/36/90/507613690.db2.gz NHDLCHHODUEDNL-CQSZACIVSA-N 1 1 361.442 3.444 20 5 FGBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@H](CCF)C2)c([N+](=O)[O-])c1 ZINC000595756750 507669447 /nfs/dbraw/zinc/66/94/47/507669447.db2.gz WIZFKKPXCQTSAY-CYBMUJFWSA-N 1 1 353.394 3.004 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000595786511 507683743 /nfs/dbraw/zinc/68/37/43/507683743.db2.gz ATEHEFMFXNGPDD-VKJFTORMSA-N 1 1 361.442 3.203 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595786571 507684073 /nfs/dbraw/zinc/68/40/73/507684073.db2.gz BPPASSXOMSCCJO-RKVPGOIHSA-N 1 1 361.442 3.203 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](Oc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000595832223 507707162 /nfs/dbraw/zinc/70/71/62/507707162.db2.gz UITDCFSWJSRXPA-DOTOQJQBSA-N 1 1 369.421 3.384 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](Oc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000595832223 507707164 /nfs/dbraw/zinc/70/71/64/507707164.db2.gz UITDCFSWJSRXPA-DOTOQJQBSA-N 1 1 369.421 3.384 20 5 FGBDMO O=[N+]([O-])c1sc(C[N@@H+](C[C@H]2CCOC2)C2CC2)cc1Br ZINC000602442614 507713248 /nfs/dbraw/zinc/71/32/48/507713248.db2.gz ZYXACEAIOIXUES-SECBINFHSA-N 1 1 361.261 3.420 20 5 FGBDMO Cc1nnc([C@@H]2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)[nH]1 ZINC000602483292 507721381 /nfs/dbraw/zinc/72/13/81/507721381.db2.gz IPYPMHGVYUBMTH-GFCCVEGCSA-N 1 1 369.347 3.420 20 5 FGBDMO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)n1 ZINC000602483292 507721386 /nfs/dbraw/zinc/72/13/86/507721386.db2.gz IPYPMHGVYUBMTH-GFCCVEGCSA-N 1 1 369.347 3.420 20 5 FGBDMO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)n1 ZINC000602483292 507721392 /nfs/dbraw/zinc/72/13/92/507721392.db2.gz IPYPMHGVYUBMTH-GFCCVEGCSA-N 1 1 369.347 3.420 20 5 FGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000602484153 507722661 /nfs/dbraw/zinc/72/26/61/507722661.db2.gz HWQITHZJEACCGC-LBPRGKRZSA-N 1 1 369.347 3.117 20 5 FGBDMO COc1ccc(NC(=O)C[N@@H+](C)C[C@@H]2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000595877244 507723832 /nfs/dbraw/zinc/72/38/32/507723832.db2.gz IDUQDWRDUYRERR-HNNXBMFYSA-N 1 1 369.421 3.204 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](CC)[C@@H](C)C1 ZINC000611559363 507739380 /nfs/dbraw/zinc/73/93/80/507739380.db2.gz NQAFLTKYAYNKSC-ZDUSSCGKSA-N 1 1 351.472 3.263 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000611559363 507739384 /nfs/dbraw/zinc/73/93/84/507739384.db2.gz NQAFLTKYAYNKSC-ZDUSSCGKSA-N 1 1 351.472 3.263 20 5 FGBDMO CCOc1cc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)ccc1OC ZINC000602548389 507746151 /nfs/dbraw/zinc/74/61/51/507746151.db2.gz XZOSBSVKCLVKEW-UHFFFAOYSA-N 1 1 357.366 3.433 20 5 FGBDMO O=[N+]([O-])c1cccc(C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C2CC2)c1 ZINC000826499663 608532974 /nfs/dbraw/zinc/53/29/74/608532974.db2.gz RPZMUBGZQHUYKH-UHFFFAOYSA-N 1 1 356.411 3.001 20 5 FGBDMO O=[N+]([O-])c1cccc(C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C2CC2)c1 ZINC000826499663 608532975 /nfs/dbraw/zinc/53/29/75/608532975.db2.gz RPZMUBGZQHUYKH-UHFFFAOYSA-N 1 1 356.411 3.001 20 5 FGBDMO O=[N+]([O-])c1ccc(Cl)c(OC[C@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000154106859 705022168 /nfs/dbraw/zinc/02/21/68/705022168.db2.gz XSRFICMESICFKG-MRXNPFEDSA-N 1 1 362.813 3.046 20 5 FGBDMO Cn1cc([C@@H](O)C[C@H]2CCC[N@H+]2Cc2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000374305880 713912246 /nfs/dbraw/zinc/91/22/46/713912246.db2.gz APSLIKWBJNWTFM-PBHICJAKSA-N 1 1 364.833 3.070 20 5 FGBDMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000618546621 714756213 /nfs/dbraw/zinc/75/62/13/714756213.db2.gz QQSMTQNMYVBPHJ-GOSISDBHSA-N 1 1 350.415 3.015 20 5 FGBDMO O=C1[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCN1c1cccc(Cl)c1 ZINC000749927359 722747997 /nfs/dbraw/zinc/74/79/97/722747997.db2.gz VLFBWMPWZALBOH-CYBMUJFWSA-N 1 1 351.815 3.205 20 5 FGBDMO O=[N+]([O-])c1cc(F)cnc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164629140 719065136 /nfs/dbraw/zinc/06/51/36/719065136.db2.gz VXOVIUOAVXPNBO-YJBOKZPZSA-N 1 1 356.401 3.230 20 5 FGBDMO CC(C)CNC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000782444541 724669949 /nfs/dbraw/zinc/66/99/49/724669949.db2.gz NALXGMYOOSXJAY-UHFFFAOYSA-N 1 1 353.850 3.232 20 5 FGBDMO CC(C)CNC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000783520823 724760544 /nfs/dbraw/zinc/76/05/44/724760544.db2.gz JEHGJBDERXGLKT-UHFFFAOYSA-N 1 1 353.850 3.232 20 5 FGBDMO C[C@H]1C[NH+](CCCNc2nc3ccc([N+](=O)[O-])cc3s2)C[C@H](C)O1 ZINC000729630409 722461128 /nfs/dbraw/zinc/46/11/28/722461128.db2.gz KBXCVTBRUWZOGF-RYUDHWBXSA-N 1 1 350.444 3.116 20 5 FGBDMO Cc1cnc(Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000742429561 722557265 /nfs/dbraw/zinc/55/72/65/722557265.db2.gz FWLYYSHYXLQBQJ-UHFFFAOYSA-N 1 1 361.833 3.447 20 5 FGBDMO O=[N+]([O-])c1ccc2nc(N[C@@H]3CCCC[C@H]3[NH+]3CCOCC3)sc2c1 ZINC000763377354 723338531 /nfs/dbraw/zinc/33/85/31/723338531.db2.gz WHRAPLHXDLOSTK-UKRRQHHQSA-N 1 1 362.455 3.260 20 5 FGBDMO Cc1cnn(-c2cc[nH+]cc2NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000764326824 723407398 /nfs/dbraw/zinc/40/73/98/723407398.db2.gz OZFASRABIFFIPM-UHFFFAOYSA-N 1 1 357.757 3.390 20 5 FGBDMO CN(C)c1cc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc[nH+]1 ZINC000766582369 723582336 /nfs/dbraw/zinc/58/23/36/723582336.db2.gz JKIOXYILWGEKSK-UHFFFAOYSA-N 1 1 365.187 3.071 20 5 FGBDMO O=[N+]([O-])c1cccc(Br)c1C[NH+]1CCC(n2cccn2)CC1 ZINC000769162616 723678469 /nfs/dbraw/zinc/67/84/69/723678469.db2.gz JWXHLAGHZOLDKQ-UHFFFAOYSA-N 1 1 365.231 3.391 20 5 FGBDMO O=[N+]([O-])c1cccc(Br)c1C[NH+]1CCC(n2ccnc2)CC1 ZINC000769188167 723679023 /nfs/dbraw/zinc/67/90/23/723679023.db2.gz ORHCQMKBVREXPG-UHFFFAOYSA-N 1 1 365.231 3.391 20 5 FGBDMO C[N@H+]1CCC[C@H]2CN(Cc3c(Br)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000770349977 723711606 /nfs/dbraw/zinc/71/16/06/723711606.db2.gz CPMDFLMCDZCEBN-WFASDCNBSA-N 1 1 368.275 3.273 20 5 FGBDMO Cc1[nH+]ccn1CCOC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000771935963 723746027 /nfs/dbraw/zinc/74/60/27/723746027.db2.gz DAFFWDCEWMUOBG-UHFFFAOYSA-N 1 1 358.379 3.080 20 5 FGBDMO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CCC[C@]4(CCCOC4)C3)c2c(Cl)c1 ZINC000774639114 723913239 /nfs/dbraw/zinc/91/32/39/723913239.db2.gz TWSYVBCWVMZMIS-KRWDZBQOSA-N 1 1 364.833 3.448 20 5 FGBDMO O=[N+]([O-])c1cc2cnn(C[N@H+]3CCC[C@]4(CCCOC4)C3)c2c(Cl)c1 ZINC000774639114 723913241 /nfs/dbraw/zinc/91/32/41/723913241.db2.gz TWSYVBCWVMZMIS-KRWDZBQOSA-N 1 1 364.833 3.448 20 5 FGBDMO C[C@]1(CNC(=O)c2csc([N+](=O)[O-])c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798525331 723940499 /nfs/dbraw/zinc/94/04/99/723940499.db2.gz RCRMAZCUQWBNCX-GOSISDBHSA-N 1 1 359.451 3.298 20 5 FGBDMO O=[N+]([O-])c1ccnn1C[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000799164781 723993880 /nfs/dbraw/zinc/99/38/80/723993880.db2.gz AANYQGMGDAGSIR-UHFFFAOYSA-N 1 1 365.231 3.391 20 5 FGBDMO COc1cc(C[N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)ccc1SC ZINC000776580355 724162326 /nfs/dbraw/zinc/16/23/26/724162326.db2.gz URMIRRGDLOONME-MRXNPFEDSA-N 1 1 362.451 3.491 20 5 FGBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)cc1 ZINC000776591646 724162661 /nfs/dbraw/zinc/16/26/61/724162661.db2.gz RXAWYMKEUUTRCU-NVXWUHKLSA-N 1 1 362.813 3.435 20 5 FGBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC=C(c3ccc(Cl)nc3)CC2)cc1 ZINC000776604668 724163889 /nfs/dbraw/zinc/16/38/89/724163889.db2.gz DOCXHCGZOXUNRC-QGZVFWFLSA-N 1 1 359.813 3.466 20 5 FGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c1 ZINC000777436421 724225298 /nfs/dbraw/zinc/22/52/98/724225298.db2.gz BDCVYAUOZVQNSD-KRWDZBQOSA-N 1 1 350.777 3.481 20 5 FGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c1 ZINC000777436421 724225301 /nfs/dbraw/zinc/22/53/01/724225301.db2.gz BDCVYAUOZVQNSD-KRWDZBQOSA-N 1 1 350.777 3.481 20 5 FGBDMO C[C@@H](O[NH+]=C(N)CCNC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000789643588 725140392 /nfs/dbraw/zinc/14/03/92/725140392.db2.gz FFTULXBRFOZHPH-LLVKDONJSA-N 1 1 352.391 3.069 20 5 FGBDMO CCOCC[NH+]1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000809941814 725277139 /nfs/dbraw/zinc/27/71/39/725277139.db2.gz KIDOZHARORUZQK-UHFFFAOYSA-N 1 1 362.257 3.056 20 5 FGBDMO O=C(O[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000810846128 725330914 /nfs/dbraw/zinc/33/09/14/725330914.db2.gz HSIIVCCLVOYDQZ-NEPJUHHUSA-N 1 1 358.316 3.397 20 5 FGBDMO NC(=O)c1cccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 ZINC000811472400 725367881 /nfs/dbraw/zinc/36/78/81/725367881.db2.gz DSXTUCIGHLSJNW-UHFFFAOYSA-N 1 1 354.193 3.290 20 5 FGBDMO C[C@@H]1CC2(CN1Cc1ccc(Br)c([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000818339877 727308257 /nfs/dbraw/zinc/30/82/57/727308257.db2.gz GFZKOTMXGBJVLQ-GFCCVEGCSA-N 1 1 368.275 3.321 20 5 FGBDMO C[C@H]1CC2(CN1Cc1c(Br)cccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000818431938 727311337 /nfs/dbraw/zinc/31/13/37/727311337.db2.gz WZCLSWJLPSNNRI-LBPRGKRZSA-N 1 1 368.275 3.321 20 5 FGBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)CCc3c(Cl)cccc3[N+](=O)[O-])C2)C1 ZINC000820608399 729009439 /nfs/dbraw/zinc/00/94/39/729009439.db2.gz IGLBQUFNENKEEU-SFHVURJKSA-N 1 1 365.861 3.125 20 5 FGBDMO CC(C)[C@H](CNc1cccc(Br)c1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000820617595 729011328 /nfs/dbraw/zinc/01/13/28/729011328.db2.gz SXSPXGYKIKDHIG-AWEZNQCLSA-N 1 1 372.263 3.126 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)ccc1Br ZINC000824716756 729356330 /nfs/dbraw/zinc/35/63/30/729356330.db2.gz ZQSWTUOERQYQHN-JGGQBBKZSA-N 1 1 369.259 3.483 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)c1F ZINC000834736094 729829693 /nfs/dbraw/zinc/82/96/93/729829693.db2.gz GLCQJHRFOZRBLB-LBPRGKRZSA-N 1 1 355.385 3.032 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)cc1Cl ZINC000836461332 729956503 /nfs/dbraw/zinc/95/65/03/729956503.db2.gz CMBVKZOMLXHWLV-YPMHNXCESA-N 1 1 353.850 3.407 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1Cl ZINC000836790880 729970031 /nfs/dbraw/zinc/97/00/31/729970031.db2.gz WFRCUGHUOOLGER-KRWDZBQOSA-N 1 1 351.834 3.115 20 5 FGBDMO CCN(OC)C(=O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000842768676 730541245 /nfs/dbraw/zinc/54/12/45/730541245.db2.gz SQMUMUVAYWGPLC-UHFFFAOYSA-N 1 1 367.789 3.008 20 5 FGBDMO COc1cc(N2CCC[C@@H](c3[nH+]ccn3C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000853542245 731720214 /nfs/dbraw/zinc/72/02/14/731720214.db2.gz YPFMABDGOMMNBX-LLVKDONJSA-N 1 1 350.806 3.374 20 5 FGBDMO C[N@@H+](C[C@H]1CCc2ccccc21)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000853611253 731731094 /nfs/dbraw/zinc/73/10/94/731731094.db2.gz WVNMDKVGIHIZGZ-GFCCVEGCSA-N 1 1 365.231 3.173 20 5 FGBDMO O=[N+]([O-])c1c(Br)cccc1N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000856728312 732047382 /nfs/dbraw/zinc/04/73/82/732047382.db2.gz QZPFERQPQZZZBZ-JTQLQIEISA-N 1 1 351.204 3.464 20 5 FGBDMO CO[C@@]1(C)CCC[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878533127 736871075 /nfs/dbraw/zinc/87/10/75/736871075.db2.gz LHPAGWDODOZEKS-INIZCTEOSA-N 1 1 366.805 3.299 20 5 FGBDMO CO[C@@]1(C)CCC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878533127 736871078 /nfs/dbraw/zinc/87/10/78/736871078.db2.gz LHPAGWDODOZEKS-INIZCTEOSA-N 1 1 366.805 3.299 20 5 FGBDMO CO[C@H]1CC[C@H](C)[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000879324694 736980839 /nfs/dbraw/zinc/98/08/39/736980839.db2.gz DXBJTMQJIDJFLT-JQWIXIFHSA-N 1 1 366.805 3.298 20 5 FGBDMO CO[C@H]1CC[C@H](C)[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000879324694 736980841 /nfs/dbraw/zinc/98/08/41/736980841.db2.gz DXBJTMQJIDJFLT-JQWIXIFHSA-N 1 1 366.805 3.298 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@@H](c4nccs4)C3)n2)c1 ZINC000880314808 737151571 /nfs/dbraw/zinc/15/15/71/737151571.db2.gz SCWIHMXGFGIVJO-GFCCVEGCSA-N 1 1 357.395 3.091 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@@H](c4nccs4)C3)n2)c1 ZINC000880314808 737151580 /nfs/dbraw/zinc/15/15/80/737151580.db2.gz SCWIHMXGFGIVJO-GFCCVEGCSA-N 1 1 357.395 3.091 20 5 FGBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2cc(F)cc(Br)c2[N+](=O)[O-])C1 ZINC000882133840 737424257 /nfs/dbraw/zinc/42/42/57/737424257.db2.gz DGAUHXIWIUNYFM-SECBINFHSA-N 1 1 369.194 3.224 20 5 FGBDMO Cc1ncncc1[C@H](C)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000883295263 737548591 /nfs/dbraw/zinc/54/85/91/737548591.db2.gz BPYLDRXQTDNBGY-VIFPVBQESA-N 1 1 351.204 3.307 20 5 FGBDMO O=[N+]([O-])c1cc2cnn(C[N@H+]3CC[C@@H]([C@H]4CCCO4)C3)c2c(Cl)c1 ZINC000884481297 737667626 /nfs/dbraw/zinc/66/76/26/737667626.db2.gz IUVYZFOGTCSFFV-IAQYHMDHSA-N 1 1 350.806 3.056 20 5 FGBDMO O=[N+]([O-])c1ncccc1C[NH2+][C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000886226675 739232752 /nfs/dbraw/zinc/23/27/52/739232752.db2.gz PTAGLNVTRXKREU-CQSZACIVSA-N 1 1 355.316 3.222 20 5 FGBDMO COc1ccc([C@@H](C)[NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])cc1F ZINC000892462305 740003157 /nfs/dbraw/zinc/00/31/57/740003157.db2.gz OHFIUUUNSOPPOO-SNVBAGLBSA-N 1 1 350.346 3.308 20 5 FGBDMO COc1nccc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1F ZINC000894082016 742236274 /nfs/dbraw/zinc/23/62/74/742236274.db2.gz NSDSUROTFIUKPA-UHFFFAOYSA-N 1 1 359.279 3.446 20 5 FGBDMO CCO/C=C\[C@](O)(C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C(F)(F)F ZINC000895709263 742444186 /nfs/dbraw/zinc/44/41/86/742444186.db2.gz YMNRBHAOGIJHDH-SZZPACECSA-N 1 1 368.739 3.181 20 5 FGBDMO CCO/C=C/[C@@](O)(C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C(F)(F)F ZINC000895709264 742444211 /nfs/dbraw/zinc/44/42/11/742444211.db2.gz YMNRBHAOGIJHDH-URWSZGRFSA-N 1 1 368.739 3.181 20 5 FGBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000900914501 743196202 /nfs/dbraw/zinc/19/62/02/743196202.db2.gz HJUZPNMSMVDTGF-LBPRGKRZSA-N 1 1 369.824 3.191 20 5 FGBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000906337413 744117747 /nfs/dbraw/zinc/11/77/47/744117747.db2.gz IZUOONFUZIPIPI-GFCCVEGCSA-N 1 1 364.833 3.138 20 5 FGBDMO C[C@H]1CN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+](C2CC2)C1 ZINC000908503021 744294404 /nfs/dbraw/zinc/29/44/04/744294404.db2.gz BIXXDLVDGIUQPY-CYBMUJFWSA-N 1 1 365.861 3.124 20 5 FGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927102294 759891840 /nfs/dbraw/zinc/89/18/40/759891840.db2.gz JBLCXZNHCYJEJJ-BBRMVZONSA-N 1 1 365.499 3.221 20 5 FGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000927102294 759891850 /nfs/dbraw/zinc/89/18/50/759891850.db2.gz JBLCXZNHCYJEJJ-BBRMVZONSA-N 1 1 365.499 3.221 20 5 FGBDMO CC(C)([NH2+]Cc1ccc(Br)nc1N)c1ccccc1[N+](=O)[O-] ZINC000930554663 760640860 /nfs/dbraw/zinc/64/08/60/760640860.db2.gz MTWWUENCPKSDJF-UHFFFAOYSA-N 1 1 365.231 3.359 20 5 FGBDMO Cc1noc(C[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)n1 ZINC000933572725 761431443 /nfs/dbraw/zinc/43/14/43/761431443.db2.gz AGFRYPDDWBCREW-LBPRGKRZSA-N 1 1 350.806 3.394 20 5 FGBDMO Cc1noc(C[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)n1 ZINC000933572725 761431449 /nfs/dbraw/zinc/43/14/49/761431449.db2.gz AGFRYPDDWBCREW-LBPRGKRZSA-N 1 1 350.806 3.394 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCCSC[C@H]3C3CC3)n2)c1 ZINC000933918981 761496067 /nfs/dbraw/zinc/49/60/67/761496067.db2.gz YCOKUZASTXNHDS-HNNXBMFYSA-N 1 1 360.439 3.362 20 5 FGBDMO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000108577254 206033941 /nfs/dbraw/zinc/03/39/41/206033941.db2.gz BNHQODVONOMOGV-UHFFFAOYSA-N 1 1 359.470 3.252 20 5 FGBDMO CCOc1cc(C[NH+]2CCC(Nc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000570795878 505583022 /nfs/dbraw/zinc/58/30/22/505583022.db2.gz NNBMGFXOSWCNKE-UHFFFAOYSA-N 1 1 356.426 3.465 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@H](COC(F)F)C2)c1 ZINC000579776272 505617610 /nfs/dbraw/zinc/61/76/10/505617610.db2.gz DUMCHOCZZCVPSQ-VIFPVBQESA-N 1 1 352.284 3.257 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@H](COC(F)F)C2)c1 ZINC000579776272 505617611 /nfs/dbraw/zinc/61/76/11/505617611.db2.gz DUMCHOCZZCVPSQ-VIFPVBQESA-N 1 1 352.284 3.257 20 5 FGBDMO Cc1cccnc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000080929304 493793012 /nfs/dbraw/zinc/79/30/12/493793012.db2.gz NBDVHAFOTMTPHN-INIZCTEOSA-N 1 1 354.410 3.149 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1ccccc1)C(C)C ZINC000028842935 493803956 /nfs/dbraw/zinc/80/39/56/493803956.db2.gz ONRJBQTZBZKFSV-UHFFFAOYSA-N 1 1 357.410 3.453 20 5 FGBDMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(C)s2)c([N+](=O)[O-])c1 ZINC000076342519 493870176 /nfs/dbraw/zinc/87/01/76/493870176.db2.gz YDAJALXMHWWEQS-LBPRGKRZSA-N 1 1 363.439 3.432 20 5 FGBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(C)s2)c([N+](=O)[O-])c1 ZINC000076342519 493870180 /nfs/dbraw/zinc/87/01/80/493870180.db2.gz YDAJALXMHWWEQS-LBPRGKRZSA-N 1 1 363.439 3.432 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1ccc(C)s1 ZINC000076342893 493871989 /nfs/dbraw/zinc/87/19/89/493871989.db2.gz VIDQYFKQMWYACT-UHFFFAOYSA-N 1 1 363.439 3.434 20 5 FGBDMO CCC[C@H](C)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000030269298 493883051 /nfs/dbraw/zinc/88/30/51/493883051.db2.gz NQUSJHDMPLEZHN-JTQLQIEISA-N 1 1 358.236 3.416 20 5 FGBDMO Cc1sc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000031542567 493947935 /nfs/dbraw/zinc/94/79/35/493947935.db2.gz AIQDXCAAUIRMLN-OAHLLOKOSA-N 1 1 359.451 3.359 20 5 FGBDMO Cc1sc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000031542567 493947939 /nfs/dbraw/zinc/94/79/39/493947939.db2.gz AIQDXCAAUIRMLN-OAHLLOKOSA-N 1 1 359.451 3.359 20 5 FGBDMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000051855288 493991204 /nfs/dbraw/zinc/99/12/04/493991204.db2.gz CVIHEFDRHQRSRK-HNNXBMFYSA-N 1 1 351.410 3.411 20 5 FGBDMO CSc1ccc(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000032730069 494008627 /nfs/dbraw/zinc/00/86/27/494008627.db2.gz JRUQYGBHYMNLSK-QWHCGFSZSA-N 1 1 351.472 3.309 20 5 FGBDMO O=C(C[N@@H+]1CCC[C@H]1Cc1cccc(F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000053076373 494090110 /nfs/dbraw/zinc/09/01/10/494090110.db2.gz NFAJICFFXRTGGR-INIZCTEOSA-N 1 1 357.385 3.380 20 5 FGBDMO O=C(C[N@H+]1CCC[C@H]1Cc1cccc(F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000053076373 494090113 /nfs/dbraw/zinc/09/01/13/494090113.db2.gz NFAJICFFXRTGGR-INIZCTEOSA-N 1 1 357.385 3.380 20 5 FGBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@H]2CCc2ccccc2)c([N+](=O)[O-])c1 ZINC000053182353 494101879 /nfs/dbraw/zinc/10/18/79/494101879.db2.gz XLJXWLSCBFVSOY-SFHVURJKSA-N 1 1 353.422 3.291 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000580190114 505699981 /nfs/dbraw/zinc/69/99/81/505699981.db2.gz FEMNZALYGPEKSW-SFHVURJKSA-N 1 1 369.421 3.385 20 5 FGBDMO C[N@@H+]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@@H](c2ccccc2)C1 ZINC000053286590 494114210 /nfs/dbraw/zinc/11/42/10/494114210.db2.gz SYRXUKUBJCWNGA-LJQANCHMSA-N 1 1 364.405 3.205 20 5 FGBDMO C[N@H+]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@@H](c2ccccc2)C1 ZINC000053286590 494114211 /nfs/dbraw/zinc/11/42/11/494114211.db2.gz SYRXUKUBJCWNGA-LJQANCHMSA-N 1 1 364.405 3.205 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2N)cc1 ZINC000086248483 494146515 /nfs/dbraw/zinc/14/65/15/494146515.db2.gz GXNPWQISGVAKPL-GFCCVEGCSA-N 1 1 365.393 3.162 20 5 FGBDMO CC[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccccc1C ZINC000042133452 494203923 /nfs/dbraw/zinc/20/39/23/494203923.db2.gz IUALUXIBPCYBEZ-UHFFFAOYSA-N 1 1 371.393 3.093 20 5 FGBDMO CC[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccccc1C ZINC000042133452 494203927 /nfs/dbraw/zinc/20/39/27/494203927.db2.gz IUALUXIBPCYBEZ-UHFFFAOYSA-N 1 1 371.393 3.093 20 5 FGBDMO CNc1ccc(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000054226884 494209994 /nfs/dbraw/zinc/20/99/94/494209994.db2.gz SSYSOJFQZPJLJB-YOEHRIQHSA-N 1 1 368.437 3.202 20 5 FGBDMO Cc1c(NC(=O)CCN2CC[C@H](C[NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000072718793 494239399 /nfs/dbraw/zinc/23/93/99/494239399.db2.gz ZJKQOIYGUDPPOG-QGZVFWFLSA-N 1 1 374.485 3.040 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000072945147 494288312 /nfs/dbraw/zinc/28/83/12/494288312.db2.gz YPJFWKGFYAVLEW-KGLIPLIRSA-N 1 1 363.487 3.395 20 5 FGBDMO COC(=O)[C@@H](C)C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000089892541 494394878 /nfs/dbraw/zinc/39/48/78/494394878.db2.gz CMLZGQUUMXOWEA-LBPRGKRZSA-N 1 1 359.382 3.023 20 5 FGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089908983 494398808 /nfs/dbraw/zinc/39/88/08/494398808.db2.gz FFYDCKUPICPQSL-AEFFLSMTSA-N 1 1 356.426 3.308 20 5 FGBDMO COc1ccc(NC(=O)C[N@@H+](C)C[C@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000066854377 494427840 /nfs/dbraw/zinc/42/78/40/494427840.db2.gz PSFRKVPGQPJSCZ-AWEZNQCLSA-N 1 1 357.410 3.277 20 5 FGBDMO CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090522249 494477539 /nfs/dbraw/zinc/47/75/39/494477539.db2.gz USYOZNAFOBXJPK-RTBURBONSA-N 1 1 355.438 3.415 20 5 FGBDMO COc1ccc(OCC[N@H+]2CCC[C@H]2c2c(C)n[nH]c2C)c([N+](=O)[O-])c1 ZINC000091081542 494526103 /nfs/dbraw/zinc/52/61/03/494526103.db2.gz LEJUGJOBYCUBOX-HNNXBMFYSA-N 1 1 360.414 3.159 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000023236266 494557351 /nfs/dbraw/zinc/55/73/51/494557351.db2.gz DBJVTYRHGLMAPN-SWLSCSKDSA-N 1 1 363.439 3.088 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000056761455 494558629 /nfs/dbraw/zinc/55/86/29/494558629.db2.gz GUPWEBMRJUKISB-OKILXGFUSA-N 1 1 351.422 3.222 20 5 FGBDMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000125960488 494588813 /nfs/dbraw/zinc/58/88/13/494588813.db2.gz PPKKCBDFGFFDMG-ZDUSSCGKSA-N 1 1 358.394 3.230 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000047038990 494623705 /nfs/dbraw/zinc/62/37/05/494623705.db2.gz HFMBWZVFWUHQPA-GASCZTMLSA-N 1 1 363.458 3.091 20 5 FGBDMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000047260744 494666810 /nfs/dbraw/zinc/66/68/10/494666810.db2.gz FZPQDMBFMMTMPL-INIZCTEOSA-N 1 1 354.410 3.149 20 5 FGBDMO COCC[N@H+](Cc1ccco1)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000092561456 494669201 /nfs/dbraw/zinc/66/92/01/494669201.db2.gz JRZMNZDFIQBRKP-UHFFFAOYSA-N 1 1 370.409 3.237 20 5 FGBDMO COCC[N@@H+](Cc1ccco1)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000092561456 494669207 /nfs/dbraw/zinc/66/92/07/494669207.db2.gz JRZMNZDFIQBRKP-UHFFFAOYSA-N 1 1 370.409 3.237 20 5 FGBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000080308376 494674746 /nfs/dbraw/zinc/67/47/46/494674746.db2.gz BETCNNVANDGGDU-LLVKDONJSA-N 1 1 359.348 3.027 20 5 FGBDMO Cc1cc(N[C@H](C[NH+]2CCN(C)CC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000092649466 494695956 /nfs/dbraw/zinc/69/59/56/494695956.db2.gz CWTDSSCIEQCGBK-LJQANCHMSA-N 1 1 354.454 3.304 20 5 FGBDMO CCCO[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000108392620 494698184 /nfs/dbraw/zinc/69/81/84/494698184.db2.gz HEJQYJVXTBPVSE-QGZVFWFLSA-N 1 1 350.415 3.242 20 5 FGBDMO NC(=O)CC[C@@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000092659962 494700117 /nfs/dbraw/zinc/70/01/17/494700117.db2.gz PKEPFNSWILFDSU-ZDUSSCGKSA-N 1 1 374.466 3.196 20 5 FGBDMO NC(=O)CC[C@@H]1CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000092659962 494700122 /nfs/dbraw/zinc/70/01/22/494700122.db2.gz PKEPFNSWILFDSU-ZDUSSCGKSA-N 1 1 374.466 3.196 20 5 FGBDMO NC(=O)CC[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000092660264 494701093 /nfs/dbraw/zinc/70/10/93/494701093.db2.gz BUWMRAIQJDICMO-CQSZACIVSA-N 1 1 357.410 3.332 20 5 FGBDMO COc1ccc(-c2ccc(CNC[C@H]3CCC[N@@H+](C)C3)o2)c([N+](=O)[O-])c1 ZINC000108428201 494704813 /nfs/dbraw/zinc/70/48/13/494704813.db2.gz DZQHWQKKRSLYSX-CQSZACIVSA-N 1 1 359.426 3.295 20 5 FGBDMO COc1ccc(-c2ccc(C[NH2+]C[C@H]3CCCN(C)C3)o2)c([N+](=O)[O-])c1 ZINC000108428201 494704835 /nfs/dbraw/zinc/70/48/35/494704835.db2.gz DZQHWQKKRSLYSX-CQSZACIVSA-N 1 1 359.426 3.295 20 5 FGBDMO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000092704600 494715998 /nfs/dbraw/zinc/71/59/98/494715998.db2.gz NHOCKONOXCJCDF-QGZVFWFLSA-N 1 1 372.400 3.438 20 5 FGBDMO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000092704600 494716005 /nfs/dbraw/zinc/71/60/05/494716005.db2.gz NHOCKONOXCJCDF-QGZVFWFLSA-N 1 1 372.400 3.438 20 5 FGBDMO CC(C)C[N@@H+](CC(N)=O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000092010940 494753161 /nfs/dbraw/zinc/75/31/61/494753161.db2.gz UQONTHXSRFJRKH-UHFFFAOYSA-N 1 1 365.817 3.452 20 5 FGBDMO Cn1cc([C@H]2CC[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)cn1 ZINC000116318870 494760921 /nfs/dbraw/zinc/76/09/21/494760921.db2.gz USNJLBCUTKZGFQ-HNNXBMFYSA-N 1 1 367.409 3.015 20 5 FGBDMO Cc1c(C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000025634337 494764077 /nfs/dbraw/zinc/76/40/77/494764077.db2.gz NXNFODQSJMFNNA-AWEZNQCLSA-N 1 1 353.422 3.080 20 5 FGBDMO COc1cc(C[N@@H+](C)[C@H](C)[C@@H]2Cc3ccccc3O2)c([N+](=O)[O-])cc1OC ZINC000092063778 494773960 /nfs/dbraw/zinc/77/39/60/494773960.db2.gz XVEGPLFATIYYDU-ACJLOTCBSA-N 1 1 372.421 3.436 20 5 FGBDMO Cn1cc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092071428 494778164 /nfs/dbraw/zinc/77/81/64/494778164.db2.gz ZRCPRZKWDRTKLQ-OAHLLOKOSA-N 1 1 366.425 3.098 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)o1 ZINC000092070195 494778319 /nfs/dbraw/zinc/77/83/19/494778319.db2.gz NJVJLXJVSVJKNQ-OAHLLOKOSA-N 1 1 367.409 3.359 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000092073894 494780894 /nfs/dbraw/zinc/78/08/94/494780894.db2.gz MITGFYFXLKAZDR-LLVKDONJSA-N 1 1 352.341 3.299 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000092073894 494780903 /nfs/dbraw/zinc/78/09/03/494780903.db2.gz MITGFYFXLKAZDR-LLVKDONJSA-N 1 1 352.341 3.299 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092073894 494780909 /nfs/dbraw/zinc/78/09/09/494780909.db2.gz MITGFYFXLKAZDR-LLVKDONJSA-N 1 1 352.341 3.299 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000075534979 494788257 /nfs/dbraw/zinc/78/82/57/494788257.db2.gz UJIKXGBRORPODW-SFHVURJKSA-N 1 1 354.410 3.333 20 5 FGBDMO Cc1cccc(OCC[N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000026337243 494819245 /nfs/dbraw/zinc/81/92/45/494819245.db2.gz MHVCIZWRZJRMRP-UHFFFAOYSA-N 1 1 357.410 3.243 20 5 FGBDMO CC(=O)c1ccc(NCc2ccccc2C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000026760141 494836434 /nfs/dbraw/zinc/83/64/34/494836434.db2.gz VRNOWKTUGFEYRS-UHFFFAOYSA-N 1 1 369.421 3.242 20 5 FGBDMO CC(C)n1cnnc1[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000093200886 494842577 /nfs/dbraw/zinc/84/25/77/494842577.db2.gz QKBNLCKQZUVWEH-HNNXBMFYSA-N 1 1 359.430 3.026 20 5 FGBDMO CCOC(=O)COc1ccc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000126974647 494871856 /nfs/dbraw/zinc/87/18/56/494871856.db2.gz BUCXVAFNEJAILR-UHFFFAOYSA-N 1 1 370.405 3.095 20 5 FGBDMO CCOC(=O)COc1ccc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000126974647 494871860 /nfs/dbraw/zinc/87/18/60/494871860.db2.gz BUCXVAFNEJAILR-UHFFFAOYSA-N 1 1 370.405 3.095 20 5 FGBDMO CN(Cc1cc(O)ccc1[N+](=O)[O-])C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093336731 494872641 /nfs/dbraw/zinc/87/26/41/494872641.db2.gz HAXBWNUNMAWNNK-QGZVFWFLSA-N 1 1 355.438 3.254 20 5 FGBDMO CN(Cc1cc(O)ccc1[N+](=O)[O-])C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093336731 494872644 /nfs/dbraw/zinc/87/26/44/494872644.db2.gz HAXBWNUNMAWNNK-QGZVFWFLSA-N 1 1 355.438 3.254 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc(Cl)c(F)c3)C2)nc1 ZINC000093534856 494898405 /nfs/dbraw/zinc/89/84/05/494898405.db2.gz JLZQAMMAWQVZQF-GFCCVEGCSA-N 1 1 350.781 3.469 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)nc1 ZINC000093534856 494898408 /nfs/dbraw/zinc/89/84/08/494898408.db2.gz JLZQAMMAWQVZQF-GFCCVEGCSA-N 1 1 350.781 3.469 20 5 FGBDMO CCc1nn(C)c(N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000094154363 494954876 /nfs/dbraw/zinc/95/48/76/494954876.db2.gz CDLABFPKWIRXMM-UHFFFAOYSA-N 1 1 371.485 3.239 20 5 FGBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000122606180 495002321 /nfs/dbraw/zinc/00/23/21/495002321.db2.gz BTTOLLYVNCMIKW-INIZCTEOSA-N 1 1 359.451 3.376 20 5 FGBDMO Cc1ccc([C@@H](C)NC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000122821994 495035990 /nfs/dbraw/zinc/03/59/90/495035990.db2.gz FZRMMXBKFLOCEZ-HZPDHXFCSA-N 1 1 362.474 3.241 20 5 FGBDMO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1c(Cl)cccc1[N+](=O)[O-])CC2 ZINC000119221218 495119982 /nfs/dbraw/zinc/11/99/82/495119982.db2.gz MMXXOWRENRLNOB-HOTGVXAUSA-N 1 1 354.834 3.000 20 5 FGBDMO O=C1CC[C@@H]2C[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])CC[C@@H]2N1C1CC1 ZINC000119517315 495181098 /nfs/dbraw/zinc/18/10/98/495181098.db2.gz LBSGYRIKWWGZDO-WBMJQRKESA-N 1 1 363.845 3.224 20 5 FGBDMO O=C1CC[C@@H]2C[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])CC[C@@H]2N1C1CC1 ZINC000119517315 495181102 /nfs/dbraw/zinc/18/11/02/495181102.db2.gz LBSGYRIKWWGZDO-WBMJQRKESA-N 1 1 363.845 3.224 20 5 FGBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000119515644 495181211 /nfs/dbraw/zinc/18/12/11/495181211.db2.gz ZOELKOBVYDJAEG-WBVHZDCISA-N 1 1 359.470 3.449 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000119557280 495189933 /nfs/dbraw/zinc/18/99/33/495189933.db2.gz HPNNPBBCLXFYRR-KXBFYZLASA-N 1 1 353.422 3.154 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000119587093 495196593 /nfs/dbraw/zinc/19/65/93/495196593.db2.gz CFKCQBFYHJLYLN-KXBFYZLASA-N 1 1 353.422 3.154 20 5 FGBDMO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000103132464 495196788 /nfs/dbraw/zinc/19/67/88/495196788.db2.gz PXSHWKYIZDOUMD-MRXNPFEDSA-N 1 1 371.412 3.028 20 5 FGBDMO Cc1cc(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000103132241 495196862 /nfs/dbraw/zinc/19/68/62/495196862.db2.gz IEQSBDXQCDGXRA-GOSISDBHSA-N 1 1 367.449 3.198 20 5 FGBDMO Cc1[nH+]ccn1CCCCNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000129777166 495294686 /nfs/dbraw/zinc/29/46/86/495294686.db2.gz ABVPNNYGRKVSGI-CYBMUJFWSA-N 1 1 362.455 3.177 20 5 FGBDMO Cc1nn(C)c(C)c1C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113331960 495297913 /nfs/dbraw/zinc/29/79/13/495297913.db2.gz BKIGLFUVVSAUIK-UHFFFAOYSA-N 1 1 357.439 3.358 20 5 FGBDMO C[NH+](C)[C@H](C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1ccccc1 ZINC000104874583 495312303 /nfs/dbraw/zinc/31/23/03/495312303.db2.gz LJOAARCIGWJUEO-SFHVURJKSA-N 1 1 365.393 3.226 20 5 FGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@]1(CO)CCc2ccccc21 ZINC000136180774 495362545 /nfs/dbraw/zinc/36/25/45/495362545.db2.gz QDRPRDYAJSUICX-HXUWFJFHSA-N 1 1 356.422 3.306 20 5 FGBDMO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCc2ccccc2C1 ZINC000114489740 495384242 /nfs/dbraw/zinc/38/42/42/495384242.db2.gz CWVFMWBKTDMMMP-SFHVURJKSA-N 1 1 354.406 3.451 20 5 FGBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@]3(CC=CCC3)C2)c([N+](=O)[O-])c1 ZINC000114495449 495385420 /nfs/dbraw/zinc/38/54/20/495385420.db2.gz XQCVNUREMQTTSD-LJQANCHMSA-N 1 1 359.426 3.364 20 5 FGBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@]3(CC=CCC3)C2)c([N+](=O)[O-])c1 ZINC000114495449 495385424 /nfs/dbraw/zinc/38/54/24/495385424.db2.gz XQCVNUREMQTTSD-LJQANCHMSA-N 1 1 359.426 3.364 20 5 FGBDMO CC[N@H+](Cc1ccc(OC)c(OC)c1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136894283 495408580 /nfs/dbraw/zinc/40/85/80/495408580.db2.gz NSAXFIOYZXKQQS-KRWDZBQOSA-N 1 1 360.410 3.168 20 5 FGBDMO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000125229355 495410298 /nfs/dbraw/zinc/41/02/98/495410298.db2.gz XRRWOVATOLUISN-INIZCTEOSA-N 1 1 368.437 3.011 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000125229355 495410301 /nfs/dbraw/zinc/41/03/01/495410301.db2.gz XRRWOVATOLUISN-INIZCTEOSA-N 1 1 368.437 3.011 20 5 FGBDMO C[C@H](O)C[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000130670256 495427940 /nfs/dbraw/zinc/42/79/40/495427940.db2.gz CAIVZPPTMIXYJC-JTQLQIEISA-N 1 1 369.215 3.430 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@H+](C[C@H](O)COCc2ccccc2F)C2CC2)cc1 ZINC000130688986 495430175 /nfs/dbraw/zinc/43/01/75/495430175.db2.gz MZXCFVDFHVWVNR-IBGZPJMESA-N 1 1 374.412 3.276 20 5 FGBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000106501677 495459259 /nfs/dbraw/zinc/45/92/59/495459259.db2.gz AGRNQQLMBJOXJO-LLVKDONJSA-N 1 1 352.822 3.387 20 5 FGBDMO CCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCCCO1 ZINC000106866277 495503718 /nfs/dbraw/zinc/50/37/18/495503718.db2.gz SCTLIDOSWWBSOB-CQSZACIVSA-N 1 1 369.849 3.468 20 5 FGBDMO CCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCCCO1 ZINC000106866277 495503720 /nfs/dbraw/zinc/50/37/20/495503720.db2.gz SCTLIDOSWWBSOB-CQSZACIVSA-N 1 1 369.849 3.468 20 5 FGBDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000115555897 495516842 /nfs/dbraw/zinc/51/68/42/495516842.db2.gz OVYMOQIYMJOSOK-SUMDDJOVSA-N 1 1 356.422 3.213 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000185333891 495536229 /nfs/dbraw/zinc/53/62/29/495536229.db2.gz BRRCNCAXGMHCJA-IBGZPJMESA-N 1 1 371.412 3.374 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1SC ZINC000173474704 495546872 /nfs/dbraw/zinc/54/68/72/495546872.db2.gz XRDAYANNGFZMLK-CQSZACIVSA-N 1 1 374.466 3.407 20 5 FGBDMO CC[N@@H+](CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000158665156 495561995 /nfs/dbraw/zinc/56/19/95/495561995.db2.gz RCOIGFJZPCXUPV-UHFFFAOYSA-N 1 1 369.215 3.432 20 5 FGBDMO C[C@H](C(=O)N1CCC(Cc2[nH+]ccn2C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000185538696 495614357 /nfs/dbraw/zinc/61/43/57/495614357.db2.gz KXGMSTXDOPIVDF-ZDUSSCGKSA-N 1 1 374.416 3.052 20 5 FGBDMO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000154530703 495644778 /nfs/dbraw/zinc/64/47/78/495644778.db2.gz VPPHXHNITMKYPF-HNNXBMFYSA-N 1 1 368.437 3.137 20 5 FGBDMO CC(C)[N@H+](CC(N)=O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000179656557 495678516 /nfs/dbraw/zinc/67/85/16/495678516.db2.gz NOGAGWYLLUXYDI-UHFFFAOYSA-N 1 1 351.790 3.204 20 5 FGBDMO CC(C)[N@@H+](CC(N)=O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000179656557 495678521 /nfs/dbraw/zinc/67/85/21/495678521.db2.gz NOGAGWYLLUXYDI-UHFFFAOYSA-N 1 1 351.790 3.204 20 5 FGBDMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176731493 495766164 /nfs/dbraw/zinc/76/61/64/495766164.db2.gz XGEJKCSXLUUFFL-RHSMWYFYSA-N 1 1 371.441 3.343 20 5 FGBDMO CCOC1CC[NH+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CC1 ZINC000179937993 495791753 /nfs/dbraw/zinc/79/17/53/495791753.db2.gz JQAWCWRJNVZHEF-UHFFFAOYSA-N 1 1 374.384 3.248 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000179951965 495797972 /nfs/dbraw/zinc/79/79/72/495797972.db2.gz IAOLSFSPDZKUEF-LJQANCHMSA-N 1 1 364.405 3.014 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c2c(c1)COCO2 ZINC000151803549 495953747 /nfs/dbraw/zinc/95/37/47/495953747.db2.gz CXPZXBWIUDFFEJ-DOTOQJQBSA-N 1 1 374.393 3.142 20 5 FGBDMO C[C@H]([NH2+]CC(=O)Nc1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 ZINC000180418572 495988893 /nfs/dbraw/zinc/98/88/93/495988893.db2.gz CISGHYPFCFNXAY-NSHDSACASA-N 1 1 356.407 3.494 20 5 FGBDMO Cc1csc([C@H]([NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C2CC2)n1 ZINC000183546622 496025661 /nfs/dbraw/zinc/02/56/61/496025661.db2.gz GOVHUWZDGNGATG-JKSUJKDBSA-N 1 1 372.450 3.206 20 5 FGBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H](C)c1cccc(O)c1 ZINC000174619059 496034873 /nfs/dbraw/zinc/03/48/73/496034873.db2.gz UJFUZNNAZWSOHE-ZDUSSCGKSA-N 1 1 373.409 3.331 20 5 FGBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H](C)c1cccc(O)c1 ZINC000174619059 496034879 /nfs/dbraw/zinc/03/48/79/496034879.db2.gz UJFUZNNAZWSOHE-ZDUSSCGKSA-N 1 1 373.409 3.331 20 5 FGBDMO CC[NH+]1CCN(C[C@H](C)CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000160781882 496040821 /nfs/dbraw/zinc/04/08/21/496040821.db2.gz HCBNDAAVEQXBOQ-CYBMUJFWSA-N 1 1 374.407 3.299 20 5 FGBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183616265 496049889 /nfs/dbraw/zinc/04/98/89/496049889.db2.gz VQANKXDVIFURAG-UHFFFAOYSA-N 1 1 357.414 3.152 20 5 FGBDMO C[C@H]1C[C@@H](NC(=O)Nc2ccncc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000183647376 496061354 /nfs/dbraw/zinc/06/13/54/496061354.db2.gz LOZICFHWNFPNKG-HOCLYGCPSA-N 1 1 369.425 3.164 20 5 FGBDMO O=[N+]([O-])c1cnn(CC[N@@H+](Cc2ccccc2C(F)(F)F)C2CC2)c1 ZINC000174822873 496121414 /nfs/dbraw/zinc/12/14/14/496121414.db2.gz QUYBRPLZXKDOCD-UHFFFAOYSA-N 1 1 354.332 3.475 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000571844006 505826371 /nfs/dbraw/zinc/82/63/71/505826371.db2.gz WNSGPDCENIFHPE-SJLPKXTDSA-N 1 1 361.442 3.121 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000174923137 496166286 /nfs/dbraw/zinc/16/62/86/496166286.db2.gz NCPOWJCGXJVBRU-SFHVURJKSA-N 1 1 367.449 3.497 20 5 FGBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000174923857 496167233 /nfs/dbraw/zinc/16/72/33/496167233.db2.gz BPGKWAIXTQEXIM-GOSISDBHSA-N 1 1 367.449 3.118 20 5 FGBDMO Cc1c(NC(=O)CC[N@@H+](Cc2ccccn2)C2CC2)cccc1[N+](=O)[O-] ZINC000180858597 496175067 /nfs/dbraw/zinc/17/50/67/496175067.db2.gz ICIKSHRKVZPMQS-UHFFFAOYSA-N 1 1 354.410 3.291 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)c2nccs2)cccc1[N+](=O)[O-] ZINC000184002899 496195940 /nfs/dbraw/zinc/19/59/40/496195940.db2.gz AXIPQVFPAJJXLK-YPMHNXCESA-N 1 1 362.455 3.422 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@H+](C)C[C@@H](C)c2nccs2)cccc1[N+](=O)[O-] ZINC000184002899 496195948 /nfs/dbraw/zinc/19/59/48/496195948.db2.gz AXIPQVFPAJJXLK-YPMHNXCESA-N 1 1 362.455 3.422 20 5 FGBDMO C[C@H](C[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1nccs1 ZINC000184013530 496202312 /nfs/dbraw/zinc/20/23/12/496202312.db2.gz PUCITWUJCPSGSA-SNVBAGLBSA-N 1 1 368.846 3.379 20 5 FGBDMO C[C@H](C[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1nccs1 ZINC000184013530 496202319 /nfs/dbraw/zinc/20/23/19/496202319.db2.gz PUCITWUJCPSGSA-SNVBAGLBSA-N 1 1 368.846 3.379 20 5 FGBDMO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000152741495 496242890 /nfs/dbraw/zinc/24/28/90/496242890.db2.gz SUTSNYTXJPFUSP-MRXNPFEDSA-N 1 1 372.469 3.286 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000152749896 496245381 /nfs/dbraw/zinc/24/53/81/496245381.db2.gz LRTTXWDADRCDCB-UHFFFAOYSA-N 1 1 351.472 3.311 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3nc4ccccc4s3)C2)nc1 ZINC000172358579 496267711 /nfs/dbraw/zinc/26/77/11/496267711.db2.gz LVNISPCXEIRIQD-LBPRGKRZSA-N 1 1 355.423 3.286 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3nc4ccccc4s3)C2)nc1 ZINC000172358579 496267719 /nfs/dbraw/zinc/26/77/19/496267719.db2.gz LVNISPCXEIRIQD-LBPRGKRZSA-N 1 1 355.423 3.286 20 5 FGBDMO NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000161981658 496275343 /nfs/dbraw/zinc/27/53/43/496275343.db2.gz CFMSAYOWESVXME-OAHLLOKOSA-N 1 1 363.801 3.348 20 5 FGBDMO NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000161981658 496275345 /nfs/dbraw/zinc/27/53/45/496275345.db2.gz CFMSAYOWESVXME-OAHLLOKOSA-N 1 1 363.801 3.348 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000152973516 496311509 /nfs/dbraw/zinc/31/15/09/496311509.db2.gz GLFUEYHTFBBQHX-QGZVFWFLSA-N 1 1 361.442 3.265 20 5 FGBDMO Cc1ccc(CNC(=O)C2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)cc1 ZINC000175315123 496335637 /nfs/dbraw/zinc/33/56/37/496335637.db2.gz YVPHZOGYJSKQRX-UHFFFAOYSA-N 1 1 373.478 3.493 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(CN3CCC[N@H+](C4CCCC4)CC3)n2)c1 ZINC000172584380 496351612 /nfs/dbraw/zinc/35/16/12/496351612.db2.gz SUSVLJUSBVHABV-UHFFFAOYSA-N 1 1 371.441 3.095 20 5 FGBDMO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1cc([N+](=O)[O-])ccc1Cl)CC2 ZINC000172589026 496355160 /nfs/dbraw/zinc/35/51/60/496355160.db2.gz DBUWJUAZSJQWBB-HZPDHXFCSA-N 1 1 354.834 3.000 20 5 FGBDMO CC(C)OC(=O)C[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000184470779 496398375 /nfs/dbraw/zinc/39/83/75/496398375.db2.gz SHZHAFTVZOCCJL-OAHLLOKOSA-N 1 1 350.415 3.027 20 5 FGBDMO Cc1cccc2nc(C[N@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)cc(=O)n12 ZINC000153267396 496403877 /nfs/dbraw/zinc/40/38/77/496403877.db2.gz VKMIRTNJJVHGAK-UHFFFAOYSA-N 1 1 364.405 3.076 20 5 FGBDMO Cc1cccc2nc(C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)cc(=O)n12 ZINC000153267396 496403882 /nfs/dbraw/zinc/40/38/82/496403882.db2.gz VKMIRTNJJVHGAK-UHFFFAOYSA-N 1 1 364.405 3.076 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000187463918 496452547 /nfs/dbraw/zinc/45/25/47/496452547.db2.gz OGLGHHNFNXCTJY-FQEVSTJZSA-N 1 1 367.449 3.164 20 5 FGBDMO O=C(C1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1)N1CCCCC1 ZINC000163291242 496494052 /nfs/dbraw/zinc/49/40/52/496494052.db2.gz JKFAVZWCJFZRSG-UHFFFAOYSA-N 1 1 365.861 3.473 20 5 FGBDMO C[C@H](NC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000175734057 496521615 /nfs/dbraw/zinc/52/16/15/496521615.db2.gz DPDIIFJMTDLAAF-YOEHRIQHSA-N 1 1 360.458 3.220 20 5 FGBDMO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000153629108 496524208 /nfs/dbraw/zinc/52/42/08/496524208.db2.gz ITXSAQUPTCRSRU-LRDDRELGSA-N 1 1 363.845 3.337 20 5 FGBDMO COc1cc(C[N@@H+](CCO)C2CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000153630343 496524463 /nfs/dbraw/zinc/52/44/63/496524463.db2.gz OCZSWGAIVBDDRM-UHFFFAOYSA-N 1 1 372.421 3.139 20 5 FGBDMO Cc1cnc(CC[N@@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)s1 ZINC000157670255 496527316 /nfs/dbraw/zinc/52/73/16/496527316.db2.gz KKCDHXPEELQTAK-UHFFFAOYSA-N 1 1 359.411 3.084 20 5 FGBDMO Cc1cnc(CC[N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)s1 ZINC000157670255 496527321 /nfs/dbraw/zinc/52/73/21/496527321.db2.gz KKCDHXPEELQTAK-UHFFFAOYSA-N 1 1 359.411 3.084 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCCn1cc[nH+]c1C ZINC000184824619 496546751 /nfs/dbraw/zinc/54/67/51/496546751.db2.gz ZTXNIBXZILYPPO-QGZVFWFLSA-N 1 1 358.442 3.265 20 5 FGBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000184851872 496557046 /nfs/dbraw/zinc/55/70/46/496557046.db2.gz FLHZTTXCMWWYCN-ROUUACIJSA-N 1 1 361.486 3.258 20 5 FGBDMO Cc1nc(C)c([C@H](C)[N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000181860335 496576031 /nfs/dbraw/zinc/57/60/31/496576031.db2.gz LWBRQYOOHRVMEH-JSGCOSHPSA-N 1 1 365.455 3.101 20 5 FGBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2cccs2)n1 ZINC000175864786 496579111 /nfs/dbraw/zinc/57/91/11/496579111.db2.gz OSMZOAGEQYJQPV-CABCVRRESA-N 1 1 364.471 3.221 20 5 FGBDMO COc1ccc(OCC[N@H+]2CC[C@H](Nc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000173289692 496629008 /nfs/dbraw/zinc/62/90/08/496629008.db2.gz GHFUYABFTKHYKV-INIZCTEOSA-N 1 1 357.410 3.169 20 5 FGBDMO COc1ccc(C[N@H+]2CCCN(c3cccc(OC)c3[N+](=O)[O-])CC2)cc1 ZINC000185140358 496678174 /nfs/dbraw/zinc/67/81/74/496678174.db2.gz QZUIOZRDKPNYMG-UHFFFAOYSA-N 1 1 371.437 3.324 20 5 FGBDMO COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000191472416 496774644 /nfs/dbraw/zinc/77/46/44/496774644.db2.gz MIGZQVUTTPQJGZ-IBGZPJMESA-N 1 1 372.421 3.151 20 5 FGBDMO COc1ccc(CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000268801345 496789384 /nfs/dbraw/zinc/78/93/84/496789384.db2.gz GIILOIICWXTDNC-HNNXBMFYSA-N 1 1 373.453 3.395 20 5 FGBDMO Cc1cc(C(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)cc([N+](=O)[O-])c1 ZINC000574850353 505868015 /nfs/dbraw/zinc/86/80/15/505868015.db2.gz KNSUYBDBTXYGQS-UHFFFAOYSA-N 1 1 354.410 3.137 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(c2ccncc2)CC1 ZINC000191644876 496845359 /nfs/dbraw/zinc/84/53/59/496845359.db2.gz HDBAPTXIUOYVAY-CQSZACIVSA-N 1 1 354.410 3.196 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(OC2CCCC2)CC1 ZINC000195318423 496887431 /nfs/dbraw/zinc/88/74/31/496887431.db2.gz GSXMKVAPNHRTQP-CQSZACIVSA-N 1 1 361.442 3.345 20 5 FGBDMO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000269460035 496951724 /nfs/dbraw/zinc/95/17/24/496951724.db2.gz WRMFDTFGHDAKIM-SUMWQHHRSA-N 1 1 369.421 3.430 20 5 FGBDMO CSc1ccc(C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000195593544 496952494 /nfs/dbraw/zinc/95/24/94/496952494.db2.gz VWAMWNGQMAGRDB-OLZOCXBDSA-N 1 1 351.472 3.167 20 5 FGBDMO C[C@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C)C1 ZINC000195650584 496958234 /nfs/dbraw/zinc/95/82/34/496958234.db2.gz ZCYKOIBXSWTMGJ-HZPDHXFCSA-N 1 1 374.485 3.045 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248202143 496972524 /nfs/dbraw/zinc/97/25/24/496972524.db2.gz ZAFVRXIXEGPKII-ZQIUZPCESA-N 1 1 363.483 3.018 20 5 FGBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000248538449 497033269 /nfs/dbraw/zinc/03/32/69/497033269.db2.gz AKCQRNRKXCMAMC-MGPQQGTHSA-N 1 1 351.422 3.074 20 5 FGBDMO C[C@@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000248565592 497041678 /nfs/dbraw/zinc/04/16/78/497041678.db2.gz KQJQXMNXFQATHL-UONOGXRCSA-N 1 1 365.449 3.464 20 5 FGBDMO COc1cc(C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)c([N+](=O)[O-])cc1F ZINC000274280626 497059109 /nfs/dbraw/zinc/05/91/09/497059109.db2.gz DABJSVKHSRSIBZ-JPQMIFPKSA-N 1 1 366.414 3.331 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@H]3CCC4(CCCCC4)O3)C2)nc1 ZINC000248843614 497116373 /nfs/dbraw/zinc/11/63/73/497116373.db2.gz ORJDDRLDGQWCJQ-NVXWUHKLSA-N 1 1 360.458 3.358 20 5 FGBDMO CC(C)C[C@H](CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000236636661 497124738 /nfs/dbraw/zinc/12/47/38/497124738.db2.gz DTKKUNNQQOLPNI-GOSISDBHSA-N 1 1 359.474 3.061 20 5 FGBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000192565707 497151219 /nfs/dbraw/zinc/15/12/19/497151219.db2.gz VKAROWXEXURAIH-OAHLLOKOSA-N 1 1 373.457 3.011 20 5 FGBDMO CCn1nc(C)c([N+](=O)[O-])c1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000192641773 497173042 /nfs/dbraw/zinc/17/30/42/497173042.db2.gz QFJVNGQMVLOQHP-KRWDZBQOSA-N 1 1 357.458 3.220 20 5 FGBDMO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265813965 497187571 /nfs/dbraw/zinc/18/75/71/497187571.db2.gz GIPOQHGJOSCIJK-UHFFFAOYSA-N 1 1 362.361 3.018 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000249413205 497200717 /nfs/dbraw/zinc/20/07/17/497200717.db2.gz YNNJKMHRCPWZTC-HIFRSBDPSA-N 1 1 362.430 3.082 20 5 FGBDMO CCn1nccc1C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000278941105 497274986 /nfs/dbraw/zinc/27/49/86/497274986.db2.gz ULOCNYSJICFRBT-UHFFFAOYSA-N 1 1 355.398 3.332 20 5 FGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255873956 497376184 /nfs/dbraw/zinc/37/61/84/497376184.db2.gz WFPKICBWJCLKFN-MMHDITDQSA-N 1 1 372.513 3.098 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000245418805 497395419 /nfs/dbraw/zinc/39/54/19/497395419.db2.gz AQEOGFLGMZJGEV-HIFRSBDPSA-N 1 1 362.430 3.082 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000245498663 497430716 /nfs/dbraw/zinc/43/07/16/497430716.db2.gz WQSCQZVWVPCMHS-NHYWBVRUSA-N 1 1 354.838 3.442 20 5 FGBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000193641401 497434660 /nfs/dbraw/zinc/43/46/60/497434660.db2.gz JBADRKKZQXMCON-INIZCTEOSA-N 1 1 374.466 3.178 20 5 FGBDMO C[C@H](Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000245735395 497522053 /nfs/dbraw/zinc/52/20/53/497522053.db2.gz KCQAJQVFVWGXGB-LIRRHRJNSA-N 1 1 368.437 3.218 20 5 FGBDMO C[C@@H]1OCC[C@@]1(O)C[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000572206546 505914065 /nfs/dbraw/zinc/91/40/65/505914065.db2.gz ZJGLSDFOBSMCOZ-KBXCAEBGSA-N 1 1 362.451 3.198 20 5 FGBDMO C[C@@H]1OCC[C@@]1(O)C[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000572206546 505914071 /nfs/dbraw/zinc/91/40/71/505914071.db2.gz ZJGLSDFOBSMCOZ-KBXCAEBGSA-N 1 1 362.451 3.198 20 5 FGBDMO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272342368 497602600 /nfs/dbraw/zinc/60/26/00/497602600.db2.gz YZAYDHUBCWGVJI-VQIMIIECSA-N 1 1 367.449 3.164 20 5 FGBDMO C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272370333 497610153 /nfs/dbraw/zinc/61/01/53/497610153.db2.gz UEHDWALGKHECMN-VQIMIIECSA-N 1 1 367.449 3.164 20 5 FGBDMO COc1cc(C[N@@H+](C)CCCCO)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000276733904 497640277 /nfs/dbraw/zinc/64/02/77/497640277.db2.gz YDMBDBYZZPXARM-UHFFFAOYSA-N 1 1 374.437 3.387 20 5 FGBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000246314342 497692414 /nfs/dbraw/zinc/69/24/14/497692414.db2.gz GJRTXRVYTRHZNS-LSDHHAIUSA-N 1 1 363.433 3.461 20 5 FGBDMO CCOc1cc(C[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000276950692 497697358 /nfs/dbraw/zinc/69/73/58/497697358.db2.gz UEWDRPIQWKJSDG-IVCQMTBJSA-N 1 1 362.451 3.203 20 5 FGBDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000268378797 497737116 /nfs/dbraw/zinc/73/71/16/497737116.db2.gz NOXXPFHVDDBXGL-MFKMUULPSA-N 1 1 359.348 3.072 20 5 FGBDMO Cc1[nH+]ccn1CCCCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000268507435 497769671 /nfs/dbraw/zinc/76/96/71/497769671.db2.gz VIXZZFAZBZTUIS-UHFFFAOYSA-N 1 1 354.208 3.150 20 5 FGBDMO C[C@@H]1C[C@@H](CC[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000273124756 497801730 /nfs/dbraw/zinc/80/17/30/497801730.db2.gz AKCXCJVOHDIAGZ-RVKKMQEKSA-N 1 1 358.442 3.213 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCOC[C@H](C4CCC4)C3)co2)cc1 ZINC000292153896 497902358 /nfs/dbraw/zinc/90/23/58/497902358.db2.gz NVTBRYCLBDJRPI-MRXNPFEDSA-N 1 1 357.410 3.498 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCOC[C@H](C4CCC4)C3)co2)cc1 ZINC000292153896 497902365 /nfs/dbraw/zinc/90/23/65/497902365.db2.gz NVTBRYCLBDJRPI-MRXNPFEDSA-N 1 1 357.410 3.498 20 5 FGBDMO Cc1cc(N[C@@H]2CC[N@H+]3CCCC[C@H]23)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301123012 497962882 /nfs/dbraw/zinc/96/28/82/497962882.db2.gz RPXPEENRIDNUJH-IAGOWNOFSA-N 1 1 353.426 3.399 20 5 FGBDMO C[C@H]([NH2+]Cc1ccncc1OCC(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285023726 497972380 /nfs/dbraw/zinc/97/23/80/497972380.db2.gz HMOXTVKYMSGXSR-JTQLQIEISA-N 1 1 370.331 3.364 20 5 FGBDMO Cc1cc([N+](=O)[O-])cnc1NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000301161425 497978250 /nfs/dbraw/zinc/97/82/50/497978250.db2.gz AOZHEPOXHJOTHP-IBGZPJMESA-N 1 1 369.469 3.089 20 5 FGBDMO Cc1cc([N+](=O)[O-])cnc1NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000301161425 497978254 /nfs/dbraw/zinc/97/82/54/497978254.db2.gz AOZHEPOXHJOTHP-IBGZPJMESA-N 1 1 369.469 3.089 20 5 FGBDMO Cc1cc([N+](=O)[O-])cnc1NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000301161425 497978264 /nfs/dbraw/zinc/97/82/64/497978264.db2.gz AOZHEPOXHJOTHP-IBGZPJMESA-N 1 1 369.469 3.089 20 5 FGBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(F)(c3ccccn3)CC2)c2c(c1)COCO2 ZINC000289028321 497985895 /nfs/dbraw/zinc/98/58/95/497985895.db2.gz AUWYRTKEFPBWSR-UHFFFAOYSA-N 1 1 373.384 3.317 20 5 FGBDMO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000364551562 498019313 /nfs/dbraw/zinc/01/93/13/498019313.db2.gz VQZWIXXQGGMLOU-SFHVURJKSA-N 1 1 367.449 3.166 20 5 FGBDMO CCOc1ccc(C[NH+]2CCN(c3nccc(C)c3[N+](=O)[O-])CC2)cc1 ZINC000301260509 498026486 /nfs/dbraw/zinc/02/64/86/498026486.db2.gz FHFZEOGFXIJTOG-UHFFFAOYSA-N 1 1 356.426 3.019 20 5 FGBDMO CCOC1CC2(C1)CC[N@H+](Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)C2 ZINC000285391849 498072124 /nfs/dbraw/zinc/07/21/24/498072124.db2.gz DGFOFCZNMDLFFS-UHFFFAOYSA-N 1 1 358.398 3.036 20 5 FGBDMO CCOC1CC2(C1)CC[N@@H+](Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)C2 ZINC000285391849 498072134 /nfs/dbraw/zinc/07/21/34/498072134.db2.gz DGFOFCZNMDLFFS-UHFFFAOYSA-N 1 1 358.398 3.036 20 5 FGBDMO C[C@H](CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)[N@H+]1CCC[C@H](C)C1 ZINC000301366059 498076437 /nfs/dbraw/zinc/07/64/37/498076437.db2.gz NPEOOPWNHNGFPF-UONOGXRCSA-N 1 1 362.430 3.084 20 5 FGBDMO C[C@@H]1C[N@@H+](C(C)(C)CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@H](C)O1 ZINC000301378223 498082912 /nfs/dbraw/zinc/08/29/12/498082912.db2.gz XGWLMJNMFWIMHS-TXEJJXNPSA-N 1 1 373.400 3.496 20 5 FGBDMO COc1ccc(OC)c(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3C)CC2)c1 ZINC000301424978 498105167 /nfs/dbraw/zinc/10/51/67/498105167.db2.gz BOWIBOLUKFCCFI-UHFFFAOYSA-N 1 1 371.437 3.243 20 5 FGBDMO CCc1cc(N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301526482 498148591 /nfs/dbraw/zinc/14/85/91/498148591.db2.gz HZNZDVXUUIETKT-KDOFPFPSSA-N 1 1 369.469 3.391 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000330695776 498175934 /nfs/dbraw/zinc/17/59/34/498175934.db2.gz DBKNYIGPWPRJAB-OLZOCXBDSA-N 1 1 351.472 3.260 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000330695776 498175939 /nfs/dbraw/zinc/17/59/39/498175939.db2.gz DBKNYIGPWPRJAB-OLZOCXBDSA-N 1 1 351.472 3.260 20 5 FGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000296743563 498178894 /nfs/dbraw/zinc/17/88/94/498178894.db2.gz PAKMVTIXKSBCSX-KGLIPLIRSA-N 1 1 371.441 3.122 20 5 FGBDMO C[C@]12CCC[N@@H+]1C[C@@H](c1noc(/C=C\c3ccccc3[N+](=O)[O-])n1)OC2 ZINC000578698092 505998957 /nfs/dbraw/zinc/99/89/57/505998957.db2.gz FGHDTVXYJGQYAE-YMQRJHMESA-N 1 1 356.382 3.074 20 5 FGBDMO C[C@]12CCC[N@H+]1C[C@@H](c1noc(/C=C\c3ccccc3[N+](=O)[O-])n1)OC2 ZINC000578698092 505998962 /nfs/dbraw/zinc/99/89/62/505998962.db2.gz FGHDTVXYJGQYAE-YMQRJHMESA-N 1 1 356.382 3.074 20 5 FGBDMO O=[N+]([O-])c1cnn(CCNc2cc[nH+]c3cc(Br)ccc23)c1 ZINC000301696223 498228584 /nfs/dbraw/zinc/22/85/84/498228584.db2.gz BGPQCYJDHONNPX-UHFFFAOYSA-N 1 1 362.187 3.214 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CCCC[C@H]2C[NH+]2CCOCC2)cc1C(F)(F)F ZINC000301837087 498286782 /nfs/dbraw/zinc/28/67/82/498286782.db2.gz VUIGLSVTVHHXEL-AWEZNQCLSA-N 1 1 373.375 3.305 20 5 FGBDMO O=[N+]([O-])c1ccc(NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c(Cl)c1 ZINC000301862303 498299553 /nfs/dbraw/zinc/29/95/53/498299553.db2.gz FNVFGTFQXSJYKC-CVEARBPZSA-N 1 1 361.829 3.296 20 5 FGBDMO Cc1cc(NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302020531 498372178 /nfs/dbraw/zinc/37/21/78/498372178.db2.gz NQMTXEFPTLIUHI-GASCZTMLSA-N 1 1 358.442 3.363 20 5 FGBDMO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c(Cl)c1 ZINC000302047573 498383754 /nfs/dbraw/zinc/38/37/54/498383754.db2.gz LQHSRQZDUYBSCF-INIZCTEOSA-N 1 1 361.829 3.427 20 5 FGBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000302175917 498429004 /nfs/dbraw/zinc/42/90/04/498429004.db2.gz OJZRCDCXSCSFAJ-WBVHZDCISA-N 1 1 370.453 3.345 20 5 FGBDMO O=[N+]([O-])c1cnc(N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC000302240949 498457369 /nfs/dbraw/zinc/45/73/69/498457369.db2.gz XSPHZNBKFOKPGW-KBAYOESNSA-N 1 1 353.426 3.097 20 5 FGBDMO C[C@H](CCN1CC[NH+](C)CC1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000302241346 498457434 /nfs/dbraw/zinc/45/74/34/498457434.db2.gz IITGVALMDSDDSY-GFCCVEGCSA-N 1 1 360.380 3.052 20 5 FGBDMO CSc1ccc(C(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000293695883 498457782 /nfs/dbraw/zinc/45/77/82/498457782.db2.gz MTWYTJGMLJEXJU-CYBMUJFWSA-N 1 1 363.483 3.263 20 5 FGBDMO CSc1ccc(C(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000293695886 498458007 /nfs/dbraw/zinc/45/80/07/498458007.db2.gz MTWYTJGMLJEXJU-ZDUSSCGKSA-N 1 1 363.483 3.263 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000362279193 498488158 /nfs/dbraw/zinc/48/81/58/498488158.db2.gz HIDFZRKOLQRCQM-ZIAGYGMSSA-N 1 1 363.483 3.452 20 5 FGBDMO CCc1nccc([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)n1 ZINC000365497624 498498609 /nfs/dbraw/zinc/49/86/09/498498609.db2.gz XNMSSBCFUNYCML-ZDUSSCGKSA-N 1 1 371.397 3.235 20 5 FGBDMO CCc1nccc([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)n1 ZINC000365497624 498498615 /nfs/dbraw/zinc/49/86/15/498498615.db2.gz XNMSSBCFUNYCML-ZDUSSCGKSA-N 1 1 371.397 3.235 20 5 FGBDMO Cn1nccc1[C@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000362445444 498517474 /nfs/dbraw/zinc/51/74/74/498517474.db2.gz AEPLMPFHRSKAAM-HNNXBMFYSA-N 1 1 367.409 3.363 20 5 FGBDMO CC(=O)c1ccc(N2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000362616010 498525384 /nfs/dbraw/zinc/52/53/84/498525384.db2.gz LAWFTXKLGZVISK-INIZCTEOSA-N 1 1 357.454 3.498 20 5 FGBDMO C[NH+](C)[C@@H](C(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)cc1 ZINC000572778010 506049901 /nfs/dbraw/zinc/04/99/01/506049901.db2.gz XYZGKLLYFNNSOY-QGZVFWFLSA-N 1 1 359.813 3.440 20 5 FGBDMO O=C(c1ccccc1)c1ccc(N2CC[NH+]3CCC2CC3)c([N+](=O)[O-])c1 ZINC000302766953 498564912 /nfs/dbraw/zinc/56/49/12/498564912.db2.gz LTNOEXAHNQNFTD-UHFFFAOYSA-N 1 1 351.406 3.110 20 5 FGBDMO C[C@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)[N@H+]1CCc2sccc2C1 ZINC000302823130 498589139 /nfs/dbraw/zinc/58/91/39/498589139.db2.gz FMXCLKBDZJZUNW-GFCCVEGCSA-N 1 1 358.467 3.483 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000365671752 498590072 /nfs/dbraw/zinc/59/00/72/498590072.db2.gz FQNLFFPFDOIBOX-CRAIPNDOSA-N 1 1 357.385 3.218 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000365671752 498590079 /nfs/dbraw/zinc/59/00/79/498590079.db2.gz FQNLFFPFDOIBOX-CRAIPNDOSA-N 1 1 357.385 3.218 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000365747170 498623057 /nfs/dbraw/zinc/62/30/57/498623057.db2.gz OWZMWYFMYFYLLJ-RBUKOAKNSA-N 1 1 365.433 3.189 20 5 FGBDMO C[N@H+]1CCCC12CCN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])CC2 ZINC000365760573 498629343 /nfs/dbraw/zinc/62/93/43/498629343.db2.gz ZLKMFTIMOVINDI-UHFFFAOYSA-N 1 1 369.824 3.017 20 5 FGBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ncccc3C(F)(F)F)CC2)n1 ZINC000365847765 498668614 /nfs/dbraw/zinc/66/86/14/498668614.db2.gz NBICIJOXUFFOTG-UHFFFAOYSA-N 1 1 355.320 3.042 20 5 FGBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000303432025 498673882 /nfs/dbraw/zinc/67/38/82/498673882.db2.gz CKRBTWYCXOABMP-HNNXBMFYSA-N 1 1 362.474 3.295 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@@H](c3cc(C)n[nH]3)C2)c([N+](=O)[O-])cc1OC ZINC000283008677 498743975 /nfs/dbraw/zinc/74/39/75/498743975.db2.gz LGQQYPNOUPWFQE-CYBMUJFWSA-N 1 1 360.414 3.023 20 5 FGBDMO COc1cc(C[N@@H+]2CCC[C@@H](c3cc(C)[nH]n3)C2)c([N+](=O)[O-])cc1OC ZINC000283008677 498743981 /nfs/dbraw/zinc/74/39/81/498743981.db2.gz LGQQYPNOUPWFQE-CYBMUJFWSA-N 1 1 360.414 3.023 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@@H](c3cc(C)[nH]n3)C2)c([N+](=O)[O-])cc1OC ZINC000283008677 498743985 /nfs/dbraw/zinc/74/39/85/498743985.db2.gz LGQQYPNOUPWFQE-CYBMUJFWSA-N 1 1 360.414 3.023 20 5 FGBDMO CNc1c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000312551999 498762012 /nfs/dbraw/zinc/76/20/12/498762012.db2.gz XKWOQQJNPXPPES-PBHICJAKSA-N 1 1 368.437 3.029 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC(F)(F)[C@H](CO)C2)o1 ZINC000291296436 498881980 /nfs/dbraw/zinc/88/19/80/498881980.db2.gz QBXLTQRXTIPWJJ-LBPRGKRZSA-N 1 1 352.337 3.304 20 5 FGBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291377348 498917386 /nfs/dbraw/zinc/91/73/86/498917386.db2.gz BMHSESOUZMWENJ-OLZOCXBDSA-N 1 1 358.225 3.258 20 5 FGBDMO C[N@H+]1CC[C@]2(CCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)C1 ZINC000366487653 498948844 /nfs/dbraw/zinc/94/88/44/498948844.db2.gz GJBORAVHWXCLGT-SFHVURJKSA-N 1 1 358.467 3.246 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2F)[C@@H](C)C1 ZINC000284058267 499040639 /nfs/dbraw/zinc/04/06/39/499040639.db2.gz QESYZRHWJQIWDB-WFASDCNBSA-N 1 1 352.410 3.236 20 5 FGBDMO CCCCCC(=O)NC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000299460336 499065747 /nfs/dbraw/zinc/06/57/47/499065747.db2.gz BPJVWHDWCMTGMN-UHFFFAOYSA-N 1 1 363.458 3.264 20 5 FGBDMO Cc1cc([C@H]2CCC[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)[nH]n1 ZINC000364015532 499086622 /nfs/dbraw/zinc/08/66/22/499086622.db2.gz VRUIHFPJTWFHJL-HNNXBMFYSA-N 1 1 371.441 3.143 20 5 FGBDMO Cc1cc([C@H]2CCC[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)n[nH]1 ZINC000364015532 499086628 /nfs/dbraw/zinc/08/66/28/499086628.db2.gz VRUIHFPJTWFHJL-HNNXBMFYSA-N 1 1 371.441 3.143 20 5 FGBDMO Cc1cc([C@H]2CCC[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)n[nH]1 ZINC000364015532 499086635 /nfs/dbraw/zinc/08/66/35/499086635.db2.gz VRUIHFPJTWFHJL-HNNXBMFYSA-N 1 1 371.441 3.143 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000364040121 499096768 /nfs/dbraw/zinc/09/67/68/499096768.db2.gz VPPYEIZJOCSMPZ-UMGGQSCQSA-N 1 1 371.481 3.106 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cccc(C)c2[N+](=O)[O-])cc1F ZINC000364053392 499101799 /nfs/dbraw/zinc/10/17/99/499101799.db2.gz VAQWCJBRGIWMTP-UHFFFAOYSA-N 1 1 368.368 3.466 20 5 FGBDMO Cc1cc(C(=O)N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC000372543810 499143786 /nfs/dbraw/zinc/14/37/86/499143786.db2.gz JFZGCENVNJDZHN-HKUYNNGSSA-N 1 1 368.437 3.063 20 5 FGBDMO CN1CCC[C@]2(CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3C(F)(F)F)C2)C1=O ZINC000372559329 499145789 /nfs/dbraw/zinc/14/57/89/499145789.db2.gz ZJPNBOLMNQRWQL-MRXNPFEDSA-N 1 1 371.359 3.058 20 5 FGBDMO Cc1cc(C)n(CC2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)n1 ZINC000372684469 499160803 /nfs/dbraw/zinc/16/08/03/499160803.db2.gz KLJHUVUIYAZBMK-UHFFFAOYSA-N 1 1 369.425 3.462 20 5 FGBDMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000372741933 499168750 /nfs/dbraw/zinc/16/87/50/499168750.db2.gz OPHAJMWWINZPKG-GOSISDBHSA-N 1 1 371.441 3.111 20 5 FGBDMO CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000367583508 499215139 /nfs/dbraw/zinc/21/51/39/499215139.db2.gz SCEONGFWASUAHV-OAHLLOKOSA-N 1 1 357.414 3.359 20 5 FGBDMO C[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)[C@H]1c1cccc(Cl)c1 ZINC000370524081 499228520 /nfs/dbraw/zinc/22/85/20/499228520.db2.gz RPFYDGXIKRBTDK-CXAGYDPISA-N 1 1 374.828 3.066 20 5 FGBDMO COc1ccc(C(=O)N2CCC[C@@H](n3cc[nH+]c3C(C)C)C2)cc1[N+](=O)[O-] ZINC000370875355 499265443 /nfs/dbraw/zinc/26/54/43/499265443.db2.gz FKHQZFWDOVMSIT-OAHLLOKOSA-N 1 1 372.425 3.401 20 5 FGBDMO CC(=O)NCc1ccc([C@@H]2CCC[N@H+]2CCOc2cccc([N+](=O)[O-])c2)o1 ZINC000368760758 499329257 /nfs/dbraw/zinc/32/92/57/499329257.db2.gz HINICJMVOUBVSM-SFHVURJKSA-N 1 1 373.409 3.040 20 5 FGBDMO Cc1noc(C2(C)CC[NH+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)n1 ZINC000371574828 499343682 /nfs/dbraw/zinc/34/36/82/499343682.db2.gz MWSOXMYCWCZQMU-UHFFFAOYSA-N 1 1 350.806 3.493 20 5 FGBDMO Cc1sc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000369161707 499372845 /nfs/dbraw/zinc/37/28/45/499372845.db2.gz GLHNVNLLEMJDRF-OAHLLOKOSA-N 1 1 374.466 3.002 20 5 FGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3ccccc3CO)CC2)c([N+](=O)[O-])c1 ZINC000372971129 499445281 /nfs/dbraw/zinc/44/52/81/499445281.db2.gz BDOVVNCOWKPEMM-UHFFFAOYSA-N 1 1 371.393 3.375 20 5 FGBDMO O=[N+]([O-])c1cccc(CNC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1 ZINC000373488923 499472956 /nfs/dbraw/zinc/47/29/56/499472956.db2.gz IRZUIAYVYFCHNK-UHFFFAOYSA-N 1 1 357.376 3.490 20 5 FGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000375716915 499548339 /nfs/dbraw/zinc/54/83/39/499548339.db2.gz BLUPIITZTKMEFZ-LJQANCHMSA-N 1 1 371.393 3.449 20 5 FGBDMO C[N@@H+](CCNc1ncc([N+](=O)[O-])cc1Br)Cc1ccccc1 ZINC000386739987 499549153 /nfs/dbraw/zinc/54/91/53/499549153.db2.gz XYXUGCAXHJLIOK-UHFFFAOYSA-N 1 1 365.231 3.296 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(c2ccc(C)c[nH+]2)C1 ZINC000376556315 499618376 /nfs/dbraw/zinc/61/83/76/499618376.db2.gz MHYSSVUMNONGKS-CQSZACIVSA-N 1 1 370.409 3.162 20 5 FGBDMO O=[N+]([O-])c1cnc(N2CCC[C@H]2[C@H]2CCC[N@H+]2Cc2ccccc2)nc1 ZINC000376922878 499646515 /nfs/dbraw/zinc/64/65/15/499646515.db2.gz LYVJGCWGCPKZQL-MSOLQXFVSA-N 1 1 353.426 3.018 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1[nH+]c(C)n2c1CCCC2 ZINC000376955252 499649317 /nfs/dbraw/zinc/64/93/17/499649317.db2.gz NTFWMPJAVSMVLN-MRXNPFEDSA-N 1 1 370.453 3.321 20 5 FGBDMO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000410505879 499665413 /nfs/dbraw/zinc/66/54/13/499665413.db2.gz WIQJJOSYYCEXCR-CQSZACIVSA-N 1 1 359.348 3.026 20 5 FGBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000410505879 499665414 /nfs/dbraw/zinc/66/54/14/499665414.db2.gz WIQJJOSYYCEXCR-CQSZACIVSA-N 1 1 359.348 3.026 20 5 FGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000410552662 499667441 /nfs/dbraw/zinc/66/74/41/499667441.db2.gz CWOKTTYHUZMYQX-OLZOCXBDSA-N 1 1 371.359 3.312 20 5 FGBDMO CC[N@@H+]1CCc2nc(NC(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000411251102 499717517 /nfs/dbraw/zinc/71/75/17/499717517.db2.gz HGWXKROTNSVOEM-UONOGXRCSA-N 1 1 372.450 3.172 20 5 FGBDMO CC[N@H+]1CCc2nc(NC(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000411251102 499717519 /nfs/dbraw/zinc/71/75/19/499717519.db2.gz HGWXKROTNSVOEM-UONOGXRCSA-N 1 1 372.450 3.172 20 5 FGBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])s3)C[C@@H]2[C@@H]1c1ccccc1 ZINC000377823199 499738823 /nfs/dbraw/zinc/73/88/23/499738823.db2.gz HLJLPSAWDDWMKQ-KEYYUXOJSA-N 1 1 357.435 3.031 20 5 FGBDMO Cc1cc([C@@H]2CCC[N@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)[nH]n1 ZINC000377838251 499740819 /nfs/dbraw/zinc/74/08/19/499740819.db2.gz WWWGDVFQQZTHCI-CQSZACIVSA-N 1 1 368.397 3.056 20 5 FGBDMO Cc1cc([C@@H]2CCC[N@@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)[nH]n1 ZINC000377838251 499740820 /nfs/dbraw/zinc/74/08/20/499740820.db2.gz WWWGDVFQQZTHCI-CQSZACIVSA-N 1 1 368.397 3.056 20 5 FGBDMO Cc1cc([C@@H]2CCC[N@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n[nH]1 ZINC000377838251 499740821 /nfs/dbraw/zinc/74/08/21/499740821.db2.gz WWWGDVFQQZTHCI-CQSZACIVSA-N 1 1 368.397 3.056 20 5 FGBDMO Cc1cc([C@@H]2CCC[N@@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n[nH]1 ZINC000377838251 499740822 /nfs/dbraw/zinc/74/08/22/499740822.db2.gz WWWGDVFQQZTHCI-CQSZACIVSA-N 1 1 368.397 3.056 20 5 FGBDMO C[N@H+]1CC[C@@H](CNc2c3c(ccc2[N+](=O)[O-])NCC3)[C@@H]1c1cccnc1 ZINC000377975585 499752447 /nfs/dbraw/zinc/75/24/47/499752447.db2.gz VJOGPWDXKOBHGT-LIRRHRJNSA-N 1 1 353.426 3.063 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411953508 499806138 /nfs/dbraw/zinc/80/61/38/499806138.db2.gz UIGDBBUDOMJZQP-PKOBYXMFSA-N 1 1 369.421 3.040 20 5 FGBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000412004356 499811929 /nfs/dbraw/zinc/81/19/29/499811929.db2.gz CWMRFEDBYOVTSC-OALUTQOASA-N 1 1 355.438 3.415 20 5 FGBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412234297 499836534 /nfs/dbraw/zinc/83/65/34/499836534.db2.gz PSSJACWIVQLNIT-UIAACRFSSA-N 1 1 367.449 3.335 20 5 FGBDMO CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)CCC(F)(F)F ZINC000412291645 499841780 /nfs/dbraw/zinc/84/17/80/499841780.db2.gz YSLSRDJWKABWTE-LSDHHAIUSA-N 1 1 373.375 3.089 20 5 FGBDMO C[C@H](C(=O)N1CCC[N@@H+](CC2CCC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000412312671 499843984 /nfs/dbraw/zinc/84/39/84/499843984.db2.gz PWEBSJWPNOZOIC-AWEZNQCLSA-N 1 1 363.433 3.172 20 5 FGBDMO C[C@H]1CN(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000413137945 499918488 /nfs/dbraw/zinc/91/84/88/499918488.db2.gz CLBRWLBJHGCORC-INIZCTEOSA-N 1 1 368.437 3.011 20 5 FGBDMO C[C@H]1CN(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000413137945 499918489 /nfs/dbraw/zinc/91/84/89/499918489.db2.gz CLBRWLBJHGCORC-INIZCTEOSA-N 1 1 368.437 3.011 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)C[C@H]1C ZINC000413501586 499973359 /nfs/dbraw/zinc/97/33/59/499973359.db2.gz PKRXLVITZPSLFE-ZBFHGGJFSA-N 1 1 363.458 3.327 20 5 FGBDMO O=[N+]([O-])c1cccc2c1ccn2Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000421215555 499993653 /nfs/dbraw/zinc/99/36/53/499993653.db2.gz OPLRXOVQPUSJNU-UHFFFAOYSA-N 1 1 351.406 3.430 20 5 FGBDMO Cc1cc(NC(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])n(C(C)(C)C)n1 ZINC000429259335 500036033 /nfs/dbraw/zinc/03/60/33/500036033.db2.gz XHIMMCSSDQOADJ-UHFFFAOYSA-N 1 1 373.457 3.318 20 5 FGBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](CSC)C2)c([N+](=O)[O-])c1 ZINC000429271767 500039168 /nfs/dbraw/zinc/03/91/68/500039168.db2.gz BLSJSGAPBPTEMU-OLZOCXBDSA-N 1 1 367.471 3.005 20 5 FGBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](CSC)C2)c([N+](=O)[O-])c1 ZINC000429271767 500039174 /nfs/dbraw/zinc/03/91/74/500039174.db2.gz BLSJSGAPBPTEMU-OLZOCXBDSA-N 1 1 367.471 3.005 20 5 FGBDMO C[C@@H]1CN(CCC[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000417336404 500043458 /nfs/dbraw/zinc/04/34/58/500043458.db2.gz VEOGWWUBXKFSQW-OXQOHEQNSA-N 1 1 361.486 3.453 20 5 FGBDMO CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425424273 500101187 /nfs/dbraw/zinc/10/11/87/500101187.db2.gz WNJGGHDXWLEQNZ-UKRRQHHQSA-N 1 1 357.248 3.483 20 5 FGBDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425424273 500101191 /nfs/dbraw/zinc/10/11/91/500101191.db2.gz WNJGGHDXWLEQNZ-UKRRQHHQSA-N 1 1 357.248 3.483 20 5 FGBDMO C[C@H]1CC[C@H]([N@@H+](CCO)Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425440742 500106824 /nfs/dbraw/zinc/10/68/24/500106824.db2.gz HDTPUZSIAVETMD-FZMZJTMJSA-N 1 1 357.248 3.340 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425551520 500142709 /nfs/dbraw/zinc/14/27/09/500142709.db2.gz JSQCPNBHOYHIKZ-KSSFIOAISA-N 1 1 373.453 3.203 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425549963 500143075 /nfs/dbraw/zinc/14/30/75/500143075.db2.gz HZLQBBCNSWXYIE-IBGZPJMESA-N 1 1 373.453 3.123 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425549963 500143080 /nfs/dbraw/zinc/14/30/80/500143080.db2.gz HZLQBBCNSWXYIE-IBGZPJMESA-N 1 1 373.453 3.123 20 5 FGBDMO CC(C)(C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000429912657 500166097 /nfs/dbraw/zinc/16/60/97/500166097.db2.gz XPIFAQSECKCZQG-QGZVFWFLSA-N 1 1 367.449 3.263 20 5 FGBDMO COc1ccc(C[N@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000430297751 500223273 /nfs/dbraw/zinc/22/32/73/500223273.db2.gz GAQQGFPQIUULGX-MRXNPFEDSA-N 1 1 369.421 3.088 20 5 FGBDMO Cc1c(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cccc1[N+](=O)[O-] ZINC000423081845 500339892 /nfs/dbraw/zinc/33/98/92/500339892.db2.gz VTDRRRGANALBPK-XLIONFOSSA-N 1 1 353.422 3.249 20 5 FGBDMO CN(C(=O)C[N@@H+]1CCC[C@@H](Oc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000419315103 500352585 /nfs/dbraw/zinc/35/25/85/500352585.db2.gz NVLNYEWVYGVYKP-LJQANCHMSA-N 1 1 369.421 3.101 20 5 FGBDMO CN(C(=O)C[N@H+]1CCC[C@@H](Oc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000419315103 500352589 /nfs/dbraw/zinc/35/25/89/500352589.db2.gz NVLNYEWVYGVYKP-LJQANCHMSA-N 1 1 369.421 3.101 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CCSC[C@@H]2C2CCC2)cccc1[N+](=O)[O-] ZINC000419377234 500358397 /nfs/dbraw/zinc/35/83/97/500358397.db2.gz UCZCZGFSPAFBSM-QGZVFWFLSA-N 1 1 363.483 3.449 20 5 FGBDMO CN(C(=O)C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000420937780 500536335 /nfs/dbraw/zinc/53/63/35/500536335.db2.gz AAQSOOIHPVPBRA-LBPRGKRZSA-N 1 1 359.348 3.222 20 5 FGBDMO CN(C(=O)C[N@H+]1CCC[C@@H](CC(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000420937780 500536337 /nfs/dbraw/zinc/53/63/37/500536337.db2.gz AAQSOOIHPVPBRA-LBPRGKRZSA-N 1 1 359.348 3.222 20 5 FGBDMO COc1cc(C[N@H+]2CCCC[C@@H]2C[C@H](C)O)c([N+](=O)[O-])cc1OC(F)F ZINC000447844238 500676624 /nfs/dbraw/zinc/67/66/24/500676624.db2.gz PLZFUDOISBAOAW-WCQYABFASA-N 1 1 374.384 3.330 20 5 FGBDMO CC(C)(C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000448282679 500743418 /nfs/dbraw/zinc/74/34/18/500743418.db2.gz VAYZWRSOIARYDV-KXBFYZLASA-N 1 1 371.481 3.348 20 5 FGBDMO Cc1ccc([C@@H](C)NC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000433900879 500762129 /nfs/dbraw/zinc/76/21/29/500762129.db2.gz KPMWGIXDQOSYFK-RHSMWYFYSA-N 1 1 360.458 3.280 20 5 FGBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000438286855 500763331 /nfs/dbraw/zinc/76/33/31/500763331.db2.gz VAWFCHRZOKVUAT-OAHLLOKOSA-N 1 1 373.453 3.132 20 5 FGBDMO CC(C)NC(=O)c1ccc(NCC[N@H+]2CCCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000443957186 500783631 /nfs/dbraw/zinc/78/36/31/500783631.db2.gz KKGSZLVONCWQRR-UHFFFAOYSA-N 1 1 362.474 3.267 20 5 FGBDMO Cc1sc(C(=O)NCc2ccc(C)[nH+]c2N2CCCC2)cc1[N+](=O)[O-] ZINC000611582296 506222232 /nfs/dbraw/zinc/22/22/32/506222232.db2.gz YDYRSTOGLNCZJI-UHFFFAOYSA-N 1 1 360.439 3.198 20 5 FGBDMO Cc1ccccc1C[NH+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000439071939 500852938 /nfs/dbraw/zinc/85/29/38/500852938.db2.gz WRYZKFTYPNDKME-UHFFFAOYSA-N 1 1 367.449 3.099 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C)[nH+]c2N2CCCC2)c1 ZINC000611582288 506221560 /nfs/dbraw/zinc/22/15/60/506221560.db2.gz WMFUOEZJRMCADC-UHFFFAOYSA-N 1 1 354.410 3.137 20 5 FGBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCSC(C)(C)CC2)c([N+](=O)[O-])c1 ZINC000434663645 500875430 /nfs/dbraw/zinc/87/54/30/500875430.db2.gz GNOUGQACFSMCSD-GFCCVEGCSA-N 1 1 367.471 3.148 20 5 FGBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCSC(C)(C)CC2)c([N+](=O)[O-])c1 ZINC000434663645 500875432 /nfs/dbraw/zinc/87/54/32/500875432.db2.gz GNOUGQACFSMCSD-GFCCVEGCSA-N 1 1 367.471 3.148 20 5 FGBDMO C[N@@H+](Cc1cc(Cl)ccc1F)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000444703029 500883754 /nfs/dbraw/zinc/88/37/54/500883754.db2.gz KHQUWKRGQRXMPM-OAHLLOKOSA-N 1 1 368.792 3.259 20 5 FGBDMO C[N@H+](Cc1cc(Cl)ccc1F)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000444703029 500883757 /nfs/dbraw/zinc/88/37/57/500883757.db2.gz KHQUWKRGQRXMPM-OAHLLOKOSA-N 1 1 368.792 3.259 20 5 FGBDMO Cc1cc(C[N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)ccc1F ZINC000444746836 500892860 /nfs/dbraw/zinc/89/28/60/500892860.db2.gz WOLSRSZBROTFGB-UHFFFAOYSA-N 1 1 357.385 3.063 20 5 FGBDMO Cc1cc(C[N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)ccc1F ZINC000444746836 500892862 /nfs/dbraw/zinc/89/28/62/500892862.db2.gz WOLSRSZBROTFGB-UHFFFAOYSA-N 1 1 357.385 3.063 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCCOCc1ccccc1 ZINC000439485481 500904918 /nfs/dbraw/zinc/90/49/18/500904918.db2.gz IGLAXGFMPGRACW-INIZCTEOSA-N 1 1 371.437 3.461 20 5 FGBDMO C[C@@H]([NH2+]Cc1cc(C(=O)OC(C)(C)C)nn1C)c1ccccc1[N+](=O)[O-] ZINC000602584223 506224251 /nfs/dbraw/zinc/22/42/51/506224251.db2.gz YMQCREBKCGFVHR-GFCCVEGCSA-N 1 1 360.414 3.134 20 5 FGBDMO C[C@H](CN1CCOCC1)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000435046483 500926064 /nfs/dbraw/zinc/92/60/64/500926064.db2.gz SHEPSUAJVXPVAX-OAHLLOKOSA-N 1 1 359.426 3.007 20 5 FGBDMO COc1ccc(-c2ccc(CN(C)[C@H]3CCC[NH2+]CC3)o2)c([N+](=O)[O-])c1 ZINC000435445456 500979767 /nfs/dbraw/zinc/97/97/67/500979767.db2.gz FLZWNFWACGCUIQ-AWEZNQCLSA-N 1 1 359.426 3.437 20 5 FGBDMO O=[N+]([O-])c1cccc2ncnc(NC[C@H]3CCC[N@H+]3C3CCCCC3)c21 ZINC000435582239 500995852 /nfs/dbraw/zinc/99/58/52/500995852.db2.gz BZKJJDVRPCRXNB-OAHLLOKOSA-N 1 1 355.442 3.169 20 5 FGBDMO CS[C@H]1CN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C[C@@H]1[NH+]1CCCC1 ZINC000445606573 501009854 /nfs/dbraw/zinc/00/98/54/501009854.db2.gz DFBRWBCTPSKVJZ-OALUTQOASA-N 1 1 372.494 3.467 20 5 FGBDMO CCO[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000449501742 501019505 /nfs/dbraw/zinc/01/95/05/501019505.db2.gz WBPKKNZAHKMYHJ-KBXCAEBGSA-N 1 1 358.442 3.242 20 5 FGBDMO C[C@H]1CN(CC(F)(F)F)CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000449661484 501053009 /nfs/dbraw/zinc/05/30/09/501053009.db2.gz CDFLBHROTIBOGC-KXQLTZBTSA-N 1 1 357.376 3.424 20 5 FGBDMO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000449661484 501053011 /nfs/dbraw/zinc/05/30/11/501053011.db2.gz CDFLBHROTIBOGC-KXQLTZBTSA-N 1 1 357.376 3.424 20 5 FGBDMO COc1ccc(OCC[N@@H+]2CC(C)(C)O[C@@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000440967274 501069427 /nfs/dbraw/zinc/06/94/27/501069427.db2.gz SVYVOPVACDAHHD-RHSMWYFYSA-N 1 1 350.415 3.014 20 5 FGBDMO COc1ccc(OCC[N@H+]2CC(C)(C)O[C@@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000440967274 501069429 /nfs/dbraw/zinc/06/94/29/501069429.db2.gz SVYVOPVACDAHHD-RHSMWYFYSA-N 1 1 350.415 3.014 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000449812089 501094764 /nfs/dbraw/zinc/09/47/64/501094764.db2.gz BOACCBNZOZLXSZ-KRWDZBQOSA-N 1 1 361.442 3.017 20 5 FGBDMO COc1ccc(OCC[N@@H+](C)[C@@H]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000441382342 501131378 /nfs/dbraw/zinc/13/13/78/501131378.db2.gz KNGWFZQHIOPLRT-QGZVFWFLSA-N 1 1 356.422 3.472 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cnc(-c4ccccn4)s3)nc2c1 ZINC000446847318 501173363 /nfs/dbraw/zinc/17/33/63/501173363.db2.gz LESGWTTVMOSGCE-UHFFFAOYSA-N 1 1 366.406 3.279 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000450206409 501210450 /nfs/dbraw/zinc/21/04/50/501210450.db2.gz VVIZVUCUEAUKLL-CYBMUJFWSA-N 1 1 373.375 3.464 20 5 FGBDMO Cc1nc(NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000450253871 501219868 /nfs/dbraw/zinc/21/98/68/501219868.db2.gz GJDBXYDLAHPGPE-AWEZNQCLSA-N 1 1 355.442 3.102 20 5 FGBDMO C[C@@](CO)([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1cccc(O)c1 ZINC000451043689 501241380 /nfs/dbraw/zinc/24/13/80/501241380.db2.gz UAOVJZOSUSAOPP-INIZCTEOSA-N 1 1 370.327 3.317 20 5 FGBDMO C[C@@]12C[N@@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000451359167 501274400 /nfs/dbraw/zinc/27/44/00/501274400.db2.gz CMVRKIZTALXQAK-DZASIIFFSA-N 1 1 352.394 3.289 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451361870 501275115 /nfs/dbraw/zinc/27/51/15/501275115.db2.gz GZQWOUZWPQADPG-ZCWJYCHZSA-N 1 1 371.437 3.074 20 5 FGBDMO C[N@H+]1CCC[C@@H](CCNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC000458234196 501400093 /nfs/dbraw/zinc/40/00/93/501400093.db2.gz XLJXAJSUMUIVJP-HNNXBMFYSA-N 1 1 368.437 3.119 20 5 FGBDMO COC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000452075870 501429951 /nfs/dbraw/zinc/42/99/51/501429951.db2.gz DOMHWHODOXZDRB-OLZOCXBDSA-N 1 1 369.849 3.324 20 5 FGBDMO COC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000452075870 501429953 /nfs/dbraw/zinc/42/99/53/501429953.db2.gz DOMHWHODOXZDRB-OLZOCXBDSA-N 1 1 369.849 3.324 20 5 FGBDMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000456338648 501502768 /nfs/dbraw/zinc/50/27/68/501502768.db2.gz CJRWEZNACGPZHI-UONOGXRCSA-N 1 1 351.472 3.018 20 5 FGBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000456338648 501502771 /nfs/dbraw/zinc/50/27/71/501502771.db2.gz CJRWEZNACGPZHI-UONOGXRCSA-N 1 1 351.472 3.018 20 5 FGBDMO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000454727213 501616438 /nfs/dbraw/zinc/61/64/38/501616438.db2.gz OUMNCUNATNGTAG-GDIGMMSISA-N 1 1 368.437 3.400 20 5 FGBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000457087551 501648212 /nfs/dbraw/zinc/64/82/12/501648212.db2.gz PZBMKQAZCZVBCA-UKRRQHHQSA-N 1 1 351.472 3.017 20 5 FGBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](CCSC2CCCCC2)CC1 ZINC000459513071 501666907 /nfs/dbraw/zinc/66/69/07/501666907.db2.gz QZKVSDPIFUDVEU-UHFFFAOYSA-N 1 1 350.488 3.178 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000459575749 501679654 /nfs/dbraw/zinc/67/96/54/501679654.db2.gz KOYVLPQBPFCVKF-IBGZPJMESA-N 1 1 353.422 3.374 20 5 FGBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC3(CCCCC3)[C@H]2c2ccccc2)c1 ZINC000459760218 501710114 /nfs/dbraw/zinc/71/01/14/501710114.db2.gz WPYFPYFTZYOBEG-RBUKOAKNSA-N 1 1 370.453 3.160 20 5 FGBDMO CN(CCOc1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474211175 501745316 /nfs/dbraw/zinc/74/53/16/501745316.db2.gz NCWYUWSQFHTMRX-SFHVURJKSA-N 1 1 355.438 3.180 20 5 FGBDMO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000474211175 501745323 /nfs/dbraw/zinc/74/53/23/501745323.db2.gz NCWYUWSQFHTMRX-SFHVURJKSA-N 1 1 355.438 3.180 20 5 FGBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000474211175 501745327 /nfs/dbraw/zinc/74/53/27/501745327.db2.gz NCWYUWSQFHTMRX-SFHVURJKSA-N 1 1 355.438 3.180 20 5 FGBDMO C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)C1=CC[N@@H+](C)CC1 ZINC000485414585 501815753 /nfs/dbraw/zinc/81/57/53/501815753.db2.gz XNQLYVWWFAMNJI-CYBMUJFWSA-N 1 1 356.401 3.280 20 5 FGBDMO Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602731038 506276637 /nfs/dbraw/zinc/27/66/37/506276637.db2.gz HTXPEZNOJNHZFW-LJQANCHMSA-N 1 1 360.458 3.160 20 5 FGBDMO Cc1ccc([C@@H]2CC[N@@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)c(C)c1 ZINC000471022127 501895329 /nfs/dbraw/zinc/89/53/29/501895329.db2.gz LZANRRRXPFGKMX-MJGOQNOKSA-N 1 1 370.449 3.441 20 5 FGBDMO Cn1cc(C[N@@H+](CCO)CC2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000485701380 501906351 /nfs/dbraw/zinc/90/63/51/501906351.db2.gz JESYEHTYLQDARG-UHFFFAOYSA-N 1 1 372.469 3.370 20 5 FGBDMO O=C(C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)NCC1CC1 ZINC000478325571 501943638 /nfs/dbraw/zinc/94/36/38/501943638.db2.gz HONFNYPHGPRTEE-UHFFFAOYSA-N 1 1 373.384 3.142 20 5 FGBDMO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000464346122 501961848 /nfs/dbraw/zinc/96/18/48/501961848.db2.gz HMLUIMYSGDTZGT-HNNXBMFYSA-N 1 1 357.410 3.335 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@H](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000475085144 502050577 /nfs/dbraw/zinc/05/05/77/502050577.db2.gz DZIAAHUGUJIIKL-ZDUSSCGKSA-N 1 1 350.415 3.015 20 5 FGBDMO Nc1ccc(N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)nc1[N+](=O)[O-] ZINC000596169148 506291695 /nfs/dbraw/zinc/29/16/95/506291695.db2.gz QWOXFNGDDDLQCP-WMZOPIPTSA-N 1 1 367.453 3.063 20 5 FGBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461619440 502155396 /nfs/dbraw/zinc/15/53/96/502155396.db2.gz LZRNAOCKQMZSPQ-LLVKDONJSA-N 1 1 361.364 3.464 20 5 FGBDMO Cc1ccc([C@@H](C)NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000475491523 502188577 /nfs/dbraw/zinc/18/85/77/502188577.db2.gz GGKZGULSBJFALE-CRAIPNDOSA-N 1 1 353.422 3.355 20 5 FGBDMO Cc1ccc([C@@H](C)NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000475491523 502188581 /nfs/dbraw/zinc/18/85/81/502188581.db2.gz GGKZGULSBJFALE-CRAIPNDOSA-N 1 1 353.422 3.355 20 5 FGBDMO O=C(NC[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC000482906785 502213128 /nfs/dbraw/zinc/21/31/28/502213128.db2.gz SEWTXTGLXNBEGJ-GOSISDBHSA-N 1 1 367.449 3.279 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000475576860 502217579 /nfs/dbraw/zinc/21/75/79/502217579.db2.gz YPOFVXXFUMIQEJ-CQSZACIVSA-N 1 1 358.394 3.340 20 5 FGBDMO COCC[N@H+]1CCN(c2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)C[C@H]1C ZINC000461949737 502249528 /nfs/dbraw/zinc/24/95/28/502249528.db2.gz RUAAUUORMMLMBM-GFCCVEGCSA-N 1 1 361.364 3.079 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000475707391 502259355 /nfs/dbraw/zinc/25/93/55/502259355.db2.gz SLUKSJGUGAFXFI-UONOGXRCSA-N 1 1 350.415 3.015 20 5 FGBDMO CC(C)CC[C@@H]1CCC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000486789815 502262518 /nfs/dbraw/zinc/26/25/18/502262518.db2.gz CRJHIXHFVIUZOK-ZDUSSCGKSA-N 1 1 363.414 3.163 20 5 FGBDMO CS(=O)(=O)C1(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000479474883 502270539 /nfs/dbraw/zinc/27/05/39/502270539.db2.gz FJCVXXXMIOHWHL-SFHVURJKSA-N 1 1 374.462 3.241 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000483113920 502278128 /nfs/dbraw/zinc/27/81/28/502278128.db2.gz BQCDGUDWYCYBBR-AWEZNQCLSA-N 1 1 373.384 3.171 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000483113920 502278132 /nfs/dbraw/zinc/27/81/32/502278132.db2.gz BQCDGUDWYCYBBR-AWEZNQCLSA-N 1 1 373.384 3.171 20 5 FGBDMO Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000462163473 502330474 /nfs/dbraw/zinc/33/04/74/502330474.db2.gz KGVZGCBMBHGADL-HNAYVOBHSA-N 1 1 353.422 3.154 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000462169428 502332247 /nfs/dbraw/zinc/33/22/47/502332247.db2.gz ZXSUJMCDWMCVBR-MAUKXSAKSA-N 1 1 353.422 3.154 20 5 FGBDMO CC(C)N(C)c1ccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000483269215 502334193 /nfs/dbraw/zinc/33/41/93/502334193.db2.gz QWZBFOIDEUTVBL-UHFFFAOYSA-N 1 1 369.469 3.157 20 5 FGBDMO Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000462198478 502345375 /nfs/dbraw/zinc/34/53/75/502345375.db2.gz JGROLRORICEFLL-MAUKXSAKSA-N 1 1 353.422 3.154 20 5 FGBDMO COc1ccc(NC(=O)CC[N@H+]2Cc3ccc(C)cc3C2)c([N+](=O)[O-])c1 ZINC000483336869 502354417 /nfs/dbraw/zinc/35/44/17/502354417.db2.gz MSCMFMUQHLCFTQ-UHFFFAOYSA-N 1 1 355.394 3.256 20 5 FGBDMO Cc1c(CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000479727801 502358236 /nfs/dbraw/zinc/35/82/36/502358236.db2.gz BYTFOJGPRNZCAS-IEBWSBKVSA-N 1 1 368.437 3.148 20 5 FGBDMO Cc1c(CNC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000479727800 502358446 /nfs/dbraw/zinc/35/84/46/502358446.db2.gz BYTFOJGPRNZCAS-HKUYNNGSSA-N 1 1 368.437 3.148 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000480208524 502502048 /nfs/dbraw/zinc/50/20/48/502502048.db2.gz WULKMYKLXKIHLN-GOEBONIOSA-N 1 1 369.421 3.420 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000480208524 502502053 /nfs/dbraw/zinc/50/20/53/502502053.db2.gz WULKMYKLXKIHLN-GOEBONIOSA-N 1 1 369.421 3.420 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000480207318 502502546 /nfs/dbraw/zinc/50/25/46/502502546.db2.gz SJOKCEOCBKJAMS-HNNXBMFYSA-N 1 1 355.394 3.031 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000480207318 502502551 /nfs/dbraw/zinc/50/25/51/502502551.db2.gz SJOKCEOCBKJAMS-HNNXBMFYSA-N 1 1 355.394 3.031 20 5 FGBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000462695562 502537081 /nfs/dbraw/zinc/53/70/81/502537081.db2.gz HQNDECZABPXGPI-LSDHHAIUSA-N 1 1 356.426 3.098 20 5 FGBDMO CC[C@H](NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000484136649 502580049 /nfs/dbraw/zinc/58/00/49/502580049.db2.gz VSURXHLCMKJNGF-SFTDATJTSA-N 1 1 369.465 3.273 20 5 FGBDMO CC[C@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000484136649 502580055 /nfs/dbraw/zinc/58/00/55/502580055.db2.gz VSURXHLCMKJNGF-SFTDATJTSA-N 1 1 369.465 3.273 20 5 FGBDMO Cc1ccc([C@@H](C)[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000484160444 502589597 /nfs/dbraw/zinc/58/95/97/502589597.db2.gz HUQKOSQFYGWILI-DYESRHJHSA-N 1 1 369.465 3.191 20 5 FGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000602842246 506323162 /nfs/dbraw/zinc/32/31/62/506323162.db2.gz RDHJZZLKBNCKTP-JTQLQIEISA-N 1 1 362.821 3.322 20 5 FGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000602842246 506323168 /nfs/dbraw/zinc/32/31/68/506323168.db2.gz RDHJZZLKBNCKTP-JTQLQIEISA-N 1 1 362.821 3.322 20 5 FGBDMO COCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[C@H]1C ZINC000488008928 502598781 /nfs/dbraw/zinc/59/87/81/502598781.db2.gz MLENDNYAPKHSCH-WBMJQRKESA-N 1 1 369.849 3.324 20 5 FGBDMO O=[N+]([O-])c1ccc2c(c1N1C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C1)CCN2 ZINC000480572680 502607368 /nfs/dbraw/zinc/60/73/68/502607368.db2.gz FEBXIYHACKHVLY-CALCHBBNSA-N 1 1 364.449 3.131 20 5 FGBDMO C[C@@H]1[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000484333778 502627070 /nfs/dbraw/zinc/62/70/70/502627070.db2.gz BBCFZTQAFMRXCW-DNVCBOLYSA-N 1 1 368.437 3.057 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000484639284 502691778 /nfs/dbraw/zinc/69/17/78/502691778.db2.gz OKIPUODJCKWJMZ-UHFFFAOYSA-N 1 1 371.437 3.374 20 5 FGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(Cc2cc(C)on2)CC1 ZINC000470170833 502691899 /nfs/dbraw/zinc/69/18/99/502691899.db2.gz AVQITEKBGIECAX-GDNBJRDFSA-N 1 1 356.426 3.112 20 5 FGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000470170776 502692127 /nfs/dbraw/zinc/69/21/27/502692127.db2.gz AFJVQUACAJTAMJ-XSVZSIDJSA-N 1 1 357.454 3.333 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(Cc2cscn2)CC1 ZINC000470174934 502694943 /nfs/dbraw/zinc/69/49/43/502694943.db2.gz ODADPEUHRBVNEV-OQLLNIDSSA-N 1 1 358.467 3.272 20 5 FGBDMO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)[nH]1 ZINC000488483614 502728237 /nfs/dbraw/zinc/72/82/37/502728237.db2.gz JCSUSOJNXRGGFU-YNEHKIRRSA-N 1 1 374.445 3.294 20 5 FGBDMO CC[N@H+]1CCCN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C)C1 ZINC000596268893 506334600 /nfs/dbraw/zinc/33/46/00/506334600.db2.gz NACMMLQNARFRFY-OAHLLOKOSA-N 1 1 355.442 3.281 20 5 FGBDMO C[C@@H]1C[C@@H](c2ccccc2)[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000513247491 502888783 /nfs/dbraw/zinc/88/87/83/502888783.db2.gz QFOBUKCSKIAPAV-SUMDDJOVSA-N 1 1 356.422 3.418 20 5 FGBDMO COc1cc(C[NH+]2CCC(C(=O)OC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000489204870 502900317 /nfs/dbraw/zinc/90/03/17/502900317.db2.gz JUNNCLPHZSQYSK-UHFFFAOYSA-N 1 1 350.415 3.157 20 5 FGBDMO COc1cc(C[N@@H+]2CCCN(c3ccccc3F)CC2)ccc1[N+](=O)[O-] ZINC000513375819 502918802 /nfs/dbraw/zinc/91/88/02/502918802.db2.gz KRCPRCLAZDDVHN-UHFFFAOYSA-N 1 1 359.401 3.455 20 5 FGBDMO COc1cc(C[N@H+]2CCCN(c3ccccc3F)CC2)ccc1[N+](=O)[O-] ZINC000513375819 502918806 /nfs/dbraw/zinc/91/88/06/502918806.db2.gz KRCPRCLAZDDVHN-UHFFFAOYSA-N 1 1 359.401 3.455 20 5 FGBDMO CN(Cc1c(F)cccc1[N+](=O)[O-])CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501047230 502921574 /nfs/dbraw/zinc/92/15/74/502921574.db2.gz NMKUFIYJZKSREJ-UHFFFAOYSA-N 1 1 358.417 3.477 20 5 FGBDMO C[C@@H]1COc2ccccc2C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501053498 502922797 /nfs/dbraw/zinc/92/27/97/502922797.db2.gz KUSNTEOGBOCYMZ-CQSZACIVSA-N 1 1 355.394 3.207 20 5 FGBDMO O=C(CC[N@H+]1CC[C@H](COc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000501058254 502924092 /nfs/dbraw/zinc/92/40/92/502924092.db2.gz IYRBIHLMRFVTAE-INIZCTEOSA-N 1 1 369.421 3.324 20 5 FGBDMO COc1ccccc1C[NH+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000513412063 502931052 /nfs/dbraw/zinc/93/10/52/502931052.db2.gz TWVVTAGPTXJVMG-TWGQIWQCSA-N 1 1 367.449 3.434 20 5 FGBDMO CCc1ccc([C@H]2CN(C(=O)CCc3cccc([N+](=O)[O-])c3)CC[NH2+]2)cc1 ZINC000505559436 502936209 /nfs/dbraw/zinc/93/62/09/502936209.db2.gz VICSZQODWPLGHU-HXUWFJFHSA-N 1 1 367.449 3.263 20 5 FGBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1OCCc2ccccc21 ZINC000501164072 502952125 /nfs/dbraw/zinc/95/21/25/502952125.db2.gz QLELZRNUXYZDHT-LJQANCHMSA-N 1 1 369.421 3.169 20 5 FGBDMO COc1ccc(CCC[N@@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 ZINC000497471947 502966895 /nfs/dbraw/zinc/96/68/95/502966895.db2.gz ITQVAZBATKYDHN-UHFFFAOYSA-N 1 1 371.437 3.415 20 5 FGBDMO COc1ccc(OCC[N@H+]2CCc3cccc(OC)c3CC2)c([N+](=O)[O-])c1 ZINC000489474926 502967856 /nfs/dbraw/zinc/96/78/56/502967856.db2.gz LKMULYGGLIPENC-UHFFFAOYSA-N 1 1 372.421 3.092 20 5 FGBDMO CC[NH+](CC)CCOc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000505746758 502977088 /nfs/dbraw/zinc/97/70/88/502977088.db2.gz AHMUSKZONOLDSG-UHFFFAOYSA-N 1 1 373.409 3.273 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505835586 502996516 /nfs/dbraw/zinc/99/65/16/502996516.db2.gz YBZLRQYKCAQZOH-INIZCTEOSA-N 1 1 369.421 3.243 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505835586 502996519 /nfs/dbraw/zinc/99/65/19/502996519.db2.gz YBZLRQYKCAQZOH-INIZCTEOSA-N 1 1 369.421 3.243 20 5 FGBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000509889170 503005459 /nfs/dbraw/zinc/00/54/59/503005459.db2.gz WZQOXZWXQLYUHQ-JTQLQIEISA-N 1 1 372.263 3.126 20 5 FGBDMO COc1cc(C[N@@H+](CCO)[C@@H]2CCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000490007295 503088643 /nfs/dbraw/zinc/08/86/43/503088643.db2.gz UXVZUTDREWHETK-GOSISDBHSA-N 1 1 356.422 3.475 20 5 FGBDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501957529 503115631 /nfs/dbraw/zinc/11/56/31/503115631.db2.gz YFILOGNBBIAQNW-QGZVFWFLSA-N 1 1 371.437 3.113 20 5 FGBDMO O=C(c1cc(NC[C@H]2CC[N@H+]2C2CCCC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000599163137 506352670 /nfs/dbraw/zinc/35/26/70/506352670.db2.gz BQDDBDHWTMBOEX-QGZVFWFLSA-N 1 1 372.469 3.260 20 5 FGBDMO CC(C)(NC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000490382920 503165360 /nfs/dbraw/zinc/16/53/60/503165360.db2.gz WZPZBEKQRCZQTQ-HNNXBMFYSA-N 1 1 360.458 3.146 20 5 FGBDMO C[C@H](C(=O)N1CCc2sccc2C1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511081988 503249550 /nfs/dbraw/zinc/24/95/50/503249550.db2.gz PRZDHELQRGUESP-CQSZACIVSA-N 1 1 373.478 3.104 20 5 FGBDMO C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511081988 503249553 /nfs/dbraw/zinc/24/95/53/503249553.db2.gz PRZDHELQRGUESP-CQSZACIVSA-N 1 1 373.478 3.104 20 5 FGBDMO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511110757 503257597 /nfs/dbraw/zinc/25/75/97/503257597.db2.gz RTQVWITXKBZOJT-OAHLLOKOSA-N 1 1 371.437 3.413 20 5 FGBDMO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511110757 503257600 /nfs/dbraw/zinc/25/76/00/503257600.db2.gz RTQVWITXKBZOJT-OAHLLOKOSA-N 1 1 371.437 3.413 20 5 FGBDMO CCC[N@@H+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000515129518 503276720 /nfs/dbraw/zinc/27/67/20/503276720.db2.gz ZJRXKXUAKJIHKU-HNNXBMFYSA-N 1 1 362.474 3.363 20 5 FGBDMO C[C@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511252041 503287747 /nfs/dbraw/zinc/28/77/47/503287747.db2.gz KJIYDUDOGDONIN-KBPBESRZSA-N 1 1 370.453 3.459 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000511363782 503307186 /nfs/dbraw/zinc/30/71/86/503307186.db2.gz VNCNNOJRTPRVIW-CYBMUJFWSA-N 1 1 363.483 3.476 20 5 FGBDMO Cn1ccnc1[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000515308589 503311597 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KBUSGXXWIVMJLE-INIZCTEOSA-N 1 1 360.458 3.163 20 5 FGBDMO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCCN(c2cccnn2)C1 ZINC000493891340 503454055 /nfs/dbraw/zinc/45/40/55/503454055.db2.gz MAWDKQNNNHWMBC-CYBMUJFWSA-N 1 1 361.833 3.139 20 5 FGBDMO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCCN(c2cccnn2)C1 ZINC000493891340 503454057 /nfs/dbraw/zinc/45/40/57/503454057.db2.gz MAWDKQNNNHWMBC-CYBMUJFWSA-N 1 1 361.833 3.139 20 5 FGBDMO CC[N@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000593068785 506373083 /nfs/dbraw/zinc/37/30/83/506373083.db2.gz PIFASFHVKBOKMG-GFCCVEGCSA-N 1 1 360.357 3.206 20 5 FGBDMO CC[N@@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000593068785 506373090 /nfs/dbraw/zinc/37/30/90/506373090.db2.gz PIFASFHVKBOKMG-GFCCVEGCSA-N 1 1 360.357 3.206 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC000500109414 503556323 /nfs/dbraw/zinc/55/63/23/503556323.db2.gz CMMRPCOWOJYCKP-QWHCGFSZSA-N 1 1 351.472 3.262 20 5 FGBDMO 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ZINC000533013080 503697656 /nfs/dbraw/zinc/69/76/56/503697656.db2.gz NDTHWMMJCZRPPG-GFCCVEGCSA-N 1 1 357.439 3.318 20 5 FGBDMO CCCNC(=O)CC[NH2+][C@@H](c1ccc(CC)o1)c1ccc([N+](=O)[O-])cc1 ZINC000543407511 503757142 /nfs/dbraw/zinc/75/71/42/503757142.db2.gz VPSCINGZSJPPOH-LJQANCHMSA-N 1 1 359.426 3.346 20 5 FGBDMO CC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccc(C)cc1 ZINC000533250792 503777261 /nfs/dbraw/zinc/77/72/61/503777261.db2.gz QLRPFWIZUIHJBP-UHFFFAOYSA-N 1 1 353.422 3.314 20 5 FGBDMO CC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccc(C)cc1 ZINC000533250792 503777266 /nfs/dbraw/zinc/77/72/66/503777266.db2.gz QLRPFWIZUIHJBP-UHFFFAOYSA-N 1 1 353.422 3.314 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000533296029 503797448 /nfs/dbraw/zinc/79/74/48/503797448.db2.gz SFJYMOSHZAUGRN-NVXWUHKLSA-N 1 1 353.422 3.486 20 5 FGBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000537091389 503799272 /nfs/dbraw/zinc/79/92/72/503799272.db2.gz 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/nfs/dbraw/zinc/42/03/78/504420378.db2.gz RPSOCQHZRXMNBQ-KRWDZBQOSA-N 1 1 356.422 3.128 20 5 FGBDMO CC(C)[C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000542281047 504437799 /nfs/dbraw/zinc/43/77/99/504437799.db2.gz UAVCZWFFGVHTEE-OAHLLOKOSA-N 1 1 354.472 3.127 20 5 FGBDMO CC(C)[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000542281047 504437803 /nfs/dbraw/zinc/43/78/03/504437803.db2.gz UAVCZWFFGVHTEE-OAHLLOKOSA-N 1 1 354.472 3.127 20 5 FGBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c1 ZINC000535679772 504504725 /nfs/dbraw/zinc/50/47/25/504504725.db2.gz IMOBQUSLGOKAMO-UHFFFAOYSA-N 1 1 366.421 3.458 20 5 FGBDMO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000532124517 504541706 /nfs/dbraw/zinc/54/17/06/504541706.db2.gz PYUXAVXAPCZALU-HNNXBMFYSA-N 1 1 364.442 3.417 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C/C=C/c3ccc(F)cc3F)C2)nc1 ZINC000542702806 504582091 /nfs/dbraw/zinc/58/20/91/504582091.db2.gz 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CCOc1ccc(C[NH+]2CCN(c3nc(C)cc(C)c3[N+](=O)[O-])CC2)cc1 ZINC000542865336 504640197 /nfs/dbraw/zinc/64/01/97/504640197.db2.gz KMTYXBUZBGBXMP-UHFFFAOYSA-N 1 1 370.453 3.328 20 5 FGBDMO COc1cc(C[NH+]2CCC([C@](C)(O)C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000545932640 504644811 /nfs/dbraw/zinc/64/48/11/504644811.db2.gz YOEQZRDGPHNZBD-HNNXBMFYSA-N 1 1 362.348 3.129 20 5 FGBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000536233238 504675224 /nfs/dbraw/zinc/67/52/24/504675224.db2.gz OFANAFMEOWIRFR-QGZVFWFLSA-N 1 1 372.469 3.245 20 5 FGBDMO COc1cc(C[N@@H+](C)[C@@H]2C[C@](C)(OC)C2(C)C)c([N+](=O)[O-])cc1OC ZINC000539823032 504703525 /nfs/dbraw/zinc/70/35/25/504703525.db2.gz ZCKVPMSEKNZXPF-AEFFLSMTSA-N 1 1 352.431 3.247 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000549243681 504736615 /nfs/dbraw/zinc/73/66/15/504736615.db2.gz FCIJDJRJLWLLQE-OAHLLOKOSA-N 1 1 363.458 3.378 20 5 FGBDMO CC[N@@H+](CCC1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1)CC1CC1 ZINC000540034862 504763194 /nfs/dbraw/zinc/76/31/94/504763194.db2.gz UKOZXNMDARXFIA-UHFFFAOYSA-N 1 1 374.485 3.151 20 5 FGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(Cc2cccnc2)CC1 ZINC000540044062 504764824 /nfs/dbraw/zinc/76/48/24/504764824.db2.gz NLEMYNDPFMUIOW-HNNXBMFYSA-N 1 1 368.437 3.272 20 5 FGBDMO Cc1ccnc([C@H]2CC[N@@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)c1 ZINC000565171618 504815182 /nfs/dbraw/zinc/81/51/82/504815182.db2.gz IKJCLGMLOAEAPO-HNNXBMFYSA-N 1 1 365.393 3.338 20 5 FGBDMO CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC000562791092 504946859 /nfs/dbraw/zinc/94/68/59/504946859.db2.gz XBDMQMTVPPMRKR-UHFFFAOYSA-N 1 1 372.473 3.184 20 5 FGBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000553693588 504985106 /nfs/dbraw/zinc/98/51/06/504985106.db2.gz GBBRMXDYLIJNCS-INIZCTEOSA-N 1 1 363.461 3.286 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000566173830 505104212 /nfs/dbraw/zinc/10/42/12/505104212.db2.gz QLPXLFVYXJBBFK-CRAIPNDOSA-N 1 1 361.442 3.123 20 5 FGBDMO Cn1nccc1-c1ccccc1C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000560533824 505117485 /nfs/dbraw/zinc/11/74/85/505117485.db2.gz YEHYKEASVVQSFE-UHFFFAOYSA-N 1 1 364.405 3.390 20 5 FGBDMO Cn1nccc1-c1ccccc1C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000560533824 505117487 /nfs/dbraw/zinc/11/74/87/505117487.db2.gz YEHYKEASVVQSFE-UHFFFAOYSA-N 1 1 364.405 3.390 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CC(C)(C)[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000560556169 505125310 /nfs/dbraw/zinc/12/53/10/505125310.db2.gz JIMOKJPXBVXYHT-KRWDZBQOSA-N 1 1 350.415 3.013 20 5 FGBDMO C[C@@]1(CNc2cccc(C(N)=O)c2[N+](=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000557662341 505195864 /nfs/dbraw/zinc/19/58/64/505195864.db2.gz LURFUSNTURBFJZ-FQEVSTJZSA-N 1 1 368.437 3.160 20 5 FGBDMO CC(C)Oc1nc(N2CCC(C[N@@H+](C)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000566807250 505278166 /nfs/dbraw/zinc/27/81/66/505278166.db2.gz JQPFFKPLDKPCHH-UHFFFAOYSA-N 1 1 350.463 3.334 20 5 FGBDMO COC(=O)c1cc(C)nc(N[C@H](C)C[N@@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000558048029 505295887 /nfs/dbraw/zinc/29/58/87/505295887.db2.gz HFFHZVRNVHGQNG-CQSZACIVSA-N 1 1 372.425 3.017 20 5 FGBDMO CC[N@@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@@H](C)c1cccnc1 ZINC000567085946 505359639 /nfs/dbraw/zinc/35/96/39/505359639.db2.gz QPFOJNVTEKUAEF-AWEZNQCLSA-N 1 1 373.409 3.125 20 5 FGBDMO CNC(=O)c1ccc(NC[C@H]2CCC[N@H+]2CC2CCCCC2)c([N+](=O)[O-])c1 ZINC000561511332 505364763 /nfs/dbraw/zinc/36/47/63/505364763.db2.gz JJVQVXUACKLWGR-QGZVFWFLSA-N 1 1 374.485 3.411 20 5 FGBDMO [NH3+]C[C@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC12CCOCC2 ZINC000567166750 505382625 /nfs/dbraw/zinc/38/26/25/505382625.db2.gz MWKROPSRUDDYDN-INIZCTEOSA-N 1 1 371.437 3.042 20 5 FGBDMO Cc1cccc(C[N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)n1 ZINC000552071388 505389829 /nfs/dbraw/zinc/38/98/29/505389829.db2.gz ANMUWICLIJRSBD-UHFFFAOYSA-N 1 1 351.410 3.331 20 5 FGBDMO Cc1cccc(C[N@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)n1 ZINC000552071388 505389831 /nfs/dbraw/zinc/38/98/31/505389831.db2.gz ANMUWICLIJRSBD-UHFFFAOYSA-N 1 1 351.410 3.331 20 5 FGBDMO C[C@H]1CCC[C@](CNCCC(=O)Nc2ccccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000558573367 505427505 /nfs/dbraw/zinc/42/75/05/505427505.db2.gz JKHGDTDJUJVDBZ-KXBFYZLASA-N 1 1 362.474 3.024 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCc3ccc(F)cc3Cl)CC2)cn1 ZINC000564527077 505442242 /nfs/dbraw/zinc/44/22/42/505442242.db2.gz ASLYYKWWKFQYHG-UHFFFAOYSA-N 1 1 364.808 3.147 20 5 FGBDMO CC[C@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccccc1 ZINC000555547597 505452679 /nfs/dbraw/zinc/45/26/79/505452679.db2.gz NUVUWRZNHOLGFX-LJQANCHMSA-N 1 1 355.438 3.164 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCc2ccccc2[C@H](C)C1 ZINC000593095432 506389661 /nfs/dbraw/zinc/38/96/61/506389661.db2.gz MFYXWSOUQQNOGA-CQSZACIVSA-N 1 1 369.421 3.204 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCc2ccccc2[C@H](C)C1 ZINC000593095432 506389669 /nfs/dbraw/zinc/38/96/69/506389669.db2.gz MFYXWSOUQQNOGA-CQSZACIVSA-N 1 1 369.421 3.204 20 5 FGBDMO O=[N+]([O-])c1cccc(Cl)c1NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000596423304 506399046 /nfs/dbraw/zinc/39/90/46/506399046.db2.gz KWOPKEWEQOGGFD-HNNXBMFYSA-N 1 1 361.829 3.427 20 5 FGBDMO O=c1[nH]cnc2cc(N[C@@H]3CC[N@H+](C4CCCCC4)C3)c([N+](=O)[O-])cc21 ZINC000596480081 506426895 /nfs/dbraw/zinc/42/68/95/506426895.db2.gz VLWJVVMEGCDSGW-GFCCVEGCSA-N 1 1 357.414 3.063 20 5 FGBDMO O=[N+]([O-])c1cncc(Cl)c1NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000589111442 506445029 /nfs/dbraw/zinc/44/50/29/506445029.db2.gz KPOLPQNOCRPYAS-OAHLLOKOSA-N 1 1 360.845 3.042 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000593182573 506447288 /nfs/dbraw/zinc/44/72/88/506447288.db2.gz UUXJYDYNSLJFPJ-GOSISDBHSA-N 1 1 368.437 3.294 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000593182573 506447291 /nfs/dbraw/zinc/44/72/91/506447291.db2.gz UUXJYDYNSLJFPJ-GOSISDBHSA-N 1 1 368.437 3.294 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC(F)(F)CC1 ZINC000599551788 506497613 /nfs/dbraw/zinc/49/76/13/506497613.db2.gz BJXVXRFKJGCQKD-UHFFFAOYSA-N 1 1 357.357 3.053 20 5 FGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000589278691 506505248 /nfs/dbraw/zinc/50/52/48/506505248.db2.gz FSJDQWZGPJGOIO-FQEVSTJZSA-N 1 1 354.406 3.443 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000593342169 506557983 /nfs/dbraw/zinc/55/79/83/506557983.db2.gz MJYSVXRQXJMPGH-FQEVSTJZSA-N 1 1 353.422 3.298 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](c3ccc(OC)cc3)C2)c1 ZINC000589499385 506569565 /nfs/dbraw/zinc/56/95/65/506569565.db2.gz PKHVDVJKFDTXAN-MRXNPFEDSA-N 1 1 370.405 3.380 20 5 FGBDMO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000593402348 506601963 /nfs/dbraw/zinc/60/19/63/506601963.db2.gz GGGNLDDTKLPZTB-SFHVURJKSA-N 1 1 371.412 3.057 20 5 FGBDMO 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ZINC000590156527 506751594 /nfs/dbraw/zinc/75/15/94/506751594.db2.gz UNMOGPMJPWEJSV-GFCCVEGCSA-N 1 1 373.375 3.352 20 5 FGBDMO CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000590156527 506751601 /nfs/dbraw/zinc/75/16/01/506751601.db2.gz UNMOGPMJPWEJSV-GFCCVEGCSA-N 1 1 373.375 3.352 20 5 FGBDMO CC(C)(C)c1ccc(C(=O)N2CC[NH+](CCCF)CC2)cc1[N+](=O)[O-] ZINC000600072258 506765647 /nfs/dbraw/zinc/76/56/47/506765647.db2.gz QBLLQGIIXPECTL-UHFFFAOYSA-N 1 1 351.422 3.010 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)[C@H](C)C1 ZINC000597099877 506773635 /nfs/dbraw/zinc/77/36/35/506773635.db2.gz FREJLBOAOYOZLY-MFKMUULPSA-N 1 1 369.853 3.024 20 5 FGBDMO COc1ccc2c(c1)CCC[N@@H+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)C2 ZINC000609133868 506788268 /nfs/dbraw/zinc/78/82/68/506788268.db2.gz DNNUTOOWSUMCBY-UHFFFAOYSA-N 1 1 370.405 3.418 20 5 FGBDMO COc1ccc2c(c1)CCC[N@H+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)C2 ZINC000609133868 506788274 /nfs/dbraw/zinc/78/82/74/506788274.db2.gz 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CCC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(OC)cc1 ZINC000604492854 506849587 /nfs/dbraw/zinc/84/95/87/506849587.db2.gz IYHDUSKFKAKPMA-UHFFFAOYSA-N 1 1 357.410 3.454 20 5 FGBDMO CCC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(OC)cc1 ZINC000604492854 506849593 /nfs/dbraw/zinc/84/95/93/506849593.db2.gz IYHDUSKFKAKPMA-UHFFFAOYSA-N 1 1 357.410 3.454 20 5 FGBDMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000604495925 506851078 /nfs/dbraw/zinc/85/10/78/506851078.db2.gz RYEAMQOQNUYOGU-UHFFFAOYSA-N 1 1 351.366 3.411 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000597247996 506858167 /nfs/dbraw/zinc/85/81/67/506858167.db2.gz VMDFIWNAHJQCNX-GXDHUFHOSA-N 1 1 351.406 3.155 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000597247996 506858172 /nfs/dbraw/zinc/85/81/72/506858172.db2.gz VMDFIWNAHJQCNX-GXDHUFHOSA-N 1 1 351.406 3.155 20 5 FGBDMO O=[N+]([O-])c1cncc(Cl)c1NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000590568736 506862914 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CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000597922651 507176788 /nfs/dbraw/zinc/17/67/88/507176788.db2.gz KBJFXFANSOMWOH-CYBMUJFWSA-N 1 1 374.466 3.321 20 5 FGBDMO CCOC(=O)Cc1ccc(N[C@H]2CCC[N@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000594599986 507204529 /nfs/dbraw/zinc/20/45/29/507204529.db2.gz KXCLUNSVHRQIBR-DOTOQJQBSA-N 1 1 361.442 3.129 20 5 FGBDMO O=[N+]([O-])c1cc(Br)cnc1N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594603365 507204741 /nfs/dbraw/zinc/20/47/41/507204741.db2.gz UOFLDQZZTAEHQD-VXGBXAGGSA-N 1 1 355.236 3.181 20 5 FGBDMO O=[N+]([O-])c1cc(Br)cnc1N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594603364 507205930 /nfs/dbraw/zinc/20/59/30/507205930.db2.gz UOFLDQZZTAEHQD-RYUDHWBXSA-N 1 1 355.236 3.181 20 5 FGBDMO C[N@H+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C2(CCCCC2)C1 ZINC000610496980 507263112 /nfs/dbraw/zinc/26/31/12/507263112.db2.gz XQWLMWNXXMTLLU-UHFFFAOYSA-N 1 1 357.410 3.432 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@@H]3CCO[C@@H](c4ccccn4)C3)c2c1 ZINC000601171707 507286647 /nfs/dbraw/zinc/28/66/47/507286647.db2.gz OPUCHTOTLOBXQB-BFUOFWGJSA-N 1 1 350.378 3.292 20 5 FGBDMO COCCOc1ccccc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595011556 507353968 /nfs/dbraw/zinc/35/39/68/507353968.db2.gz FYYAIUBWEXLWGD-AWEZNQCLSA-N 1 1 360.410 3.479 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cccc(C(=O)NC2CC2)c1 ZINC000595010964 507353989 /nfs/dbraw/zinc/35/39/89/507353989.db2.gz ASYGFKGHMNZULU-ZDUSSCGKSA-N 1 1 369.421 3.346 20 5 FGBDMO CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000610770805 507383882 /nfs/dbraw/zinc/38/38/82/507383882.db2.gz GRBMABGYZNNPOB-KRWDZBQOSA-N 1 1 366.421 3.442 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000595091842 507387412 /nfs/dbraw/zinc/38/74/12/507387412.db2.gz JVWILIUHFDTKIL-KGLIPLIRSA-N 1 1 350.369 3.299 20 5 FGBDMO O=[N+]([O-])c1cnccc1N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000610807979 507398071 /nfs/dbraw/zinc/39/80/71/507398071.db2.gz CUBQVZZIODSPPM-MSOLQXFVSA-N 1 1 352.438 3.481 20 5 FGBDMO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccc([N+](=O)[O-])o1 ZINC000598396267 507407036 /nfs/dbraw/zinc/40/70/36/507407036.db2.gz ISYBORUPASNNNL-INIZCTEOSA-N 1 1 369.421 3.220 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601666250 507420805 /nfs/dbraw/zinc/42/08/05/507420805.db2.gz XVXIVMNZOWSENZ-OAHLLOKOSA-N 1 1 359.470 3.253 20 5 FGBDMO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601673868 507423675 /nfs/dbraw/zinc/42/36/75/507423675.db2.gz BMKLWYKBIZUKPN-QGZVFWFLSA-N 1 1 371.481 3.255 20 5 FGBDMO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595293724 507450971 /nfs/dbraw/zinc/45/09/71/507450971.db2.gz FLAUVPINXWKZTR-HIFRSBDPSA-N 1 1 351.422 3.251 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)c1 ZINC000598508672 507465010 /nfs/dbraw/zinc/46/50/10/507465010.db2.gz HEKYNLWDTCRKGE-HNNXBMFYSA-N 1 1 371.462 3.321 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)c1 ZINC000598508672 507465015 /nfs/dbraw/zinc/46/50/15/507465015.db2.gz HEKYNLWDTCRKGE-HNNXBMFYSA-N 1 1 371.462 3.321 20 5 FGBDMO COc1cc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3C)CC2)ccc1F ZINC000584727584 507473236 /nfs/dbraw/zinc/47/32/36/507473236.db2.gz MOHVSZVQGBCDEJ-UHFFFAOYSA-N 1 1 359.401 3.373 20 5 FGBDMO CSc1cccc(C(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000598562087 507488019 /nfs/dbraw/zinc/48/80/19/507488019.db2.gz SXYDUCZEDDJRBX-AWEZNQCLSA-N 1 1 363.483 3.169 20 5 FGBDMO Cc1ccc(C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC2CC2)cn1 ZINC000592146023 507508935 /nfs/dbraw/zinc/50/89/35/507508935.db2.gz KCHVVXWSAWMTNR-UHFFFAOYSA-N 1 1 354.410 3.149 20 5 FGBDMO Cc1ccc(C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC2CC2)cn1 ZINC000592146023 507508939 /nfs/dbraw/zinc/50/89/39/507508939.db2.gz KCHVVXWSAWMTNR-UHFFFAOYSA-N 1 1 354.410 3.149 20 5 FGBDMO Cc1noc(C[NH2+][C@]2(Cc3ccc(Cl)cc3)CCOC2)c1[N+](=O)[O-] ZINC000595476949 507518964 /nfs/dbraw/zinc/51/89/64/507518964.db2.gz QMRJKZFIHSPJAJ-INIZCTEOSA-N 1 1 351.790 3.036 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000592183468 507528191 /nfs/dbraw/zinc/52/81/91/507528191.db2.gz JEOQLBYLUVNUJG-OAHLLOKOSA-N 1 1 361.442 3.123 20 5 FGBDMO CC(=O)N1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC12CCCCC2 ZINC000611285608 507604138 /nfs/dbraw/zinc/60/41/38/507604138.db2.gz SBCWFRCTHZLIMF-CLFYSBASSA-N 1 1 357.454 3.475 20 5 FGBDMO CC(=O)N1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC12CCCCC2 ZINC000611285608 507604150 /nfs/dbraw/zinc/60/41/50/507604150.db2.gz SBCWFRCTHZLIMF-CLFYSBASSA-N 1 1 357.454 3.475 20 5 FGBDMO O=C([C@@H]1CC12CC[NH+](Cc1csc([N+](=O)[O-])c1)CC2)N1CCCCC1 ZINC000611303570 507613000 /nfs/dbraw/zinc/61/30/00/507613000.db2.gz DSZGFXXBLZLGDG-HNNXBMFYSA-N 1 1 363.483 3.271 20 5 FGBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C[C@@H]1C ZINC000611404274 507664177 /nfs/dbraw/zinc/66/41/77/507664177.db2.gz RHLHPYNZBUGUJU-ZDUSSCGKSA-N 1 1 351.472 3.262 20 5 FGBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C[C@@H]1C ZINC000611404274 507664181 /nfs/dbraw/zinc/66/41/81/507664181.db2.gz RHLHPYNZBUGUJU-ZDUSSCGKSA-N 1 1 351.472 3.262 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595786509 507683572 /nfs/dbraw/zinc/68/35/72/507683572.db2.gz ATEHEFMFXNGPDD-RKVPGOIHSA-N 1 1 361.442 3.203 20 5 FGBDMO COc1cc(CN2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000611516326 507715138 /nfs/dbraw/zinc/71/51/38/507715138.db2.gz BXGIRYNDRRMMHC-SFHVURJKSA-N 1 1 355.438 3.310 20 5 FGBDMO Cn1cc(C[N@H+](C)CCCc2cc(-c3ccc(F)cc3)no2)c([N+](=O)[O-])n1 ZINC000602457605 507716694 /nfs/dbraw/zinc/71/66/94/507716694.db2.gz HJRUTIUQDXJLNX-UHFFFAOYSA-N 1 1 373.388 3.187 20 5 FGBDMO Cn1cc(C[N@@H+](C)CCCc2cc(-c3ccc(F)cc3)no2)c([N+](=O)[O-])n1 ZINC000602457605 507716698 /nfs/dbraw/zinc/71/66/98/507716698.db2.gz HJRUTIUQDXJLNX-UHFFFAOYSA-N 1 1 373.388 3.187 20 5 FGBDMO COC1CC[NH+](CCN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000611519743 507719970 /nfs/dbraw/zinc/71/99/70/507719970.db2.gz IVNBAOMGDAXNCS-NRFANRHFSA-N 1 1 369.465 3.385 20 5 FGBDMO O=[N+]([O-])c1sc(CN[C@H]2CC[N@H+]3CCCC[C@H]23)cc1Br ZINC000602514710 507733160 /nfs/dbraw/zinc/73/31/60/507733160.db2.gz PPNRZCRPCFXWDS-NWDGAFQWSA-N 1 1 360.277 3.135 20 5 FGBDMO O=[N+]([O-])c1sc(C[NH2+][C@H]2CCN3CCCC[C@H]23)cc1Br ZINC000602514710 507733163 /nfs/dbraw/zinc/73/31/63/507733163.db2.gz PPNRZCRPCFXWDS-NWDGAFQWSA-N 1 1 360.277 3.135 20 5 FGBDMO O=[N+]([O-])c1sc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Br ZINC000602515752 507733527 /nfs/dbraw/zinc/73/35/27/507733527.db2.gz DFLZTBZKSUECKW-NXEZZACHSA-N 1 1 360.277 3.135 20 5 FGBDMO Cc1csc(CC[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)n1 ZINC000611560323 507739811 /nfs/dbraw/zinc/73/98/11/507739811.db2.gz DRNSXUWKZVCYQP-MRXNPFEDSA-N 1 1 357.439 3.015 20 5 FGBDMO Cn1cc(C(C)(C)[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)cn1 ZINC000602548919 507746489 /nfs/dbraw/zinc/74/64/89/507746489.db2.gz XAKZRUKNRXFMMM-UHFFFAOYSA-N 1 1 359.249 3.177 20 5 FGBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@]3(CC=CCC3)C2)cc1 ZINC000181884800 568123369 /nfs/dbraw/zinc/12/33/69/568123369.db2.gz WCWUOIGYJFLVPT-GOSISDBHSA-N 1 1 364.467 3.191 20 5 FGBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@]3(CC=CCC3)C2)cc1 ZINC000181884800 568123370 /nfs/dbraw/zinc/12/33/70/568123370.db2.gz WCWUOIGYJFLVPT-GOSISDBHSA-N 1 1 364.467 3.191 20 5 FGBDMO CC(C)c1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)cc1[N+](=O)[O-] ZINC000735928652 598315413 /nfs/dbraw/zinc/31/54/13/598315413.db2.gz OGBOPWFDJJNCGS-UHFFFAOYSA-N 1 1 370.388 3.327 20 5 FGBDMO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000824531348 609330268 /nfs/dbraw/zinc/33/02/68/609330268.db2.gz PCVAQDJOJDKZLU-MNOVXSKESA-N 1 1 356.361 3.326 20 5 FGBDMO C[N@H+](CCc1cccs1)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000072800770 695962815 /nfs/dbraw/zinc/96/28/15/695962815.db2.gz YARLHNXYQAZJLH-UHFFFAOYSA-N 1 1 353.831 3.423 20 5 FGBDMO C[N@@H+](CCc1cccs1)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000072800770 695962816 /nfs/dbraw/zinc/96/28/16/695962816.db2.gz YARLHNXYQAZJLH-UHFFFAOYSA-N 1 1 353.831 3.423 20 5 FGBDMO Cc1nn(C[N@H+](C)CCc2ccc(Br)cc2)c(C)c1[N+](=O)[O-] ZINC000106854524 700511306 /nfs/dbraw/zinc/51/13/06/700511306.db2.gz DMQIKZGGQVVTEH-UHFFFAOYSA-N 1 1 367.247 3.303 20 5 FGBDMO Cc1nn(C[N@@H+](C)CCc2ccc(Br)cc2)c(C)c1[N+](=O)[O-] ZINC000106854524 700511308 /nfs/dbraw/zinc/51/13/08/700511308.db2.gz DMQIKZGGQVVTEH-UHFFFAOYSA-N 1 1 367.247 3.303 20 5 FGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)c1 ZINC000136822924 704864701 /nfs/dbraw/zinc/86/47/01/704864701.db2.gz UEWYPELNQYFEGC-FUHWJXTLSA-N 1 1 362.451 3.371 20 5 FGBDMO C[N@H+](Cc1ccc(Br)o1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136929372 704866197 /nfs/dbraw/zinc/86/61/97/704866197.db2.gz HCEVEHZKAVUWFQ-CYBMUJFWSA-N 1 1 355.188 3.116 20 5 FGBDMO O=[N+]([O-])c1ccc(OC[C@H](O)C[N@H+]2CCc3ccccc3C2)cc1Cl ZINC000154646564 705043596 /nfs/dbraw/zinc/04/35/96/705043596.db2.gz KOKYYFVBQQXFPG-OAHLLOKOSA-N 1 1 362.813 3.046 20 5 FGBDMO C[N@H+]1CCC[C@H]2CN(Cn3c4cc([N+](=O)[O-])ccc4oc3=S)CC[C@@H]21 ZINC000164625458 705331186 /nfs/dbraw/zinc/33/11/86/705331186.db2.gz OXZWBJPKMMBFGW-JSGCOSHPSA-N 1 1 362.455 3.246 20 5 FGBDMO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000171668058 705392124 /nfs/dbraw/zinc/39/21/24/705392124.db2.gz OGAAFGXSVXYHGQ-GFCCVEGCSA-N 1 1 353.394 3.081 20 5 FGBDMO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000171668058 705392128 /nfs/dbraw/zinc/39/21/28/705392128.db2.gz OGAAFGXSVXYHGQ-GFCCVEGCSA-N 1 1 353.394 3.081 20 5 FGBDMO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@H](O)c3cccc(Cl)c3)CC2)c1 ZINC000174734776 705516401 /nfs/dbraw/zinc/51/64/01/705516401.db2.gz LMMHCPNZHHENRJ-SFHVURJKSA-N 1 1 361.829 3.104 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCSC2(CCCCC2)C1 ZINC000182252493 705832296 /nfs/dbraw/zinc/83/22/96/705832296.db2.gz DLMUKNXTWWBOID-OAHLLOKOSA-N 1 1 366.483 3.086 20 5 FGBDMO Cc1nc(CO[C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)cs1 ZINC000374903437 713952576 /nfs/dbraw/zinc/95/25/76/713952576.db2.gz PDMNEBLWQUJCKZ-AWEZNQCLSA-N 1 1 351.403 3.290 20 5 FGBDMO Cc1nc(CO[C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)cs1 ZINC000374903437 713952577 /nfs/dbraw/zinc/95/25/77/713952577.db2.gz PDMNEBLWQUJCKZ-AWEZNQCLSA-N 1 1 351.403 3.290 20 5 FGBDMO CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCOC(C)(C)C1 ZINC000521943912 714158290 /nfs/dbraw/zinc/15/82/90/714158290.db2.gz XMWCGFSWIMGDHX-ZDUSSCGKSA-N 1 1 369.849 3.466 20 5 FGBDMO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCCC[C@H]1C ZINC000522743252 714204079 /nfs/dbraw/zinc/20/40/79/714204079.db2.gz LCUVAPZRAMKCCW-CHWSQXEVSA-N 1 1 353.850 3.170 20 5 FGBDMO Cc1ccc(N2CC[C@@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])c1Br ZINC000804579895 724530686 /nfs/dbraw/zinc/53/06/86/724530686.db2.gz VGIBKUSUMRBSFQ-LLVKDONJSA-N 1 1 365.231 3.393 20 5 FGBDMO O=[N+]([O-])c1ccc(Br)c2c1CN(c1[nH+]cnc3[nH]ccc31)CC2 ZINC000804702847 724543625 /nfs/dbraw/zinc/54/36/25/724543625.db2.gz IEVNHPIFIUXVCN-UHFFFAOYSA-N 1 1 374.198 3.191 20 5 FGBDMO CN(c1cc(Br)ccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000804815055 724553006 /nfs/dbraw/zinc/55/30/06/724553006.db2.gz NBMAQMOKXKIZQH-FUNVUKJBSA-N 1 1 354.248 3.419 20 5 FGBDMO Cc1cc(N2CC3(C2)CC[N@@H+](CC2CC2)C3)nc2ccc([N+](=O)[O-])cc12 ZINC001164766323 721284011 /nfs/dbraw/zinc/28/40/11/721284011.db2.gz CYVYMUMUUFPXQL-UHFFFAOYSA-N 1 1 352.438 3.374 20 5 FGBDMO CCN(CC)C(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000783550744 724764619 /nfs/dbraw/zinc/76/46/19/724764619.db2.gz QKDHQCIMPGMZOT-UHFFFAOYSA-N 1 1 353.850 3.329 20 5 FGBDMO Cc1ccnc(Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)c1[N+](=O)[O-] ZINC000734479030 722507699 /nfs/dbraw/zinc/50/76/99/722507699.db2.gz ATHBSIGRMGZTIJ-UHFFFAOYSA-N 1 1 361.833 3.447 20 5 FGBDMO CC(C)CNC(=O)C1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000746653740 722612285 /nfs/dbraw/zinc/61/22/85/722612285.db2.gz FSBCZQCTUWQQNG-UHFFFAOYSA-N 1 1 353.850 3.232 20 5 FGBDMO O=C(C[N@@H+]1CCC[C@@]2(CCCOC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000747846271 722663184 /nfs/dbraw/zinc/66/31/84/722663184.db2.gz JZUDKWFCVFRQNW-QGZVFWFLSA-N 1 1 367.833 3.079 20 5 FGBDMO O=C(C[N@H+]1CCC[C@@]2(CCCOC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000747846271 722663186 /nfs/dbraw/zinc/66/31/86/722663186.db2.gz JZUDKWFCVFRQNW-QGZVFWFLSA-N 1 1 367.833 3.079 20 5 FGBDMO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000749264287 722722409 /nfs/dbraw/zinc/72/24/09/722722409.db2.gz YYKGXJIODJQQRV-INIZCTEOSA-N 1 1 351.834 3.271 20 5 FGBDMO Cc1cc(F)cc(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)c1[N+](=O)[O-] ZINC000758452031 722989995 /nfs/dbraw/zinc/98/99/95/722989995.db2.gz BPLSSPHOTWZTKI-UHFFFAOYSA-N 1 1 351.422 3.235 20 5 FGBDMO CC(C)(C)[N@H+]1CCCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000790599095 723156610 /nfs/dbraw/zinc/15/66/10/723156610.db2.gz RWXHTCYCHYGEQH-UHFFFAOYSA-N 1 1 371.840 3.263 20 5 FGBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000765473859 723515980 /nfs/dbraw/zinc/51/59/80/723515980.db2.gz AQNLWGXDEWQACI-LBPRGKRZSA-N 1 1 353.850 3.489 20 5 FGBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000765482248 723516690 /nfs/dbraw/zinc/51/66/90/723516690.db2.gz FFTBVIIHZLHQSL-XQQFMLRXSA-N 1 1 353.850 3.344 20 5 FGBDMO CSC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000795598296 723601192 /nfs/dbraw/zinc/60/11/92/723601192.db2.gz HGXGMWVKMVWTQX-NSHDSACASA-N 1 1 357.863 3.262 20 5 FGBDMO CSC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000795598296 723601194 /nfs/dbraw/zinc/60/11/94/723601194.db2.gz HGXGMWVKMVWTQX-NSHDSACASA-N 1 1 357.863 3.262 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CCN(c3cc[nH+]cc3Br)CC2)cc1 ZINC000768493874 723659262 /nfs/dbraw/zinc/65/92/62/723659262.db2.gz NDUKPCJIKDMRQZ-UHFFFAOYSA-N 1 1 363.215 3.079 20 5 FGBDMO CCCN(C(=S)NC[C@H]1CCC[N@H+]1CC)c1cccc([N+](=O)[O-])c1 ZINC000799507799 724036718 /nfs/dbraw/zinc/03/67/18/724036718.db2.gz QPMWGBGWKQGMFM-MRXNPFEDSA-N 1 1 350.488 3.170 20 5 FGBDMO C[N@H+](Cc1ccc(Br)o1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776278133 724127569 /nfs/dbraw/zinc/12/75/69/724127569.db2.gz SIESEUYULTUSDG-CYBMUJFWSA-N 1 1 355.188 3.116 20 5 FGBDMO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591547 724163056 /nfs/dbraw/zinc/16/30/56/724163056.db2.gz JQVVVSOUYGUCCT-XMRYCRAHSA-N 1 1 362.451 3.059 20 5 FGBDMO C[C@H](CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@@H]1C ZINC000777945151 724273774 /nfs/dbraw/zinc/27/37/74/724273774.db2.gz XWCBUEZMFZWOTI-QWHCGFSZSA-N 1 1 355.385 3.066 20 5 FGBDMO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000809696269 725259447 /nfs/dbraw/zinc/25/94/47/725259447.db2.gz GHIOAQOXKKXKCU-DRDHIDPGSA-N 1 1 358.316 3.035 20 5 FGBDMO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000809696269 725259450 /nfs/dbraw/zinc/25/94/50/725259450.db2.gz GHIOAQOXKKXKCU-DRDHIDPGSA-N 1 1 358.316 3.035 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000810836597 725330007 /nfs/dbraw/zinc/33/00/07/725330007.db2.gz GYLVXEKIOSMBJZ-OCCSQVGLSA-N 1 1 350.440 3.490 20 5 FGBDMO CN(C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H]1CC[N@H+](C2CC2)C1 ZINC000812992371 726827749 /nfs/dbraw/zinc/82/77/49/726827749.db2.gz DFZYPWJFAQGZKT-NSHDSACASA-N 1 1 358.225 3.210 20 5 FGBDMO O=C(CC1CCSCC1)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171286 726846296 /nfs/dbraw/zinc/84/62/96/726846296.db2.gz RTCKGIYCYUVRLP-KRWDZBQOSA-N 1 1 364.467 3.246 20 5 FGBDMO O=C(CC1CCSCC1)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171286 726846302 /nfs/dbraw/zinc/84/63/02/726846302.db2.gz RTCKGIYCYUVRLP-KRWDZBQOSA-N 1 1 364.467 3.246 20 5 FGBDMO Cc1ccc(N2CC[C@@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])c1Br ZINC000813634049 726900247 /nfs/dbraw/zinc/90/02/47/726900247.db2.gz BNMJFCXOHCZNLV-OAHLLOKOSA-N 1 1 354.248 3.198 20 5 FGBDMO Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000822813643 729222082 /nfs/dbraw/zinc/22/20/82/729222082.db2.gz XYOXKSNAQQAODO-SECBINFHSA-N 1 1 353.220 3.250 20 5 FGBDMO C[C@@H]1Cc2[nH+]cn(CC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])c2C[C@@H]1C ZINC000839612906 730136183 /nfs/dbraw/zinc/13/61/83/730136183.db2.gz SOKYCHMJGYWNOG-MNOVXSKESA-N 1 1 362.817 3.454 20 5 FGBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000843831925 730658775 /nfs/dbraw/zinc/65/87/75/730658775.db2.gz ARCIUGPNZQMSQT-AWEZNQCLSA-N 1 1 351.422 3.140 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@@]3(CC3(F)F)C2)cccc1[N+](=O)[O-] ZINC000844437598 730718451 /nfs/dbraw/zinc/71/84/51/730718451.db2.gz ODECFORSTLCIGY-MRXNPFEDSA-N 1 1 353.369 3.353 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2C[C@@H](O)c3ccccc32)c1 ZINC000850371426 731349519 /nfs/dbraw/zinc/34/95/19/731349519.db2.gz JNQFNDIKBOLUEK-HUUCEWRRSA-N 1 1 350.321 3.464 20 5 FGBDMO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000856476060 732031638 /nfs/dbraw/zinc/03/16/38/732031638.db2.gz LRWAEJOBACSXIC-ZDUSSCGKSA-N 1 1 351.834 3.100 20 5 FGBDMO CON(C)C(=O)[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000858319538 732203066 /nfs/dbraw/zinc/20/30/66/732203066.db2.gz BDJCSBUKDHCKCM-JTQLQIEISA-N 1 1 367.789 3.006 20 5 FGBDMO CON(C)C(=O)[C@@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000858324586 732203254 /nfs/dbraw/zinc/20/32/54/732203254.db2.gz BDJCSBUKDHCKCM-SNVBAGLBSA-N 1 1 367.789 3.006 20 5 FGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC2(CCOCC2)CC[C@@H]1CO ZINC000859520765 732342927 /nfs/dbraw/zinc/34/29/27/732342927.db2.gz WJRAMFQVLHNDSU-OAHLLOKOSA-N 1 1 354.834 3.002 20 5 FGBDMO C[N@H+]1CCCC[C@@H]1CCOC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000859999540 732430705 /nfs/dbraw/zinc/43/07/05/732430705.db2.gz CWHPWGSANUQLQW-LLVKDONJSA-N 1 1 371.231 3.389 20 5 FGBDMO C[C@H](Nc1cc(F)c([N+](=O)[O-])cc1CO)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000865667580 733249031 /nfs/dbraw/zinc/24/90/31/733249031.db2.gz MNAHJIXKISXAEE-QWHCGFSZSA-N 1 1 351.422 3.291 20 5 FGBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000874827070 735935366 /nfs/dbraw/zinc/93/53/66/735935366.db2.gz BPCKWHJIXZBXCZ-QWHCGFSZSA-N 1 1 358.225 3.210 20 5 FGBDMO CC[N@H+](CCSC)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878771736 736917013 /nfs/dbraw/zinc/91/70/13/736917013.db2.gz UGQXRCVBNPSNJR-UHFFFAOYSA-N 1 1 356.835 3.483 20 5 FGBDMO CC[N@@H+](CCSC)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878771736 736917017 /nfs/dbraw/zinc/91/70/17/736917017.db2.gz UGQXRCVBNPSNJR-UHFFFAOYSA-N 1 1 356.835 3.483 20 5 FGBDMO O=C(CC[N@H+]1CC[C@@H](c2nccs2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000880319523 737154338 /nfs/dbraw/zinc/15/43/38/737154338.db2.gz HXCHROPOSSBQIM-LLVKDONJSA-N 1 1 364.402 3.009 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]CC1(C)CC(F)(F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000883256832 737542395 /nfs/dbraw/zinc/54/23/95/737542395.db2.gz KCIQELGSDRXQPN-CQSZACIVSA-N 1 1 350.369 3.443 20 5 FGBDMO Cc1cc([C@@H](C)[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])n(C)n1 ZINC000883295461 737548515 /nfs/dbraw/zinc/54/85/15/737548515.db2.gz IZQNCYYRDKGXFM-SNVBAGLBSA-N 1 1 353.220 3.250 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)ccc1CNC1CC[NH+](Cc2ccccn2)CC1 ZINC000892610345 740023104 /nfs/dbraw/zinc/02/31/04/740023104.db2.gz IQUWWFATVUJVKH-UHFFFAOYSA-N 1 1 360.845 3.397 20 5 FGBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000907064150 744183036 /nfs/dbraw/zinc/18/30/36/744183036.db2.gz GURCZKWUHHOLQZ-PBHICJAKSA-N 1 1 365.861 3.124 20 5 FGBDMO C[N@H+]1CCC[C@@H](CCNC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000909913512 744399720 /nfs/dbraw/zinc/39/97/20/744399720.db2.gz GJQPUYBHGIFFCE-ZDUSSCGKSA-N 1 1 353.850 3.029 20 5 FGBDMO O=[N+]([O-])c1ccc(Br)c(C[N@H+](C[C@H]2CCOC2)C2CC2)c1 ZINC000929265764 760350850 /nfs/dbraw/zinc/35/08/50/760350850.db2.gz BWFZNNKQYKTNTP-LLVKDONJSA-N 1 1 355.232 3.358 20 5 FGBDMO O=[N+]([O-])c1ccc(Br)c(C[N@@H+](C[C@H]2CCOC2)C2CC2)c1 ZINC000929265764 760350863 /nfs/dbraw/zinc/35/08/63/760350863.db2.gz BWFZNNKQYKTNTP-LLVKDONJSA-N 1 1 355.232 3.358 20 5 FGBDMO Cc1noc(C[C@H]2CCC[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)n1 ZINC000933572267 761431011 /nfs/dbraw/zinc/43/10/11/761431011.db2.gz NCBHNKIXRJAVSW-GFCCVEGCSA-N 1 1 350.806 3.394 20 5 FGBDMO Cc1noc(C[C@H]2CCC[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)n1 ZINC000933572267 761431019 /nfs/dbraw/zinc/43/10/19/761431019.db2.gz NCBHNKIXRJAVSW-GFCCVEGCSA-N 1 1 350.806 3.394 20 5 FGBDMO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000122519790 257352347 /nfs/dbraw/zinc/35/23/47/257352347.db2.gz KCJLRZFESPAQIN-CQSZACIVSA-N 1 1 353.850 3.232 20 5 FGBDMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000122519790 257352348 /nfs/dbraw/zinc/35/23/48/257352348.db2.gz KCJLRZFESPAQIN-CQSZACIVSA-N 1 1 353.850 3.232 20 5 FGBDMO CCOc1cccc(NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1[N+](=O)[O-] ZINC000302141941 257385199 /nfs/dbraw/zinc/38/51/99/257385199.db2.gz HNTKLVLJOKDUQI-UHFFFAOYSA-N 1 1 371.441 3.481 20 5 FGBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000579575876 505578404 /nfs/dbraw/zinc/57/84/04/505578404.db2.gz XMRNKINYEIYBBW-ZDUSSCGKSA-N 1 1 371.890 3.331 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2Cl)c1 ZINC000579581667 505580133 /nfs/dbraw/zinc/58/01/33/505580133.db2.gz UESJMYVEMUUPMB-QGZVFWFLSA-N 1 1 359.813 3.343 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@@H](COC(F)F)C2)c1 ZINC000579776271 505617588 /nfs/dbraw/zinc/61/75/88/505617588.db2.gz DUMCHOCZZCVPSQ-SECBINFHSA-N 1 1 352.284 3.257 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@@H](COC(F)F)C2)c1 ZINC000579776271 505617589 /nfs/dbraw/zinc/61/75/89/505617589.db2.gz DUMCHOCZZCVPSQ-SECBINFHSA-N 1 1 352.284 3.257 20 5 FGBDMO COc1ccc(C(=O)NCc2cccc(C[N@@H+](C)C(C)C)c2)cc1[N+](=O)[O-] ZINC000068271140 493788207 /nfs/dbraw/zinc/78/82/07/493788207.db2.gz WVZHMQDEICPUOB-UHFFFAOYSA-N 1 1 371.437 3.374 20 5 FGBDMO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000075940398 493798107 /nfs/dbraw/zinc/79/81/07/493798107.db2.gz VLFBCMJUTRBXJH-INIZCTEOSA-N 1 1 355.394 3.039 20 5 FGBDMO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000075940398 493798110 /nfs/dbraw/zinc/79/81/10/493798110.db2.gz VLFBCMJUTRBXJH-INIZCTEOSA-N 1 1 355.394 3.039 20 5 FGBDMO C[C@H](C1CC1)[N@@H+](Cc1ccccc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000029843441 493860956 /nfs/dbraw/zinc/86/09/56/493860956.db2.gz CZPLRRJBBVCHFF-CQSZACIVSA-N 1 1 353.422 3.494 20 5 FGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCCOc1ccccc1 ZINC000029853011 493862767 /nfs/dbraw/zinc/86/27/67/493862767.db2.gz DPYDJXWMJQTGCC-HNNXBMFYSA-N 1 1 357.410 3.323 20 5 FGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCCOc1ccccc1 ZINC000029853011 493862771 /nfs/dbraw/zinc/86/27/71/493862771.db2.gz DPYDJXWMJQTGCC-HNNXBMFYSA-N 1 1 357.410 3.323 20 5 FGBDMO CC[C@@H](CNC(=O)c1cccc(C)c1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000029908036 493866711 /nfs/dbraw/zinc/86/67/11/493866711.db2.gz MZNDXACVTSBEIU-SFHVURJKSA-N 1 1 367.449 3.470 20 5 FGBDMO Cc1ccccc1[C@H]1C[C@H](C)[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000076386863 493880760 /nfs/dbraw/zinc/88/07/60/493880760.db2.gz LCLJPPFUJLHXHH-YOEHRIQHSA-N 1 1 353.422 3.380 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000076493695 493905515 /nfs/dbraw/zinc/90/55/15/493905515.db2.gz WPQGDCXAZWBNEA-INIZCTEOSA-N 1 1 353.422 3.250 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000076493695 493905520 /nfs/dbraw/zinc/90/55/20/493905520.db2.gz WPQGDCXAZWBNEA-INIZCTEOSA-N 1 1 353.422 3.250 20 5 FGBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000050579629 493921921 /nfs/dbraw/zinc/92/19/21/493921921.db2.gz KJXOSEVYTNSFST-CYBMUJFWSA-N 1 1 374.466 3.180 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000081605755 493927667 /nfs/dbraw/zinc/92/76/67/493927667.db2.gz FLSNQSBZPQAUOY-FUHWJXTLSA-N 1 1 362.813 3.435 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000081605755 493927670 /nfs/dbraw/zinc/92/76/70/493927670.db2.gz FLSNQSBZPQAUOY-FUHWJXTLSA-N 1 1 362.813 3.435 20 5 FGBDMO CCS(=O)(=O)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000069172873 493932389 /nfs/dbraw/zinc/93/23/89/493932389.db2.gz VOCVTPNBJJHVAK-UHFFFAOYSA-N 1 1 372.830 3.033 20 5 FGBDMO Cc1sc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000031542572 493947622 /nfs/dbraw/zinc/94/76/22/493947622.db2.gz AIQDXCAAUIRMLN-HNNXBMFYSA-N 1 1 359.451 3.359 20 5 FGBDMO Cc1sc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000031542572 493947625 /nfs/dbraw/zinc/94/76/25/493947625.db2.gz AIQDXCAAUIRMLN-HNNXBMFYSA-N 1 1 359.451 3.359 20 5 FGBDMO O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000062229224 494007156 /nfs/dbraw/zinc/00/71/56/494007156.db2.gz ZKDKQNOGGYKDKP-IBGZPJMESA-N 1 1 353.422 3.379 20 5 FGBDMO CSc1ccc(C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000032730071 494009175 /nfs/dbraw/zinc/00/91/75/494009175.db2.gz JRUQYGBHYMNLSK-STQMWFEESA-N 1 1 351.472 3.309 20 5 FGBDMO C[C@@H]1CN(Cc2ccccc2C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000069833333 494020507 /nfs/dbraw/zinc/02/05/07/494020507.db2.gz HOEQPDLXNYEZDT-IAGOWNOFSA-N 1 1 369.465 3.494 20 5 FGBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCCc2ccccc2)c([N+](=O)[O-])c1 ZINC000052802690 494063324 /nfs/dbraw/zinc/06/33/24/494063324.db2.gz ZBAIUGVIQDXWDL-HNNXBMFYSA-N 1 1 371.437 3.495 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)CCc1ccccc1 ZINC000053047710 494087313 /nfs/dbraw/zinc/08/73/13/494087313.db2.gz MYQUXMUXXATGHX-CQSZACIVSA-N 1 1 357.410 3.105 20 5 FGBDMO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc([N+](=O)[O-])o1 ZINC000041597610 494169843 /nfs/dbraw/zinc/16/98/43/494169843.db2.gz YISAMGQDUOAIKZ-AWEZNQCLSA-N 1 1 363.801 3.408 20 5 FGBDMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000054203903 494206636 /nfs/dbraw/zinc/20/66/36/494206636.db2.gz NACWJFUZCAWFAY-INIZCTEOSA-N 1 1 354.410 3.149 20 5 FGBDMO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000042184627 494207953 /nfs/dbraw/zinc/20/79/53/494207953.db2.gz NSYIOWIKWOPWBA-STQMWFEESA-N 1 1 373.409 3.290 20 5 FGBDMO CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000072761184 494246723 /nfs/dbraw/zinc/24/67/23/494246723.db2.gz OFABTKKVCPOWDS-GOSISDBHSA-N 1 1 355.438 3.455 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000072810334 494255816 /nfs/dbraw/zinc/25/58/16/494255816.db2.gz YWKOSUIWKRZLGP-SJORKVTESA-N 1 1 359.470 3.250 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CCS[C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000072836493 494261201 /nfs/dbraw/zinc/26/12/01/494261201.db2.gz SMIWJPWIBPONGL-MRXNPFEDSA-N 1 1 351.472 3.305 20 5 FGBDMO CCOc1ccc([C@H](C)[NH2+]Cc2c(CC)nn(C)c2OC)cc1[N+](=O)[O-] ZINC000089212359 494273893 /nfs/dbraw/zinc/27/38/93/494273893.db2.gz DGUHYEHFGMZNDR-LBPRGKRZSA-N 1 1 362.430 3.149 20 5 FGBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000015115761 494339875 /nfs/dbraw/zinc/33/98/75/494339875.db2.gz SDSSTRLFWUBVDY-UHFFFAOYSA-N 1 1 366.343 3.331 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000044582358 494366752 /nfs/dbraw/zinc/36/67/52/494366752.db2.gz OMBHXABBZUXEKB-GASCZTMLSA-N 1 1 365.499 3.171 20 5 FGBDMO COc1ccccc1[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)[NH+]1CCCCC1 ZINC000055752082 494401845 /nfs/dbraw/zinc/40/18/45/494401845.db2.gz DAEKOYGCXRCMMZ-OAHLLOKOSA-N 1 1 373.409 3.153 20 5 FGBDMO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CCC(CO)CC1 ZINC000089923706 494403307 /nfs/dbraw/zinc/40/33/07/494403307.db2.gz YMLPEWVWADNUGX-UHFFFAOYSA-N 1 1 359.426 3.275 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCCNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000073869091 494440795 /nfs/dbraw/zinc/44/07/95/494440795.db2.gz DHPWTZQPVGOAJZ-CQSZACIVSA-N 1 1 360.458 3.163 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000090554206 494481141 /nfs/dbraw/zinc/48/11/41/494481141.db2.gz ICSLEMYWDFHUIY-LJQANCHMSA-N 1 1 366.421 3.465 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000067141674 494483026 /nfs/dbraw/zinc/48/30/26/494483026.db2.gz OCHFINQRKPPIRY-UHFFFAOYSA-N 1 1 353.422 3.251 20 5 FGBDMO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2sccc2C1 ZINC000046063327 494492463 /nfs/dbraw/zinc/49/24/63/494492463.db2.gz UQPTYLZZVQKCFD-GFCCVEGCSA-N 1 1 360.439 3.225 20 5 FGBDMO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2sccc2C1 ZINC000046063327 494492467 /nfs/dbraw/zinc/49/24/67/494492467.db2.gz UQPTYLZZVQKCFD-GFCCVEGCSA-N 1 1 360.439 3.225 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000046426769 494527072 /nfs/dbraw/zinc/52/70/72/494527072.db2.gz MNROQUTWCXGOAX-IYBDPMFKSA-N 1 1 362.474 3.104 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@@H+](C)[C@H](CC)CSC)c([N+](=O)[O-])c1 ZINC000091097448 494533141 /nfs/dbraw/zinc/53/31/41/494533141.db2.gz BZCXNWKMEYJIOK-GFCCVEGCSA-N 1 1 355.460 3.005 20 5 FGBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000056947220 494599428 /nfs/dbraw/zinc/59/94/28/494599428.db2.gz PTSKOZHKUWTWCC-OWCLPIDISA-N 1 1 362.474 3.103 20 5 FGBDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000046980591 494603930 /nfs/dbraw/zinc/60/39/30/494603930.db2.gz CIMAZHUIWFGWHI-AWEZNQCLSA-N 1 1 356.426 3.227 20 5 FGBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)c1 ZINC000067679446 494606934 /nfs/dbraw/zinc/60/69/34/494606934.db2.gz CYNHMAMAURTRIO-UHFFFAOYSA-N 1 1 373.478 3.455 20 5 FGBDMO C[C@H]1C[NH+](CC2CCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000092587086 494676978 /nfs/dbraw/zinc/67/69/78/494676978.db2.gz CJUDJNVAPUVXDK-KEEVIKFDSA-N 1 1 373.497 3.429 20 5 FGBDMO CCCO[C@@H]1CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000108398071 494699725 /nfs/dbraw/zinc/69/97/25/494699725.db2.gz IEPZZKFQPGHETH-MRXNPFEDSA-N 1 1 360.414 3.426 20 5 FGBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000080581198 494736999 /nfs/dbraw/zinc/73/69/99/494736999.db2.gz OGMLQZMGKTUTPD-GOSISDBHSA-N 1 1 357.385 3.015 20 5 FGBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000080581198 494737006 /nfs/dbraw/zinc/73/70/06/494737006.db2.gz OGMLQZMGKTUTPD-GOSISDBHSA-N 1 1 357.385 3.015 20 5 FGBDMO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])s1)[N@@H+]1CCc2ccccc2C1 ZINC000025461408 494744642 /nfs/dbraw/zinc/74/46/42/494744642.db2.gz QTXWGWYHUCFNNX-UHFFFAOYSA-N 1 1 359.451 3.223 20 5 FGBDMO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])s1)[N@H+]1CCc2ccccc2C1 ZINC000025461408 494744651 /nfs/dbraw/zinc/74/46/51/494744651.db2.gz QTXWGWYHUCFNNX-UHFFFAOYSA-N 1 1 359.451 3.223 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1cccc(F)c1 ZINC000026223893 494810723 /nfs/dbraw/zinc/81/07/23/494810723.db2.gz ONZNFOYQXSSINQ-UHFFFAOYSA-N 1 1 361.373 3.203 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000026299117 494815550 /nfs/dbraw/zinc/81/55/50/494815550.db2.gz ZYQJAXXMIMYSHZ-AWEZNQCLSA-N 1 1 367.409 3.377 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000026299117 494815552 /nfs/dbraw/zinc/81/55/52/494815552.db2.gz ZYQJAXXMIMYSHZ-AWEZNQCLSA-N 1 1 367.409 3.377 20 5 FGBDMO CC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1cccc(F)c1 ZINC000027364598 494864827 /nfs/dbraw/zinc/86/48/27/494864827.db2.gz TVWPZHQRBWWQDQ-UHFFFAOYSA-N 1 1 357.385 3.145 20 5 FGBDMO CC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1cccc(F)c1 ZINC000027364598 494864832 /nfs/dbraw/zinc/86/48/32/494864832.db2.gz TVWPZHQRBWWQDQ-UHFFFAOYSA-N 1 1 357.385 3.145 20 5 FGBDMO COc1ccc2oc(C[N@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)cc2c1 ZINC000093534910 494898466 /nfs/dbraw/zinc/89/84/66/494898466.db2.gz LTEGUONSOVDMBC-AWEZNQCLSA-N 1 1 368.393 3.431 20 5 FGBDMO COc1cc(CN2CCC([N@H+]3CCC[C@@H]3C)CC2)c([N+](=O)[O-])cc1OC ZINC000093715638 494914777 /nfs/dbraw/zinc/91/47/77/494914777.db2.gz MRJIXYRSMWGIID-AWEZNQCLSA-N 1 1 363.458 3.061 20 5 FGBDMO COCC[N@H+](C)CCCC1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000122102222 494924147 /nfs/dbraw/zinc/92/41/47/494924147.db2.gz FNRJPAHTQHFPDY-UHFFFAOYSA-N 1 1 367.465 3.304 20 5 FGBDMO COCC[N@@H+](C)CCCC1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000122102222 494924150 /nfs/dbraw/zinc/92/41/50/494924150.db2.gz FNRJPAHTQHFPDY-UHFFFAOYSA-N 1 1 367.465 3.304 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)n1 ZINC000122171136 494934853 /nfs/dbraw/zinc/93/48/53/494934853.db2.gz NULSXVOLLJRKOC-HNNXBMFYSA-N 1 1 356.426 3.131 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)n1 ZINC000122171136 494934855 /nfs/dbraw/zinc/93/48/55/494934855.db2.gz NULSXVOLLJRKOC-HNNXBMFYSA-N 1 1 356.426 3.131 20 5 FGBDMO Cc1c(CC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000122219333 494941936 /nfs/dbraw/zinc/94/19/36/494941936.db2.gz VRGAYKBUADWMSN-OAHLLOKOSA-N 1 1 355.438 3.082 20 5 FGBDMO CN(C)c1cccc([C@@H]2CCC[N@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000118867291 495049851 /nfs/dbraw/zinc/04/98/51/495049851.db2.gz PVXGLMBGQMXLFN-SFHVURJKSA-N 1 1 368.437 3.097 20 5 FGBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000128284927 495073506 /nfs/dbraw/zinc/07/35/06/495073506.db2.gz CDALOLOPUIQCDA-LBPRGKRZSA-N 1 1 373.375 3.464 20 5 FGBDMO COc1ccc(C[N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1C ZINC000103145315 495199329 /nfs/dbraw/zinc/19/93/29/495199329.db2.gz BOIQYDVRPGVATN-UHFFFAOYSA-N 1 1 358.394 3.410 20 5 FGBDMO COc1ccc(C[N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1C ZINC000103145315 495199331 /nfs/dbraw/zinc/19/93/31/495199331.db2.gz BOIQYDVRPGVATN-UHFFFAOYSA-N 1 1 358.394 3.410 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CCc1ccccn1 ZINC000129911376 495313477 /nfs/dbraw/zinc/31/34/77/495313477.db2.gz XNAMEMMUPNRXCH-GFCCVEGCSA-N 1 1 362.817 3.145 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)CCc1ccccn1 ZINC000129911376 495313481 /nfs/dbraw/zinc/31/34/81/495313481.db2.gz XNAMEMMUPNRXCH-GFCCVEGCSA-N 1 1 362.817 3.145 20 5 FGBDMO Cc1c(NC(=O)CC[N@@H+](Cc2ccncc2)C2CC2)cccc1[N+](=O)[O-] ZINC000124875235 495358347 /nfs/dbraw/zinc/35/83/47/495358347.db2.gz AWQNYYYLSFYZGT-UHFFFAOYSA-N 1 1 354.410 3.291 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](Cc1ccncc1)C1CC1 ZINC000124916718 495364091 /nfs/dbraw/zinc/36/40/91/495364091.db2.gz BYSMMBPHWPMOFJ-UHFFFAOYSA-N 1 1 354.410 3.291 20 5 FGBDMO O=C(CCNC[C@@H]1CCC[N@H+]1C1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000571636393 505779613 /nfs/dbraw/zinc/77/96/13/505779613.db2.gz HLVGXJICNPFBFF-KRWDZBQOSA-N 1 1 374.485 3.310 20 5 FGBDMO O=C(CC[NH2+]C[C@@H]1CCCN1C1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000571636393 505779618 /nfs/dbraw/zinc/77/96/18/505779618.db2.gz HLVGXJICNPFBFF-KRWDZBQOSA-N 1 1 374.485 3.310 20 5 FGBDMO Cc1cc(C[C@@H](C)[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)n[nH]1 ZINC000136751188 495399361 /nfs/dbraw/zinc/39/93/61/495399361.db2.gz RXPPPSHJCLMGBV-LLVKDONJSA-N 1 1 357.439 3.471 20 5 FGBDMO CCO[C@@H]1C[C@H]([N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1(C)C ZINC000120661178 495429331 /nfs/dbraw/zinc/42/93/31/495429331.db2.gz SCRKSYQBAQZGEJ-LSDHHAIUSA-N 1 1 360.414 3.280 20 5 FGBDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1(C)C ZINC000120661178 495429335 /nfs/dbraw/zinc/42/93/35/495429335.db2.gz SCRKSYQBAQZGEJ-LSDHHAIUSA-N 1 1 360.414 3.280 20 5 FGBDMO O=[N+]([O-])c1ccn(CC[N@@H+](Cc2ccccc2C(F)(F)F)C2CC2)n1 ZINC000176211582 495548403 /nfs/dbraw/zinc/54/84/03/495548403.db2.gz CVAWMXDRTCQCGP-UHFFFAOYSA-N 1 1 354.332 3.475 20 5 FGBDMO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cc(Br)ccc1F ZINC000176220205 495550664 /nfs/dbraw/zinc/55/06/64/495550664.db2.gz FVIISTIMHCQWIO-UHFFFAOYSA-N 1 1 371.210 3.215 20 5 FGBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cc(Br)ccc1F ZINC000176220205 495550670 /nfs/dbraw/zinc/55/06/70/495550670.db2.gz FVIISTIMHCQWIO-UHFFFAOYSA-N 1 1 371.210 3.215 20 5 FGBDMO COC[C@@H](C)[N@H+](C)Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000179369567 495564047 /nfs/dbraw/zinc/56/40/47/495564047.db2.gz VUPBJNUFAOFACQ-SNVBAGLBSA-N 1 1 366.336 3.011 20 5 FGBDMO COC[C@@H](C)[N@@H+](C)Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000179369567 495564051 /nfs/dbraw/zinc/56/40/51/495564051.db2.gz VUPBJNUFAOFACQ-SNVBAGLBSA-N 1 1 366.336 3.011 20 5 FGBDMO Cc1c(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000179474078 495606763 /nfs/dbraw/zinc/60/67/63/495606763.db2.gz QUGZIBKUDKTYNR-SJLPKXTDSA-N 1 1 354.410 3.470 20 5 FGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H](c2nccs2)c2ccccc2)c1 ZINC000154502135 495636154 /nfs/dbraw/zinc/63/61/54/495636154.db2.gz QERPZPDIWLKTPD-DLBZAZTESA-N 1 1 355.419 3.464 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CCc1cccs1 ZINC000173756940 495679452 /nfs/dbraw/zinc/67/94/52/495679452.db2.gz YXIHVQDJLZWQTR-UHFFFAOYSA-N 1 1 363.439 3.168 20 5 FGBDMO C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185696336 495683547 /nfs/dbraw/zinc/68/35/47/495683547.db2.gz ICDQYBPEKTVMFC-UONOGXRCSA-N 1 1 358.442 3.479 20 5 FGBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@H](c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000171091994 495720392 /nfs/dbraw/zinc/72/03/92/495720392.db2.gz KPSFEYWNTBJQDT-INIZCTEOSA-N 1 1 353.422 3.463 20 5 FGBDMO CC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1OCC(=O)N(C)C ZINC000171128189 495734396 /nfs/dbraw/zinc/73/43/96/495734396.db2.gz LVHUTMQCIYQROE-QGZVFWFLSA-N 1 1 371.437 3.303 20 5 FGBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000185859477 495754286 /nfs/dbraw/zinc/75/42/86/495754286.db2.gz ATAYKKGZDLELCD-CYBMUJFWSA-N 1 1 368.865 3.025 20 5 FGBDMO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000174008068 495785789 /nfs/dbraw/zinc/78/57/89/495785789.db2.gz GWLXNGCEGZKFKT-LJQANCHMSA-N 1 1 353.422 3.266 20 5 FGBDMO COc1ccc(F)cc1[C@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000179937725 495791678 /nfs/dbraw/zinc/79/16/78/495791678.db2.gz ODWKGGYHBCMOAA-LBPRGKRZSA-N 1 1 361.373 3.340 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159827243 495818176 /nfs/dbraw/zinc/81/81/76/495818176.db2.gz WILZGVBWQDQNPW-AWEZNQCLSA-N 1 1 356.426 3.120 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000159827243 495818180 /nfs/dbraw/zinc/81/81/80/495818180.db2.gz WILZGVBWQDQNPW-AWEZNQCLSA-N 1 1 356.426 3.120 20 5 FGBDMO CC[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC[C@@H]1c1ccccc1 ZINC000159865191 495827690 /nfs/dbraw/zinc/82/76/90/495827690.db2.gz COBJEYMPECSLKY-LPHOPBHVSA-N 1 1 355.438 3.272 20 5 FGBDMO CC(C)([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC1CCCC1 ZINC000155163776 495858960 /nfs/dbraw/zinc/85/89/60/495858960.db2.gz CSRJGBWCYRMMIX-UHFFFAOYSA-N 1 1 353.850 3.423 20 5 FGBDMO C[C@H](C(=O)NCC[N@@H+](C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000183156898 495859774 /nfs/dbraw/zinc/85/97/74/495859774.db2.gz GBIASGXPAWVMPL-AWEZNQCLSA-N 1 1 359.401 3.086 20 5 FGBDMO CCOc1cc(N2CC[NH+]([C@H](C)c3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000160086553 495881476 /nfs/dbraw/zinc/88/14/76/495881476.db2.gz JQTBZFPOORAJCN-OAHLLOKOSA-N 1 1 356.426 3.272 20 5 FGBDMO CN(CCOc1ccccc1[N+](=O)[O-])C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174403206 495943841 /nfs/dbraw/zinc/94/38/41/495943841.db2.gz NNWAIUAGZUFKMB-LJQANCHMSA-N 1 1 369.465 3.428 20 5 FGBDMO O=C(CC[N@@H+]1CCc2[nH]c3ccccc3c2C1)Nc1ccccc1[N+](=O)[O-] ZINC000171620083 495951247 /nfs/dbraw/zinc/95/12/47/495951247.db2.gz OGSKPZGUYIDUDT-UHFFFAOYSA-N 1 1 364.405 3.463 20 5 FGBDMO O=C(CC[N@H+]1CCc2[nH]c3ccccc3c2C1)Nc1ccccc1[N+](=O)[O-] ZINC000171620083 495951250 /nfs/dbraw/zinc/95/12/50/495951250.db2.gz OGSKPZGUYIDUDT-UHFFFAOYSA-N 1 1 364.405 3.463 20 5 FGBDMO Cc1[nH+]ccn1CCCCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000174450982 495964489 /nfs/dbraw/zinc/96/44/89/495964489.db2.gz IFDFTQCHLAPMJL-UHFFFAOYSA-N 1 1 351.794 3.355 20 5 FGBDMO CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000155605102 496010318 /nfs/dbraw/zinc/01/03/18/496010318.db2.gz RRDJAAISIIMDGB-OAHLLOKOSA-N 1 1 357.410 3.203 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)Nc2ccncc2[N+](=O)[O-])cc1 ZINC000183648768 496061961 /nfs/dbraw/zinc/06/19/61/496061961.db2.gz DLUBFUBDOUBAPK-LBPRGKRZSA-N 1 1 366.381 3.367 20 5 FGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c1 ZINC000177448785 496065435 /nfs/dbraw/zinc/06/54/35/496065435.db2.gz ACYNVBRTQFDETM-INIZCTEOSA-N 1 1 354.834 3.408 20 5 FGBDMO C[C@@H](C(=O)N1CC[N@H+](C)Cc2ccccc21)c1ccc([N+](=O)[O-])cc1F ZINC000183770762 496111662 /nfs/dbraw/zinc/11/16/62/496111662.db2.gz RYJJUXKGUOFOMT-CYBMUJFWSA-N 1 1 357.385 3.316 20 5 FGBDMO C[C@@H](C(=O)N1CC[N@@H+](C)Cc2ccccc21)c1ccc([N+](=O)[O-])cc1F ZINC000183770762 496111668 /nfs/dbraw/zinc/11/16/68/496111668.db2.gz RYJJUXKGUOFOMT-CYBMUJFWSA-N 1 1 357.385 3.316 20 5 FGBDMO Cc1cccc(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000174925542 496167489 /nfs/dbraw/zinc/16/74/89/496167489.db2.gz KLVAAIFMKJHCJF-SFHVURJKSA-N 1 1 367.449 3.497 20 5 FGBDMO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180894360 496189300 /nfs/dbraw/zinc/18/93/00/496189300.db2.gz SHGIFTCPVAUREW-RDTXWAMCSA-N 1 1 362.451 3.097 20 5 FGBDMO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000172177992 496196854 /nfs/dbraw/zinc/19/68/54/496196854.db2.gz GCBFYJCZETWBFE-CYBMUJFWSA-N 1 1 353.850 3.377 20 5 FGBDMO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000172177992 496196862 /nfs/dbraw/zinc/19/68/62/496196862.db2.gz GCBFYJCZETWBFE-CYBMUJFWSA-N 1 1 353.850 3.377 20 5 FGBDMO O=C(Cc1cccc(F)c1)N1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000178039347 496300458 /nfs/dbraw/zinc/30/04/58/496300458.db2.gz DUOMRUJGUUFYOK-UHFFFAOYSA-N 1 1 371.412 3.011 20 5 FGBDMO O=C(Cc1cccc(F)c1)N1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000178039347 496300462 /nfs/dbraw/zinc/30/04/62/496300462.db2.gz DUOMRUJGUUFYOK-UHFFFAOYSA-N 1 1 371.412 3.011 20 5 FGBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000178053441 496306573 /nfs/dbraw/zinc/30/65/73/496306573.db2.gz CVVOHUPLBRUUMQ-OAHLLOKOSA-N 1 1 371.412 3.376 20 5 FGBDMO O=C(NC[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000178053441 496306577 /nfs/dbraw/zinc/30/65/77/496306577.db2.gz CVVOHUPLBRUUMQ-OAHLLOKOSA-N 1 1 371.412 3.376 20 5 FGBDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc([N+](=O)[O-])c3cccnc13)C2 ZINC000156669270 496307774 /nfs/dbraw/zinc/30/77/74/496307774.db2.gz DRSQRKFIMUFJEZ-LSDHHAIUSA-N 1 1 368.437 3.230 20 5 FGBDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000184360935 496351614 /nfs/dbraw/zinc/35/16/14/496351614.db2.gz RFMKODLIRAVUTK-MRXNPFEDSA-N 1 1 368.441 3.206 20 5 FGBDMO CN1CC[NH+](CCCSc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000181322769 496353291 /nfs/dbraw/zinc/35/32/91/496353291.db2.gz RFURVNCOASEJED-UHFFFAOYSA-N 1 1 374.304 3.087 20 5 FGBDMO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000175413875 496380701 /nfs/dbraw/zinc/38/07/01/496380701.db2.gz FAQQFVJWVWCSHL-PWECECGKSA-N 1 1 362.451 3.404 20 5 FGBDMO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000184476891 496401671 /nfs/dbraw/zinc/40/16/71/496401671.db2.gz BTVKTOFJPCMCRN-ZDUSSCGKSA-N 1 1 361.398 3.290 20 5 FGBDMO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000184476891 496401676 /nfs/dbraw/zinc/40/16/76/496401676.db2.gz BTVKTOFJPCMCRN-ZDUSSCGKSA-N 1 1 361.398 3.290 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000181456730 496403663 /nfs/dbraw/zinc/40/36/63/496403663.db2.gz UNPPOIRLSSLRBG-AWEZNQCLSA-N 1 1 351.472 3.262 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000157726969 496539601 /nfs/dbraw/zinc/53/96/01/496539601.db2.gz NALYIRJZRNGCIK-CJNGLKHVSA-N 1 1 363.483 3.263 20 5 FGBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCCC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000175864574 496578641 /nfs/dbraw/zinc/57/86/41/496578641.db2.gz RECUPCAQZXMANR-HOCLYGCPSA-N 1 1 364.471 3.221 20 5 FGBDMO CCOc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000153822797 496592267 /nfs/dbraw/zinc/59/22/67/496592267.db2.gz JFAPXUAZGCJHLH-DOTOQJQBSA-N 1 1 373.453 3.082 20 5 FGBDMO NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000185036109 496631615 /nfs/dbraw/zinc/63/16/15/496631615.db2.gz NRUBRXOJNACTDJ-OAHLLOKOSA-N 1 1 368.220 3.088 20 5 FGBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(OC3CCOCC3)CC2)ccc1Cl ZINC000154000153 496649174 /nfs/dbraw/zinc/64/91/74/496649174.db2.gz SMKRMBFXHKLZOW-UHFFFAOYSA-N 1 1 354.834 3.408 20 5 FGBDMO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173358006 496657709 /nfs/dbraw/zinc/65/77/09/496657709.db2.gz PIIPXIROESFXQC-LBPRGKRZSA-N 1 1 368.842 3.373 20 5 FGBDMO CCO[C@@H]1C[C@@H]([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C12CCC2 ZINC000154030121 496660750 /nfs/dbraw/zinc/66/07/50/496660750.db2.gz AKEAGCLPAWRCNG-IAGOWNOFSA-N 1 1 361.442 3.121 20 5 FGBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C12CCC2 ZINC000154030121 496660756 /nfs/dbraw/zinc/66/07/56/496660756.db2.gz AKEAGCLPAWRCNG-IAGOWNOFSA-N 1 1 361.442 3.121 20 5 FGBDMO CSc1cccc(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000188060821 496667302 /nfs/dbraw/zinc/66/73/02/496667302.db2.gz XXMNUUHDDPXVPE-OKILXGFUSA-N 1 1 365.499 3.415 20 5 FGBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000185152427 496682241 /nfs/dbraw/zinc/68/22/41/496682241.db2.gz XNSHKRBREQDBGU-UONOGXRCSA-N 1 1 351.422 3.074 20 5 FGBDMO CSc1cccc(C(=O)N2CCC[N@H+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000188169907 496708030 /nfs/dbraw/zinc/70/80/30/496708030.db2.gz PRIMKVVBZXRPAM-UHFFFAOYSA-N 1 1 363.483 3.407 20 5 FGBDMO CCNC(=O)[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000263818903 496734399 /nfs/dbraw/zinc/73/43/99/496734399.db2.gz PNBPWFFUBZOZPM-JTQLQIEISA-N 1 1 351.790 3.122 20 5 FGBDMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000194857413 496737479 /nfs/dbraw/zinc/73/74/79/496737479.db2.gz DURLHBKLIBVZMV-SFHVURJKSA-N 1 1 361.398 3.147 20 5 FGBDMO COCC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000273250998 496753227 /nfs/dbraw/zinc/75/32/27/496753227.db2.gz JEKYKGQMXIIFIH-CQSZACIVSA-N 1 1 367.789 3.147 20 5 FGBDMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC[C@H]21 ZINC000247114762 496783396 /nfs/dbraw/zinc/78/33/96/496783396.db2.gz QVKOACQLWIQMSO-XHDPSFHLSA-N 1 1 352.822 3.196 20 5 FGBDMO CCCn1ccnc1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000191497796 496784832 /nfs/dbraw/zinc/78/48/32/496784832.db2.gz KJWFTSJVJNXNCT-HNNXBMFYSA-N 1 1 373.457 3.093 20 5 FGBDMO C[C@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000273484663 496818992 /nfs/dbraw/zinc/81/89/92/496818992.db2.gz LZPXLRIIHFATDM-DOMZBBRYSA-N 1 1 357.439 3.268 20 5 FGBDMO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCCc3c(O)cccc32)c2c(c1)COCO2 ZINC000191659446 496848085 /nfs/dbraw/zinc/84/80/85/496848085.db2.gz OAGHWIJFLVZLSR-KRWDZBQOSA-N 1 1 356.378 3.334 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)[C@H](C)C1 ZINC000269499340 496959773 /nfs/dbraw/zinc/95/97/73/496959773.db2.gz DXPXRYNKRFFAJN-MLGOLLRUSA-N 1 1 368.865 3.120 20 5 FGBDMO Cc1c(CC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000248136286 496960132 /nfs/dbraw/zinc/96/01/32/496960132.db2.gz XOIPCZFMJDQNAP-PXNSSMCTSA-N 1 1 353.422 3.007 20 5 FGBDMO CCCn1cc[nH+]c1CCCN(C)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000192236191 497043057 /nfs/dbraw/zinc/04/30/57/497043057.db2.gz UZMWGEHPEHEFRR-UHFFFAOYSA-N 1 1 350.394 3.418 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](OC)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000189367781 497096804 /nfs/dbraw/zinc/09/68/04/497096804.db2.gz RALWAWDWYOXLCV-BONVTDFDSA-N 1 1 360.357 3.062 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@H](C)[C@@H](OC)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000189367781 497096811 /nfs/dbraw/zinc/09/68/11/497096811.db2.gz RALWAWDWYOXLCV-BONVTDFDSA-N 1 1 360.357 3.062 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000278461257 497123249 /nfs/dbraw/zinc/12/32/49/497123249.db2.gz HIUSSHQDFVRCNU-JSGCOSHPSA-N 1 1 351.834 3.113 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000192487900 497129565 /nfs/dbraw/zinc/12/95/65/497129565.db2.gz AQFDGFPIRRZYFG-DOTOQJQBSA-N 1 1 353.422 3.154 20 5 FGBDMO CC(C)N(C)c1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cn1 ZINC000278753405 497209349 /nfs/dbraw/zinc/20/93/49/497209349.db2.gz SKLXOPZNKISNIA-UHFFFAOYSA-N 1 1 354.414 3.001 20 5 FGBDMO COC(=O)c1ccc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)o1 ZINC000278814038 497229348 /nfs/dbraw/zinc/22/93/48/497229348.db2.gz XLXYBEGJUMEPIA-UHFFFAOYSA-N 1 1 358.272 3.283 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000192908433 497243297 /nfs/dbraw/zinc/24/32/97/497243297.db2.gz DMUXRMWZUYGGAT-INIZCTEOSA-N 1 1 357.410 3.453 20 5 FGBDMO COc1ccc(CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000192919702 497245706 /nfs/dbraw/zinc/24/57/06/497245706.db2.gz XNYRXEDNUHQCKG-SFHVURJKSA-N 1 1 355.438 3.215 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCOCC(F)(F)C(F)F)C2CC2)cc1 ZINC000189791831 497246239 /nfs/dbraw/zinc/24/62/39/497246239.db2.gz YKRMZIZMQOHWTA-UHFFFAOYSA-N 1 1 350.312 3.476 20 5 FGBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000249903594 497256829 /nfs/dbraw/zinc/25/68/29/497256829.db2.gz UIARHAVBLHAVFX-MJBXVCDLSA-N 1 1 358.442 3.172 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](OC)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000251901676 497289789 /nfs/dbraw/zinc/28/97/89/497289789.db2.gz RALWAWDWYOXLCV-MEBBXXQBSA-N 1 1 360.357 3.062 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@H](C)[C@H](OC)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000251901676 497289795 /nfs/dbraw/zinc/28/97/95/497289795.db2.gz RALWAWDWYOXLCV-MEBBXXQBSA-N 1 1 360.357 3.062 20 5 FGBDMO COc1ccccc1/C=C\C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000255394121 497366738 /nfs/dbraw/zinc/36/67/38/497366738.db2.gz FXOKABGTQRLWDX-LEXSJLIMSA-N 1 1 354.410 3.198 20 5 FGBDMO C[C@H]1C[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[N@H+]1C1CC1 ZINC000275605709 497379955 /nfs/dbraw/zinc/37/99/55/497379955.db2.gz GNFCLMOHRSAQOV-ZFWWWQNUSA-N 1 1 361.445 3.449 20 5 FGBDMO Cc1cc(C2CC[NH+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)n[nH]1 ZINC000271604028 497395928 /nfs/dbraw/zinc/39/59/28/497395928.db2.gz IXKBBPGGJROPTN-UHFFFAOYSA-N 1 1 368.397 3.056 20 5 FGBDMO Cc1cc(C2CC[NH+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)[nH]n1 ZINC000271604028 497395934 /nfs/dbraw/zinc/39/59/34/497395934.db2.gz IXKBBPGGJROPTN-UHFFFAOYSA-N 1 1 368.397 3.056 20 5 FGBDMO COc1cccc2c1CC[N@@H+]([C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000193731816 497462659 /nfs/dbraw/zinc/46/26/59/497462659.db2.gz YYHLTSBHDZOXGU-CQSZACIVSA-N 1 1 369.421 3.031 20 5 FGBDMO COc1cccc2c1CC[N@H+]([C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000193731816 497462664 /nfs/dbraw/zinc/46/26/64/497462664.db2.gz YYHLTSBHDZOXGU-CQSZACIVSA-N 1 1 369.421 3.031 20 5 FGBDMO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000193772812 497476699 /nfs/dbraw/zinc/47/66/99/497476699.db2.gz QJSZUPYGRMGLCK-KRWDZBQOSA-N 1 1 353.422 3.155 20 5 FGBDMO Cc1ccc(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000262024816 497493881 /nfs/dbraw/zinc/49/38/81/497493881.db2.gz RUVSZXUAFHRQBF-KRWDZBQOSA-N 1 1 359.813 3.343 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)C1 ZINC000245746175 497525770 /nfs/dbraw/zinc/52/57/70/497525770.db2.gz AFDZSGDWMCWCAB-KBXCAEBGSA-N 1 1 358.442 3.412 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H](C)C1 ZINC000245749958 497527989 /nfs/dbraw/zinc/52/79/89/497527989.db2.gz NQFBODOTRPXOAE-SWLSCSKDSA-N 1 1 357.401 3.358 20 5 FGBDMO C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272387867 497615023 /nfs/dbraw/zinc/61/50/23/497615023.db2.gz WGEXXRHOQMZSCO-ZFWWWQNUSA-N 1 1 359.451 3.297 20 5 FGBDMO O=C1CCCN1[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000276786682 497653648 /nfs/dbraw/zinc/65/36/48/497653648.db2.gz KFKAKPNSVSLLTK-MRXNPFEDSA-N 1 1 355.394 3.052 20 5 FGBDMO Cc1noc(C)c1[C@H](C)C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272585581 497670615 /nfs/dbraw/zinc/67/06/15/497670615.db2.gz YXJCSBQOWRQDKY-XIKOKIGWSA-N 1 1 369.425 3.416 20 5 FGBDMO CO[C@@]1(C)CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000280353318 497728370 /nfs/dbraw/zinc/72/83/70/497728370.db2.gz JEEGNHMDENGYSM-PXAZEXFGSA-N 1 1 369.849 3.466 20 5 FGBDMO CO[C@@]1(C)CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000280353318 497728378 /nfs/dbraw/zinc/72/83/78/497728378.db2.gz JEEGNHMDENGYSM-PXAZEXFGSA-N 1 1 369.849 3.466 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000194834352 497786161 /nfs/dbraw/zinc/78/61/61/497786161.db2.gz QUAFFKJIOPDAOR-NVXWUHKLSA-N 1 1 353.422 3.296 20 5 FGBDMO CCOCCC[N@H+]1CC[C@H](Nc2ccc(C(C)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246798654 497811730 /nfs/dbraw/zinc/81/17/30/497811730.db2.gz NAQJQMKRUNRPSS-YOEHRIQHSA-N 1 1 363.458 3.346 20 5 FGBDMO C[C@@H]1Cc2[nH+]cn(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)c2C[C@@H]1C ZINC000296023070 497893426 /nfs/dbraw/zinc/89/34/26/497893426.db2.gz RIWUSPDCJPLMED-NEPJUHHUSA-N 1 1 353.382 3.260 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000292202060 497921243 /nfs/dbraw/zinc/92/12/43/497921243.db2.gz PPSPRSHLOPCOBO-ZDUSSCGKSA-N 1 1 357.410 3.156 20 5 FGBDMO COC[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000284902425 497936307 /nfs/dbraw/zinc/93/63/07/497936307.db2.gz CGIJLXXGKMOJES-MGPLVRAMSA-N 1 1 351.353 3.494 20 5 FGBDMO CSC[C@H]1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000292304654 497963013 /nfs/dbraw/zinc/96/30/13/497963013.db2.gz DJTRSXZIDYEORA-LBPRGKRZSA-N 1 1 355.435 3.138 20 5 FGBDMO CC[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000296265501 497976492 /nfs/dbraw/zinc/97/64/92/497976492.db2.gz DLLOUDDFWCXPSA-LESCRADOSA-N 1 1 353.422 3.327 20 5 FGBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000281072489 498011181 /nfs/dbraw/zinc/01/11/81/498011181.db2.gz ZZTHIJQKDIOVPB-RHSMWYFYSA-N 1 1 368.437 3.069 20 5 FGBDMO Cc1ccc([C@H](C)[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc1[N+](=O)[O-] ZINC000296469748 498055560 /nfs/dbraw/zinc/05/55/60/498055560.db2.gz NQXZKXCTOKWCMJ-YQQAZPJKSA-N 1 1 353.422 3.245 20 5 FGBDMO CCOc1cc(N2CC[NH+]([C@@H](C)c3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC000301499399 498137330 /nfs/dbraw/zinc/13/73/30/498137330.db2.gz ACVBCHFUBSAKTD-HNNXBMFYSA-N 1 1 356.426 3.272 20 5 FGBDMO CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000330707854 498177908 /nfs/dbraw/zinc/17/79/08/498177908.db2.gz NASGJIQKVDIOCK-CYBMUJFWSA-N 1 1 351.422 3.107 20 5 FGBDMO COc1cccc([C@@H](C)[NH+]2CCN(c3ccc([N+](=O)[O-])c(C)n3)CC2)c1 ZINC000301621236 498191629 /nfs/dbraw/zinc/19/16/29/498191629.db2.gz FHBUCXZXPFISFV-OAHLLOKOSA-N 1 1 356.426 3.190 20 5 FGBDMO O=C([C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1)N1CCCC1 ZINC000289667730 498239303 /nfs/dbraw/zinc/23/93/03/498239303.db2.gz GYPJUWIATKWDHV-LLVKDONJSA-N 1 1 372.252 3.346 20 5 FGBDMO O=C([C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1)N1CCCC1 ZINC000289667730 498239312 /nfs/dbraw/zinc/23/93/12/498239312.db2.gz GYPJUWIATKWDHV-LLVKDONJSA-N 1 1 372.252 3.346 20 5 FGBDMO O=[N+]([O-])c1cnn(CCNc2cc[nH+]c3c(Br)cccc23)c1 ZINC000301734684 498244343 /nfs/dbraw/zinc/24/43/43/498244343.db2.gz UMVOZSDMGCVNEO-UHFFFAOYSA-N 1 1 362.187 3.214 20 5 FGBDMO C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000301816521 498276835 /nfs/dbraw/zinc/27/68/35/498276835.db2.gz DRACSFWEURQRLB-NVXWUHKLSA-N 1 1 360.345 3.499 20 5 FGBDMO O=[N+]([O-])c1cc2c(ncnc2N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000286163608 498311382 /nfs/dbraw/zinc/31/13/82/498311382.db2.gz JPUWWPRNZUCROT-SMDDNHRTSA-N 1 1 359.455 3.053 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2ccc3ncc([N+](=O)[O-])n3n2)cc1 ZINC000301906478 498321659 /nfs/dbraw/zinc/32/16/59/498321659.db2.gz ADFGFDKSFKJWAS-GFCCVEGCSA-N 1 1 363.381 3.305 20 5 FGBDMO C[C@H]1C[C@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)CC[N@H+]1Cc1ccccc1 ZINC000301960172 498345591 /nfs/dbraw/zinc/34/55/91/498345591.db2.gz MFNRXHVIQDYLDE-GOEBONIOSA-N 1 1 366.425 3.103 20 5 FGBDMO Cc1cc(N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000301985454 498356804 /nfs/dbraw/zinc/35/68/04/498356804.db2.gz SXZFOFRLJNHMQX-PKOBYXMFSA-N 1 1 355.438 3.198 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000575887690 506026539 /nfs/dbraw/zinc/02/65/39/506026539.db2.gz IDLDVHGXDKNUNJ-UHFFFAOYSA-N 1 1 363.439 3.074 20 5 FGBDMO C[C@H]1CCC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000293482205 498399031 /nfs/dbraw/zinc/39/90/31/498399031.db2.gz MKVURXRBIKLIFM-NSHDSACASA-N 1 1 359.348 3.075 20 5 FGBDMO CC(C)[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cn2)[C@H]1c1ccc(F)c(F)c1 ZINC000302216955 498446943 /nfs/dbraw/zinc/44/69/43/498446943.db2.gz JWPZXQKJDXPGEZ-JKSUJKDBSA-N 1 1 363.368 3.299 20 5 FGBDMO CC(C)[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cn2)[C@H]1c1ccc(F)c(F)c1 ZINC000302216955 498446946 /nfs/dbraw/zinc/44/69/46/498446946.db2.gz JWPZXQKJDXPGEZ-JKSUJKDBSA-N 1 1 363.368 3.299 20 5 FGBDMO O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CN1 ZINC000362337440 498498978 /nfs/dbraw/zinc/49/89/78/498498978.db2.gz WEHDICKKNLQWPI-QAPCUYQASA-N 1 1 369.421 3.345 20 5 FGBDMO C[C@@H]1C[NH+](C[C@H]2CCCN2c2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)O1 ZINC000302551352 498505320 /nfs/dbraw/zinc/50/53/20/498505320.db2.gz WHWBDTJTQSQVTQ-UMVBOHGHSA-N 1 1 353.850 3.326 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)[C@@H](C)C1 ZINC000297714677 498545810 /nfs/dbraw/zinc/54/58/10/498545810.db2.gz NHIDFSVZWDUDSN-WFASDCNBSA-N 1 1 353.850 3.359 20 5 FGBDMO C[C@@H](NC(=O)N(C)CCC[N@@H+](C)Cc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000286947143 498563564 /nfs/dbraw/zinc/56/35/64/498563564.db2.gz QRMUZSXUQKTFHW-OAHLLOKOSA-N 1 1 374.441 3.412 20 5 FGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)cc1F ZINC000282574312 498566061 /nfs/dbraw/zinc/56/60/61/498566061.db2.gz VKKQIJQQYWXNRG-ZDUSSCGKSA-N 1 1 374.290 3.456 20 5 FGBDMO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC2)C1 ZINC000332120815 498568855 /nfs/dbraw/zinc/56/88/55/498568855.db2.gz LDVKPCJRBZDWOW-AWEZNQCLSA-N 1 1 363.433 3.204 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CCO)c1ccc(Cl)cc1 ZINC000576013980 506055847 /nfs/dbraw/zinc/05/58/47/506055847.db2.gz LLVUHNGBOUZKAV-MRXNPFEDSA-N 1 1 350.802 3.470 20 5 FGBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000302795375 498578856 /nfs/dbraw/zinc/57/88/56/498578856.db2.gz OPIYJPVQCATVSH-SFHVURJKSA-N 1 1 356.426 3.001 20 5 FGBDMO Cn1cc(C[N@H+]2CCC[C@]2(C)CCCO)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000290525382 498585967 /nfs/dbraw/zinc/58/59/67/498585967.db2.gz QGTQFZYQQKDINM-LJQANCHMSA-N 1 1 358.442 3.122 20 5 FGBDMO O=[N+]([O-])c1ccc2c(c1NCCc1[nH+]ccn1Cc1ccccc1)CCN2 ZINC000302856467 498602078 /nfs/dbraw/zinc/60/20/78/498602078.db2.gz SDHAUSNQNHNQHB-UHFFFAOYSA-N 1 1 363.421 3.462 20 5 FGBDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1csc([N+](=O)[O-])c1 ZINC000363010857 498602610 /nfs/dbraw/zinc/60/26/10/498602610.db2.gz VKTJQCROFKVFLZ-GOEBONIOSA-N 1 1 357.435 3.413 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000297917358 498609855 /nfs/dbraw/zinc/60/98/55/498609855.db2.gz ZEWDTICYTJEROO-SMDDNHRTSA-N 1 1 373.375 3.416 20 5 FGBDMO CC1(C)C[C@@H](O)CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000332241920 498615922 /nfs/dbraw/zinc/61/59/22/498615922.db2.gz VHQHEGVMANBPAW-ZDUSSCGKSA-N 1 1 357.248 3.340 20 5 FGBDMO CC1(C)C[C@@H](O)CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000332241920 498615928 /nfs/dbraw/zinc/61/59/28/498615928.db2.gz VHQHEGVMANBPAW-ZDUSSCGKSA-N 1 1 357.248 3.340 20 5 FGBDMO Cc1ccc([C@@H](C)NC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC000298019316 498639500 /nfs/dbraw/zinc/63/95/00/498639500.db2.gz RFYJABDCDOHGPE-DNVCBOLYSA-N 1 1 360.458 3.092 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000363126439 498663405 /nfs/dbraw/zinc/66/34/05/498663405.db2.gz IJXDSVNOKZVYIG-UHFFFAOYSA-N 1 1 361.833 3.166 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000332454794 498692536 /nfs/dbraw/zinc/69/25/36/498692536.db2.gz GECYPIIOBTWINF-YCPHGPKFSA-N 1 1 363.483 3.161 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000332454794 498692540 /nfs/dbraw/zinc/69/25/40/498692540.db2.gz GECYPIIOBTWINF-YCPHGPKFSA-N 1 1 363.483 3.161 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000332485326 498701672 /nfs/dbraw/zinc/70/16/72/498701672.db2.gz NIUZHMSPPAOYLG-YQQAZPJKSA-N 1 1 360.458 3.232 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000332485324 498701737 /nfs/dbraw/zinc/70/17/37/498701737.db2.gz NIUZHMSPPAOYLG-VYDXJSESSA-N 1 1 360.458 3.232 20 5 FGBDMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000332510084 498706995 /nfs/dbraw/zinc/70/69/95/498706995.db2.gz JKHZQIMKINJVSE-WCQYABFASA-N 1 1 371.359 3.312 20 5 FGBDMO Cc1ccc(C[C@@H](C)[N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC000303754789 498711486 /nfs/dbraw/zinc/71/14/86/498711486.db2.gz MTGMEIYBLALDEE-MRXNPFEDSA-N 1 1 367.449 3.355 20 5 FGBDMO Cn1c(NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)[nH+]c2cccc(F)c21 ZINC000579030666 506078107 /nfs/dbraw/zinc/07/81/07/506078107.db2.gz HVOWPNKUPJUJSE-UHFFFAOYSA-N 1 1 353.357 3.178 20 5 FGBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294519873 498718514 /nfs/dbraw/zinc/71/85/14/498718514.db2.gz QGENDNZBQIKKPV-JTQLQIEISA-N 1 1 370.331 3.185 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cn2)cc1F ZINC000366141890 498794918 /nfs/dbraw/zinc/79/49/18/498794918.db2.gz DCJJFQSSYRIUBH-LLVKDONJSA-N 1 1 369.356 3.114 20 5 FGBDMO CC(C)(C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1)C(N)=O ZINC000294819868 498815817 /nfs/dbraw/zinc/81/58/17/498815817.db2.gz OTBYSPYYYZSNIP-LBPRGKRZSA-N 1 1 353.850 3.362 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000298590745 498823065 /nfs/dbraw/zinc/82/30/65/498823065.db2.gz KHDHUUZDACIZTP-ZDUSSCGKSA-N 1 1 373.409 3.331 20 5 FGBDMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000291183724 498832879 /nfs/dbraw/zinc/83/28/79/498832879.db2.gz ONGYKFPPGQMAHN-CKMGUBGDSA-N 1 1 362.470 3.280 20 5 FGBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363558108 498878431 /nfs/dbraw/zinc/87/84/31/498878431.db2.gz NYANUWSXJWQNTC-GHJWDPDVSA-N 1 1 364.833 3.196 20 5 FGBDMO CC(C)[N@H+]1CCC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000295329431 498982037 /nfs/dbraw/zinc/98/20/37/498982037.db2.gz MGKRURLOAIMENE-LBPRGKRZSA-N 1 1 359.348 3.216 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000366574095 498984706 /nfs/dbraw/zinc/98/47/06/498984706.db2.gz OKTTZZZTYWPKOF-CYBMUJFWSA-N 1 1 362.430 3.084 20 5 FGBDMO C[NH+](C)[C@@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000291637657 499019338 /nfs/dbraw/zinc/01/93/38/499019338.db2.gz JOVATSPUHZYEHN-HNNXBMFYSA-N 1 1 360.414 3.025 20 5 FGBDMO C[C@@H](C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000570269721 506129251 /nfs/dbraw/zinc/12/92/51/506129251.db2.gz FAMADWPCFMVTET-OXQOHEQNSA-N 1 1 367.449 3.479 20 5 FGBDMO Cn1cc[nH+]c1[C@H]1CCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000366741530 499057328 /nfs/dbraw/zinc/05/73/28/499057328.db2.gz WZSPARBUJZGFGP-JTQLQIEISA-N 1 1 351.204 3.085 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000363951460 499063716 /nfs/dbraw/zinc/06/37/16/499063716.db2.gz GZGHARBSZAWHIA-INIZCTEOSA-N 1 1 357.410 3.315 20 5 FGBDMO CCOc1cc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)ccc1[N+](=O)[O-] ZINC000366787227 499073666 /nfs/dbraw/zinc/07/36/66/499073666.db2.gz KUKYEJLBIDIJDR-ZRGWGRIASA-N 1 1 364.442 3.152 20 5 FGBDMO CCOc1cc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)ccc1[N+](=O)[O-] ZINC000366787227 499073671 /nfs/dbraw/zinc/07/36/71/499073671.db2.gz KUKYEJLBIDIJDR-ZRGWGRIASA-N 1 1 364.442 3.152 20 5 FGBDMO O=C(CC[N@H+]1CCC[C@@H](c2ccncc2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000295706305 499084864 /nfs/dbraw/zinc/08/48/64/499084864.db2.gz FTHADMNHSLIHHM-OAHLLOKOSA-N 1 1 372.400 3.337 20 5 FGBDMO CO[C@@H]1CC[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1(C)C ZINC000295799487 499103711 /nfs/dbraw/zinc/10/37/11/499103711.db2.gz AZAQRTVJPUYTPT-SWLSCSKDSA-N 1 1 360.414 3.453 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000291960149 499111244 /nfs/dbraw/zinc/11/12/44/499111244.db2.gz WKXJWQQKKQHQTC-NVXWUHKLSA-N 1 1 353.422 3.296 20 5 FGBDMO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000369995404 499163365 /nfs/dbraw/zinc/16/33/65/499163365.db2.gz KMBCLGAPSFCWLC-SFHVURJKSA-N 1 1 355.373 3.047 20 5 FGBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000369995404 499163367 /nfs/dbraw/zinc/16/33/67/499163367.db2.gz KMBCLGAPSFCWLC-SFHVURJKSA-N 1 1 355.373 3.047 20 5 FGBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000372734164 499167850 /nfs/dbraw/zinc/16/78/50/499167850.db2.gz BVNSNYCZRZEMCX-OXTHUFEASA-N 1 1 362.429 3.032 20 5 FGBDMO C[N@@H+](C[C@@H]1CC12CCN(C(=O)Nc1cccc([N+](=O)[O-])c1)CC2)C1CC1 ZINC000372839539 499182775 /nfs/dbraw/zinc/18/27/75/499182775.db2.gz SXGJARQGOUSMPM-AWEZNQCLSA-N 1 1 358.442 3.323 20 5 FGBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000367344888 499185577 /nfs/dbraw/zinc/18/55/77/499185577.db2.gz BRHWDMXBYCMJOS-OAHLLOKOSA-N 1 1 357.454 3.498 20 5 FGBDMO COC(=O)c1cc([N+](=O)[O-])c(N2CCC3(CCC[N@H+]3C)CC2)cc1Cl ZINC000372881935 499189019 /nfs/dbraw/zinc/18/90/19/499189019.db2.gz YKHFRWYSYKUWSU-UHFFFAOYSA-N 1 1 367.833 3.099 20 5 FGBDMO CC(=O)c1cc(NC[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000367731705 499229205 /nfs/dbraw/zinc/22/92/05/499229205.db2.gz XRJLHUWVMFCDTC-IFXJQAMLSA-N 1 1 371.441 3.026 20 5 FGBDMO CC(=O)c1cc(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000367731705 499229206 /nfs/dbraw/zinc/22/92/06/499229206.db2.gz XRJLHUWVMFCDTC-IFXJQAMLSA-N 1 1 371.441 3.026 20 5 FGBDMO Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000371464100 499330277 /nfs/dbraw/zinc/33/02/77/499330277.db2.gz OPYBTAMDJOGKNH-NVXWUHKLSA-N 1 1 364.833 3.070 20 5 FGBDMO O=C(CNc1ccccc1[N+](=O)[O-])Nc1cccc2c1C[N@H+](C1CC1)C2 ZINC000371551002 499340878 /nfs/dbraw/zinc/34/08/78/499340878.db2.gz DCUNQRMMKLNQAX-UHFFFAOYSA-N 1 1 352.394 3.123 20 5 FGBDMO C[N@H+]1CC[C@@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccs1 ZINC000369544223 499415362 /nfs/dbraw/zinc/41/53/62/499415362.db2.gz RWLIMZFTQOLZOI-WMLDXEAASA-N 1 1 374.466 3.149 20 5 FGBDMO Cc1cc(C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000369567206 499419256 /nfs/dbraw/zinc/41/92/56/499419256.db2.gz HDRRASDBVUGTKE-PBHICJAKSA-N 1 1 359.451 3.388 20 5 FGBDMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1c1cccs1 ZINC000369569396 499419790 /nfs/dbraw/zinc/41/97/90/499419790.db2.gz NRXGVFLFUSPCGX-IINYFYTJSA-N 1 1 351.453 3.141 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000372384156 499426792 /nfs/dbraw/zinc/42/67/92/499426792.db2.gz POFRPXRUHSFWIB-HNNXBMFYSA-N 1 1 364.442 3.011 20 5 FGBDMO COCCn1cc2c(n1)[C@@H]([NH2+][C@@H]1CCCc3ccc([N+](=O)[O-])cc31)CCC2 ZINC000373209822 499457515 /nfs/dbraw/zinc/45/75/15/499457515.db2.gz XLWMSMLTDVXMMR-MOPGFXCFSA-N 1 1 370.453 3.482 20 5 FGBDMO Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373246295 499459595 /nfs/dbraw/zinc/45/95/95/499459595.db2.gz ODGSWZXWEUOHAH-HNNXBMFYSA-N 1 1 371.441 3.072 20 5 FGBDMO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000373459044 499471151 /nfs/dbraw/zinc/47/11/51/499471151.db2.gz JTPGVIKUXZFLQX-TYCQWZJGSA-N 1 1 369.465 3.128 20 5 FGBDMO Cc1n[nH]cc1C1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000375347381 499509548 /nfs/dbraw/zinc/50/95/48/499509548.db2.gz CVHIAQGEMNQZLJ-UHFFFAOYSA-N 1 1 368.397 3.056 20 5 FGBDMO CN(c1ccc(Br)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000394154306 499561491 /nfs/dbraw/zinc/56/14/91/499561491.db2.gz JLEMLBCIYWNJFF-FUNVUKJBSA-N 1 1 354.248 3.419 20 5 FGBDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000397999708 499565421 /nfs/dbraw/zinc/56/54/21/499565421.db2.gz VGHSERQYQDXGDA-SFHVURJKSA-N 1 1 370.453 3.262 20 5 FGBDMO CN(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000376667286 499627318 /nfs/dbraw/zinc/62/73/18/499627318.db2.gz NYPTUZRTMNEFJU-DFNIBXOVSA-N 1 1 374.485 3.184 20 5 FGBDMO CN(C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000410615187 499670782 /nfs/dbraw/zinc/67/07/82/499670782.db2.gz ONSBSOXKLSNPTA-ZIAGYGMSSA-N 1 1 373.375 3.466 20 5 FGBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C[C@H]1C ZINC000410635706 499671620 /nfs/dbraw/zinc/67/16/20/499671620.db2.gz LXENWSNKYWAVNI-GHMZBOCLSA-N 1 1 359.348 3.168 20 5 FGBDMO O=C(NCc1c[nH+]c2n1CCCC2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000377327945 499680160 /nfs/dbraw/zinc/68/01/60/499680160.db2.gz VBWJMDJYTWEUIM-UHFFFAOYSA-N 1 1 369.425 3.002 20 5 FGBDMO COCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000411148430 499703096 /nfs/dbraw/zinc/70/30/96/499703096.db2.gz LRXHJRQKILVUCS-UHFFFAOYSA-N 1 1 357.410 3.072 20 5 FGBDMO CCOC(=O)c1c(C)[nH]c(C(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1C ZINC000411462274 499743553 /nfs/dbraw/zinc/74/35/53/499743553.db2.gz UJGKSANBWOJLOP-GFCCVEGCSA-N 1 1 373.409 3.250 20 5 FGBDMO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000411532681 499751914 /nfs/dbraw/zinc/75/19/14/499751914.db2.gz ZMIRQKYDGNUNHF-KSSFIOAISA-N 1 1 354.410 3.402 20 5 FGBDMO COc1ccc([C@@H]2CCNC[C@@H]2[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000414894148 499842376 /nfs/dbraw/zinc/84/23/76/499842376.db2.gz YYQVIQOZNFNIJS-RXAWACCASA-N 1 1 367.449 3.352 20 5 FGBDMO C[C@@H]1CN(C(=O)NCc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000413088945 499912306 /nfs/dbraw/zinc/91/23/06/499912306.db2.gz VYJCSHKEWLDSLO-MRXNPFEDSA-N 1 1 368.437 3.011 20 5 FGBDMO C[C@@H]1CN(C(=O)NCc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000413088945 499912307 /nfs/dbraw/zinc/91/23/07/499912307.db2.gz VYJCSHKEWLDSLO-MRXNPFEDSA-N 1 1 368.437 3.011 20 5 FGBDMO Cc1nc(C[NH+]2CCC(CNc3ncc([N+](=O)[O-])cc3F)CC2)oc1C ZINC000413134127 499917893 /nfs/dbraw/zinc/91/78/93/499917893.db2.gz ICZDCPQRBARHLL-UHFFFAOYSA-N 1 1 363.393 3.058 20 5 FGBDMO CC[C@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000429206756 500023636 /nfs/dbraw/zinc/02/36/36/500023636.db2.gz GWWNKIUHXCGAGI-JQWIXIFHSA-N 1 1 362.257 3.183 20 5 FGBDMO CC[C@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000429206756 500023639 /nfs/dbraw/zinc/02/36/39/500023639.db2.gz GWWNKIUHXCGAGI-JQWIXIFHSA-N 1 1 362.257 3.183 20 5 FGBDMO COc1ccccc1N1CC[C@H]([NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])C1=O ZINC000429264018 500037057 /nfs/dbraw/zinc/03/70/57/500037057.db2.gz NQSUXOHFBOKVHE-HNNXBMFYSA-N 1 1 369.421 3.234 20 5 FGBDMO Cc1ccc(C)c(C[N@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000429293755 500045230 /nfs/dbraw/zinc/04/52/30/500045230.db2.gz MBBNLGPFUIZXSC-UHFFFAOYSA-N 1 1 371.393 3.011 20 5 FGBDMO Cc1ccc(C)c(C[N@@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000429293755 500045233 /nfs/dbraw/zinc/04/52/33/500045233.db2.gz MBBNLGPFUIZXSC-UHFFFAOYSA-N 1 1 371.393 3.011 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(N3C[C@@H]4CC[N@@H+](Cc5ccccc5)[C@@H]4C3)nc2c1 ZINC000425274333 500062538 /nfs/dbraw/zinc/06/25/38/500062538.db2.gz LJCFOAJFQGQOMH-HNAYVOBHSA-N 1 1 363.421 3.182 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000421710405 500125775 /nfs/dbraw/zinc/12/57/75/500125775.db2.gz KKZTWRATDONEKG-AWEZNQCLSA-N 1 1 351.472 3.262 20 5 FGBDMO O=C(CC[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000425550460 500143160 /nfs/dbraw/zinc/14/31/60/500143160.db2.gz ILSACWVGCSXBOX-LJQANCHMSA-N 1 1 373.453 3.205 20 5 FGBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000429805449 500147992 /nfs/dbraw/zinc/14/79/92/500147992.db2.gz INTFLVRTNAWKSX-HNNXBMFYSA-N 1 1 361.486 3.499 20 5 FGBDMO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000430085000 500190369 /nfs/dbraw/zinc/19/03/69/500190369.db2.gz LMXVEUDGZDXNGL-XYBJCVHJSA-N 1 1 366.417 3.425 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000430211697 500210134 /nfs/dbraw/zinc/21/01/34/500210134.db2.gz YCDXPGPQDFTRSA-MRXNPFEDSA-N 1 1 369.421 3.454 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CN1CCCC1=O)c1ccccc1 ZINC000430226890 500211808 /nfs/dbraw/zinc/21/18/08/500211808.db2.gz NXQWGJMZXINVHB-GOSISDBHSA-N 1 1 369.421 3.057 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000430301531 500223874 /nfs/dbraw/zinc/22/38/74/500223874.db2.gz KBHBUNOHNMTJAT-OAHLLOKOSA-N 1 1 369.421 3.088 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000430351367 500230038 /nfs/dbraw/zinc/23/00/38/500230038.db2.gz JTSSCBUATFHXGI-INIZCTEOSA-N 1 1 369.421 3.088 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC(OC4CCC4)CC3)n2)cc1 ZINC000419304369 500350960 /nfs/dbraw/zinc/35/09/60/500350960.db2.gz PJKMMJKRHGKBQY-UHFFFAOYSA-N 1 1 358.398 3.178 20 5 FGBDMO CCc1ccccc1[C@H]([NH3+])CN[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423496890 500379553 /nfs/dbraw/zinc/37/95/53/500379553.db2.gz FSQVOFYRNSXFMT-AUUYWEPGSA-N 1 1 370.453 3.164 20 5 FGBDMO CCC[N@H+]1CCC[C@H]1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000427600365 500410072 /nfs/dbraw/zinc/41/00/72/500410072.db2.gz TUTHELGKEDPVSZ-AWEZNQCLSA-N 1 1 359.348 3.104 20 5 FGBDMO CN(c1ccccc1)c1ccc(C[N@H+]2C[C@H](O)C3(CC3)C2)cc1[N+](=O)[O-] ZINC000428369000 500501382 /nfs/dbraw/zinc/50/13/82/500501382.db2.gz GVSHAWQSVHDHGG-IBGZPJMESA-N 1 1 353.422 3.319 20 5 FGBDMO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC(OC(C)(C)C)C1 ZINC000421004972 500552158 /nfs/dbraw/zinc/55/21/58/500552158.db2.gz IXTPDYKJVZYNNT-UHFFFAOYSA-N 1 1 360.414 3.423 20 5 FGBDMO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC(OC(C)(C)C)C1 ZINC000421004972 500552160 /nfs/dbraw/zinc/55/21/60/500552160.db2.gz IXTPDYKJVZYNNT-UHFFFAOYSA-N 1 1 360.414 3.423 20 5 FGBDMO CCN1CCC([N@@H+]2CCCN([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000421020092 500556433 /nfs/dbraw/zinc/55/64/33/500556433.db2.gz YWKKZJDJMUYHHI-QGZVFWFLSA-N 1 1 360.502 3.148 20 5 FGBDMO CCN1CCC([N@H+]2CCCN([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000421020092 500556435 /nfs/dbraw/zinc/55/64/35/500556435.db2.gz YWKKZJDJMUYHHI-QGZVFWFLSA-N 1 1 360.502 3.148 20 5 FGBDMO CN(C(=O)C[N@H+]1CCC[C@@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000433058208 500616080 /nfs/dbraw/zinc/61/60/80/500616080.db2.gz PFAHJEONDGOFKZ-QGZVFWFLSA-N 1 1 353.422 3.437 20 5 FGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000433072870 500619577 /nfs/dbraw/zinc/61/95/77/500619577.db2.gz QJYLAIQSVYNQRL-LJQANCHMSA-N 1 1 358.438 3.417 20 5 FGBDMO COCC[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@H]1CCCSC1 ZINC000433182204 500641169 /nfs/dbraw/zinc/64/11/69/500641169.db2.gz MTKYVNLMXBANDZ-ZDUSSCGKSA-N 1 1 358.435 3.087 20 5 FGBDMO COCC[N@@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@H]1CCCSC1 ZINC000433182204 500641171 /nfs/dbraw/zinc/64/11/71/500641171.db2.gz MTKYVNLMXBANDZ-ZDUSSCGKSA-N 1 1 358.435 3.087 20 5 FGBDMO C[N@H+]1CCC[C@@H](CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]1c1cccs1 ZINC000447688378 500646282 /nfs/dbraw/zinc/64/62/82/500646282.db2.gz XQJAVBUISDLZTN-YVEFUNNKSA-N 1 1 371.466 3.450 20 5 FGBDMO CNc1c(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)cccc1[N+](=O)[O-] ZINC000437877595 500710855 /nfs/dbraw/zinc/71/08/55/500710855.db2.gz YLEZGTCPFUYXJH-OAHLLOKOSA-N 1 1 360.458 3.163 20 5 FGBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC000448193800 500731312 /nfs/dbraw/zinc/73/13/12/500731312.db2.gz OLJKYNHSGOZJRG-WCQYABFASA-N 1 1 371.359 3.170 20 5 FGBDMO COc1ccc(-c2ccc(C[NH2+]CC3(N(C)C)CCC3)o2)c([N+](=O)[O-])c1 ZINC000438338586 500773094 /nfs/dbraw/zinc/77/30/94/500773094.db2.gz BEZPNUBAKBQXDS-UHFFFAOYSA-N 1 1 359.426 3.437 20 5 FGBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000438844088 500825996 /nfs/dbraw/zinc/82/59/96/500825996.db2.gz XJDUFOFYOGVHMJ-MAUKXSAKSA-N 1 1 362.474 3.466 20 5 FGBDMO Cc1c(NC(=O)CC[N@@H+]2CCOc3c(F)cccc3C2)cccc1[N+](=O)[O-] ZINC000434623318 500868228 /nfs/dbraw/zinc/86/82/28/500868228.db2.gz KVYACWOMCBRDAD-UHFFFAOYSA-N 1 1 373.384 3.266 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CCOc3c(F)cccc3C2)cccc1[N+](=O)[O-] ZINC000434623318 500868231 /nfs/dbraw/zinc/86/82/31/500868231.db2.gz KVYACWOMCBRDAD-UHFFFAOYSA-N 1 1 373.384 3.266 20 5 FGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444664141 500875163 /nfs/dbraw/zinc/87/51/63/500875163.db2.gz MWLMVPVNQWONRF-LZWOXQAQSA-N 1 1 357.458 3.308 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000444721599 500887924 /nfs/dbraw/zinc/88/79/24/500887924.db2.gz WIOLDNSPAUPUKK-XHDPSFHLSA-N 1 1 362.348 3.129 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000444721599 500887926 /nfs/dbraw/zinc/88/79/26/500887926.db2.gz WIOLDNSPAUPUKK-XHDPSFHLSA-N 1 1 362.348 3.129 20 5 FGBDMO C[C@@H](CN1CCOCC1)[N@@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000435055902 500927964 /nfs/dbraw/zinc/92/79/64/500927964.db2.gz JVZHFVIFKZIPDF-HNNXBMFYSA-N 1 1 359.426 3.007 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1 ZINC000611615570 506228721 /nfs/dbraw/zinc/22/87/21/506228721.db2.gz CUBBFBOVGLFHSR-UHFFFAOYSA-N 1 1 358.417 3.458 20 5 FGBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H](CO)c1ccccc1 ZINC000449459653 501007890 /nfs/dbraw/zinc/00/78/90/501007890.db2.gz YELQGBGCMQPRTL-OAHLLOKOSA-N 1 1 352.337 3.362 20 5 FGBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H](CO)c1ccccc1 ZINC000449459653 501007893 /nfs/dbraw/zinc/00/78/93/501007893.db2.gz YELQGBGCMQPRTL-OAHLLOKOSA-N 1 1 352.337 3.362 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@@H](OC)[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000449493545 501017007 /nfs/dbraw/zinc/01/70/07/501017007.db2.gz FBAHNYXQQKKPED-GXFFZTMASA-N 1 1 360.357 3.062 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CC(C)(C)O[C@@H]3CCC[C@H]32)cccc1[N+](=O)[O-] ZINC000440971410 501069820 /nfs/dbraw/zinc/06/98/20/501069820.db2.gz ZHMFGPKDGCMESQ-IAGOWNOFSA-N 1 1 361.442 3.264 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@@]3(CCSC3)C2)c([N+](=O)[O-])cc1OC ZINC000449731368 501070891 /nfs/dbraw/zinc/07/08/91/501070891.db2.gz IJTJJSWADWABKR-QGZVFWFLSA-N 1 1 352.456 3.331 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@]3(CCSC3)C2)c2c(c1)COCO2 ZINC000449737645 501072128 /nfs/dbraw/zinc/07/21/28/501072128.db2.gz ZKDOPPCSQYDORF-QGZVFWFLSA-N 1 1 350.440 3.180 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+](C)Cc2ccc(C)c(C)c2)cc1[N+](=O)[O-] ZINC000449761698 501079389 /nfs/dbraw/zinc/07/93/89/501079389.db2.gz ADCDJHYQTKKTOP-UHFFFAOYSA-N 1 1 372.421 3.395 20 5 FGBDMO Cc1nc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000450347265 501096848 /nfs/dbraw/zinc/09/68/48/501096848.db2.gz OUMNJKOWAUVAED-RHSMWYFYSA-N 1 1 355.442 3.183 20 5 FGBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ncc([N+](=O)[O-])c(C)n1 ZINC000450361872 501100447 /nfs/dbraw/zinc/10/04/47/501100447.db2.gz GSYIQQUVEXBHNW-QGZVFWFLSA-N 1 1 355.442 3.042 20 5 FGBDMO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000450391990 501109740 /nfs/dbraw/zinc/10/97/40/501109740.db2.gz NZTGBALIBWJJQQ-KXBFYZLASA-N 1 1 369.469 3.430 20 5 FGBDMO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000450531906 501146914 /nfs/dbraw/zinc/14/69/14/501146914.db2.gz VFPTZOSHFZBXSV-CZUORRHYSA-N 1 1 374.466 3.018 20 5 FGBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000451075451 501243495 /nfs/dbraw/zinc/24/34/95/501243495.db2.gz AYMJNFDDXAWDDV-UHFFFAOYSA-N 1 1 373.840 3.249 20 5 FGBDMO CCCCc1nnc(NC(=O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000451102758 501245810 /nfs/dbraw/zinc/24/58/10/501245810.db2.gz KUIGSRDCHIJNLA-NSHDSACASA-N 1 1 363.443 3.078 20 5 FGBDMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000451222663 501253176 /nfs/dbraw/zinc/25/31/76/501253176.db2.gz NBCZGJRARLVVNP-QWHCGFSZSA-N 1 1 359.813 3.029 20 5 FGBDMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000451222663 501253177 /nfs/dbraw/zinc/25/31/77/501253177.db2.gz NBCZGJRARLVVNP-QWHCGFSZSA-N 1 1 359.813 3.029 20 5 FGBDMO CCOc1cc(C[N@@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)ccc1[N+](=O)[O-] ZINC000451280487 501257221 /nfs/dbraw/zinc/25/72/21/501257221.db2.gz GTRZCYOOECDYPO-XLIONFOSSA-N 1 1 374.412 3.294 20 5 FGBDMO CCOc1cc(C[N@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)ccc1[N+](=O)[O-] ZINC000451280487 501257222 /nfs/dbraw/zinc/25/72/22/501257222.db2.gz GTRZCYOOECDYPO-XLIONFOSSA-N 1 1 374.412 3.294 20 5 FGBDMO CC1(C)C[C@@H]([NH2+]Cc2nc(-c3ccccn3)n[nH]2)c2cc([N+](=O)[O-])ccc21 ZINC000453344366 501318013 /nfs/dbraw/zinc/31/80/13/501318013.db2.gz HCDUESUEISDSKX-MRXNPFEDSA-N 1 1 364.409 3.287 20 5 FGBDMO COc1ccnc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1OC ZINC000451547260 501319141 /nfs/dbraw/zinc/31/91/41/501319141.db2.gz KVQCXNWLBBIFRE-HNNXBMFYSA-N 1 1 357.410 3.387 20 5 FGBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](C[C@H](O)COc3ccccc3F)C2)cc1 ZINC000451550413 501320987 /nfs/dbraw/zinc/32/09/87/501320987.db2.gz ROGDOCPHGITIOX-WMZOPIPTSA-N 1 1 374.412 3.353 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@@H]4C[C@@H](O)CC[C@@H]4C3)co2)cc1 ZINC000451704763 501356085 /nfs/dbraw/zinc/35/60/85/501356085.db2.gz XQXQKXCTOUQPDN-RKVPGOIHSA-N 1 1 357.410 3.233 20 5 FGBDMO O=c1[nH]ccc(NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c1[N+](=O)[O-] ZINC000596088727 506250080 /nfs/dbraw/zinc/25/00/80/506250080.db2.gz QZWKQJHHJPYLBE-UHFFFAOYSA-N 1 1 364.352 3.050 20 5 FGBDMO COc1cc(C[NH+]2CCC(OCCOC(C)C)CC2)c([N+](=O)[O-])cc1F ZINC000451951451 501407270 /nfs/dbraw/zinc/40/72/70/501407270.db2.gz LJQQCHSVJTUFNH-UHFFFAOYSA-N 1 1 370.421 3.149 20 5 FGBDMO COc1ccc(N2CC[NH+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)nc1 ZINC000452058029 501426967 /nfs/dbraw/zinc/42/69/67/501426967.db2.gz LWBIHNZWXNALTG-OAHLLOKOSA-N 1 1 356.426 3.190 20 5 FGBDMO CC(C)[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC(C)(C)C1 ZINC000452107118 501436759 /nfs/dbraw/zinc/43/67/59/501436759.db2.gz RMRDDUPKVHYVQG-UHFFFAOYSA-N 1 1 354.472 3.268 20 5 FGBDMO CC(C)[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC(C)(C)C1 ZINC000452107118 501436762 /nfs/dbraw/zinc/43/67/62/501436762.db2.gz RMRDDUPKVHYVQG-UHFFFAOYSA-N 1 1 354.472 3.268 20 5 FGBDMO C[N@H+](CC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)Cc1ccccc1 ZINC000452838117 501571229 /nfs/dbraw/zinc/57/12/29/501571229.db2.gz FBLCSMPDCVQJMQ-LJQANCHMSA-N 1 1 367.449 3.433 20 5 FGBDMO C[N@@H+](CC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)Cc1ccccc1 ZINC000452838117 501571230 /nfs/dbraw/zinc/57/12/30/501571230.db2.gz FBLCSMPDCVQJMQ-LJQANCHMSA-N 1 1 367.449 3.433 20 5 FGBDMO C[NH+](C)[C@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)c1ccccc1Cl ZINC000611699468 506262866 /nfs/dbraw/zinc/26/28/66/506262866.db2.gz CKBMHOSXVCXTQV-QGZVFWFLSA-N 1 1 371.828 3.328 20 5 FGBDMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000454771102 501626450 /nfs/dbraw/zinc/62/64/50/501626450.db2.gz UTMXIKOKHPMBQX-HOTGVXAUSA-N 1 1 370.453 3.476 20 5 FGBDMO C[C@@H](NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C1=CC[N@@H+](C)CC1 ZINC000454777490 501627854 /nfs/dbraw/zinc/62/78/54/501627854.db2.gz QVTHMSGFTYIACT-QAPCUYQASA-N 1 1 372.469 3.134 20 5 FGBDMO CC1(C)CCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000457061421 501643096 /nfs/dbraw/zinc/64/30/96/501643096.db2.gz UDWVHBPGSIJESH-UHFFFAOYSA-N 1 1 359.348 3.218 20 5 FGBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000457087123 501648204 /nfs/dbraw/zinc/64/82/04/501648204.db2.gz PZBMKQAZCZVBCA-DZGCQCFKSA-N 1 1 351.472 3.017 20 5 FGBDMO CC[N@@H+]1C[C@@H](C)N(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)C1 ZINC000459485276 501661862 /nfs/dbraw/zinc/66/18/62/501661862.db2.gz TZFBHANFMAOYKY-GASCZTMLSA-N 1 1 358.442 3.207 20 5 FGBDMO CCN1C[C@@H](C)[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)C1 ZINC000459485276 501661866 /nfs/dbraw/zinc/66/18/66/501661866.db2.gz TZFBHANFMAOYKY-GASCZTMLSA-N 1 1 358.442 3.207 20 5 FGBDMO O=[N+]([O-])c1cccnc1N1CC[NH+]([C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000459516621 501667769 /nfs/dbraw/zinc/66/77/69/501667769.db2.gz VPWNSXIEXIUPKV-QGZVFWFLSA-N 1 1 356.401 3.329 20 5 FGBDMO CCn1nncc1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000598986383 506262855 /nfs/dbraw/zinc/26/28/55/506262855.db2.gz NKSOUCKHKWNRLM-UHFFFAOYSA-N 1 1 361.789 3.409 20 5 FGBDMO COC(=O)COc1ccc([C@@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000467182219 501729203 /nfs/dbraw/zinc/72/92/03/501729203.db2.gz MXTYEKGLRCWDFC-LLVKDONJSA-N 1 1 350.396 3.059 20 5 FGBDMO C[C@]1(Cc2ccccc2)CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000467219686 501741834 /nfs/dbraw/zinc/74/18/34/501741834.db2.gz URXYMEGSEJNPGQ-TZIWHRDSSA-N 1 1 370.449 3.432 20 5 FGBDMO CCCN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CC[N@@H+](C)C1 ZINC000592832721 506271006 /nfs/dbraw/zinc/27/10/06/506271006.db2.gz VNNQLRQLRVZKEM-OAHLLOKOSA-N 1 1 374.466 3.275 20 5 FGBDMO Cc1c(CNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000481472006 501785281 /nfs/dbraw/zinc/78/52/81/501785281.db2.gz IPZMOURYOSBSDM-KRWDZBQOSA-N 1 1 361.829 3.476 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000460718414 501903231 /nfs/dbraw/zinc/90/32/31/501903231.db2.gz LBNHDQDMFBPASZ-KRWDZBQOSA-N 1 1 353.422 3.298 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000485740746 501921416 /nfs/dbraw/zinc/92/14/16/501921416.db2.gz ATZGUFKZBBCJSQ-MRXNPFEDSA-N 1 1 369.421 3.454 20 5 FGBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C[C@H]1COc2ccccc2O1 ZINC000485741258 501921488 /nfs/dbraw/zinc/92/14/88/501921488.db2.gz CODUMKUQYSWXOS-HNNXBMFYSA-N 1 1 358.394 3.265 20 5 FGBDMO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@H+]1Cc1ccccc1 ZINC000596151236 506281955 /nfs/dbraw/zinc/28/19/55/506281955.db2.gz BWZPZINWAYJDLU-PBHICJAKSA-N 1 1 368.437 3.159 20 5 FGBDMO COC(=O)c1cc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(C)c1[N+](=O)[O-] ZINC000474772209 501947615 /nfs/dbraw/zinc/94/76/15/501947615.db2.gz DPQGIHBLGLYMJS-MRXNPFEDSA-N 1 1 369.421 3.376 20 5 FGBDMO O=C(C[N@@H+](CCO)CC1CCCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000485862299 501965644 /nfs/dbraw/zinc/96/56/44/501965644.db2.gz KZOVOBBDAQOFAV-UHFFFAOYSA-N 1 1 369.849 3.061 20 5 FGBDMO CCC1(CC)C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000464576769 502032758 /nfs/dbraw/zinc/03/27/58/502032758.db2.gz MGKITAXTVQSFQM-UHFFFAOYSA-N 1 1 351.472 3.165 20 5 FGBDMO CCC1(CC)C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000464576769 502032759 /nfs/dbraw/zinc/03/27/59/502032759.db2.gz MGKITAXTVQSFQM-UHFFFAOYSA-N 1 1 351.472 3.165 20 5 FGBDMO Cc1cccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000475319883 502133234 /nfs/dbraw/zinc/13/32/34/502133234.db2.gz JEHBHKZAZPIVBR-QGZVFWFLSA-N 1 1 353.422 3.250 20 5 FGBDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000486424005 502149686 /nfs/dbraw/zinc/14/96/86/502149686.db2.gz UEHBUAMZIDRRAE-INIZCTEOSA-N 1 1 361.486 3.499 20 5 FGBDMO CCOc1cc(N2CC[NH+](Cc3cnccc3C)CC2)ccc1[N+](=O)[O-] ZINC000475502626 502193516 /nfs/dbraw/zinc/19/35/16/502193516.db2.gz OEFPGHVDWVZMTC-UHFFFAOYSA-N 1 1 356.426 3.019 20 5 FGBDMO C[C@@H]1[C@@H](C)CC[N@@H+]1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000482850785 502197177 /nfs/dbraw/zinc/19/71/77/502197177.db2.gz ALNYFTUQCPOYQG-NWDGAFQWSA-N 1 1 360.439 3.387 20 5 FGBDMO C[C@@H]1[C@@H](C)CC[N@H+]1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000482850785 502197181 /nfs/dbraw/zinc/19/71/81/502197181.db2.gz ALNYFTUQCPOYQG-NWDGAFQWSA-N 1 1 360.439 3.387 20 5 FGBDMO C[C@@H]1CC[N@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)[C@H]1C ZINC000482850784 502197847 /nfs/dbraw/zinc/19/78/47/502197847.db2.gz ALNYFTUQCPOYQG-NEPJUHHUSA-N 1 1 360.439 3.387 20 5 FGBDMO C[C@@H]1CC[N@@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)[C@H]1C ZINC000482850784 502197854 /nfs/dbraw/zinc/19/78/54/502197854.db2.gz ALNYFTUQCPOYQG-NEPJUHHUSA-N 1 1 360.439 3.387 20 5 FGBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000461788666 502201289 /nfs/dbraw/zinc/20/12/89/502201289.db2.gz AUDJYJDPZCNWIL-AWEZNQCLSA-N 1 1 350.463 3.250 20 5 FGBDMO COCC[N@H+]1CCN(c2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)C[C@@H]1C ZINC000461949738 502249871 /nfs/dbraw/zinc/24/98/71/502249871.db2.gz RUAAUUORMMLMBM-LBPRGKRZSA-N 1 1 361.364 3.079 20 5 FGBDMO C[C@@]1(C(N)=O)CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000475677567 502252366 /nfs/dbraw/zinc/25/23/66/502252366.db2.gz GNDYFMVOJXJBSS-LJQANCHMSA-N 1 1 373.384 3.224 20 5 FGBDMO CC[C@@]1(C)CCC[N@@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000475705581 502259340 /nfs/dbraw/zinc/25/93/40/502259340.db2.gz KXEFATGHZHKAJY-SFHVURJKSA-N 1 1 350.415 3.159 20 5 FGBDMO CC(C)C[C@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)[NH+]1CCOCC1 ZINC000462085783 502302066 /nfs/dbraw/zinc/30/20/66/502302066.db2.gz BRDJEKMOBCOQGW-CQSZACIVSA-N 1 1 373.400 3.355 20 5 FGBDMO Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000487030884 502336031 /nfs/dbraw/zinc/33/60/31/502336031.db2.gz SJIFDOBPDXMYQY-GOSISDBHSA-N 1 1 367.449 3.198 20 5 FGBDMO Cc1noc(C[N@H+]2CCC[C@H](Cn3cnc4ccccc43)C2)c1[N+](=O)[O-] ZINC000602814218 506311783 /nfs/dbraw/zinc/31/17/83/506311783.db2.gz YGUXUQMLGIRYJN-AWEZNQCLSA-N 1 1 355.398 3.153 20 5 FGBDMO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000466215447 502506169 /nfs/dbraw/zinc/50/61/69/502506169.db2.gz DUNNKHOXKGJIFR-CYBMUJFWSA-N 1 1 366.849 3.064 20 5 FGBDMO Cc1[nH+]cn(-c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3N)cc2)c1C ZINC000462768050 502563330 /nfs/dbraw/zinc/56/33/30/502563330.db2.gz UNCITIZTJAZRHV-UHFFFAOYSA-N 1 1 351.366 3.232 20 5 FGBDMO O=[N+]([O-])c1ccccc1/C=C\CNc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000462877093 502609704 /nfs/dbraw/zinc/60/97/04/502609704.db2.gz MMDJANPGYULWGF-BQHGXPCASA-N 1 1 353.422 3.287 20 5 FGBDMO CNc1c(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cccc1[N+](=O)[O-] ZINC000462987462 502651112 /nfs/dbraw/zinc/65/11/12/502651112.db2.gz HTMAYSGHEMFLSP-HOTGVXAUSA-N 1 1 374.485 3.363 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470137094 502673998 /nfs/dbraw/zinc/67/39/98/502673998.db2.gz REFRGVZVWVZEGO-UGSOOPFHSA-N 1 1 372.400 3.376 20 5 FGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(CCN2CCOCC2)CC1 ZINC000470184768 502700499 /nfs/dbraw/zinc/70/04/99/502700499.db2.gz XBLBBQSNBJKXMH-SDXDJHTJSA-N 1 1 373.497 3.432 20 5 FGBDMO COc1cc(C[N@@H+](C)CC[C@@H]2CCCO2)c([N+](=O)[O-])cc1OC(F)F ZINC000467134271 502798684 /nfs/dbraw/zinc/79/86/84/502798684.db2.gz UQASRYYRFJNBPN-LBPRGKRZSA-N 1 1 360.357 3.206 20 5 FGBDMO COCC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C[C@H]1CC=CCC1 ZINC000485113965 502816587 /nfs/dbraw/zinc/81/65/87/502816587.db2.gz QDDRAPJMEOTXSE-INIZCTEOSA-N 1 1 361.442 3.146 20 5 FGBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCC[C@@H](n3ccnn3)CC2)c1 ZINC000602891184 506339736 /nfs/dbraw/zinc/33/97/36/506339736.db2.gz FQWAXUSRVXDCIZ-CYBMUJFWSA-N 1 1 369.347 3.432 20 5 FGBDMO COCc1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000599139970 506340898 /nfs/dbraw/zinc/34/08/98/506340898.db2.gz QZQIELSSTPMQPS-SFHVURJKSA-N 1 1 371.437 3.436 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCN(c2ccccc2F)CC1 ZINC000513380341 502919670 /nfs/dbraw/zinc/91/96/70/502919670.db2.gz GCLJZHCXFHDUQF-UHFFFAOYSA-N 1 1 359.401 3.455 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCN(c2ccccc2F)CC1 ZINC000513380341 502919675 /nfs/dbraw/zinc/91/96/75/502919675.db2.gz GCLJZHCXFHDUQF-UHFFFAOYSA-N 1 1 359.401 3.455 20 5 FGBDMO C[C@H](CN1CCOCC1)[N@@H+](Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000513434879 502938598 /nfs/dbraw/zinc/93/85/98/502938598.db2.gz OERKFCWNYMSWCN-GOSISDBHSA-N 1 1 369.465 3.318 20 5 FGBDMO CC[N@H+](CCCO)[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000489399678 502948731 /nfs/dbraw/zinc/94/87/31/502948731.db2.gz YXODJVDSQYDRLY-LJQANCHMSA-N 1 1 371.437 3.287 20 5 FGBDMO CC[N@@H+](CCCO)[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000489399678 502948735 /nfs/dbraw/zinc/94/87/35/502948735.db2.gz YXODJVDSQYDRLY-LJQANCHMSA-N 1 1 371.437 3.287 20 5 FGBDMO CC(C)[N@H+](Cc1cccc(F)c1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000513515230 502957406 /nfs/dbraw/zinc/95/74/06/502957406.db2.gz NDULEEZOLJBLJZ-SFHVURJKSA-N 1 1 362.401 3.384 20 5 FGBDMO COC(=O)[C@H](CC(C)C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000509653579 502957983 /nfs/dbraw/zinc/95/79/83/502957983.db2.gz BAZSIXBRVXRKTG-KRWDZBQOSA-N 1 1 350.415 3.026 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000489451793 502961529 /nfs/dbraw/zinc/96/15/29/502961529.db2.gz SJZZWRMKYPGVSV-GRZALLJUSA-N 1 1 374.485 3.336 20 5 FGBDMO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC2)C1 ZINC000505780635 502985302 /nfs/dbraw/zinc/98/53/02/502985302.db2.gz AYXOONGHZHYIJO-AWEZNQCLSA-N 1 1 363.433 3.204 20 5 FGBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593036381 506350675 /nfs/dbraw/zinc/35/06/75/506350675.db2.gz DSVQJDOPIFGUOF-KBXCAEBGSA-N 1 1 371.412 3.228 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1ccc([N+](=O)[O-])cc1 ZINC000514086234 503083717 /nfs/dbraw/zinc/08/37/17/503083717.db2.gz ZWRHNNMFUHHCLJ-HKUYNNGSSA-N 1 1 364.405 3.011 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000514089348 503084191 /nfs/dbraw/zinc/08/41/91/503084191.db2.gz OXSLQGHGZVWHMJ-PKOBYXMFSA-N 1 1 364.405 3.011 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000596308772 506351219 /nfs/dbraw/zinc/35/12/19/506351219.db2.gz UIZLLVOMOFYHRA-OAHLLOKOSA-N 1 1 360.458 3.116 20 5 FGBDMO Cc1c(C[N@H+]2CCC[C@H](CNC(=O)CC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000510874134 503208311 /nfs/dbraw/zinc/20/83/11/503208311.db2.gz IHYNBXYZKZGEPA-CYBMUJFWSA-N 1 1 373.375 3.184 20 5 FGBDMO C[C@@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)[N@H+]1CCCC[C@H]1C ZINC000510875792 503208421 /nfs/dbraw/zinc/20/84/21/503208421.db2.gz FNSPBSIMLPIWDG-CVEARBPZSA-N 1 1 362.474 3.042 20 5 FGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000510970714 503227431 /nfs/dbraw/zinc/22/74/31/503227431.db2.gz SVFITDQWAZRKBO-STQMWFEESA-N 1 1 373.375 3.436 20 5 FGBDMO Cc1ccc(CN(C(=O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000511072102 503246498 /nfs/dbraw/zinc/24/64/98/503246498.db2.gz JDVDXCPUFXPWGQ-UHFFFAOYSA-N 1 1 371.437 3.162 20 5 FGBDMO Cc1ccc(CN(C(=O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000511072102 503246500 /nfs/dbraw/zinc/24/65/00/503246500.db2.gz JDVDXCPUFXPWGQ-UHFFFAOYSA-N 1 1 371.437 3.162 20 5 FGBDMO Cc1ccc(CNC(=O)[C@H](C)[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000511072730 503247330 /nfs/dbraw/zinc/24/73/30/503247330.db2.gz HBZWWHPEHCCURH-INIZCTEOSA-N 1 1 355.438 3.082 20 5 FGBDMO Cc1ccc(CNC(=O)[C@H](C)[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000511072730 503247333 /nfs/dbraw/zinc/24/73/33/503247333.db2.gz HBZWWHPEHCCURH-INIZCTEOSA-N 1 1 355.438 3.082 20 5 FGBDMO C[N@@H+](CCC(=O)N1CCCc2ccccc21)CCc1ccccc1[N+](=O)[O-] ZINC000511127874 503262847 /nfs/dbraw/zinc/26/28/47/503262847.db2.gz XKXQRDWFUKUSND-UHFFFAOYSA-N 1 1 367.449 3.439 20 5 FGBDMO CCc1cc(N(C)[C@H]2CC[N@H+](C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000498912369 503291184 /nfs/dbraw/zinc/29/11/84/503291184.db2.gz USRIZQSKDKQKFA-SFHVURJKSA-N 1 1 367.453 3.287 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC2(CCSCC2)CC1 ZINC000602947520 506362760 /nfs/dbraw/zinc/36/27/60/506362760.db2.gz PSBBCZWHPATGIP-UHFFFAOYSA-N 1 1 363.483 3.451 20 5 FGBDMO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000503215593 503370018 /nfs/dbraw/zinc/37/00/18/503370018.db2.gz JXWSLQXRHQDALG-MRXNPFEDSA-N 1 1 371.437 3.125 20 5 FGBDMO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000503215593 503370021 /nfs/dbraw/zinc/37/00/21/503370021.db2.gz JXWSLQXRHQDALG-MRXNPFEDSA-N 1 1 371.437 3.125 20 5 FGBDMO CCOc1cc(C[N@@H+](CCO)[C@H]2CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000492795880 503386467 /nfs/dbraw/zinc/38/64/67/503386467.db2.gz ZYMGEZKPWIIYBP-SFHVURJKSA-N 1 1 356.422 3.475 20 5 FGBDMO COc1cccc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)c1Cl ZINC000602963056 506368535 /nfs/dbraw/zinc/36/85/35/506368535.db2.gz SMGZXWRNTSTIIM-QGZVFWFLSA-N 1 1 350.802 3.254 20 5 FGBDMO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000499447911 503407126 /nfs/dbraw/zinc/40/71/26/503407126.db2.gz PAVNVWIEWVKJDX-CVEARBPZSA-N 1 1 353.422 3.330 20 5 FGBDMO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000499447911 503407129 /nfs/dbraw/zinc/40/71/29/503407129.db2.gz PAVNVWIEWVKJDX-CVEARBPZSA-N 1 1 353.422 3.330 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000508126991 503437153 /nfs/dbraw/zinc/43/71/53/503437153.db2.gz GWISBSZIYIWIIU-GJZGRUSLSA-N 1 1 365.499 3.456 20 5 FGBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000503593084 503443741 /nfs/dbraw/zinc/44/37/41/503443741.db2.gz TXIDXOTYHOTOKU-MRXNPFEDSA-N 1 1 363.458 3.135 20 5 FGBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000499745098 503472685 /nfs/dbraw/zinc/47/26/85/503472685.db2.gz WEZIYEXJZKPGDY-KRWDZBQOSA-N 1 1 374.485 3.189 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000494058348 503480929 /nfs/dbraw/zinc/48/09/29/503480929.db2.gz FQOGUBBMGWJRFP-YJBOKZPZSA-N 1 1 353.422 3.296 20 5 FGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+](CCO)[C@@H]2CCc3ccccc32)cc1 ZINC000512353045 503526995 /nfs/dbraw/zinc/52/69/95/503526995.db2.gz RVIHYDWCUGMURR-HXUWFJFHSA-N 1 1 356.422 3.346 20 5 FGBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000516682229 503567914 /nfs/dbraw/zinc/56/79/14/503567914.db2.gz ADCOGXIBWUZSQR-FZKCQIBNSA-N 1 1 362.474 3.321 20 5 FGBDMO COc1ccc([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000504539256 503585531 /nfs/dbraw/zinc/58/55/31/503585531.db2.gz PUPVKGCFXKMNBH-ZBFHGGJFSA-N 1 1 369.421 3.420 20 5 FGBDMO COc1ccc([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000504539256 503585533 /nfs/dbraw/zinc/58/55/33/503585533.db2.gz PUPVKGCFXKMNBH-ZBFHGGJFSA-N 1 1 369.421 3.420 20 5 FGBDMO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000500415850 503618582 /nfs/dbraw/zinc/61/85/82/503618582.db2.gz LQYCFNXDDDUVFP-SNVBAGLBSA-N 1 1 364.789 3.115 20 5 FGBDMO C[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccc(-n2ccnn2)cc1 ZINC000509022876 503622064 /nfs/dbraw/zinc/62/20/64/503622064.db2.gz OEMYFUSGSIBGNI-NSHDSACASA-N 1 1 359.336 3.305 20 5 FGBDMO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000495061526 503653894 /nfs/dbraw/zinc/65/38/94/503653894.db2.gz TVGMGVXIUUBVRP-CQSZACIVSA-N 1 1 350.415 3.027 20 5 FGBDMO CC(=O)N1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)[C@H](C)C1 ZINC000536672236 503673597 /nfs/dbraw/zinc/67/35/97/503673597.db2.gz DWHZTLMOQOAEGJ-CYBMUJFWSA-N 1 1 359.451 3.376 20 5 FGBDMO CC(=O)N1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)[C@H](C)C1 ZINC000536672236 503673601 /nfs/dbraw/zinc/67/36/01/503673601.db2.gz DWHZTLMOQOAEGJ-CYBMUJFWSA-N 1 1 359.451 3.376 20 5 FGBDMO CCC1CCC([N@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000543207460 503679362 /nfs/dbraw/zinc/67/93/62/503679362.db2.gz QRSYDBZROZWVQV-UHFFFAOYSA-N 1 1 354.472 3.269 20 5 FGBDMO CCC1CCC([N@@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000543207460 503679367 /nfs/dbraw/zinc/67/93/67/503679367.db2.gz QRSYDBZROZWVQV-UHFFFAOYSA-N 1 1 354.472 3.269 20 5 FGBDMO COc1ccccc1[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000532968388 503679584 /nfs/dbraw/zinc/67/95/84/503679584.db2.gz GSTPVIAMFKKHCS-LSDHHAIUSA-N 1 1 369.421 3.420 20 5 FGBDMO COc1ccccc1[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000532968388 503679587 /nfs/dbraw/zinc/67/95/87/503679587.db2.gz GSTPVIAMFKKHCS-LSDHHAIUSA-N 1 1 369.421 3.420 20 5 FGBDMO Cc1cc(C)cc([C@H]2CC[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)c1 ZINC000543246749 503697638 /nfs/dbraw/zinc/69/76/38/503697638.db2.gz ONDSULLHGRVRSB-HKUYNNGSSA-N 1 1 370.449 3.441 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000533246217 503774935 /nfs/dbraw/zinc/77/49/35/503774935.db2.gz KXTKDCIOYYTYIN-UHFFFAOYSA-N 1 1 368.437 3.054 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCN(c2ccccc2)CC1 ZINC000533246217 503774941 /nfs/dbraw/zinc/77/49/41/503774941.db2.gz KXTKDCIOYYTYIN-UHFFFAOYSA-N 1 1 368.437 3.054 20 5 FGBDMO Cc1ccccc1C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000533248071 503775818 /nfs/dbraw/zinc/77/58/18/503775818.db2.gz UZNBMGDNRSSDPW-UHFFFAOYSA-N 1 1 365.433 3.457 20 5 FGBDMO Cc1ccccc1C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000533248071 503775820 /nfs/dbraw/zinc/77/58/20/503775820.db2.gz UZNBMGDNRSSDPW-UHFFFAOYSA-N 1 1 365.433 3.457 20 5 FGBDMO O=C1[C@@H]([N@H+]2CC[C@@H](Cc3ccccc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000533292781 503795502 /nfs/dbraw/zinc/79/55/02/503795502.db2.gz VZRREVPNFGAFAP-PXNSSMCTSA-N 1 1 365.433 3.265 20 5 FGBDMO CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000537091515 503798972 /nfs/dbraw/zinc/79/89/72/503798972.db2.gz JHRDESVADCRSKH-GJZGRUSLSA-N 1 1 371.441 3.289 20 5 FGBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000540513863 503800923 /nfs/dbraw/zinc/80/09/23/503800923.db2.gz SLMYMAOOSPFKEU-GASCZTMLSA-N 1 1 363.458 3.091 20 5 FGBDMO CC[N@H+]1CCC[C@@H](CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000543578097 503818100 /nfs/dbraw/zinc/81/81/00/503818100.db2.gz UZPXPXIFNFJOCU-LBPRGKRZSA-N 1 1 371.890 3.188 20 5 FGBDMO C[C@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1=O)c1ccccc1[N+](=O)[O-] ZINC000537176372 503828558 /nfs/dbraw/zinc/82/85/58/503828558.db2.gz DSBORDDIMIILAS-XHDPSFHLSA-N 1 1 361.348 3.329 20 5 FGBDMO CNc1ccc(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000543751532 503880096 /nfs/dbraw/zinc/88/00/96/503880096.db2.gz QNMWHAOSPHLPDV-DZGCQCFKSA-N 1 1 360.458 3.019 20 5 FGBDMO CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1NC)[N@@H+](C)Cc1ccccc1 ZINC000518378957 503968169 /nfs/dbraw/zinc/96/81/69/503968169.db2.gz DVKJOFHEVWJGER-SFHVURJKSA-N 1 1 356.426 3.486 20 5 FGBDMO C[C@]12CCC[N@@H+]1C[C@H](c1noc(/C=C/c3cccc([N+](=O)[O-])c3)n1)OC2 ZINC000518835179 504074804 /nfs/dbraw/zinc/07/48/04/504074804.db2.gz GEROAKDEGJYPDT-YOBDTOFLSA-N 1 1 356.382 3.074 20 5 FGBDMO C[C@]12CCC[N@H+]1C[C@H](c1noc(/C=C/c3cccc([N+](=O)[O-])c3)n1)OC2 ZINC000518835179 504074810 /nfs/dbraw/zinc/07/48/10/504074810.db2.gz GEROAKDEGJYPDT-YOBDTOFLSA-N 1 1 356.382 3.074 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000544421582 504127788 /nfs/dbraw/zinc/12/77/88/504127788.db2.gz LOQTUHLHNMDPPP-HZPDHXFCSA-N 1 1 374.485 3.084 20 5 FGBDMO CC(C)Oc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000538126354 504137338 /nfs/dbraw/zinc/13/73/38/504137338.db2.gz KIRHBXIJQCOCII-CYBMUJFWSA-N 1 1 357.410 3.332 20 5 FGBDMO CC1(C)CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000519118334 504144095 /nfs/dbraw/zinc/14/40/95/504144095.db2.gz PJMLWUBNYOQQFC-UHFFFAOYSA-N 1 1 367.449 3.260 20 5 FGBDMO Cc1cc([NH+]2CCCC2)ccc1NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000519141447 504148583 /nfs/dbraw/zinc/14/85/83/504148583.db2.gz HEINQGJTGBFUPW-QGZVFWFLSA-N 1 1 371.437 3.355 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000538252638 504178155 /nfs/dbraw/zinc/17/81/55/504178155.db2.gz GZQWZWFYGHRNTL-HNNXBMFYSA-N 1 1 363.483 3.404 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc(NC(C)=O)cc1OC ZINC000541566923 504179534 /nfs/dbraw/zinc/17/95/34/504179534.db2.gz XQEJZGOMUJZXJK-LBPRGKRZSA-N 1 1 373.409 3.421 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])C[C@H]1C ZINC000538427658 504243686 /nfs/dbraw/zinc/24/36/86/504243686.db2.gz HZTLLXYGPUNWMR-CVEARBPZSA-N 1 1 363.458 3.003 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534982482 504301940 /nfs/dbraw/zinc/30/19/40/504301940.db2.gz CCPVEDOTLRFNBO-AWEZNQCLSA-N 1 1 358.442 3.461 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@H]([C@@H](C)O)C2)cc1OC ZINC000541958927 504316796 /nfs/dbraw/zinc/31/67/96/504316796.db2.gz WPQQZCKZLKLWTB-RRFJBIMHSA-N 1 1 366.458 3.231 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@](C)(O)C2)cc1OC ZINC000541986741 504324921 /nfs/dbraw/zinc/32/49/21/504324921.db2.gz ZCEZYSWYFBYIKS-IFXJQAMLSA-N 1 1 366.458 3.375 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@](C)(O)C2)cc1OC ZINC000541986741 504324925 /nfs/dbraw/zinc/32/49/25/504324925.db2.gz ZCEZYSWYFBYIKS-IFXJQAMLSA-N 1 1 366.458 3.375 20 5 FGBDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1(C)C ZINC000538719314 504341660 /nfs/dbraw/zinc/34/16/60/504341660.db2.gz ANATZEPHDDXSQN-DLBZAZTESA-N 1 1 352.431 3.247 20 5 FGBDMO COc1cc(OC)cc(N2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000531579752 504353422 /nfs/dbraw/zinc/35/34/22/504353422.db2.gz PVVLVLKYQSFGAW-UHFFFAOYSA-N 1 1 371.437 3.324 20 5 FGBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccc([N+](=O)[O-])cn3)cc2)C1 ZINC000531624094 504367867 /nfs/dbraw/zinc/36/78/67/504367867.db2.gz SNXAYYDGEOBKPH-OAHLLOKOSA-N 1 1 368.437 3.152 20 5 FGBDMO C[C@@H]1c2c(F)cccc2CC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000542278749 504436175 /nfs/dbraw/zinc/43/61/75/504436175.db2.gz LCMDJVMCUWZWPZ-UKRRQHHQSA-N 1 1 360.385 3.093 20 5 FGBDMO C[C@@H]1c2c(F)cccc2CC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000542278749 504436177 /nfs/dbraw/zinc/43/61/77/504436177.db2.gz LCMDJVMCUWZWPZ-UKRRQHHQSA-N 1 1 360.385 3.093 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](Cc1cccc(F)c1)C1CCCC1 ZINC000535625398 504489566 /nfs/dbraw/zinc/48/95/66/504489566.db2.gz CRTOHPSFAYZCPO-UHFFFAOYSA-N 1 1 359.401 3.340 20 5 FGBDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000542652737 504564742 /nfs/dbraw/zinc/56/47/42/504564742.db2.gz ZDTWGZHDPCUONY-HOCLYGCPSA-N 1 1 365.449 3.464 20 5 FGBDMO COc1cc(C(=O)Nc2ccc3nc(C)[nH]c3c2)cc([N+](=O)[O-])c1OC ZINC000532186541 504566389 /nfs/dbraw/zinc/56/63/89/504566389.db2.gz YYYMWXKNUHXVOC-UHFFFAOYSA-N 1 1 356.338 3.049 20 5 FGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000520760372 504576359 /nfs/dbraw/zinc/57/63/59/504576359.db2.gz ZHEPSBIGGLLCTA-QLFBSQMISA-N 1 1 365.499 3.455 20 5 FGBDMO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000548935288 504628213 /nfs/dbraw/zinc/62/82/13/504628213.db2.gz IBMXMGSKKCXLDW-OAHLLOKOSA-N 1 1 373.428 3.428 20 5 FGBDMO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000548935288 504628219 /nfs/dbraw/zinc/62/82/19/504628219.db2.gz IBMXMGSKKCXLDW-OAHLLOKOSA-N 1 1 373.428 3.428 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@]3(CC[C@@H](C)C3)C2)c([N+](=O)[O-])c1 ZINC000542881626 504646141 /nfs/dbraw/zinc/64/61/41/504646141.db2.gz KVGJHXIKOONWTE-KUHUBIRLSA-N 1 1 361.442 3.444 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@]3(CC[C@@H](C)C3)C2)c([N+](=O)[O-])c1 ZINC000542881626 504646144 /nfs/dbraw/zinc/64/61/44/504646144.db2.gz KVGJHXIKOONWTE-KUHUBIRLSA-N 1 1 361.442 3.444 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000539818362 504701550 /nfs/dbraw/zinc/70/15/50/504701550.db2.gz XEXNBUFTQKRCOM-KXBFYZLASA-N 1 1 371.485 3.300 20 5 FGBDMO CCN1CC[C@H]([N@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000539818362 504701568 /nfs/dbraw/zinc/70/15/68/504701568.db2.gz XEXNBUFTQKRCOM-KXBFYZLASA-N 1 1 371.485 3.300 20 5 FGBDMO CCN1CC[C@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000539818362 504701572 /nfs/dbraw/zinc/70/15/72/504701572.db2.gz XEXNBUFTQKRCOM-KXBFYZLASA-N 1 1 371.485 3.300 20 5 FGBDMO COc1cc(C[N@@H+](C)[C@@H]2C[C@@](C)(OC)C2(C)C)c([N+](=O)[O-])cc1OC ZINC000539823036 504705062 /nfs/dbraw/zinc/70/50/62/504705062.db2.gz ZCKVPMSEKNZXPF-SJLPKXTDSA-N 1 1 352.431 3.247 20 5 FGBDMO COc1cc2c(c(OC)c1OC)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000532878425 504770651 /nfs/dbraw/zinc/77/06/51/504770651.db2.gz BMTYMOKEJCNGEF-UHFFFAOYSA-N 1 1 372.421 3.221 20 5 FGBDMO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000559107697 504784153 /nfs/dbraw/zinc/78/41/53/504784153.db2.gz RLZUYQBHPSNFMB-LLVKDONJSA-N 1 1 360.332 3.389 20 5 FGBDMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000559107697 504784156 /nfs/dbraw/zinc/78/41/56/504784156.db2.gz RLZUYQBHPSNFMB-LLVKDONJSA-N 1 1 360.332 3.389 20 5 FGBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000552965124 504795142 /nfs/dbraw/zinc/79/51/42/504795142.db2.gz OARYJYDVUBOXSA-GOSISDBHSA-N 1 1 353.422 3.075 20 5 FGBDMO COc1cc(C[N@@H+]2CCCO[C@H](C(C)C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000559498032 504875466 /nfs/dbraw/zinc/87/54/66/504875466.db2.gz TVILEAYKLFFCTC-INIZCTEOSA-N 1 1 374.384 3.452 20 5 FGBDMO COc1cc(C[N@H+]2CCCO[C@H](C(C)C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000559498032 504875471 /nfs/dbraw/zinc/87/54/71/504875471.db2.gz TVILEAYKLFFCTC-INIZCTEOSA-N 1 1 374.384 3.452 20 5 FGBDMO Nc1c(F)c(N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)ccc1[N+](=O)[O-] ZINC000553334297 504886525 /nfs/dbraw/zinc/88/65/25/504886525.db2.gz XRCHQDMLTKOCFQ-FQEVSTJZSA-N 1 1 370.428 3.419 20 5 FGBDMO COc1ccc(NC(=O)C[NH+]2CCC(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000549938623 504939951 /nfs/dbraw/zinc/93/99/51/504939951.db2.gz AJZNVKPVLJBDOO-UHFFFAOYSA-N 1 1 369.421 3.422 20 5 FGBDMO C[C@H](C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000550113309 504969343 /nfs/dbraw/zinc/96/93/43/504969343.db2.gz SEOJSMPEFCMFMW-MRXNPFEDSA-N 1 1 353.422 3.156 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]CCC[C@@H]1CCCC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000560544143 505120784 /nfs/dbraw/zinc/12/07/84/505120784.db2.gz FTEMWWAWAJYYMT-KFKAGJAMSA-N 1 1 372.469 3.339 20 5 FGBDMO C[C@H]1C[C@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000557606293 505180748 /nfs/dbraw/zinc/18/07/48/505180748.db2.gz MMUDCXUESVWQDJ-GOEBONIOSA-N 1 1 368.437 3.159 20 5 FGBDMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000566525949 505194333 /nfs/dbraw/zinc/19/43/33/505194333.db2.gz AHMCBTNUTHACLE-FXAWDEMLSA-N 1 1 374.437 3.426 20 5 FGBDMO CCOC(=O)C1CCC([N@@H+](CC)CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000554855538 505281938 /nfs/dbraw/zinc/28/19/38/505281938.db2.gz QFQHSXXKAZTICS-UHFFFAOYSA-N 1 1 364.442 3.417 20 5 FGBDMO Cn1ccnc1[C@H](NCC[N@H+]1CCCC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000552056737 505384689 /nfs/dbraw/zinc/38/46/89/505384689.db2.gz QEUSUMZTCLEZCS-GOSISDBHSA-N 1 1 371.485 3.129 20 5 FGBDMO CCOc1cccc(N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)c1[N+](=O)[O-] ZINC000555238760 505387740 /nfs/dbraw/zinc/38/77/40/505387740.db2.gz XQPCJVBZJIREHX-XYPWUTKMSA-N 1 1 363.458 3.072 20 5 FGBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000561805341 505441206 /nfs/dbraw/zinc/44/12/06/505441206.db2.gz UEDVVMRSVRZUAC-PHIMTYICSA-N 1 1 359.348 3.168 20 5 FGBDMO CCc1ccc([C@H]2CN(C(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)CC[NH2+]2)cc1 ZINC000558643114 505448740 /nfs/dbraw/zinc/44/87/40/505448740.db2.gz PCQVTLNJLRKGRS-MGPUTAFESA-N 1 1 367.449 3.434 20 5 FGBDMO CC[C@@H](c1ccccc1OC)[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567418071 505456375 /nfs/dbraw/zinc/45/63/75/505456375.db2.gz IXNIPLOFGLEZCV-WBVHZDCISA-N 1 1 374.437 3.426 20 5 FGBDMO CCOc1cc(C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000555577735 505461730 /nfs/dbraw/zinc/46/17/30/505461730.db2.gz YKFMSUYLDCBHKK-HNNXBMFYSA-N 1 1 362.348 3.129 20 5 FGBDMO Cc1ccccc1CCNC(=O)[C@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558742582 505480560 /nfs/dbraw/zinc/48/05/60/505480560.db2.gz ZDGRYKLKBXCDGR-KRWDZBQOSA-N 1 1 369.465 3.125 20 5 FGBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000562214367 505541798 /nfs/dbraw/zinc/54/17/98/505541798.db2.gz YEKRBLBJMWARFR-CQSZACIVSA-N 1 1 366.421 3.326 20 5 FGBDMO COc1cc(C[NH+]2CCC(Oc3ccncc3C)CC2)ccc1[N+](=O)[O-] ZINC000582755484 506400157 /nfs/dbraw/zinc/40/01/57/506400157.db2.gz XKTLBYXALBHFSA-UHFFFAOYSA-N 1 1 357.410 3.350 20 5 FGBDMO COC(=O)CCCC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000599446133 506458877 /nfs/dbraw/zinc/45/88/77/506458877.db2.gz ZSEZSRKIQZVMHB-QAQDUYKDSA-N 1 1 364.442 3.044 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000599514711 506481928 /nfs/dbraw/zinc/48/19/28/506481928.db2.gz YWZUJSNDRYYMIH-BETUJISGSA-N 1 1 355.385 3.455 20 5 FGBDMO CC[N@@H+](CCCNC(=O)c1cc(OC)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000593252306 506496305 /nfs/dbraw/zinc/49/63/05/506496305.db2.gz WTMMMRSHLVZOHQ-UHFFFAOYSA-N 1 1 363.458 3.378 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1OC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000589266866 506502346 /nfs/dbraw/zinc/50/23/46/506502346.db2.gz VUTJMUPWHDZDCY-GOSISDBHSA-N 1 1 372.421 3.273 20 5 FGBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000596677262 506528368 /nfs/dbraw/zinc/52/83/68/506528368.db2.gz UDDMKUDGQCAQBO-MRXNPFEDSA-N 1 1 362.474 3.388 20 5 FGBDMO CCOc1cc(C[N@H+]2CC[C@H](C(=O)OC)[C@@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000599655990 506559015 /nfs/dbraw/zinc/55/90/15/506559015.db2.gz SBPBWFLLBKVYMU-HRCADAONSA-N 1 1 362.426 3.157 20 5 FGBDMO CCC[N@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000596828484 506621642 /nfs/dbraw/zinc/62/16/42/506621642.db2.gz KLYZABBIXGOGPE-NSHDSACASA-N 1 1 360.336 3.219 20 5 FGBDMO COc1ccc(NC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000599770504 506627897 /nfs/dbraw/zinc/62/78/97/506627897.db2.gz MQEPDGXLXSZYNF-HNNXBMFYSA-N 1 1 362.430 3.132 20 5 FGBDMO CCN1C[C@@H](C[N@@H+](C)CCOc2ccccc2[N+](=O)[O-])Oc2ccccc21 ZINC000603845398 506632497 /nfs/dbraw/zinc/63/24/97/506632497.db2.gz RTVALHFDESKLRA-MRXNPFEDSA-N 1 1 371.437 3.193 20 5 FGBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)c1 ZINC000603864445 506640891 /nfs/dbraw/zinc/64/08/91/506640891.db2.gz FUBQMXVQQWTNJR-CALCHBBNSA-N 1 1 353.422 3.042 20 5 FGBDMO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC[N@H+]1C ZINC000599830366 506663586 /nfs/dbraw/zinc/66/35/86/506663586.db2.gz RLRBKORRLWODFS-OLZOCXBDSA-N 1 1 357.414 3.089 20 5 FGBDMO C[N@H+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])[C@@H](Cc2ccccc2)C1 ZINC000593679912 506727905 /nfs/dbraw/zinc/72/79/05/506727905.db2.gz QUQCVJJRQOWMEI-OEMHODTASA-N 1 1 351.450 3.467 20 5 FGBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+]([C@@H]2CCc3ccccc32)CC1 ZINC000590204888 506762772 /nfs/dbraw/zinc/76/27/72/506762772.db2.gz IYPJRMCHTRXQPK-GOSISDBHSA-N 1 1 351.406 3.040 20 5 FGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000583452846 506787125 /nfs/dbraw/zinc/78/71/25/506787125.db2.gz CZXXPBYNZNQNNA-IBGZPJMESA-N 1 1 353.422 3.265 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)o1 ZINC000600206140 506844690 /nfs/dbraw/zinc/84/46/90/506844690.db2.gz BNPVWVXOHAQSIP-OKXMYEFYSA-N 1 1 360.435 3.340 20 5 FGBDMO CSc1cccc(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000600230608 506862189 /nfs/dbraw/zinc/86/21/89/506862189.db2.gz WFPKATIYXQNWFE-CQSZACIVSA-N 1 1 363.483 3.454 20 5 FGBDMO COc1cc(C[N@H+](C)C2(CO)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000597255475 506863371 /nfs/dbraw/zinc/86/33/71/506863371.db2.gz NSQUQHRDHZSEEK-UHFFFAOYSA-N 1 1 372.421 3.139 20 5 FGBDMO COc1cc(C[N@@H+](C)C2(CO)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000597255475 506863378 /nfs/dbraw/zinc/86/33/78/506863378.db2.gz NSQUQHRDHZSEEK-UHFFFAOYSA-N 1 1 372.421 3.139 20 5 FGBDMO COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000604541015 506868451 /nfs/dbraw/zinc/86/84/51/506868451.db2.gz ZTBKZVLKDITSBI-OAHLLOKOSA-N 1 1 372.421 3.415 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](c3cc(C)ccn3)C2)c1 ZINC000594004438 506875604 /nfs/dbraw/zinc/87/56/04/506875604.db2.gz HZWGZCZIFDSCMO-HNNXBMFYSA-N 1 1 355.394 3.074 20 5 FGBDMO Cc1ccnc([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000594007757 506878223 /nfs/dbraw/zinc/87/82/23/506878223.db2.gz GUSPXPBHRLSRMS-HOTGVXAUSA-N 1 1 368.437 3.423 20 5 FGBDMO Cc1ccnc([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000594007757 506878229 /nfs/dbraw/zinc/87/82/29/506878229.db2.gz GUSPXPBHRLSRMS-HOTGVXAUSA-N 1 1 368.437 3.423 20 5 FGBDMO CCOc1cc(C[NH+]2CCC(Oc3ncc(C)cn3)CC2)ccc1[N+](=O)[O-] ZINC000594019998 506887571 /nfs/dbraw/zinc/88/75/71/506887571.db2.gz AMDQQFVLMUDPNX-UHFFFAOYSA-N 1 1 372.425 3.135 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000600470958 506962885 /nfs/dbraw/zinc/96/28/85/506962885.db2.gz QEWIIADBJHMNAE-VQIMIIECSA-N 1 1 359.470 3.297 20 5 FGBDMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000609767150 506993783 /nfs/dbraw/zinc/99/37/83/506993783.db2.gz QEOSAIXTFJBYLE-QAPCUYQASA-N 1 1 370.453 3.351 20 5 FGBDMO C[C@@H]1CN2CCCC[C@H]2C[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000609767150 506993787 /nfs/dbraw/zinc/99/37/87/506993787.db2.gz QEOSAIXTFJBYLE-QAPCUYQASA-N 1 1 370.453 3.351 20 5 FGBDMO C[C@@H]1CN2CCCC[C@H]2C[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000609767150 506993791 /nfs/dbraw/zinc/99/37/91/506993791.db2.gz QEOSAIXTFJBYLE-QAPCUYQASA-N 1 1 370.453 3.351 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000597669409 507055084 /nfs/dbraw/zinc/05/50/84/507055084.db2.gz SQWRPEAOTZNPPT-KRWDZBQOSA-N 1 1 368.437 3.457 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000597710889 507070439 /nfs/dbraw/zinc/07/04/39/507070439.db2.gz PTUCAZQVTYXZFX-YLJYHZDGSA-N 1 1 359.470 3.108 20 5 FGBDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc3cc([N+](=O)[O-])ccc3s1)C2 ZINC000597716757 507073027 /nfs/dbraw/zinc/07/30/27/507073027.db2.gz UCERLDHEBBNFGW-SFHVURJKSA-N 1 1 359.451 3.367 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+][C@H]1C[C@H](OC(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000594519289 507168054 /nfs/dbraw/zinc/16/80/54/507168054.db2.gz PJDDRPCHULWFLL-DJIMGWMZSA-N 1 1 358.442 3.353 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000597924892 507177445 /nfs/dbraw/zinc/17/74/45/507177445.db2.gz UOUZLGLSESVREK-GFCCVEGCSA-N 1 1 359.348 3.216 20 5 FGBDMO COc1ccc(NC(=O)C[NH+]2CCC(C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000610393469 507224450 /nfs/dbraw/zinc/22/44/50/507224450.db2.gz SSSUEVCKMZARKA-UHFFFAOYSA-N 1 1 361.442 3.444 20 5 FGBDMO C[N@@H+](Cc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)sc2c1)C1CC1 ZINC000598031430 507225888 /nfs/dbraw/zinc/22/58/88/507225888.db2.gz WYLAFSMSHSRWRW-UHFFFAOYSA-N 1 1 371.422 3.379 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000610433540 507238014 /nfs/dbraw/zinc/23/80/14/507238014.db2.gz QXLLERVVZSCDNM-IBGZPJMESA-N 1 1 355.438 3.180 20 5 FGBDMO CN(Cc1ccccc1)[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000610433540 507238016 /nfs/dbraw/zinc/23/80/16/507238016.db2.gz QXLLERVVZSCDNM-IBGZPJMESA-N 1 1 355.438 3.180 20 5 FGBDMO CN(Cc1ccccc1)[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000610433540 507238018 /nfs/dbraw/zinc/23/80/18/507238018.db2.gz QXLLERVVZSCDNM-IBGZPJMESA-N 1 1 355.438 3.180 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])c(NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)n1 ZINC000584283686 507256285 /nfs/dbraw/zinc/25/62/85/507256285.db2.gz VUENVGPTGXURPW-UHFFFAOYSA-N 1 1 356.430 3.094 20 5 FGBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000610505708 507268648 /nfs/dbraw/zinc/26/86/48/507268648.db2.gz SMEFHHIMPKDZGN-MRXNPFEDSA-N 1 1 371.368 3.479 20 5 FGBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000610505708 507268652 /nfs/dbraw/zinc/26/86/52/507268652.db2.gz SMEFHHIMPKDZGN-MRXNPFEDSA-N 1 1 371.368 3.479 20 5 FGBDMO C[S@@](=O)c1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000610574888 507296883 /nfs/dbraw/zinc/29/68/83/507296883.db2.gz NUFVIKCFEMCEOE-RUZDIDTESA-N 1 1 370.377 3.223 20 5 FGBDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000598195363 507307672 /nfs/dbraw/zinc/30/76/72/507307672.db2.gz MBBIHWFGHWBIMG-KRWDZBQOSA-N 1 1 371.412 3.123 20 5 FGBDMO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000598217755 507321319 /nfs/dbraw/zinc/32/13/19/507321319.db2.gz AYUQLYBFVQYAGB-CYBMUJFWSA-N 1 1 356.426 3.213 20 5 FGBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601310033 507330180 /nfs/dbraw/zinc/33/01/80/507330180.db2.gz IKOQLJDWYARLIO-INIZCTEOSA-N 1 1 359.470 3.111 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(CNC3CC[NH+]([C@H]4CCOC4)CC3)o2)cc1 ZINC000594992920 507345328 /nfs/dbraw/zinc/34/53/28/507345328.db2.gz LHSBZECVBLKGAC-SFHVURJKSA-N 1 1 371.437 3.198 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCc1cccc(OCC[NH+](C)C)c1 ZINC000595008156 507352252 /nfs/dbraw/zinc/35/22/52/507352252.db2.gz BIBGTROIJZWELI-OAHLLOKOSA-N 1 1 373.453 3.395 20 5 FGBDMO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000595078721 507382712 /nfs/dbraw/zinc/38/27/12/507382712.db2.gz AJGRLIYDGNEQPJ-RDJZCZTQSA-N 1 1 374.485 3.309 20 5 FGBDMO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000595078721 507382716 /nfs/dbraw/zinc/38/27/16/507382716.db2.gz AJGRLIYDGNEQPJ-RDJZCZTQSA-N 1 1 374.485 3.309 20 5 FGBDMO CC(=O)NCC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccsc1 ZINC000584542831 507402703 /nfs/dbraw/zinc/40/27/03/507402703.db2.gz JYZIXZHCGDBINK-XQRVVYSFSA-N 1 1 359.451 3.308 20 5 FGBDMO CC(=O)NCC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccsc1 ZINC000584542831 507402714 /nfs/dbraw/zinc/40/27/14/507402714.db2.gz JYZIXZHCGDBINK-XQRVVYSFSA-N 1 1 359.451 3.308 20 5 FGBDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595298302 507453559 /nfs/dbraw/zinc/45/35/59/507453559.db2.gz QDGWBHLJNBCMKY-DZGCQCFKSA-N 1 1 351.422 3.251 20 5 FGBDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595298302 507453563 /nfs/dbraw/zinc/45/35/63/507453563.db2.gz QDGWBHLJNBCMKY-DZGCQCFKSA-N 1 1 351.422 3.251 20 5 FGBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000614340687 507471621 /nfs/dbraw/zinc/47/16/21/507471621.db2.gz CIHZKMMWOVJDJU-INIZCTEOSA-N 1 1 363.461 3.238 20 5 FGBDMO COCC[N@H+](C)CCCC1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595405205 507482560 /nfs/dbraw/zinc/48/25/60/507482560.db2.gz VNAHCZQLTPNBOU-UHFFFAOYSA-N 1 1 367.465 3.304 20 5 FGBDMO COCC[N@@H+](C)CCCC1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595405205 507482569 /nfs/dbraw/zinc/48/25/69/507482569.db2.gz VNAHCZQLTPNBOU-UHFFFAOYSA-N 1 1 367.465 3.304 20 5 FGBDMO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000598562453 507487926 /nfs/dbraw/zinc/48/79/26/507487926.db2.gz UNOUXFPYURCAGE-CYBMUJFWSA-N 1 1 351.834 3.100 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000598560460 507488090 /nfs/dbraw/zinc/48/80/90/507488090.db2.gz MKLOPHKPTRSHFD-QGZVFWFLSA-N 1 1 359.470 3.372 20 5 FGBDMO CCn1cc(CC[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)cn1 ZINC000592133503 507498295 /nfs/dbraw/zinc/49/82/95/507498295.db2.gz WQPYYPHZQQQJBX-WGSAOQKQSA-N 1 1 372.469 3.159 20 5 FGBDMO C[C@@]1(Cc2ccccc2F)CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000592143528 507504862 /nfs/dbraw/zinc/50/48/62/507504862.db2.gz GQNYDPCTYJWTEN-FQEVSTJZSA-N 1 1 371.412 3.430 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1(c2ccccc2F)CCC1 ZINC000592144943 507507595 /nfs/dbraw/zinc/50/75/95/507507595.db2.gz QXTDWLWJPBPVSY-UHFFFAOYSA-N 1 1 373.384 3.350 20 5 FGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](C(=O)NCc2ccccc2)C1 ZINC000592153938 507510335 /nfs/dbraw/zinc/51/03/35/507510335.db2.gz DMTWUIDSHHGUJQ-YJBOKZPZSA-N 1 1 353.422 3.294 20 5 FGBDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)Cc3onc(C)c3[N+](=O)[O-])C2)s1 ZINC000595478821 507521424 /nfs/dbraw/zinc/52/14/24/507521424.db2.gz XAYSNUSBZURLIX-AWEZNQCLSA-N 1 1 364.471 3.215 20 5 FGBDMO COC(=O)C[C@@](C)([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccncc1 ZINC000595487550 507525935 /nfs/dbraw/zinc/52/59/35/507525935.db2.gz VEMDWAUJIHDLKO-QGZVFWFLSA-N 1 1 363.801 3.211 20 5 FGBDMO C[C@H]1CC2(C[N@H+]1Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)CCOCC2 ZINC000592181514 507526549 /nfs/dbraw/zinc/52/65/49/507526549.db2.gz GOSNUERCJAUWMJ-ZDUSSCGKSA-N 1 1 358.398 3.036 20 5 FGBDMO CC(C)n1cc(C2=CCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)CC2)nn1 ZINC000595514523 507539322 /nfs/dbraw/zinc/53/93/22/507539322.db2.gz IQNZLWZEWSKBHJ-UHFFFAOYSA-N 1 1 355.442 3.489 20 5 FGBDMO CC(C)n1cc(C2=CCC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CC2)nn1 ZINC000595515271 507540223 /nfs/dbraw/zinc/54/02/23/507540223.db2.gz 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O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccccc2C2CC2)CC1 ZINC000611273730 507598323 /nfs/dbraw/zinc/59/83/23/507598323.db2.gz KMDIAQLTZZJRPE-UHFFFAOYSA-N 1 1 365.433 3.430 20 5 FGBDMO CO[C@]1(C)C[C@H]([N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1(C)C ZINC000611276667 507600587 /nfs/dbraw/zinc/60/05/87/507600587.db2.gz RIYKHQXEVLIGGA-FUHWJXTLSA-N 1 1 350.415 3.001 20 5 FGBDMO COc1ccc(NC(=O)C[N@@H+](C)C(C)(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000585754732 507617925 /nfs/dbraw/zinc/61/79/25/507617925.db2.gz YKXDIYNGNGHNLF-UHFFFAOYSA-N 1 1 357.410 3.409 20 5 FGBDMO CC[C@H]1CN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC[C@H]1[NH3+] ZINC000592427741 507653358 /nfs/dbraw/zinc/65/33/58/507653358.db2.gz WYKUJWCHYNPNQU-SUMWQHHRSA-N 1 1 359.426 3.423 20 5 FGBDMO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000586767968 507666284 /nfs/dbraw/zinc/66/62/84/507666284.db2.gz NMXCANIGEQGTFZ-LBPRGKRZSA-N 1 1 356.369 3.428 20 5 FGBDMO CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 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/nfs/dbraw/zinc/73/16/64/507731664.db2.gz XUQJYOIHPAUKKN-UHFFFAOYSA-N 1 1 371.260 3.170 20 5 FGBDMO Cn1ccnc1[C@H](Nc1ccc2c(c1)[nH+]cn2C)c1cccc([N+](=O)[O-])c1 ZINC000611561065 507740676 /nfs/dbraw/zinc/74/06/76/507740676.db2.gz RPJKYORILKZRHE-GOSISDBHSA-N 1 1 362.393 3.417 20 5 FGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826499625 608464389 /nfs/dbraw/zinc/46/43/89/608464389.db2.gz QDFFFQVOHIVJHS-UHFFFAOYSA-N 1 1 362.393 3.064 20 5 FGBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826499625 608464391 /nfs/dbraw/zinc/46/43/91/608464391.db2.gz QDFFFQVOHIVJHS-UHFFFAOYSA-N 1 1 362.393 3.064 20 5 FGBDMO CC[N@@H+]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)sc2C1 ZINC000133937160 704808796 /nfs/dbraw/zinc/80/87/96/704808796.db2.gz PVWHQOAOYWYVEE-UHFFFAOYSA-N 1 1 366.830 3.335 20 5 FGBDMO CC[N@H+]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)sc2C1 ZINC000133937160 704808800 /nfs/dbraw/zinc/80/88/00/704808800.db2.gz PVWHQOAOYWYVEE-UHFFFAOYSA-N 1 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CC[N@H+]1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000804795620 724551162 /nfs/dbraw/zinc/55/11/62/724551162.db2.gz VQHWFLMALOYJAZ-SECBINFHSA-N 1 1 362.308 3.052 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCC[C@H]1C ZINC000783918292 724803608 /nfs/dbraw/zinc/80/36/08/724803608.db2.gz IEBIOVAODFPZFN-CYBMUJFWSA-N 1 1 351.472 3.311 20 5 FGBDMO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)c2cccc(F)c2)ccc1Br ZINC000734847928 722510561 /nfs/dbraw/zinc/51/05/61/722510561.db2.gz YQEZXWUFVJPEGR-CQSZACIVSA-N 1 1 369.190 3.320 20 5 FGBDMO CC[N@@H+](CCc1cccs1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000746070232 722593003 /nfs/dbraw/zinc/59/30/03/722593003.db2.gz IJCSNKFEXHRYAK-UHFFFAOYSA-N 1 1 357.439 3.437 20 5 FGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000761114933 723123265 /nfs/dbraw/zinc/12/32/65/723123265.db2.gz YIPGGNWHTFSQKY-CYBMUJFWSA-N 1 1 354.834 3.266 20 5 FGBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790571157 723154632 /nfs/dbraw/zinc/15/46/32/723154632.db2.gz CTKXHTROJFBMBL-NWDGAFQWSA-N 1 1 371.840 3.166 20 5 FGBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790583655 723155641 /nfs/dbraw/zinc/15/56/41/723155641.db2.gz NZKDPZNOAQSGEO-HNNXBMFYSA-N 1 1 371.840 3.166 20 5 FGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)cc1Cl ZINC000761531163 723163184 /nfs/dbraw/zinc/16/31/84/723163184.db2.gz BUURQFLRIWMBBG-AWEZNQCLSA-N 1 1 354.834 3.266 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CC[C@@H](CC(F)(F)F)C3)n2)c1 ZINC000766121542 723557174 /nfs/dbraw/zinc/55/71/74/723557174.db2.gz WFSISXWYNPRWPF-NSHDSACASA-N 1 1 355.320 3.085 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CC[C@@H](CC(F)(F)F)C3)n2)c1 ZINC000766121542 723557178 /nfs/dbraw/zinc/55/71/78/723557178.db2.gz WFSISXWYNPRWPF-NSHDSACASA-N 1 1 355.320 3.085 20 5 FGBDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000795163595 723569152 /nfs/dbraw/zinc/56/91/52/723569152.db2.gz HHCMNHIXBQKEOV-UHFFFAOYSA-N 1 1 362.455 3.339 20 5 FGBDMO Cn1cc[nH+]c1[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC000767453003 723619739 /nfs/dbraw/zinc/61/97/39/723619739.db2.gz ABOPBOYXJINLNL-NSHDSACASA-N 1 1 352.341 3.314 20 5 FGBDMO C[N@H+]1CCC[C@@H]2CN(Cc3c(Br)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000770349970 723711595 /nfs/dbraw/zinc/71/15/95/723711595.db2.gz CPMDFLMCDZCEBN-DOMZBBRYSA-N 1 1 368.275 3.273 20 5 FGBDMO O=[N+]([O-])c1cc2cnn(C[N@H+]3CCC[C@H]([C@H]4CCOC4)C3)c2c(Cl)c1 ZINC000774638433 723913342 /nfs/dbraw/zinc/91/33/42/723913342.db2.gz GYTSQSPMTBOILD-STQMWFEESA-N 1 1 364.833 3.304 20 5 FGBDMO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591545 724162676 /nfs/dbraw/zinc/16/26/76/724162676.db2.gz JQVVVSOUYGUCCT-FSICJAGISA-N 1 1 362.451 3.059 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)ccc1Cl ZINC000777440115 724225682 /nfs/dbraw/zinc/22/56/82/724225682.db2.gz UJCJJKOKGQUYNX-KRWDZBQOSA-N 1 1 350.777 3.481 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)ccc1Cl ZINC000777440115 724225686 /nfs/dbraw/zinc/22/56/86/724225686.db2.gz UJCJJKOKGQUYNX-KRWDZBQOSA-N 1 1 350.777 3.481 20 5 FGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000777439880 724225725 /nfs/dbraw/zinc/22/57/25/724225725.db2.gz PYOLDVUKTMLVKG-QGZVFWFLSA-N 1 1 350.777 3.481 20 5 FGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000777439880 724225728 /nfs/dbraw/zinc/22/57/28/724225728.db2.gz PYOLDVUKTMLVKG-QGZVFWFLSA-N 1 1 350.777 3.481 20 5 FGBDMO C[C@H]1CC[C@@](CO)([N@@H+](C)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000801546978 724312069 /nfs/dbraw/zinc/31/20/69/724312069.db2.gz XQNKLDFDFYCEFA-XHDPSFHLSA-N 1 1 357.248 3.340 20 5 FGBDMO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000801572408 724315217 /nfs/dbraw/zinc/31/52/17/724315217.db2.gz HHWHIGGYUFHHOK-INIZCTEOSA-N 1 1 355.460 3.393 20 5 FGBDMO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000801572408 724315222 /nfs/dbraw/zinc/31/52/22/724315222.db2.gz HHWHIGGYUFHHOK-INIZCTEOSA-N 1 1 355.460 3.393 20 5 FGBDMO CN(CCC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000801600052 724318358 /nfs/dbraw/zinc/31/83/58/724318358.db2.gz JXUBQZWPYFZHIY-UHFFFAOYSA-N 1 1 351.447 3.326 20 5 FGBDMO O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CN1 ZINC000809968525 725279185 /nfs/dbraw/zinc/27/91/85/725279185.db2.gz DHNDRPPZSJWRFA-HZMBPMFUSA-N 1 1 372.252 3.392 20 5 FGBDMO O=C1C[C@H]([C@@H]2CCCC[N@@H+]2Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CN1 ZINC000809968525 725279186 /nfs/dbraw/zinc/27/91/86/725279186.db2.gz DHNDRPPZSJWRFA-HZMBPMFUSA-N 1 1 372.252 3.392 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000810836594 725330050 /nfs/dbraw/zinc/33/00/50/725330050.db2.gz GYLVXEKIOSMBJZ-GXTWGEPZSA-N 1 1 350.440 3.490 20 5 FGBDMO Cn1cc(Cl)cc1C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172718 726845970 /nfs/dbraw/zinc/84/59/70/726845970.db2.gz MEFFQGUNQZXAKU-HNNXBMFYSA-N 1 1 363.801 3.018 20 5 FGBDMO Cn1cc(Cl)cc1C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172718 726845972 /nfs/dbraw/zinc/84/59/72/726845972.db2.gz MEFFQGUNQZXAKU-HNNXBMFYSA-N 1 1 363.801 3.018 20 5 FGBDMO CS[C@@H](C)CCC(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813170646 726846242 /nfs/dbraw/zinc/84/62/42/726846242.db2.gz JDBSPNJKEIUISM-BBRMVZONSA-N 1 1 352.456 3.244 20 5 FGBDMO CS[C@@H](C)CCC(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813170646 726846246 /nfs/dbraw/zinc/84/62/46/726846246.db2.gz JDBSPNJKEIUISM-BBRMVZONSA-N 1 1 352.456 3.244 20 5 FGBDMO C[C@@H]1C[C@@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000813475780 726882672 /nfs/dbraw/zinc/88/26/72/726882672.db2.gz GKGFPXMNJUHICO-PSASIEDQSA-N 1 1 358.225 3.257 20 5 FGBDMO C[N@H+]1CCCC[C@H]1CCOC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000818023857 727292615 /nfs/dbraw/zinc/29/26/15/727292615.db2.gz ADIDRYGMPUFFJO-LBPRGKRZSA-N 1 1 371.231 3.389 20 5 FGBDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1cccc(-c2nn[nH]n2)c1 ZINC000824618603 729351328 /nfs/dbraw/zinc/35/13/28/729351328.db2.gz PZLQAZVHEUFRKJ-SNVBAGLBSA-N 1 1 358.789 3.279 20 5 FGBDMO Cc1cc(Cl)c(C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000825529197 729386838 /nfs/dbraw/zinc/38/68/38/729386838.db2.gz ATJZAASSBSTTQO-DGCLKSJQSA-N 1 1 353.850 3.407 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000836775276 729969579 /nfs/dbraw/zinc/96/95/79/729969579.db2.gz ZSPIMVWDZVUOCK-IUODEOHRSA-N 1 1 351.834 3.113 20 5 FGBDMO CCOc1ccc(C(=O)OC[C@@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000842834315 730548329 /nfs/dbraw/zinc/54/83/29/730548329.db2.gz RDCPGOUQJLLHTB-CQSZACIVSA-N 1 1 350.415 3.271 20 5 FGBDMO Cc1cc(Cl)c(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000847254750 731040805 /nfs/dbraw/zinc/04/08/05/731040805.db2.gz HIKZCEBSWWBJMY-HUUCEWRRSA-N 1 1 351.834 3.303 20 5 FGBDMO C[C@H](CO)[C@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1Br ZINC000852427599 731582413 /nfs/dbraw/zinc/58/24/13/731582413.db2.gz NDEHVPULUAKETE-DGCLKSJQSA-N 1 1 357.248 3.340 20 5 FGBDMO C[C@H](CO)[C@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1Br ZINC000852427599 731582419 /nfs/dbraw/zinc/58/24/19/731582419.db2.gz NDEHVPULUAKETE-DGCLKSJQSA-N 1 1 357.248 3.340 20 5 FGBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)CC1=CCSC1 ZINC000852747634 731629975 /nfs/dbraw/zinc/62/99/75/731629975.db2.gz QYAFTNIHZXCANU-SNVBAGLBSA-N 1 1 355.847 3.180 20 5 FGBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)CC1=CCSC1 ZINC000852747634 731629977 /nfs/dbraw/zinc/62/99/77/731629977.db2.gz QYAFTNIHZXCANU-SNVBAGLBSA-N 1 1 355.847 3.180 20 5 FGBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000862631237 732858264 /nfs/dbraw/zinc/85/82/64/732858264.db2.gz MKCHBWKFMXNUNX-AWEZNQCLSA-N 1 1 351.834 3.385 20 5 FGBDMO C[C@H]1C[C@@H](c2ccc(Br)cc2)C[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000863323600 732945092 /nfs/dbraw/zinc/94/50/92/732945092.db2.gz PZXCGNPEUFCINW-WCQYABFASA-N 1 1 365.231 3.389 20 5 FGBDMO C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000863323596 732945291 /nfs/dbraw/zinc/94/52/91/732945291.db2.gz PZXCGNPEUFCINW-AAEUAGOBSA-N 1 1 365.231 3.389 20 5 FGBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ncc(Cl)s1 ZINC000872116504 735590963 /nfs/dbraw/zinc/59/09/63/735590963.db2.gz RQFGIQGVRNMXPI-SECBINFHSA-N 1 1 354.819 3.212 20 5 FGBDMO CC(C)(O)C1CC[NH+](Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000877754052 736714672 /nfs/dbraw/zinc/71/46/72/736714672.db2.gz SZTRZWUPBQOWRF-UHFFFAOYSA-N 1 1 357.248 3.340 20 5 FGBDMO C[N@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@@H]1CCSC1 ZINC000878303939 736802839 /nfs/dbraw/zinc/80/28/39/736802839.db2.gz GAOIYNKAMIVFHT-SNVBAGLBSA-N 1 1 354.819 3.236 20 5 FGBDMO C[N@@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@@H]1CCSC1 ZINC000878303939 736802840 /nfs/dbraw/zinc/80/28/40/736802840.db2.gz GAOIYNKAMIVFHT-SNVBAGLBSA-N 1 1 354.819 3.236 20 5 FGBDMO CO[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C[C@@H]1C ZINC000878678573 736907117 /nfs/dbraw/zinc/90/71/17/736907117.db2.gz JNKOHUFOSZVMGT-IINYFYTJSA-N 1 1 366.805 3.155 20 5 FGBDMO CO[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C[C@@H]1C ZINC000878678573 736907118 /nfs/dbraw/zinc/90/71/18/736907118.db2.gz JNKOHUFOSZVMGT-IINYFYTJSA-N 1 1 366.805 3.155 20 5 FGBDMO Cc1csc([C@@H]2CC[N@H+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000880007369 737096866 /nfs/dbraw/zinc/09/68/66/737096866.db2.gz FYAQRUBWTITFHZ-CYBMUJFWSA-N 1 1 360.439 3.096 20 5 FGBDMO Cc1csc([C@@H]2CC[N@@H+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000880007369 737096869 /nfs/dbraw/zinc/09/68/69/737096869.db2.gz FYAQRUBWTITFHZ-CYBMUJFWSA-N 1 1 360.439 3.096 20 5 FGBDMO COc1ccc(C[NH2+]Cc2ccc(OC)c(OC)c2F)cc1[N+](=O)[O-] ZINC000885951377 739202557 /nfs/dbraw/zinc/20/25/57/739202557.db2.gz GVHODTWQGBZMTI-UHFFFAOYSA-N 1 1 350.346 3.050 20 5 FGBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886828193 739307488 /nfs/dbraw/zinc/30/74/88/739307488.db2.gz YZAWSSFKKKQYBJ-XHBSWPGZSA-N 1 1 367.833 3.076 20 5 FGBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886828193 739307491 /nfs/dbraw/zinc/30/74/91/739307491.db2.gz YZAWSSFKKKQYBJ-XHBSWPGZSA-N 1 1 367.833 3.076 20 5 FGBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1 ZINC000896268349 742523664 /nfs/dbraw/zinc/52/36/64/742523664.db2.gz XXUYXQOXQTZSRN-QMMMGPOBSA-N 1 1 364.204 3.112 20 5 FGBDMO COc1c(O)ccc(C[NH2+]Cc2cccc(Cl)c2OC)c1[N+](=O)[O-] ZINC000897480273 742682481 /nfs/dbraw/zinc/68/24/81/742682481.db2.gz VPNDIPQMFJJNPT-UHFFFAOYSA-N 1 1 352.774 3.261 20 5 FGBDMO Cc1[nH+]ccn1CCCCNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000906792273 744159899 /nfs/dbraw/zinc/15/98/99/744159899.db2.gz KBGMYKJMQALFPJ-UHFFFAOYSA-N 1 1 364.833 3.282 20 5 FGBDMO O=[N+]([O-])c1ccc(Br)c(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)c1 ZINC000930071799 760523024 /nfs/dbraw/zinc/52/30/24/760523024.db2.gz LMFGNBTWZRHIOA-RYUDHWBXSA-N 1 1 355.232 3.216 20 5 FGBDMO O=[N+]([O-])c1ncccc1C[NH+]1CCC(Cc2nc3c(s2)CCC3)CC1 ZINC000932622321 761203692 /nfs/dbraw/zinc/20/36/92/761203692.db2.gz GKZLHIKSMQQSLG-UHFFFAOYSA-N 1 1 358.467 3.390 20 5 FGBDMO COC(=O)c1cnc([C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3C)C2)s1 ZINC000932665073 761211536 /nfs/dbraw/zinc/21/15/36/761211536.db2.gz RSXWOJDGXKLVSU-ZDUSSCGKSA-N 1 1 361.423 3.136 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCCSC[C@@H]3C3CC3)n2)c1 ZINC000933918983 761496021 /nfs/dbraw/zinc/49/60/21/761496021.db2.gz YCOKUZASTXNHDS-OAHLLOKOSA-N 1 1 360.439 3.362 20 5 FGBDMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cncs1 ZINC000934197511 761557019 /nfs/dbraw/zinc/55/70/19/761557019.db2.gz DEFHCHMVMSFSTE-BDAKNGLRSA-N 1 1 354.819 3.383 20 5 FGBDMO CC(C)c1nnc(C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)s1 ZINC000536847075 503739661 /nfs/dbraw/zinc/73/96/61/503739661.db2.gz SUEQVQCJFHXDFW-LLVKDONJSA-N 1 1 363.443 3.077 20 5 FGBDMO C[NH+]1CCC([C@@H]2CCN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)CC1 ZINC000568118977 505621924 /nfs/dbraw/zinc/62/19/24/505621924.db2.gz VPYWPGQGSSRTIW-CQSZACIVSA-N 1 1 369.412 3.360 20 5 FGBDMO CCOc1cc(C[N@H+]2C[C@@H](c3cnn(C)c3)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000579969601 505655071 /nfs/dbraw/zinc/65/50/71/505655071.db2.gz JYSPIRRSBBFNGH-INIZCTEOSA-N 1 1 358.442 3.353 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000068203629 493778249 /nfs/dbraw/zinc/77/82/49/493778249.db2.gz VXNXOQFCGOCADJ-MRXNPFEDSA-N 1 1 372.469 3.320 20 5 FGBDMO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000076732749 493961631 /nfs/dbraw/zinc/96/16/31/493961631.db2.gz KVDJIJKENSLBCY-LBPRGKRZSA-N 1 1 361.829 3.410 20 5 FGBDMO Cc1ccc([C@H](C)[N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC000052907621 494074520 /nfs/dbraw/zinc/07/45/20/494074520.db2.gz VFTFJFVTQTTYTP-HNNXBMFYSA-N 1 1 353.422 3.485 20 5 FGBDMO Cc1ccc([C@H](C)[N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC000052907621 494074525 /nfs/dbraw/zinc/07/45/25/494074525.db2.gz VFTFJFVTQTTYTP-HNNXBMFYSA-N 1 1 353.422 3.485 20 5 FGBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)COc1ccc(F)cc1 ZINC000064350077 494116754 /nfs/dbraw/zinc/11/67/54/494116754.db2.gz ZEYGBAODQXSOQY-GOSISDBHSA-N 1 1 362.401 3.384 20 5 FGBDMO O=[N+]([O-])c1ccc(OCCN2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000065208370 494178805 /nfs/dbraw/zinc/17/88/05/494178805.db2.gz RKAVRTJLTPVXGZ-QPJJXVBHSA-N 1 1 367.449 3.305 20 5 FGBDMO O=[N+]([O-])c1ccc(OCC[NH+]2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000065208370 494178807 /nfs/dbraw/zinc/17/88/07/494178807.db2.gz RKAVRTJLTPVXGZ-QPJJXVBHSA-N 1 1 367.449 3.305 20 5 FGBDMO CCC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H]1CCCCO1 ZINC000072610783 494216311 /nfs/dbraw/zinc/21/63/11/494216311.db2.gz LQMQFCJXMFQSRP-MRXNPFEDSA-N 1 1 360.414 3.426 20 5 FGBDMO CCC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H]1CCCCO1 ZINC000072610783 494216314 /nfs/dbraw/zinc/21/63/14/494216314.db2.gz LQMQFCJXMFQSRP-MRXNPFEDSA-N 1 1 360.414 3.426 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCCOCCc3ccccc3)C2)nc1 ZINC000072664910 494228965 /nfs/dbraw/zinc/22/89/65/494228965.db2.gz ACHOSVAMXMOJLX-SFHVURJKSA-N 1 1 370.453 3.125 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000072716039 494238531 /nfs/dbraw/zinc/23/85/31/494238531.db2.gz RESFOOXXDMPHGI-QGZVFWFLSA-N 1 1 361.442 3.265 20 5 FGBDMO Cc1cccc(C)c1OC[C@H](O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607904 494253441 /nfs/dbraw/zinc/25/34/41/494253441.db2.gz ILWHZVDXHUVQLT-LJQANCHMSA-N 1 1 356.422 3.010 20 5 FGBDMO Cc1cccc(C)c1OC[C@H](O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607904 494253444 /nfs/dbraw/zinc/25/34/44/494253444.db2.gz ILWHZVDXHUVQLT-LJQANCHMSA-N 1 1 356.422 3.010 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@H](Nc3ncc(C)cc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000088751341 494257686 /nfs/dbraw/zinc/25/76/86/494257686.db2.gz NVNNGEMKEBBUPC-OAHLLOKOSA-N 1 1 372.425 3.002 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000043149025 494271237 /nfs/dbraw/zinc/27/12/37/494271237.db2.gz CMCNEXDFUHLZPZ-HNNXBMFYSA-N 1 1 368.437 3.472 20 5 FGBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000054805771 494273135 /nfs/dbraw/zinc/27/31/35/494273135.db2.gz PYGAMLQVNZWIKL-OAHLLOKOSA-N 1 1 362.474 3.247 20 5 FGBDMO COc1ccc([C@H](C[NH+](C)C)N[C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000571344419 505710989 /nfs/dbraw/zinc/71/09/89/505710989.db2.gz INEZPQDLOCUMSU-MOPGFXCFSA-N 1 1 355.438 3.483 20 5 FGBDMO C[NH+](C)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000043343100 494289317 /nfs/dbraw/zinc/28/93/17/494289317.db2.gz AOGLZGIUGZXOAX-ZDUSSCGKSA-N 1 1 352.778 3.266 20 5 FGBDMO Cc1sc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000043732163 494315677 /nfs/dbraw/zinc/31/56/77/494315677.db2.gz JGAVTMXQPPUHFU-UHFFFAOYSA-N 1 1 359.451 3.313 20 5 FGBDMO Cc1sc(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000043732163 494315682 /nfs/dbraw/zinc/31/56/82/494315682.db2.gz JGAVTMXQPPUHFU-UHFFFAOYSA-N 1 1 359.451 3.313 20 5 FGBDMO COC(=O)C[C@@H]1CCCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089892404 494394667 /nfs/dbraw/zinc/39/46/67/494394667.db2.gz IXIJKVOEALJXJU-INIZCTEOSA-N 1 1 359.382 3.167 20 5 FGBDMO COC(=O)C[C@@H]1CCCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089892404 494394668 /nfs/dbraw/zinc/39/46/68/494394668.db2.gz IXIJKVOEALJXJU-INIZCTEOSA-N 1 1 359.382 3.167 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000089923095 494402392 /nfs/dbraw/zinc/40/23/92/494402392.db2.gz QFROYYQPZJICAH-UHFFFAOYSA-N 1 1 356.426 3.040 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000089923095 494402394 /nfs/dbraw/zinc/40/23/94/494402394.db2.gz QFROYYQPZJICAH-UHFFFAOYSA-N 1 1 356.426 3.040 20 5 FGBDMO C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000045313697 494416162 /nfs/dbraw/zinc/41/61/62/494416162.db2.gz DKEIORFLVLUWCS-AWEZNQCLSA-N 1 1 354.410 3.163 20 5 FGBDMO C[N@@H+]1CC[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1 ZINC000089997296 494422403 /nfs/dbraw/zinc/42/24/03/494422403.db2.gz UVFKIJQXVUFCOT-HIFRSBDPSA-N 1 1 365.842 3.485 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1 ZINC000089997296 494422406 /nfs/dbraw/zinc/42/24/06/494422406.db2.gz UVFKIJQXVUFCOT-HIFRSBDPSA-N 1 1 365.842 3.485 20 5 FGBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000055908506 494426725 /nfs/dbraw/zinc/42/67/25/494426725.db2.gz KAKHNGCYCOWXGY-KRWDZBQOSA-N 1 1 357.385 3.040 20 5 FGBDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000079309151 494435415 /nfs/dbraw/zinc/43/54/15/494435415.db2.gz LVWLDIMKCQRTPC-JSGCOSHPSA-N 1 1 374.384 3.330 20 5 FGBDMO CCN1CC[NH+]([C@H](C)CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000090071156 494436702 /nfs/dbraw/zinc/43/67/02/494436702.db2.gz TUNOXMVOSQPHQV-MRXNPFEDSA-N 1 1 369.469 3.095 20 5 FGBDMO C[N@@H+](CCNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C1CC1 ZINC000066924681 494438989 /nfs/dbraw/zinc/43/89/89/494438989.db2.gz IINQVKSHOQILCY-UHFFFAOYSA-N 1 1 368.437 3.031 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000067162796 494487465 /nfs/dbraw/zinc/48/74/65/494487465.db2.gz RVINZRVDDIQGKF-KRWDZBQOSA-N 1 1 353.422 3.298 20 5 FGBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1cnn(-c2ccccc2)c1 ZINC000046054380 494491217 /nfs/dbraw/zinc/49/12/17/494491217.db2.gz NNMHJIGXXNGMJQ-UHFFFAOYSA-N 1 1 352.394 3.291 20 5 FGBDMO COc1cc(C[N@@H+](C[C@H]2CCOC2)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000046092873 494493975 /nfs/dbraw/zinc/49/39/75/494493975.db2.gz ABBSYVMTXNLTCH-LLVKDONJSA-N 1 1 372.368 3.206 20 5 FGBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000046752463 494560980 /nfs/dbraw/zinc/56/09/80/494560980.db2.gz QNSHEALLERTJGY-INIZCTEOSA-N 1 1 362.474 3.248 20 5 FGBDMO CCC[N@@H+](CC)C[C@H](C)Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000577449480 505729479 /nfs/dbraw/zinc/72/94/79/505729479.db2.gz GOHCIIXMMJIKFW-AWEZNQCLSA-N 1 1 373.457 3.092 20 5 FGBDMO COCc1ccc([C@@H]2CCC[N@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000131380935 494601233 /nfs/dbraw/zinc/60/12/33/494601233.db2.gz BKPGGGYWPQYJGM-KRWDZBQOSA-N 1 1 373.409 3.500 20 5 FGBDMO CCOc1ccc(C(=O)NCc2cccc(C[N@@H+](C)CC)c2)cc1[N+](=O)[O-] ZINC000067679412 494607685 /nfs/dbraw/zinc/60/76/85/494607685.db2.gz XGTFNZZRGWSWEI-UHFFFAOYSA-N 1 1 371.437 3.375 20 5 FGBDMO CC[N@H+](CCc1nccs1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000121207411 494645879 /nfs/dbraw/zinc/64/58/79/494645879.db2.gz WEJTYSMXBGQCKC-CYBMUJFWSA-N 1 1 362.455 3.251 20 5 FGBDMO CC[N@@H+](CCc1nccs1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000121207411 494645885 /nfs/dbraw/zinc/64/58/85/494645885.db2.gz WEJTYSMXBGQCKC-CYBMUJFWSA-N 1 1 362.455 3.251 20 5 FGBDMO Cc1cc(CNc2nc3sccn3c2[N+](=O)[O-])cc(N2CCCC2)[nH+]1 ZINC000571459245 505737799 /nfs/dbraw/zinc/73/77/99/505737799.db2.gz SWDBBMUOMJSJFQ-UHFFFAOYSA-N 1 1 358.427 3.220 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000080542963 494732567 /nfs/dbraw/zinc/73/25/67/494732567.db2.gz NXPGUTIYFKFHPZ-UHFFFAOYSA-N 1 1 368.437 3.418 20 5 FGBDMO C[C@H]1C[NH+](Cc2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)C[C@H](C)O1 ZINC000121423766 494748629 /nfs/dbraw/zinc/74/86/29/494748629.db2.gz XNGLHWWKKRRLTR-GJZGRUSLSA-N 1 1 369.421 3.456 20 5 FGBDMO CNC(=O)c1ccc(NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000080671662 494763039 /nfs/dbraw/zinc/76/30/39/494763039.db2.gz NXRAZEQGAJMXAY-OAHLLOKOSA-N 1 1 370.453 3.277 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000068126620 494771074 /nfs/dbraw/zinc/77/10/74/494771074.db2.gz QRDKLLHXRMRQBI-MRXNPFEDSA-N 1 1 363.458 3.135 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000092073893 494779888 /nfs/dbraw/zinc/77/98/88/494779888.db2.gz MITGFYFXLKAZDR-NSHDSACASA-N 1 1 352.341 3.299 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000092073893 494779894 /nfs/dbraw/zinc/77/98/94/494779894.db2.gz MITGFYFXLKAZDR-NSHDSACASA-N 1 1 352.341 3.299 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092073893 494779899 /nfs/dbraw/zinc/77/98/99/494779899.db2.gz MITGFYFXLKAZDR-NSHDSACASA-N 1 1 352.341 3.299 20 5 FGBDMO COc1ccccc1C[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000026223483 494810619 /nfs/dbraw/zinc/81/06/19/494810619.db2.gz IUKOYBNDDZLPDU-UHFFFAOYSA-N 1 1 357.410 3.372 20 5 FGBDMO CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253390 494822474 /nfs/dbraw/zinc/82/24/74/494822474.db2.gz JSTHTKBHJPFFRB-CQSZACIVSA-N 1 1 360.483 3.492 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCSc3ccccc3F)CC2)cn1 ZINC000026487477 494828676 /nfs/dbraw/zinc/82/86/76/494828676.db2.gz WBLMRXFFSUXTDS-UHFFFAOYSA-N 1 1 362.430 3.043 20 5 FGBDMO CCOC[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000093418892 494890646 /nfs/dbraw/zinc/89/06/46/494890646.db2.gz DZLTYSMNKYUPDS-HNNXBMFYSA-N 1 1 358.442 3.244 20 5 FGBDMO COc1cc(C[N@H+](C)CC[C@H](C)O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000093481895 494896580 /nfs/dbraw/zinc/89/65/80/494896580.db2.gz HPSNOJDYYCTAOC-HNNXBMFYSA-N 1 1 374.437 3.385 20 5 FGBDMO COc1cc(C[N@@H+](C)CC[C@H](C)O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000093481895 494896584 /nfs/dbraw/zinc/89/65/84/494896584.db2.gz HPSNOJDYYCTAOC-HNNXBMFYSA-N 1 1 374.437 3.385 20 5 FGBDMO Cc1cccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1C ZINC000093608086 494902678 /nfs/dbraw/zinc/90/26/78/494902678.db2.gz PRWRATZMONOHFT-UHFFFAOYSA-N 1 1 353.422 3.170 20 5 FGBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(C[N@@H+](C)C(C)C)c2)c1 ZINC000110871422 495015935 /nfs/dbraw/zinc/01/59/35/495015935.db2.gz ZZTKMYVJAXSZRX-UHFFFAOYSA-N 1 1 371.437 3.374 20 5 FGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)CCc1ccccn1 ZINC000123688985 495171791 /nfs/dbraw/zinc/17/17/91/495171791.db2.gz GAROZEDHZAEIEV-ZDUSSCGKSA-N 1 1 353.382 3.275 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000119586957 495196548 /nfs/dbraw/zinc/19/65/48/495196548.db2.gz CFKCQBFYHJLYLN-HNAYVOBHSA-N 1 1 353.422 3.154 20 5 FGBDMO Cc1c(C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000134897361 495218876 /nfs/dbraw/zinc/21/88/76/495218876.db2.gz WQGZTCJJCBCRHB-PBHICJAKSA-N 1 1 353.422 3.296 20 5 FGBDMO CN(C(=O)C[N@H+]1CC[C@@H](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000124139023 495240927 /nfs/dbraw/zinc/24/09/27/495240927.db2.gz JBJDNKGDMDOLLI-KRWDZBQOSA-N 1 1 353.422 3.122 20 5 FGBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000119818634 495248218 /nfs/dbraw/zinc/24/82/18/495248218.db2.gz KQGRCLUILAWPHX-CABCVRRESA-N 1 1 365.499 3.170 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@@H](O)COCc1cccs1)C1CC1 ZINC000135237229 495267459 /nfs/dbraw/zinc/26/74/59/495267459.db2.gz WAZPXUNAHZKZOY-MRXNPFEDSA-N 1 1 362.451 3.198 20 5 FGBDMO COc1ccccc1CC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000104711087 495299252 /nfs/dbraw/zinc/29/92/52/495299252.db2.gz BCWOYGCRMMMODF-AWEZNQCLSA-N 1 1 357.410 3.105 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1cc(Cl)cn1C ZINC000120133851 495313486 /nfs/dbraw/zinc/31/34/86/495313486.db2.gz RLOZSMPKEVSXBO-UHFFFAOYSA-N 1 1 364.833 3.356 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1cccnc1)C1CC1 ZINC000124674050 495325434 /nfs/dbraw/zinc/32/54/34/495325434.db2.gz HROYAZYDRSLDBD-UHFFFAOYSA-N 1 1 354.410 3.291 20 5 FGBDMO Cc1sc(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000137429517 495440757 /nfs/dbraw/zinc/44/07/57/495440757.db2.gz VEEODOLGYQYWQT-SWLSCSKDSA-N 1 1 359.451 3.358 20 5 FGBDMO C[C@@H]1C[C@@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000131262088 495514362 /nfs/dbraw/zinc/51/43/62/495514362.db2.gz MXLQALNLJSMKFR-ZBFHGGJFSA-N 1 1 371.412 3.374 20 5 FGBDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000115555893 495516194 /nfs/dbraw/zinc/51/61/94/495516194.db2.gz OVYMOQIYMJOSOK-AYBZRNKSSA-N 1 1 356.422 3.213 20 5 FGBDMO COC(=O)[C@@H](C)Oc1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000179316592 495540953 /nfs/dbraw/zinc/54/09/53/495540953.db2.gz CFGNWZVSIZOIHK-CQSZACIVSA-N 1 1 358.394 3.167 20 5 FGBDMO COC(=O)[C@@H](C)Oc1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000179316592 495540957 /nfs/dbraw/zinc/54/09/57/495540957.db2.gz CFGNWZVSIZOIHK-CQSZACIVSA-N 1 1 358.394 3.167 20 5 FGBDMO CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(OC)cc1 ZINC000154207807 495544181 /nfs/dbraw/zinc/54/41/81/495544181.db2.gz IFZNXQDMWFBHAH-UHFFFAOYSA-N 1 1 357.410 3.454 20 5 FGBDMO Cc1cnc([C@@H]([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C2CC2)s1 ZINC000185372807 495553418 /nfs/dbraw/zinc/55/34/18/495553418.db2.gz XUMIAMXDISHWRX-INIZCTEOSA-N 1 1 360.439 3.063 20 5 FGBDMO C[C@@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000173528773 495574955 /nfs/dbraw/zinc/57/49/55/495574955.db2.gz VCQDWGLZLPHDGS-QGZVFWFLSA-N 1 1 367.449 3.260 20 5 FGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 ZINC000154330004 495583301 /nfs/dbraw/zinc/58/33/01/495583301.db2.gz ZBLUBYDIVCBROS-LLVKDONJSA-N 1 1 372.265 3.445 20 5 FGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 ZINC000154330004 495583305 /nfs/dbraw/zinc/58/33/05/495583305.db2.gz ZBLUBYDIVCBROS-LLVKDONJSA-N 1 1 372.265 3.445 20 5 FGBDMO C[C@@H](CCNC(=O)COc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000173605663 495611284 /nfs/dbraw/zinc/61/12/84/495611284.db2.gz INRGURUQOWFUBQ-INIZCTEOSA-N 1 1 371.437 3.000 20 5 FGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000179518064 495624646 /nfs/dbraw/zinc/62/46/46/495624646.db2.gz VRGWLJWGTHFZFU-HNNXBMFYSA-N 1 1 371.441 3.239 20 5 FGBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)cc1 ZINC000179518064 495624651 /nfs/dbraw/zinc/62/46/51/495624651.db2.gz VRGWLJWGTHFZFU-HNNXBMFYSA-N 1 1 371.441 3.239 20 5 FGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)cc1 ZINC000179518064 495624655 /nfs/dbraw/zinc/62/46/55/495624655.db2.gz VRGWLJWGTHFZFU-HNNXBMFYSA-N 1 1 371.441 3.239 20 5 FGBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000150761109 495625554 /nfs/dbraw/zinc/62/55/54/495625554.db2.gz ZSHOTMLIJZTLPT-OAHLLOKOSA-N 1 1 362.474 3.107 20 5 FGBDMO COc1cccc2c1CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C2 ZINC000182686630 495664836 /nfs/dbraw/zinc/66/48/36/495664836.db2.gz ZTGQEDWNUNIQAH-UHFFFAOYSA-N 1 1 369.421 3.299 20 5 FGBDMO C[C@H]1C[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[N@H+]1C1CC1 ZINC000151055259 495725169 /nfs/dbraw/zinc/72/51/69/495725169.db2.gz WEWUTCWNCLIPND-JSGCOSHPSA-N 1 1 358.467 3.433 20 5 FGBDMO C[C@H]1C[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CN1C1CC1 ZINC000151055259 495725173 /nfs/dbraw/zinc/72/51/73/495725173.db2.gz WEWUTCWNCLIPND-JSGCOSHPSA-N 1 1 358.467 3.433 20 5 FGBDMO COC(=O)C[C@H]1CCC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000179887580 495771419 /nfs/dbraw/zinc/77/14/19/495771419.db2.gz SUYVHCMZDGMZFV-CQSZACIVSA-N 1 1 361.423 3.246 20 5 FGBDMO COC(=O)C[C@H]1CCC[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000179887580 495771426 /nfs/dbraw/zinc/77/14/26/495771426.db2.gz SUYVHCMZDGMZFV-CQSZACIVSA-N 1 1 361.423 3.246 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000179981662 495810302 /nfs/dbraw/zinc/81/03/02/495810302.db2.gz ZSGJJVSQVLRMBN-LBPRGKRZSA-N 1 1 371.384 3.191 20 5 FGBDMO CCOc1cccc(NCc2ccccc2C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000183136933 495848930 /nfs/dbraw/zinc/84/89/30/495848930.db2.gz LGYOLJHPUDIDET-UHFFFAOYSA-N 1 1 371.437 3.438 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000151547068 495873841 /nfs/dbraw/zinc/87/38/41/495873841.db2.gz SLNCWRAFWRXKQJ-GOSISDBHSA-N 1 1 369.421 3.133 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000151547068 495873845 /nfs/dbraw/zinc/87/38/45/495873845.db2.gz SLNCWRAFWRXKQJ-GOSISDBHSA-N 1 1 369.421 3.133 20 5 FGBDMO CC(C)[C@]1(CO)CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000577878133 505810385 /nfs/dbraw/zinc/81/03/85/505810385.db2.gz NGVLPAVKXUVCPY-QGZVFWFLSA-N 1 1 358.385 3.427 20 5 FGBDMO CC(C)[C@]1(CO)CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000577878133 505810388 /nfs/dbraw/zinc/81/03/88/505810388.db2.gz NGVLPAVKXUVCPY-QGZVFWFLSA-N 1 1 358.385 3.427 20 5 FGBDMO CC(C)[C@@]1(CO)CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000577878132 505810573 /nfs/dbraw/zinc/81/05/73/505810573.db2.gz NGVLPAVKXUVCPY-KRWDZBQOSA-N 1 1 358.385 3.427 20 5 FGBDMO CC(C)[C@@]1(CO)CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000577878132 505810574 /nfs/dbraw/zinc/81/05/74/505810574.db2.gz NGVLPAVKXUVCPY-KRWDZBQOSA-N 1 1 358.385 3.427 20 5 FGBDMO C[C@H]1C[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000177192578 495969469 /nfs/dbraw/zinc/96/94/69/495969469.db2.gz IZKQWKIEKKZCFQ-YJBOKZPZSA-N 1 1 368.437 3.057 20 5 FGBDMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)nc1 ZINC000174606050 496030259 /nfs/dbraw/zinc/03/02/59/496030259.db2.gz MOFHYOQLMDHAPV-INIZCTEOSA-N 1 1 354.410 3.149 20 5 FGBDMO CN(Cc1ccc([N+](=O)[O-])cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174655791 496048042 /nfs/dbraw/zinc/04/80/42/496048042.db2.gz HUFLQXRVPQMARC-UHFFFAOYSA-N 1 1 354.454 3.129 20 5 FGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000571817584 505821440 /nfs/dbraw/zinc/82/14/40/505821440.db2.gz MXAMNZYYNPSOIT-SNVBAGLBSA-N 1 1 372.263 3.124 20 5 FGBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000177532864 496100955 /nfs/dbraw/zinc/10/09/55/496100955.db2.gz SNUYPGZNHMCCNM-NSHDSACASA-N 1 1 372.372 3.002 20 5 FGBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](c3ccccc3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000177555526 496109667 /nfs/dbraw/zinc/10/96/67/496109667.db2.gz RNNBICWMHLWFRF-PBHICJAKSA-N 1 1 369.421 3.420 20 5 FGBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@H](c3ccccc3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000177555526 496109672 /nfs/dbraw/zinc/10/96/72/496109672.db2.gz RNNBICWMHLWFRF-PBHICJAKSA-N 1 1 369.421 3.420 20 5 FGBDMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)cc2)C1 ZINC000186938468 496220392 /nfs/dbraw/zinc/22/03/92/496220392.db2.gz ZLQKZKASZIMBHV-ZDUSSCGKSA-N 1 1 370.409 3.180 20 5 FGBDMO CCOc1ccccc1NC(=O)CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000177887947 496239872 /nfs/dbraw/zinc/23/98/72/496239872.db2.gz RFKKNWLNZBCHNT-UHFFFAOYSA-N 1 1 357.410 3.454 20 5 FGBDMO C[C@H](NC1CC[NH+](CCc2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000152880722 496284267 /nfs/dbraw/zinc/28/42/67/496284267.db2.gz WDMNCHOSRZYXCJ-INIZCTEOSA-N 1 1 354.454 3.348 20 5 FGBDMO C[C@@H](C(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000580780571 505836517 /nfs/dbraw/zinc/83/65/17/505836517.db2.gz DWDWHKPYIMYXEG-IIBYNOLFSA-N 1 1 367.449 3.479 20 5 FGBDMO C[C@]1(CNC(=O)Cc2ccccc2[N+](=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000162382689 496345915 /nfs/dbraw/zinc/34/59/15/496345915.db2.gz RLSDHWMBLJFOGF-OAQYLSRUSA-N 1 1 367.449 3.308 20 5 FGBDMO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162536677 496369639 /nfs/dbraw/zinc/36/96/39/496369639.db2.gz OTJSSLGYHJRLEW-BXUZGUMPSA-N 1 1 357.248 3.483 20 5 FGBDMO C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162536677 496369643 /nfs/dbraw/zinc/36/96/43/496369643.db2.gz OTJSSLGYHJRLEW-BXUZGUMPSA-N 1 1 357.248 3.483 20 5 FGBDMO CC(C)(C)OC1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000162558554 496373016 /nfs/dbraw/zinc/37/30/16/496373016.db2.gz KXIUABSYZOBPPE-UHFFFAOYSA-N 1 1 350.415 3.241 20 5 FGBDMO Cc1c(CC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000181497155 496421091 /nfs/dbraw/zinc/42/10/91/496421091.db2.gz YIZOIXUPPLIHHV-RDJZCZTQSA-N 1 1 359.470 3.215 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])C1CC1 ZINC000187669364 496528582 /nfs/dbraw/zinc/52/85/82/496528582.db2.gz DNIFWQSTHOPKRV-QGZVFWFLSA-N 1 1 369.425 3.022 20 5 FGBDMO CC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H](C)c1cccc(O)c1 ZINC000178710527 496548320 /nfs/dbraw/zinc/54/83/20/496548320.db2.gz FNEORXFBOHSPME-CQSZACIVSA-N 1 1 369.421 3.273 20 5 FGBDMO CC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H](C)c1cccc(O)c1 ZINC000178710527 496548324 /nfs/dbraw/zinc/54/83/24/496548324.db2.gz FNEORXFBOHSPME-CQSZACIVSA-N 1 1 369.421 3.273 20 5 FGBDMO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000153717878 496556081 /nfs/dbraw/zinc/55/60/81/496556081.db2.gz VJDYAGIEKXIGGG-XMIMXHRVSA-N 1 1 355.438 3.083 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000153789924 496580998 /nfs/dbraw/zinc/58/09/98/496580998.db2.gz PYQNOMRERWGXRE-DOMZBBRYSA-N 1 1 361.833 3.361 20 5 FGBDMO C[N@@H+](CCc1ccc(Cl)cc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181881961 496584454 /nfs/dbraw/zinc/58/44/54/496584454.db2.gz OOPKDMCNAGJZDT-MRXNPFEDSA-N 1 1 364.829 3.162 20 5 FGBDMO COc1cc(C[N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)ccc1SC ZINC000153820122 496591047 /nfs/dbraw/zinc/59/10/47/496591047.db2.gz BXKVUVDIZIOVFH-INIZCTEOSA-N 1 1 362.451 3.491 20 5 FGBDMO C[C@H](C(=O)NCCC[N@H+]1CCCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000184937156 496591904 /nfs/dbraw/zinc/59/19/04/496591904.db2.gz MTDGXNHPQWNEPY-KBPBESRZSA-N 1 1 351.422 3.218 20 5 FGBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccc2c(c1)OCO2 ZINC000164189265 496593342 /nfs/dbraw/zinc/59/33/42/496593342.db2.gz XHYMAYLPZREVGW-UHFFFAOYSA-N 1 1 371.393 3.093 20 5 FGBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccc2c(c1)OCO2 ZINC000164189265 496593345 /nfs/dbraw/zinc/59/33/45/496593345.db2.gz XHYMAYLPZREVGW-UHFFFAOYSA-N 1 1 371.393 3.093 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1c1ccncc1 ZINC000153834526 496596042 /nfs/dbraw/zinc/59/60/42/496596042.db2.gz BDRMIKOSSSYJCP-KRWDZBQOSA-N 1 1 370.409 3.164 20 5 FGBDMO C[NH+]1CCC(CNc2ncc(Cl)cc2[N+](=O)[O-])(N2CCCCC2)CC1 ZINC000153851356 496601441 /nfs/dbraw/zinc/60/14/41/496601441.db2.gz QZCWZSJPEJTVRJ-UHFFFAOYSA-N 1 1 367.881 3.005 20 5 FGBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000154111148 496687040 /nfs/dbraw/zinc/68/70/40/496687040.db2.gz KTSBOHWUZQCSJC-CQSZACIVSA-N 1 1 365.499 3.415 20 5 FGBDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000179166704 496699755 /nfs/dbraw/zinc/69/97/55/496699755.db2.gz CYJMNEBYUSCIFY-UHFFFAOYSA-N 1 1 372.469 3.342 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000182189010 496701383 /nfs/dbraw/zinc/70/13/83/496701383.db2.gz QOVQDMLQWMGNJD-QGZVFWFLSA-N 1 1 360.385 3.138 20 5 FGBDMO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000179215646 496714444 /nfs/dbraw/zinc/71/44/44/496714444.db2.gz AAKDRLHHSNGONG-AWEZNQCLSA-N 1 1 373.409 3.413 20 5 FGBDMO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000179215646 496714448 /nfs/dbraw/zinc/71/44/48/496714448.db2.gz AAKDRLHHSNGONG-AWEZNQCLSA-N 1 1 373.409 3.413 20 5 FGBDMO CCC[N@H+]1CC[C@@H](CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000264089842 496810076 /nfs/dbraw/zinc/81/00/76/496810076.db2.gz PTWQBLWBOKQIIW-KRWDZBQOSA-N 1 1 362.474 3.247 20 5 FGBDMO CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc3c2C[N@@H+](CCC(C)C)C3)n1 ZINC000191596506 496825872 /nfs/dbraw/zinc/82/58/72/496825872.db2.gz KKXLACOQLALZJA-UHFFFAOYSA-N 1 1 371.441 3.425 20 5 FGBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000269013549 496848600 /nfs/dbraw/zinc/84/86/00/496848600.db2.gz NKJXNQGQVRSZKM-RISCZKNCSA-N 1 1 371.359 3.170 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000247400089 496850567 /nfs/dbraw/zinc/85/05/67/496850567.db2.gz MOUPMIUSFBUBPI-VBQJREDUSA-N 1 1 365.499 3.264 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000247988493 496940601 /nfs/dbraw/zinc/94/06/01/496940601.db2.gz IRQGRBFPCCPBTA-PKOBYXMFSA-N 1 1 371.462 3.249 20 5 FGBDMO Cn1cccc1[C@@H]1CCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000189120633 497015284 /nfs/dbraw/zinc/01/52/84/497015284.db2.gz FCDCOQJADCHHBT-KRWDZBQOSA-N 1 1 360.389 3.238 20 5 FGBDMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000248458706 497019233 /nfs/dbraw/zinc/01/92/33/497019233.db2.gz QNYKPCXGGBWLFB-AAEUAGOBSA-N 1 1 369.874 3.035 20 5 FGBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000248545491 497035658 /nfs/dbraw/zinc/03/56/58/497035658.db2.gz DKQAVRDPSBPBQH-KGLIPLIRSA-N 1 1 351.422 3.028 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[NH+]2CCC([C@@H]3CCCO3)CC2)cccc1[N+](=O)[O-] ZINC000189222446 497050723 /nfs/dbraw/zinc/05/07/23/497050723.db2.gz BNGAXAABSDTHAK-KSSFIOAISA-N 1 1 361.442 3.121 20 5 FGBDMO O=[N+]([O-])c1cc(C[NH2+][C@@H](CCO)c2ccco2)ccc1Br ZINC000274376751 497083310 /nfs/dbraw/zinc/08/33/10/497083310.db2.gz IANYFBIDFGOIDG-LBPRGKRZSA-N 1 1 355.188 3.164 20 5 FGBDMO CC1(C2CC[NH+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)OCCO1 ZINC000270553537 497149014 /nfs/dbraw/zinc/14/90/14/497149014.db2.gz VFOLQICSURRYBI-UHFFFAOYSA-N 1 1 373.409 3.225 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000189785140 497243796 /nfs/dbraw/zinc/24/37/96/497243796.db2.gz YSTSRDRPJSGKKS-WMZOPIPTSA-N 1 1 370.409 3.170 20 5 FGBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000266282847 497295559 /nfs/dbraw/zinc/29/55/59/497295559.db2.gz HAICOVUGBGNQFK-PWSUYJOCSA-N 1 1 359.348 3.168 20 5 FGBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000245438733 497406858 /nfs/dbraw/zinc/40/68/58/497406858.db2.gz SJADEJHUEZBWAW-AEFFLSMTSA-N 1 1 370.453 3.351 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)c(F)c1 ZINC000267006383 497466928 /nfs/dbraw/zinc/46/69/28/497466928.db2.gz FXQPMTMFVCSGSK-AWEZNQCLSA-N 1 1 355.373 3.156 20 5 FGBDMO C[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C1=CC[N@@H+](C)CC1 ZINC000276037935 497486033 /nfs/dbraw/zinc/48/60/33/497486033.db2.gz XFUKPUBZKXUWJC-CQSZACIVSA-N 1 1 361.445 3.474 20 5 FGBDMO Cc1cc(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2Cl)ccc1[N+](=O)[O-] ZINC000261995016 497488610 /nfs/dbraw/zinc/48/86/10/497488610.db2.gz PJZKAFDTLCAYCI-KRWDZBQOSA-N 1 1 359.813 3.343 20 5 FGBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000245754224 497529835 /nfs/dbraw/zinc/52/98/35/497529835.db2.gz HGEHRYLLZUVCNX-CVEARBPZSA-N 1 1 374.485 3.389 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@H]1c1ccccc1 ZINC000245919623 497571834 /nfs/dbraw/zinc/57/18/34/497571834.db2.gz SJTXKOIAAYYWQB-IAGOWNOFSA-N 1 1 359.813 3.423 20 5 FGBDMO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000272494497 497643595 /nfs/dbraw/zinc/64/35/95/497643595.db2.gz HRHXZHRWYMZBOP-CABCVRRESA-N 1 1 361.442 3.027 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000272494497 497643597 /nfs/dbraw/zinc/64/35/97/497643597.db2.gz HRHXZHRWYMZBOP-CABCVRRESA-N 1 1 361.442 3.027 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCCN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272557143 497661291 /nfs/dbraw/zinc/66/12/91/497661291.db2.gz SIGQDNRMRIXRST-APWZRJJASA-N 1 1 371.485 3.272 20 5 FGBDMO CO[C@@]1(C)CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000280353321 497728141 /nfs/dbraw/zinc/72/81/41/497728141.db2.gz JEEGNHMDENGYSM-SJCJKPOMSA-N 1 1 369.849 3.466 20 5 FGBDMO CO[C@@]1(C)CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000280353321 497728147 /nfs/dbraw/zinc/72/81/47/497728147.db2.gz JEEGNHMDENGYSM-SJCJKPOMSA-N 1 1 369.849 3.466 20 5 FGBDMO CO[C@]1(C)CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000280353326 497728547 /nfs/dbraw/zinc/72/85/47/497728547.db2.gz JEEGNHMDENGYSM-YVEFUNNKSA-N 1 1 369.849 3.466 20 5 FGBDMO CO[C@]1(C)CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000280353326 497728551 /nfs/dbraw/zinc/72/85/51/497728551.db2.gz JEEGNHMDENGYSM-YVEFUNNKSA-N 1 1 369.849 3.466 20 5 FGBDMO COCCN(C)c1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cn1 ZINC000191232837 497750303 /nfs/dbraw/zinc/75/03/03/497750303.db2.gz DKOWZCBROFASGQ-UHFFFAOYSA-N 1 1 370.453 3.237 20 5 FGBDMO COCCN(C)c1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cn1 ZINC000191232837 497750307 /nfs/dbraw/zinc/75/03/07/497750307.db2.gz DKOWZCBROFASGQ-UHFFFAOYSA-N 1 1 370.453 3.237 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000191330884 497783019 /nfs/dbraw/zinc/78/30/19/497783019.db2.gz IKURACMDHYACPE-UHFFFAOYSA-N 1 1 374.466 3.453 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000191330884 497783024 /nfs/dbraw/zinc/78/30/24/497783024.db2.gz IKURACMDHYACPE-UHFFFAOYSA-N 1 1 374.466 3.453 20 5 FGBDMO COc1ccc(OC)c([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1 ZINC000273060573 497793237 /nfs/dbraw/zinc/79/32/37/497793237.db2.gz LJMQSTDVJCLODY-LBPRGKRZSA-N 1 1 374.393 3.329 20 5 FGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)c1 ZINC000364341509 497909151 /nfs/dbraw/zinc/90/91/51/497909151.db2.gz JVSHSSQWVKYPAE-WOJBJXKFSA-N 1 1 354.406 3.150 20 5 FGBDMO CCC[C@]1(CO)CC[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000288948151 497954661 /nfs/dbraw/zinc/95/46/61/497954661.db2.gz XFVKLBRQPYBMDC-ACJLOTCBSA-N 1 1 360.414 3.190 20 5 FGBDMO C[NH+](C)[C@@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)c1cccs1 ZINC000280973132 497971126 /nfs/dbraw/zinc/97/11/26/497971126.db2.gz MGUWTGNLGVXNGT-ZDUSSCGKSA-N 1 1 359.411 3.020 20 5 FGBDMO C[C@@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC[N@H+](C2CCC2)C1 ZINC000292394810 497999809 /nfs/dbraw/zinc/99/98/09/497999809.db2.gz NXMWVUALTIWDBF-ZDUSSCGKSA-N 1 1 356.426 3.023 20 5 FGBDMO Cc1ccn2c(c1)nnc2C1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000364591736 498039825 /nfs/dbraw/zinc/03/98/25/498039825.db2.gz ORDQOOOGWAKFQP-UHFFFAOYSA-N 1 1 369.400 3.465 20 5 FGBDMO Cc1ccnc(N2CCC[N@@H+](CCCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000301292528 498042211 /nfs/dbraw/zinc/04/22/11/498042211.db2.gz OCIUYVIZBGVLRM-UHFFFAOYSA-N 1 1 354.454 3.443 20 5 FGBDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1csc([N+](=O)[O-])c1 ZINC000281262311 498078073 /nfs/dbraw/zinc/07/80/73/498078073.db2.gz VKTJQCROFKVFLZ-ZBFHGGJFSA-N 1 1 357.435 3.413 20 5 FGBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)cc1 ZINC000285643926 498157088 /nfs/dbraw/zinc/15/70/88/498157088.db2.gz RXWFYAVVWQMXJF-OAHLLOKOSA-N 1 1 362.348 3.143 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@H](OC)C[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000281511728 498176448 /nfs/dbraw/zinc/17/64/48/498176448.db2.gz ABKCULLKIDNMDT-ZYHUDNBSSA-N 1 1 360.357 3.204 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@@H](OC)C[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000281511728 498176457 /nfs/dbraw/zinc/17/64/57/498176457.db2.gz ABKCULLKIDNMDT-ZYHUDNBSSA-N 1 1 360.357 3.204 20 5 FGBDMO O=[N+]([O-])c1cnn(CCNc2cc[nH+]c3ccc(Br)cc23)c1 ZINC000301742142 498246884 /nfs/dbraw/zinc/24/68/84/498246884.db2.gz YLKCBCBJLREMAQ-UHFFFAOYSA-N 1 1 362.187 3.214 20 5 FGBDMO O=[N+]([O-])c1cc2c(ncnc2N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000286163603 498311002 /nfs/dbraw/zinc/31/10/02/498311002.db2.gz JPUWWPRNZUCROT-RISCZKNCSA-N 1 1 359.455 3.053 20 5 FGBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000289875031 498332357 /nfs/dbraw/zinc/33/23/57/498332357.db2.gz ZHPJEEVIAPMVCM-LBPRGKRZSA-N 1 1 354.838 3.444 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(Nc2ncc([N+](=O)[O-])cc2C(N)=O)cc1 ZINC000301979316 498354998 /nfs/dbraw/zinc/35/49/98/498354998.db2.gz FRVRWUQNNOBYJA-CYBMUJFWSA-N 1 1 369.425 3.207 20 5 FGBDMO C[C@H]1C[NH+](C(C)(C)CNc2ccc([N+](=O)[O-])cc2OC(F)F)C[C@H](C)O1 ZINC000302072259 498397279 /nfs/dbraw/zinc/39/72/79/498397279.db2.gz ZFGAVTOVRVHTHF-RYUDHWBXSA-N 1 1 373.400 3.496 20 5 FGBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000297310680 498401460 /nfs/dbraw/zinc/40/14/60/498401460.db2.gz ZCAQYTRNASZOCO-LBPRGKRZSA-N 1 1 353.382 3.259 20 5 FGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)c1 ZINC000282157594 498404975 /nfs/dbraw/zinc/40/49/75/498404975.db2.gz TZACIOLMKYCFEW-VQIMIIECSA-N 1 1 370.453 3.041 20 5 FGBDMO C[NH+](C)[C@@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000569862949 506034207 /nfs/dbraw/zinc/03/42/07/506034207.db2.gz LGGKEUWEXDDHQG-QGZVFWFLSA-N 1 1 361.829 3.210 20 5 FGBDMO Cc1nn(C)c(N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC000302202270 498440784 /nfs/dbraw/zinc/44/07/84/498440784.db2.gz ZRNDEQCIEQWEES-KZNAEPCWSA-N 1 1 369.469 3.349 20 5 FGBDMO C[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000302238035 498456152 /nfs/dbraw/zinc/45/61/52/498456152.db2.gz WMIXBFGHWAERQX-KBPBESRZSA-N 1 1 351.769 3.035 20 5 FGBDMO C[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000302238035 498456159 /nfs/dbraw/zinc/45/61/59/498456159.db2.gz WMIXBFGHWAERQX-KBPBESRZSA-N 1 1 351.769 3.035 20 5 FGBDMO O=[N+]([O-])c1cnc(N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC000302240943 498456990 /nfs/dbraw/zinc/45/69/90/498456990.db2.gz XSPHZNBKFOKPGW-BPQIPLTHSA-N 1 1 353.426 3.097 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000362081463 498461978 /nfs/dbraw/zinc/46/19/78/498461978.db2.gz WOKNVNNZMFNXNL-AGUYFDCRSA-N 1 1 363.483 3.452 20 5 FGBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2c(Cl)cccc2N2CCOCC2)cc1 ZINC000293734046 498471595 /nfs/dbraw/zinc/47/15/95/498471595.db2.gz ZOFLUOWZDDRXNG-UHFFFAOYSA-N 1 1 361.829 3.375 20 5 FGBDMO COc1cccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1[N+](=O)[O-] ZINC000302771494 498566708 /nfs/dbraw/zinc/56/67/08/498566708.db2.gz CHXBCBJGXJHHIV-KRWDZBQOSA-N 1 1 371.437 3.306 20 5 FGBDMO COCc1nccc([C@@H]2CCC[N@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000363036183 498614315 /nfs/dbraw/zinc/61/43/15/498614315.db2.gz CYZOQRJXUHCCRE-GDBMZVCRSA-N 1 1 356.426 3.472 20 5 FGBDMO COc1c(C(=O)N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cccc1[N+](=O)[O-] ZINC000332287395 498634723 /nfs/dbraw/zinc/63/47/23/498634723.db2.gz IVGBKFSAEPQXEC-QLFBSQMISA-N 1 1 361.442 3.081 20 5 FGBDMO Cc1ccc([C@@H](C)NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC000298019312 498639202 /nfs/dbraw/zinc/63/92/02/498639202.db2.gz RFYJABDCDOHGPE-BEFAXECRSA-N 1 1 360.458 3.092 20 5 FGBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000303432026 498673623 /nfs/dbraw/zinc/67/36/23/498673623.db2.gz CKRBTWYCXOABMP-OAHLLOKOSA-N 1 1 362.474 3.295 20 5 FGBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@H](C)Cc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000303730308 498709162 /nfs/dbraw/zinc/70/91/62/498709162.db2.gz DPAAPYQMIFCJFF-OAHLLOKOSA-N 1 1 371.437 3.413 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCCO[C@@H]4CCC[C@@H]43)o2)c1 ZINC000363410419 498805968 /nfs/dbraw/zinc/80/59/68/498805968.db2.gz DVYSADWIWJZMLB-DLBZAZTESA-N 1 1 357.410 3.436 20 5 FGBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C[C@H]2[C@H]1c1ccccc1 ZINC000363417694 498810645 /nfs/dbraw/zinc/81/06/45/498810645.db2.gz BCLDSRMGLCCVNE-LSBZLQRGSA-N 1 1 369.396 3.109 20 5 FGBDMO COc1cc(C[NH2+]Cc2ccnc(C(F)(F)F)c2)c([N+](=O)[O-])cc1O ZINC000294985119 498871062 /nfs/dbraw/zinc/87/10/62/498871062.db2.gz GYSMTGKGNQUUDR-UHFFFAOYSA-N 1 1 357.288 3.013 20 5 FGBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000295007427 498877730 /nfs/dbraw/zinc/87/77/30/498877730.db2.gz CLLHHPNSBUUCFL-GFCCVEGCSA-N 1 1 373.375 3.321 20 5 FGBDMO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000295146413 498925368 /nfs/dbraw/zinc/92/53/68/498925368.db2.gz BMJMKZKTWGUBSK-BBRMVZONSA-N 1 1 363.845 3.337 20 5 FGBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000299365094 499037913 /nfs/dbraw/zinc/03/79/13/499037913.db2.gz QYNKOEAMNSKUJE-CQSZACIVSA-N 1 1 371.441 3.113 20 5 FGBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000295573270 499054107 /nfs/dbraw/zinc/05/41/07/499054107.db2.gz WIRIAJWOCCDABP-MNZLEMJZSA-N 1 1 361.486 3.095 20 5 FGBDMO C[N@H+](Cc1ccccc1)C[C@@H](Cn1cnc([N+](=O)[O-])n1)c1ccccc1 ZINC000295795949 499102709 /nfs/dbraw/zinc/10/27/09/499102709.db2.gz RYVXKJZAVAYXOE-SFHVURJKSA-N 1 1 351.410 3.102 20 5 FGBDMO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(F)cc2)no1 ZINC000369902815 499148980 /nfs/dbraw/zinc/14/89/80/499148980.db2.gz QQBPGFHCGTYRKK-ZBEGNZNMSA-N 1 1 372.356 3.168 20 5 FGBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@@H](c4ccccc4)[C@@H](CO)C3)nc2c1 ZINC000367228654 499165163 /nfs/dbraw/zinc/16/51/63/499165163.db2.gz BVFWICCDMGIJDM-WBVHZDCISA-N 1 1 367.405 3.334 20 5 FGBDMO C[N@@H+](C[C@H]1CC12CCN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)CC2)C1CC1 ZINC000367308542 499178185 /nfs/dbraw/zinc/17/81/85/499178185.db2.gz DQCIIWYTIQUZPM-MDGVGCGJSA-N 1 1 369.465 3.331 20 5 FGBDMO CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000367581449 499214718 /nfs/dbraw/zinc/21/47/18/499214718.db2.gz DXDHNYANJZQITK-HNNXBMFYSA-N 1 1 357.414 3.359 20 5 FGBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1 ZINC000367729157 499229074 /nfs/dbraw/zinc/22/90/74/499229074.db2.gz ONCXTYGSOHVXAU-KUHUBIRLSA-N 1 1 371.441 3.026 20 5 FGBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1 ZINC000367729157 499229076 /nfs/dbraw/zinc/22/90/76/499229076.db2.gz ONCXTYGSOHVXAU-KUHUBIRLSA-N 1 1 371.441 3.026 20 5 FGBDMO CC(=O)c1cc(NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000367731707 499229147 /nfs/dbraw/zinc/22/91/47/499229147.db2.gz XRJLHUWVMFCDTC-LIRRHRJNSA-N 1 1 371.441 3.026 20 5 FGBDMO CC(=O)c1cc(NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000367731707 499229149 /nfs/dbraw/zinc/22/91/49/499229149.db2.gz XRJLHUWVMFCDTC-LIRRHRJNSA-N 1 1 371.441 3.026 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000368593582 499311419 /nfs/dbraw/zinc/31/14/19/499311419.db2.gz UAERHHSYJGAGAK-IEBWSBKVSA-N 1 1 360.502 3.065 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000368593582 499311421 /nfs/dbraw/zinc/31/14/21/499311421.db2.gz UAERHHSYJGAGAK-IEBWSBKVSA-N 1 1 360.502 3.065 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@H](Cc4ccncc4)C3)n2)c1 ZINC000368615149 499314089 /nfs/dbraw/zinc/31/40/89/499314089.db2.gz RPNXRBFLQTZMCL-OAHLLOKOSA-N 1 1 365.393 3.104 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@H](C[C@H]4CCOC4)C3)n2)c1 ZINC000371449489 499328094 /nfs/dbraw/zinc/32/80/94/499328094.db2.gz VSXCCNFSFIJTRP-HUUCEWRRSA-N 1 1 372.425 3.283 20 5 FGBDMO C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000371493788 499334210 /nfs/dbraw/zinc/33/42/10/499334210.db2.gz UIDQYUWSDOPKMB-NVXWUHKLSA-N 1 1 353.422 3.235 20 5 FGBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[N@H+]2CCC[C@H]2C1 ZINC000371707366 499357284 /nfs/dbraw/zinc/35/72/84/499357284.db2.gz NYZNZCHRHTYIEQ-ZDUSSCGKSA-N 1 1 369.874 3.037 20 5 FGBDMO CCCN1CC[NH+](C2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC000369157925 499372182 /nfs/dbraw/zinc/37/21/82/499372182.db2.gz VKZGZJBOTYHERJ-UHFFFAOYSA-N 1 1 366.893 3.245 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCN(Cc2noc(C(C)C)n2)CC1 ZINC000371902727 499377020 /nfs/dbraw/zinc/37/70/20/499377020.db2.gz AJBHGVNZDDBKNT-UHFFFAOYSA-N 1 1 373.457 3.118 20 5 FGBDMO C[C@H](NC(=O)N1CCC([N@H+]2CCC[C@@H]2C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000372086684 499397511 /nfs/dbraw/zinc/39/75/11/499397511.db2.gz OGKFGXFZNSCDTA-GJZGRUSLSA-N 1 1 360.458 3.314 20 5 FGBDMO C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000576386277 506145530 /nfs/dbraw/zinc/14/55/30/506145530.db2.gz ISPNCMTZICLFFY-YJBOKZPZSA-N 1 1 371.437 3.150 20 5 FGBDMO C[N@H+]1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccs1 ZINC000369539342 499414631 /nfs/dbraw/zinc/41/46/31/499414631.db2.gz IAJKELAVCVECIQ-BLLLJJGKSA-N 1 1 360.439 3.471 20 5 FGBDMO C[N@H+]1CC[C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H]1c1cccs1 ZINC000369542295 499415059 /nfs/dbraw/zinc/41/50/59/499415059.db2.gz ZUAKHZRFZPVIGY-MLGOLLRUSA-N 1 1 360.439 3.471 20 5 FGBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3cc(F)cc4cccnc43)C2)c1 ZINC000372279777 499415904 /nfs/dbraw/zinc/41/59/04/499415904.db2.gz AXDFSGWOBATKRE-INIZCTEOSA-N 1 1 355.373 3.316 20 5 FGBDMO Cc1ccnc([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000570341230 506145883 /nfs/dbraw/zinc/14/58/83/506145883.db2.gz DQAKELJEPJJWNP-HUUCEWRRSA-N 1 1 354.410 3.115 20 5 FGBDMO Cc1ccnc([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000570341230 506145885 /nfs/dbraw/zinc/14/58/85/506145885.db2.gz DQAKELJEPJJWNP-HUUCEWRRSA-N 1 1 354.410 3.115 20 5 FGBDMO C[N@H+]1CCC[C@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000369668614 499434351 /nfs/dbraw/zinc/43/43/51/499434351.db2.gz YFBLRGSNSPRJPH-BEFAXECRSA-N 1 1 373.478 3.398 20 5 FGBDMO Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373246296 499459621 /nfs/dbraw/zinc/45/96/21/499459621.db2.gz ODGSWZXWEUOHAH-OAHLLOKOSA-N 1 1 371.441 3.072 20 5 FGBDMO O=C1C[C@H]([C@H]2CCCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)CN1 ZINC000378321496 499501428 /nfs/dbraw/zinc/50/14/28/499501428.db2.gz TYDAYJSADYNRHR-SWLSCSKDSA-N 1 1 371.359 3.104 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000378507675 499525629 /nfs/dbraw/zinc/52/56/29/499525629.db2.gz MFJHSBAYSFPDMN-URLQWDBASA-N 1 1 358.442 3.286 20 5 FGBDMO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000381029012 499544494 /nfs/dbraw/zinc/54/44/94/499544494.db2.gz WMDSQXIPQAFWQX-ROUUACIJSA-N 1 1 369.469 3.078 20 5 FGBDMO Cc1cc(C)nc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)n1 ZINC000375700610 499547250 /nfs/dbraw/zinc/54/72/50/499547250.db2.gz HJBAXKPGUIQPBR-UHFFFAOYSA-N 1 1 371.397 3.289 20 5 FGBDMO CC(C)[C@@]1(CO)CC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000377668969 499717485 /nfs/dbraw/zinc/71/74/85/499717485.db2.gz GKXWGUQFIWTZBH-HNNXBMFYSA-N 1 1 357.248 3.198 20 5 FGBDMO CC(C)[C@@]1(CO)CC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000377668969 499717487 /nfs/dbraw/zinc/71/74/87/499717487.db2.gz GKXWGUQFIWTZBH-HNNXBMFYSA-N 1 1 357.248 3.198 20 5 FGBDMO C[C@H](CCO)[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000411449934 499741763 /nfs/dbraw/zinc/74/17/63/499741763.db2.gz SVTZFBAIHKFYAB-MRXNPFEDSA-N 1 1 371.437 3.197 20 5 FGBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@H](C)[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000411510444 499749373 /nfs/dbraw/zinc/74/93/73/499749373.db2.gz YOJVTLYMSRIVQH-JLJPHGGASA-N 1 1 361.442 3.443 20 5 FGBDMO C[C@@H](NC1CC[NH+](CCc2ccncc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000377964173 499751593 /nfs/dbraw/zinc/75/15/93/499751593.db2.gz VAJMOFYZILAMIP-MRXNPFEDSA-N 1 1 354.454 3.348 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+]3CCC[C@@H](CO)[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000414560105 499808970 /nfs/dbraw/zinc/80/89/70/499808970.db2.gz AGDPAWMNOWFUBL-KGLIPLIRSA-N 1 1 360.410 3.456 20 5 FGBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)C1 ZINC000412185877 499831966 /nfs/dbraw/zinc/83/19/66/499831966.db2.gz QZOBBRCOSKLHCX-OAHLLOKOSA-N 1 1 363.458 3.090 20 5 FGBDMO Cc1cc(C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000412700805 499877527 /nfs/dbraw/zinc/87/75/27/499877527.db2.gz RJCXIXHLBCSJIO-INIZCTEOSA-N 1 1 353.422 3.250 20 5 FGBDMO Cc1cc(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000412700805 499877529 /nfs/dbraw/zinc/87/75/29/499877529.db2.gz RJCXIXHLBCSJIO-INIZCTEOSA-N 1 1 353.422 3.250 20 5 FGBDMO C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000412704571 499878189 /nfs/dbraw/zinc/87/81/89/499878189.db2.gz ZSOOJMXXVNWIHA-CQSZACIVSA-N 1 1 357.385 3.080 20 5 FGBDMO C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000412704571 499878190 /nfs/dbraw/zinc/87/81/90/499878190.db2.gz ZSOOJMXXVNWIHA-CQSZACIVSA-N 1 1 357.385 3.080 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)o1 ZINC000573297588 506164533 /nfs/dbraw/zinc/16/45/33/506164533.db2.gz ANDDZZXKJSVQAT-CYBMUJFWSA-N 1 1 355.354 3.012 20 5 FGBDMO CC[C@@H](Nc1ncc([N+](=O)[O-])cc1F)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000413206881 499926799 /nfs/dbraw/zinc/92/67/99/499926799.db2.gz ZFINLNFWQUXABL-QZTJIDSGSA-N 1 1 374.416 3.220 20 5 FGBDMO CC[C@@H](Nc1ncc([N+](=O)[O-])cc1F)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000413206881 499926801 /nfs/dbraw/zinc/92/68/01/499926801.db2.gz ZFINLNFWQUXABL-QZTJIDSGSA-N 1 1 374.416 3.220 20 5 FGBDMO O=[N+]([O-])c1cnc(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(F)c1 ZINC000413310450 499940213 /nfs/dbraw/zinc/94/02/13/499940213.db2.gz NHIFZPOKVAOCEE-JKSUJKDBSA-N 1 1 356.401 3.087 20 5 FGBDMO CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000573307373 506167676 /nfs/dbraw/zinc/16/76/76/506167676.db2.gz MNXHVRPVGCCMTR-PBHICJAKSA-N 1 1 356.426 3.148 20 5 FGBDMO CCc1nn(C)c(OC)c1C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417315635 500038398 /nfs/dbraw/zinc/03/83/98/500038398.db2.gz SPEGHZPOVQJVPL-SFHVURJKSA-N 1 1 358.442 3.457 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C(C)(C)c1ccccc1F ZINC000429271606 500038772 /nfs/dbraw/zinc/03/87/72/500038772.db2.gz IAVPHZIHMSGUIY-UHFFFAOYSA-N 1 1 361.373 3.206 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCC[C@H](n4ccnn4)C3)o2)c1 ZINC000425345388 500080207 /nfs/dbraw/zinc/08/02/07/500080207.db2.gz DUUGECFLVMUJQI-INIZCTEOSA-N 1 1 353.382 3.283 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1CN1CCC(c2[nH]cc[nH+]2)CC1 ZINC000425412543 500096954 /nfs/dbraw/zinc/09/69/54/500096954.db2.gz BQOXHGHUKBXYFY-UHFFFAOYSA-N 1 1 365.231 3.460 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000425420192 500099902 /nfs/dbraw/zinc/09/99/02/500099902.db2.gz KNYWYDZPKAAFGW-JSGCOSHPSA-N 1 1 355.232 3.358 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000425420192 500099904 /nfs/dbraw/zinc/09/99/04/500099904.db2.gz KNYWYDZPKAAFGW-JSGCOSHPSA-N 1 1 355.232 3.358 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000413951540 500105435 /nfs/dbraw/zinc/10/54/35/500105435.db2.gz HDSUTADNAZQYKA-INIZCTEOSA-N 1 1 353.422 3.250 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000413951540 500105440 /nfs/dbraw/zinc/10/54/40/500105440.db2.gz HDSUTADNAZQYKA-INIZCTEOSA-N 1 1 353.422 3.250 20 5 FGBDMO COc1ccc(C[N@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000430297747 500223217 /nfs/dbraw/zinc/22/32/17/500223217.db2.gz GAQQGFPQIUULGX-INIZCTEOSA-N 1 1 369.421 3.088 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000430309526 500225081 /nfs/dbraw/zinc/22/50/81/500225081.db2.gz WMHFJSFLJNGUJE-INIZCTEOSA-N 1 1 369.421 3.088 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)cc1OC ZINC000426152719 500241488 /nfs/dbraw/zinc/24/14/88/500241488.db2.gz HPZPFGBLHYXTJB-ZQIUZPCESA-N 1 1 366.458 3.231 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@H](O)[C@@H](C)C2)cc1OC ZINC000426152719 500241492 /nfs/dbraw/zinc/24/14/92/500241492.db2.gz HPZPFGBLHYXTJB-ZQIUZPCESA-N 1 1 366.458 3.231 20 5 FGBDMO CCc1cc(N2CC[N@H+](C)C[C@H]2CC)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000573508336 506205795 /nfs/dbraw/zinc/20/57/95/506205795.db2.gz LXBLCVQPKRTYQE-MRXNPFEDSA-N 1 1 355.442 3.145 20 5 FGBDMO CCc1ccc([C@@H]2CC[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)cc1 ZINC000433052928 500614478 /nfs/dbraw/zinc/61/44/78/500614478.db2.gz NIKCHBAMCMDGIL-QGZVFWFLSA-N 1 1 353.422 3.246 20 5 FGBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000433058217 500616116 /nfs/dbraw/zinc/61/61/16/500616116.db2.gz KAWNEOKFMBEWIJ-MRXNPFEDSA-N 1 1 369.421 3.422 20 5 FGBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000433058217 500616119 /nfs/dbraw/zinc/61/61/19/500616119.db2.gz KAWNEOKFMBEWIJ-MRXNPFEDSA-N 1 1 369.421 3.422 20 5 FGBDMO CN(CC[N@@H+](C)C1CC1)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000447679743 500644393 /nfs/dbraw/zinc/64/43/93/500644393.db2.gz LNXLNEZHKAZTKL-UHFFFAOYSA-N 1 1 368.306 3.174 20 5 FGBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000447804710 500665968 /nfs/dbraw/zinc/66/59/68/500665968.db2.gz FSEFIQAFGWMMOS-GHMZBOCLSA-N 1 1 353.806 3.074 20 5 FGBDMO C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@H+]1CC(C)(C)O ZINC000438329920 500770933 /nfs/dbraw/zinc/77/09/33/500770933.db2.gz HUOBEAQXSZQVBS-OAHLLOKOSA-N 1 1 373.453 3.132 20 5 FGBDMO CC(C)c1n[nH]c(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000433979018 500775237 /nfs/dbraw/zinc/77/52/37/500775237.db2.gz AFXWEMGTHZWFHC-ZFWWWQNUSA-N 1 1 371.441 3.007 20 5 FGBDMO CC(C)c1n[nH]c(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000433979015 500775342 /nfs/dbraw/zinc/77/53/42/500775342.db2.gz AFXWEMGTHZWFHC-DZGCQCFKSA-N 1 1 371.441 3.007 20 5 FGBDMO CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000444658949 500874163 /nfs/dbraw/zinc/87/41/63/500874163.db2.gz CIQRURDCHFDXPN-KRWDZBQOSA-N 1 1 365.437 3.177 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@@H](COc4ccccc4)C3)nc2c1 ZINC000444668155 500876145 /nfs/dbraw/zinc/87/61/45/500876145.db2.gz BVBWZYSVQQWGQP-CQSZACIVSA-N 1 1 352.394 3.372 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@@H](COc4ccccc4)C3)nc2c1 ZINC000444668155 500876148 /nfs/dbraw/zinc/87/61/48/500876148.db2.gz BVBWZYSVQQWGQP-CQSZACIVSA-N 1 1 352.394 3.372 20 5 FGBDMO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000444682370 500877477 /nfs/dbraw/zinc/87/74/77/500877477.db2.gz ZWBJYBNUTGAQBN-NSHDSACASA-N 1 1 353.382 3.280 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCSC(C)(C)CC2)cccc1[N+](=O)[O-] ZINC000434712743 500883486 /nfs/dbraw/zinc/88/34/86/500883486.db2.gz WRPCIAWIGCLCER-ZDUSSCGKSA-N 1 1 351.472 3.448 20 5 FGBDMO C[C@H](C[N@H+](C)Cc1ccccc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000449012221 500896958 /nfs/dbraw/zinc/89/69/58/500896958.db2.gz ZTHWDIXUBKGDTM-CQSZACIVSA-N 1 1 362.451 3.234 20 5 FGBDMO C[C@H](C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000449012221 500896960 /nfs/dbraw/zinc/89/69/60/500896960.db2.gz ZTHWDIXUBKGDTM-CQSZACIVSA-N 1 1 362.451 3.234 20 5 FGBDMO CC(C)(C)CC(C)(C)[NH+]1CCC(NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000449194840 500945017 /nfs/dbraw/zinc/94/50/17/500945017.db2.gz PPMCDEAWIPUXHA-UHFFFAOYSA-N 1 1 351.495 3.060 20 5 FGBDMO COc1ccc(-c2ccc(CN(C)[C@@H]3CCC[NH2+]CC3)o2)c([N+](=O)[O-])c1 ZINC000435445457 500979758 /nfs/dbraw/zinc/97/97/58/500979758.db2.gz FLZWNFWACGCUIQ-CQSZACIVSA-N 1 1 359.426 3.437 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]CCCC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000449354475 500985249 /nfs/dbraw/zinc/98/52/49/500985249.db2.gz NUOCAFDLZUOWTQ-GOSISDBHSA-N 1 1 358.442 3.214 20 5 FGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000449418149 500999751 /nfs/dbraw/zinc/99/97/51/500999751.db2.gz BMUCSNJDIQGOMW-FXOUOLKJSA-N 1 1 356.397 3.408 20 5 FGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000449418149 500999754 /nfs/dbraw/zinc/99/97/54/500999754.db2.gz BMUCSNJDIQGOMW-FXOUOLKJSA-N 1 1 356.397 3.408 20 5 FGBDMO COc1cc(CNC[C@@H]2CCC[N@H+]2C2CCCCC2)c([N+](=O)[O-])cc1O ZINC000435744588 501021725 /nfs/dbraw/zinc/02/17/25/501021725.db2.gz XSHFXIPJOBMICX-INIZCTEOSA-N 1 1 363.458 3.196 20 5 FGBDMO C[N@H+]1CCN(CCNc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1(C)C ZINC000440680759 501038061 /nfs/dbraw/zinc/03/80/61/501038061.db2.gz SGPVTYTVVZMPIT-UHFFFAOYSA-N 1 1 364.490 3.210 20 5 FGBDMO CN1CC[N@H+](CCNc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1(C)C ZINC000440680759 501038065 /nfs/dbraw/zinc/03/80/65/501038065.db2.gz SGPVTYTVVZMPIT-UHFFFAOYSA-N 1 1 364.490 3.210 20 5 FGBDMO CN1CC[N@@H+](CCNc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1(C)C ZINC000440680759 501038069 /nfs/dbraw/zinc/03/80/69/501038069.db2.gz SGPVTYTVVZMPIT-UHFFFAOYSA-N 1 1 364.490 3.210 20 5 FGBDMO COc1cc(C[NH2+][C@]2(CO)CCCc3ccccc32)c([N+](=O)[O-])cc1F ZINC000440817047 501052432 /nfs/dbraw/zinc/05/24/32/501052432.db2.gz FEJVQQIAYSVILL-IBGZPJMESA-N 1 1 360.385 3.056 20 5 FGBDMO C[C@H]1OCC[C@H]1[N@@H+](CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000449682553 501061330 /nfs/dbraw/zinc/06/13/30/501061330.db2.gz XPJIWYROZOJSQN-CXAGYDPISA-N 1 1 362.451 3.295 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@]3(CCOC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000449684040 501062277 /nfs/dbraw/zinc/06/22/77/501062277.db2.gz KKWIYZCXJSFDIM-KRWDZBQOSA-N 1 1 372.368 3.207 20 5 FGBDMO COC[C@@]1(CO)CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000449697322 501063913 /nfs/dbraw/zinc/06/39/13/501063913.db2.gz LTAJSLPOEINZPB-SFHVURJKSA-N 1 1 362.451 3.154 20 5 FGBDMO CCOC(=O)[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)Cc2ccccc21 ZINC000441102611 501088318 /nfs/dbraw/zinc/08/83/18/501088318.db2.gz NBECMWZPOGKKPA-IBGZPJMESA-N 1 1 354.406 3.300 20 5 FGBDMO CC(C)c1ncc2c(n1)CC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000598935459 506233610 /nfs/dbraw/zinc/23/36/10/506233610.db2.gz HUGHEFRJYZMUEL-UHFFFAOYSA-N 1 1 356.426 3.335 20 5 FGBDMO CC(C)c1ncc2c(n1)CC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000598935459 506233615 /nfs/dbraw/zinc/23/36/15/506233615.db2.gz HUGHEFRJYZMUEL-UHFFFAOYSA-N 1 1 356.426 3.335 20 5 FGBDMO Cn1cc[nH+]c1C[C@H]1CCCN(c2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000450395471 501110372 /nfs/dbraw/zinc/11/03/72/501110372.db2.gz TWZQCOFCJXSLJH-CQSZACIVSA-N 1 1 351.410 3.336 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1Cl ZINC000450567269 501155968 /nfs/dbraw/zinc/15/59/68/501155968.db2.gz LSLZVPBCOXLKJT-ZDUSSCGKSA-N 1 1 362.817 3.338 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1Cl ZINC000450567269 501155972 /nfs/dbraw/zinc/15/59/72/501155972.db2.gz LSLZVPBCOXLKJT-ZDUSSCGKSA-N 1 1 362.817 3.338 20 5 FGBDMO Cc1[nH+]ccn1CCCN(C)c1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000446872797 501176298 /nfs/dbraw/zinc/17/62/98/501176298.db2.gz VBLUTPMFSQWZJK-UHFFFAOYSA-N 1 1 366.425 3.392 20 5 FGBDMO CCOCC[N@H+]1CCN(c2nccc3c2cccc3[N+](=O)[O-])C[C@H]1CC ZINC000450310140 501230997 /nfs/dbraw/zinc/23/09/97/501230997.db2.gz CIUZDPAPYBTDPP-OAHLLOKOSA-N 1 1 358.442 3.080 20 5 FGBDMO C[C@@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[N@H+](C2CC2)C1 ZINC000451097057 501245342 /nfs/dbraw/zinc/24/53/42/501245342.db2.gz YQHVOETZRXYYQF-OAHLLOKOSA-N 1 1 370.453 3.208 20 5 FGBDMO C[C@H]1CN(C2CC2)CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000451097057 501245343 /nfs/dbraw/zinc/24/53/43/501245343.db2.gz YQHVOETZRXYYQF-OAHLLOKOSA-N 1 1 370.453 3.208 20 5 FGBDMO C[C@H]1CN(C2CC2)CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000451097057 501245344 /nfs/dbraw/zinc/24/53/44/501245344.db2.gz YQHVOETZRXYYQF-OAHLLOKOSA-N 1 1 370.453 3.208 20 5 FGBDMO COC(=O)c1c(Cl)c(N[C@@H]2CC[N@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000596076323 506243758 /nfs/dbraw/zinc/24/37/58/506243758.db2.gz PDNSFPWRRZMNJS-ZYHUDNBSSA-N 1 1 353.806 3.074 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3[C@H]3CCC[C@@H]3O)co2)cc1 ZINC000451421244 501288941 /nfs/dbraw/zinc/28/89/41/501288941.db2.gz OCIMCIVGMOVEAX-KURKYZTESA-N 1 1 357.410 3.375 20 5 FGBDMO Cn1c(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)nnc1C1CCC1 ZINC000451543473 501318387 /nfs/dbraw/zinc/31/83/87/501318387.db2.gz BXFUMAWFWYTRLC-MRXNPFEDSA-N 1 1 355.442 3.370 20 5 FGBDMO Cn1c(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)nnc1C1CCC1 ZINC000451543473 501318390 /nfs/dbraw/zinc/31/83/90/501318390.db2.gz BXFUMAWFWYTRLC-MRXNPFEDSA-N 1 1 355.442 3.370 20 5 FGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](C[C@@H](O)COc3ccccc3)C2)cc1 ZINC000451557838 501324275 /nfs/dbraw/zinc/32/42/75/501324275.db2.gz FKXRPMGOEZOVCE-IEBWSBKVSA-N 1 1 356.422 3.214 20 5 FGBDMO CO[C@@H]1C[C@@H]([N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C12CCC2 ZINC000451841103 501384386 /nfs/dbraw/zinc/38/43/86/501384386.db2.gz SXXPAUBJWSRLOB-HUUCEWRRSA-N 1 1 358.398 3.034 20 5 FGBDMO CO[C@@H]1C[C@@H]([N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C12CCC2 ZINC000451841103 501384388 /nfs/dbraw/zinc/38/43/88/501384388.db2.gz SXXPAUBJWSRLOB-HUUCEWRRSA-N 1 1 358.398 3.034 20 5 FGBDMO COC[C@@H]1CCC[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000452110729 501437512 /nfs/dbraw/zinc/43/75/12/501437512.db2.gz ZNJCNXDFTXQVDZ-UONOGXRCSA-N 1 1 360.414 3.454 20 5 FGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000602679778 506259256 /nfs/dbraw/zinc/25/92/56/506259256.db2.gz JDKRHSIVMIUGFE-JOYOIKCWSA-N 1 1 372.265 3.359 20 5 FGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000602679778 506259261 /nfs/dbraw/zinc/25/92/61/506259261.db2.gz JDKRHSIVMIUGFE-JOYOIKCWSA-N 1 1 372.265 3.359 20 5 FGBDMO CC[C@@H](C)[NH+]1CCN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC1 ZINC000456539671 501544866 /nfs/dbraw/zinc/54/48/66/501544866.db2.gz YOAAANFHWBDJFE-OAHLLOKOSA-N 1 1 368.437 3.213 20 5 FGBDMO C[N@H+]1CCC[C@H](CCNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000459249408 501619187 /nfs/dbraw/zinc/61/91/87/501619187.db2.gz FDWQVRPXDDPKHW-LLVKDONJSA-N 1 1 372.372 3.050 20 5 FGBDMO 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/nfs/dbraw/zinc/30/92/36/506309236.db2.gz KINZYKQDAAZIOW-VIFPVBQESA-N 1 1 363.365 3.316 20 5 FGBDMO Cc1cc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000462163474 502329738 /nfs/dbraw/zinc/32/97/38/502329738.db2.gz KGVZGCBMBHGADL-KXBFYZLASA-N 1 1 353.422 3.154 20 5 FGBDMO Cc1cc(N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])s1 ZINC000596208914 506311094 /nfs/dbraw/zinc/31/10/94/506311094.db2.gz KQFXUZCIKWLPSE-GOSISDBHSA-N 1 1 361.467 3.038 20 5 FGBDMO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000466215448 502506545 /nfs/dbraw/zinc/50/65/45/502506545.db2.gz DUNNKHOXKGJIFR-ZDUSSCGKSA-N 1 1 366.849 3.064 20 5 FGBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000462618653 502510007 /nfs/dbraw/zinc/51/00/07/502510007.db2.gz QJPPJHXXGYWCRL-OAHLLOKOSA-N 1 1 362.474 3.389 20 5 FGBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000462639846 502516865 /nfs/dbraw/zinc/51/68/65/502516865.db2.gz 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/nfs/dbraw/zinc/50/76/63/505507663.db2.gz HYTAUMPDVXCXHL-UYZDIKGJSA-N 1 1 353.426 3.483 20 5 FGBDMO CC[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612077607 506424115 /nfs/dbraw/zinc/42/41/15/506424115.db2.gz ANZWDXZIJONKDD-SJLPKXTDSA-N 1 1 356.422 3.344 20 5 FGBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000593225186 506480000 /nfs/dbraw/zinc/48/00/00/506480000.db2.gz CQGGDBFCHYZFCG-BZUAXINKSA-N 1 1 370.453 3.057 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@H](C[C@@H]3CCOC3)C1)OCCO2 ZINC000589200134 506481931 /nfs/dbraw/zinc/48/19/31/506481931.db2.gz SJOXPOHXFNKQTG-CABCVRRESA-N 1 1 362.426 3.005 20 5 FGBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCCN4c5ccccc5C[C@@H]4C3)nc2c1 ZINC000589279333 506505869 /nfs/dbraw/zinc/50/58/69/506505869.db2.gz MTEMRVPPJUSFKU-MRXNPFEDSA-N 1 1 364.405 3.373 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000596656340 506514453 /nfs/dbraw/zinc/51/44/53/506514453.db2.gz BKBIKQGKMSNGGD-KRWDZBQOSA-N 1 1 360.458 3.142 20 5 FGBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000603458523 506519661 /nfs/dbraw/zinc/51/96/61/506519661.db2.gz OGSYXLHIEFCHBV-WBVHZDCISA-N 1 1 374.485 3.045 20 5 FGBDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1(C)C ZINC000589502216 506569518 /nfs/dbraw/zinc/56/95/18/506569518.db2.gz OYVYQSWZTFLVCN-HOTGVXAUSA-N 1 1 350.415 3.017 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@@H](C)Cc2ccc(O)cc2)c1 ZINC000589498471 506571155 /nfs/dbraw/zinc/57/11/55/506571155.db2.gz ZAPLTLXFFMTQIW-ZDUSSCGKSA-N 1 1 358.394 3.150 20 5 FGBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599702198 506590820 /nfs/dbraw/zinc/59/08/20/506590820.db2.gz NUFKBYKVCYYMEN-ZDUSSCGKSA-N 1 1 352.822 3.387 20 5 FGBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593406577 506604365 /nfs/dbraw/zinc/60/43/65/506604365.db2.gz JYUSBQJDXGAYPK-UHFFFAOYSA-N 1 1 373.428 3.433 20 5 FGBDMO C[C@H](c1cccnc1)[NH+]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593461110 506633016 /nfs/dbraw/zinc/63/30/16/506633016.db2.gz HTPVXSPCQRJVDG-OAHLLOKOSA-N 1 1 363.421 3.421 20 5 FGBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000603864861 506640450 /nfs/dbraw/zinc/64/04/50/506640450.db2.gz KAODQJJWGSIPGM-CALCHBBNSA-N 1 1 353.422 3.042 20 5 FGBDMO COc1cccc(C[C@@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000603909259 506654807 /nfs/dbraw/zinc/65/48/07/506654807.db2.gz PAOARJVVAQCXBM-INIZCTEOSA-N 1 1 369.421 3.249 20 5 FGBDMO COc1cccc(C[C@@H]2CCC[N@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000603909259 506654819 /nfs/dbraw/zinc/65/48/19/506654819.db2.gz PAOARJVVAQCXBM-INIZCTEOSA-N 1 1 369.421 3.249 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C[C@H]1C ZINC000597101657 506775576 /nfs/dbraw/zinc/77/55/76/506775576.db2.gz KUBDSVQEEAHDGT-PWSUYJOCSA-N 1 1 369.853 3.167 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)c2c(c1)COCO2 ZINC000609234397 506821341 /nfs/dbraw/zinc/82/13/41/506821341.db2.gz RDISHBGASFZWPW-LJQANCHMSA-N 1 1 370.405 3.425 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)c2c(c1)COCO2 ZINC000609234397 506821344 /nfs/dbraw/zinc/82/13/44/506821344.db2.gz RDISHBGASFZWPW-LJQANCHMSA-N 1 1 370.405 3.425 20 5 FGBDMO Cn1cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600188903 506832881 /nfs/dbraw/zinc/83/28/81/506832881.db2.gz HYWJWEYPYNTXHS-SJORKVTESA-N 1 1 358.467 3.465 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@H]4CC[C@@H](C3)[S@]4=O)o2)cc1 ZINC000600208914 506847335 /nfs/dbraw/zinc/84/73/35/506847335.db2.gz RJRJBFIWNGUFPY-YPBQGGFRSA-N 1 1 360.435 3.340 20 5 FGBDMO O=C1CCCN1C[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000597228795 506847776 /nfs/dbraw/zinc/84/77/76/506847776.db2.gz OTCGFXLVMFVAMB-HNNXBMFYSA-N 1 1 369.421 3.299 20 5 FGBDMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000604495930 506851414 /nfs/dbraw/zinc/85/14/14/506851414.db2.gz VLXUYULHXNJQOH-UHFFFAOYSA-N 1 1 351.366 3.411 20 5 FGBDMO CSc1ccc(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000600229416 506862363 /nfs/dbraw/zinc/86/23/63/506862363.db2.gz RXGCMMGBFCRZID-HNNXBMFYSA-N 1 1 363.483 3.454 20 5 FGBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000600230417 506862384 /nfs/dbraw/zinc/86/23/84/506862384.db2.gz SKKGJIOSFNGOKJ-CQSZACIVSA-N 1 1 356.426 3.213 20 5 FGBDMO CC[NH+]1C[C@H](C)N(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000583588403 506863634 /nfs/dbraw/zinc/86/36/34/506863634.db2.gz BMNRQQYDEIFLIP-IHRRRGAJSA-N 1 1 351.472 3.017 20 5 FGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCc2nnc(N3CCCC3)cc2C1 ZINC000597266596 506870516 /nfs/dbraw/zinc/87/05/16/506870516.db2.gz WWYVVIWXXSVILL-ALCCZGGFSA-N 1 1 365.437 3.057 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cc4cc(Cl)cnc4o3)C2)nc1 ZINC000590639587 506893709 /nfs/dbraw/zinc/89/37/09/506893709.db2.gz ZKZJSGADDLPBGF-ZDUSSCGKSA-N 1 1 373.800 3.471 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@H](O)[C@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000590661396 506898258 /nfs/dbraw/zinc/89/82/58/506898258.db2.gz BVKFSSJSRKLWOX-RDTXWAMCSA-N 1 1 372.421 3.138 20 5 FGBDMO C[N@H+]1CCCC[C@H](CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000600316300 506900801 /nfs/dbraw/zinc/90/08/01/506900801.db2.gz ZGGSVQHVYAXMIE-LLVKDONJSA-N 1 1 359.348 3.075 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000609553344 506919253 /nfs/dbraw/zinc/91/92/53/506919253.db2.gz PGZDGYLKICYUGB-AWEZNQCLSA-N 1 1 372.425 3.245 20 5 FGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3nc(-c4ccccn4)no3)C2)cc1 ZINC000590757304 506940873 /nfs/dbraw/zinc/94/08/73/506940873.db2.gz BCDWIDLUTCPWPT-OAHLLOKOSA-N 1 1 365.393 3.419 20 5 FGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3nc(-c4ccccn4)no3)C2)cc1 ZINC000590757304 506940876 /nfs/dbraw/zinc/94/08/76/506940876.db2.gz BCDWIDLUTCPWPT-OAHLLOKOSA-N 1 1 365.393 3.419 20 5 FGBDMO C[C@@H](c1ccsc1)[NH+]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000613185735 506958067 /nfs/dbraw/zinc/95/80/67/506958067.db2.gz FEJUNKRCIJZSLO-ZDUSSCGKSA-N 1 1 369.450 3.483 20 5 FGBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590802338 506966519 /nfs/dbraw/zinc/96/65/19/506966519.db2.gz GOIZLDVOBHSYSA-BHIYHBOVSA-N 1 1 372.469 3.111 20 5 FGBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590802339 506966906 /nfs/dbraw/zinc/96/69/06/506966906.db2.gz GOIZLDVOBHSYSA-QRQLOZEOSA-N 1 1 372.469 3.111 20 5 FGBDMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000609854237 507024994 /nfs/dbraw/zinc/02/49/94/507024994.db2.gz SZTQTQNEUOJSCP-INIZCTEOSA-N 1 1 359.813 3.253 20 5 FGBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000597605510 507027913 /nfs/dbraw/zinc/02/79/13/507027913.db2.gz PYGRIPDCZLKNQN-MRXNPFEDSA-N 1 1 368.437 3.213 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)c1 ZINC000609916493 507047939 /nfs/dbraw/zinc/04/79/39/507047939.db2.gz UMLDKHSQPHQJCW-APWZRJJASA-N 1 1 374.412 3.038 20 5 FGBDMO CC1CCN(c2ccc(C(=O)N[C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2[N+](=O)[O-])CC1 ZINC000610208515 507139724 /nfs/dbraw/zinc/13/97/24/507139724.db2.gz BELSAVGZTZRSMB-NVXWUHKLSA-N 1 1 374.485 3.044 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+][C@H]1C[C@H](OC(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000594517719 507166619 /nfs/dbraw/zinc/16/66/19/507166619.db2.gz COBSAGJWBUBEDT-DJIMGWMZSA-N 1 1 358.442 3.353 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+][C@H]1C[C@H](OC(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000594517721 507166751 /nfs/dbraw/zinc/16/67/51/507166751.db2.gz COBSAGJWBUBEDT-XIRDDKMYSA-N 1 1 358.442 3.353 20 5 FGBDMO Cc1[nH+]cn(CCCCc2noc(-c3n[nH]c(C(C)C)c3[N+](=O)[O-])n2)c1C ZINC000594535028 507174460 /nfs/dbraw/zinc/17/44/60/507174460.db2.gz RAHVOKDSIMOWQM-UHFFFAOYSA-N 1 1 373.417 3.328 20 5 FGBDMO C[NH+](C)[C@@H](CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)c1ccco1 ZINC000600941361 507200096 /nfs/dbraw/zinc/20/00/96/507200096.db2.gz ATYAZQNSMHXIGT-INIZCTEOSA-N 1 1 357.410 3.029 20 5 FGBDMO CC(C)(CNC(=O)c1c(F)cccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000600991894 507219010 /nfs/dbraw/zinc/21/90/10/507219010.db2.gz PQRYVNPZWVYGJQ-UHFFFAOYSA-N 1 1 371.412 3.301 20 5 FGBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601011562 507227756 /nfs/dbraw/zinc/22/77/56/507227756.db2.gz VRDLCHQJRKHXMS-DZGCQCFKSA-N 1 1 357.385 3.299 20 5 FGBDMO CCN1CC[NH+](Cc2ccc(CNc3ccsc3[N+](=O)[O-])cc2)CC1 ZINC000610514950 507273560 /nfs/dbraw/zinc/27/35/60/507273560.db2.gz SQSXAXALQSOLEP-UHFFFAOYSA-N 1 1 360.483 3.406 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@H]3CCO[C@H](c4ccncc4)C3)c2c1 ZINC000601170500 507285912 /nfs/dbraw/zinc/28/59/12/507285912.db2.gz CBIGCNNWUGBDKW-LIRRHRJNSA-N 1 1 350.378 3.292 20 5 FGBDMO C[S@](=O)c1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000610574889 507296151 /nfs/dbraw/zinc/29/61/51/507296151.db2.gz NUFVIKCFEMCEOE-VWLOTQADSA-N 1 1 370.377 3.223 20 5 FGBDMO COC[C@H](C)Oc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000594918471 507313363 /nfs/dbraw/zinc/31/33/63/507313363.db2.gz ABDUUMLCSATTMT-AWEZNQCLSA-N 1 1 360.410 3.307 20 5 FGBDMO CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000598220554 507324922 /nfs/dbraw/zinc/32/49/22/507324922.db2.gz QPAPJNUYOAVVRE-OAHLLOKOSA-N 1 1 361.442 3.130 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000595009053 507352588 /nfs/dbraw/zinc/35/25/88/507352588.db2.gz YHRBBJLKYXEGPG-CQSZACIVSA-N 1 1 356.426 3.449 20 5 FGBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000610712098 507359481 /nfs/dbraw/zinc/35/94/81/507359481.db2.gz QBNQKHMOIHJVML-HNNXBMFYSA-N 1 1 371.412 3.471 20 5 FGBDMO COC(=O)c1cc(NCC[NH+]2Cc3ccccc3C2)cc(C)c1[N+](=O)[O-] ZINC000610769833 507383429 /nfs/dbraw/zinc/38/34/29/507383429.db2.gz XSTBDDHWZOCFSY-UHFFFAOYSA-N 1 1 355.394 3.118 20 5 FGBDMO O=[N+]([O-])c1cnccc1N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000610807980 507398486 /nfs/dbraw/zinc/39/84/86/507398486.db2.gz CUBQVZZIODSPPM-QZTJIDSGSA-N 1 1 352.438 3.481 20 5 FGBDMO O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000598507596 507465470 /nfs/dbraw/zinc/46/54/70/507465470.db2.gz CKXYABCWUODGFU-INIZCTEOSA-N 1 1 364.405 3.080 20 5 FGBDMO O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000598507596 507465477 /nfs/dbraw/zinc/46/54/77/507465477.db2.gz CKXYABCWUODGFU-INIZCTEOSA-N 1 1 364.405 3.080 20 5 FGBDMO C[C@@H](C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000598510148 507466861 /nfs/dbraw/zinc/46/68/61/507466861.db2.gz NQVSFWHKBCRNTF-DNVCBOLYSA-N 1 1 353.422 3.089 20 5 FGBDMO Cc1ccc([C@H](CN2CCOCC2)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000595409281 507485356 /nfs/dbraw/zinc/48/53/56/507485356.db2.gz DFBJHVJTIXNWKI-IBGZPJMESA-N 1 1 373.428 3.205 20 5 FGBDMO CCn1nccc1CC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132265 507498902 /nfs/dbraw/zinc/49/89/02/507498902.db2.gz FWWVSQYUXJVTCZ-UAPYVXQJSA-N 1 1 372.469 3.159 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3[C@H]3CCCOC3)o2)cc1 ZINC000592134269 507499063 /nfs/dbraw/zinc/49/90/63/507499063.db2.gz OZWOSQPPXKZJOB-GOEBONIOSA-N 1 1 358.398 3.036 20 5 FGBDMO C[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000595481014 507522099 /nfs/dbraw/zinc/52/20/99/507522099.db2.gz MWHSGCIOKDRUEO-ZBFHGGJFSA-N 1 1 360.458 3.077 20 5 FGBDMO CC[N@H+]1CCCN(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000595536581 507549016 /nfs/dbraw/zinc/54/90/16/507549016.db2.gz ZWLCXNLDHLGWAW-GFCCVEGCSA-N 1 1 373.400 3.121 20 5 FGBDMO CCCO[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611271234 507594242 /nfs/dbraw/zinc/59/42/42/507594242.db2.gz SAKAPTIQSKMMCO-OAHLLOKOSA-N 1 1 350.415 3.147 20 5 FGBDMO COc1ccc(C[N@H+]2CC[C@@H](n3cnc4c3CCCC4)C2)cc1[N+](=O)[O-] ZINC000614741412 507641037 /nfs/dbraw/zinc/64/10/37/507641037.db2.gz ZFQJGPOOZFADJA-OAHLLOKOSA-N 1 1 356.426 3.126 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000614740625 507641086 /nfs/dbraw/zinc/64/10/86/507641086.db2.gz HFPIPIGFPDQHLR-INIZCTEOSA-N 1 1 356.426 3.126 20 5 FGBDMO Cc1noc(C)c1[C@@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000611409135 507668803 /nfs/dbraw/zinc/66/88/03/507668803.db2.gz RUNWKGHTEGYZPQ-MRVPVSSYSA-N 1 1 352.778 3.142 20 5 FGBDMO COc1ccc2c(c1)CC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C2 ZINC000595759809 507672011 /nfs/dbraw/zinc/67/20/11/507672011.db2.gz QHFNAEGCHOLWQB-UHFFFAOYSA-N 1 1 358.394 3.049 20 5 FGBDMO COc1ccc2c(c1)CC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C2 ZINC000595759809 507672015 /nfs/dbraw/zinc/67/20/15/507672015.db2.gz QHFNAEGCHOLWQB-UHFFFAOYSA-N 1 1 358.394 3.049 20 5 FGBDMO COc1ccc2c(c1)CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C2 ZINC000595760697 507672105 /nfs/dbraw/zinc/67/21/05/507672105.db2.gz VYSAAJRXFYHTQN-UHFFFAOYSA-N 1 1 369.421 3.299 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c2c(c1)COCO2 ZINC000595791865 507688670 /nfs/dbraw/zinc/68/86/70/507688670.db2.gz XMLPNJPDKIEGLA-KBXCAEBGSA-N 1 1 362.426 3.242 20 5 FGBDMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000592526580 507696590 /nfs/dbraw/zinc/69/65/90/507696590.db2.gz IBENDTKBSSXMCO-MRXNPFEDSA-N 1 1 373.375 3.219 20 5 FGBDMO CC(C)C(=O)NC1CC[NH+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602441803 507713115 /nfs/dbraw/zinc/71/31/15/507713115.db2.gz XBOWAAPSVZDZMW-UHFFFAOYSA-N 1 1 373.375 3.350 20 5 FGBDMO Cn1cc(C[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c([N+](=O)[O-])n1 ZINC000602481190 507722474 /nfs/dbraw/zinc/72/24/74/507722474.db2.gz AOVFBMYJKBQSFG-GFCCVEGCSA-N 1 1 361.471 3.043 20 5 FGBDMO C[NH+](C)[C@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)c1cccc(F)c1 ZINC000602502306 507730288 /nfs/dbraw/zinc/73/02/88/507730288.db2.gz GWICXMCUAIAXEU-MRXNPFEDSA-N 1 1 358.373 3.268 20 5 FGBDMO Cc1noc(C)c1[C@@H](C)C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000611560880 507738942 /nfs/dbraw/zinc/73/89/42/507738942.db2.gz VYMOUWOYPIRLOI-SGTLLEGYSA-N 1 1 369.425 3.416 20 5 FGBDMO Cc1csc(CC[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)n1 ZINC000611560322 507739599 /nfs/dbraw/zinc/73/95/99/507739599.db2.gz DRNSXUWKZVCYQP-INIZCTEOSA-N 1 1 357.439 3.015 20 5 FGBDMO Cc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2C)c(N2CCCC2)[nH+]1 ZINC000611572275 507747186 /nfs/dbraw/zinc/74/71/86/507747186.db2.gz PZAOKYLDHRVFMW-UHFFFAOYSA-N 1 1 354.410 3.137 20 5 FGBDMO CC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000820926707 607059414 /nfs/dbraw/zinc/05/94/14/607059414.db2.gz VMWIVFUQSVTYMO-MRXNPFEDSA-N 1 1 356.361 3.155 20 5 FGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)c1 ZINC000128487260 700775810 /nfs/dbraw/zinc/77/58/10/700775810.db2.gz HPEXXPGGHCEQMV-RDJZCZTQSA-N 1 1 362.813 3.435 20 5 FGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@H](Oc3ccccc3Cl)C2)c1 ZINC000128487260 700775812 /nfs/dbraw/zinc/77/58/12/700775812.db2.gz HPEXXPGGHCEQMV-RDJZCZTQSA-N 1 1 362.813 3.435 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000162209195 705291451 /nfs/dbraw/zinc/29/14/51/705291451.db2.gz XNJLWGQXCWTOPY-UONOGXRCSA-N 1 1 354.248 3.074 20 5 FGBDMO C[N@H+]1CCC[C@@H]2CN(Cn3c4cc([N+](=O)[O-])ccc4oc3=S)CC[C@H]21 ZINC000247083101 713635706 /nfs/dbraw/zinc/63/57/06/713635706.db2.gz OXZWBJPKMMBFGW-TZMCWYRMSA-N 1 1 362.455 3.246 20 5 FGBDMO C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000374309085 713912544 /nfs/dbraw/zinc/91/25/44/713912544.db2.gz LMGGNLDOHMNZBL-JKSUJKDBSA-N 1 1 359.813 3.076 20 5 FGBDMO C[C@@H]1C[N@H+](C[C@H]2CCCN2Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000522548959 714192228 /nfs/dbraw/zinc/19/22/28/714192228.db2.gz SUIWFSPSGBNRMK-JKIFEVAISA-N 1 1 367.877 3.322 20 5 FGBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000619566989 714853466 /nfs/dbraw/zinc/85/34/66/714853466.db2.gz GINYGUHCWMGGSY-KBPBESRZSA-N 1 1 351.472 3.018 20 5 FGBDMO CCOc1cc(COC(=O)CC[C@@H]2CCCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000803858502 724476601 /nfs/dbraw/zinc/47/66/01/724476601.db2.gz PXUDTLDAJURRKC-HNNXBMFYSA-N 1 1 350.415 3.301 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)nc1Cl ZINC001164730350 720364557 /nfs/dbraw/zinc/36/45/57/720364557.db2.gz WZZIXMUZWRGMDV-HUUCEWRRSA-N 1 1 373.844 3.200 20 5 FGBDMO Cn1cc([C@@H](O)C[C@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])c(Cl)c2)cn1 ZINC000783579993 724767500 /nfs/dbraw/zinc/76/75/00/724767500.db2.gz MDCDCCYRIDVDFH-PBHICJAKSA-N 1 1 364.833 3.070 20 5 FGBDMO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000783925650 724804499 /nfs/dbraw/zinc/80/44/99/724804499.db2.gz XRLAMNKZZCTTGX-MRXNPFEDSA-N 1 1 370.833 3.085 20 5 FGBDMO Cc1nn(C[N@@H+](C)CCc2ccc(Cl)cc2)c2ncc([N+](=O)[O-])cc12 ZINC000749954178 722749658 /nfs/dbraw/zinc/74/96/58/722749658.db2.gz SPADLEGJGQOBAG-UHFFFAOYSA-N 1 1 359.817 3.433 20 5 FGBDMO C[N@@H+](C1CCCC1)C(C)(C)C(=O)OCCOc1ccccc1[N+](=O)[O-] ZINC000754872167 722947342 /nfs/dbraw/zinc/94/73/42/722947342.db2.gz PUVMHJVTDWJPHX-UHFFFAOYSA-N 1 1 350.415 3.170 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C ZINC000757262467 722975696 /nfs/dbraw/zinc/97/56/96/722975696.db2.gz MPSYEJBWLJJRCB-GXTWGEPZSA-N 1 1 368.865 3.262 20 5 FGBDMO C[N@H+]1CCC[C@H]1CCN1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792916572 723382334 /nfs/dbraw/zinc/38/23/34/723382334.db2.gz ZCPIOVGZSSSBLH-LBPRGKRZSA-N 1 1 368.275 3.200 20 5 FGBDMO CC[N@H+](C[C@H]1CCCO1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000764216537 723399359 /nfs/dbraw/zinc/39/93/59/723399359.db2.gz UWNMQMQXBCOMMI-WCQYABFASA-N 1 1 355.822 3.076 20 5 FGBDMO CC[N@@H+](C[C@H]1CCCO1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000764216537 723399363 /nfs/dbraw/zinc/39/93/63/723399363.db2.gz UWNMQMQXBCOMMI-WCQYABFASA-N 1 1 355.822 3.076 20 5 FGBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000765473857 723515971 /nfs/dbraw/zinc/51/59/71/723515971.db2.gz AQNLWGXDEWQACI-GFCCVEGCSA-N 1 1 353.850 3.489 20 5 FGBDMO CC[N@@H+](CC1CC1)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795426318 723590374 /nfs/dbraw/zinc/59/03/74/723590374.db2.gz DQKVLLOZABESIY-UHFFFAOYSA-N 1 1 368.231 3.003 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@H+]1CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795433660 723590932 /nfs/dbraw/zinc/59/09/32/723590932.db2.gz SIDLTTUCKZNVJZ-VHSXEESVSA-N 1 1 368.231 3.001 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@@H+]1CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795433660 723590935 /nfs/dbraw/zinc/59/09/35/723590935.db2.gz SIDLTTUCKZNVJZ-VHSXEESVSA-N 1 1 368.231 3.001 20 5 FGBDMO Cn1cc[nH+]c1[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000767459279 723619955 /nfs/dbraw/zinc/61/99/55/723619955.db2.gz SPNKFOZTATZNKF-NSHDSACASA-N 1 1 365.231 3.475 20 5 FGBDMO Cc1[nH+]ccn1CCCOC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000767658883 723627280 /nfs/dbraw/zinc/62/72/80/723627280.db2.gz MTLVSYBKLUAERW-UHFFFAOYSA-N 1 1 368.187 3.109 20 5 FGBDMO CC[N@H+]1C[C@H](C)N(Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@H]1C ZINC000769467004 723686465 /nfs/dbraw/zinc/68/64/65/723686465.db2.gz QGIYVYDWXZCIGT-NEPJUHHUSA-N 1 1 356.264 3.272 20 5 FGBDMO CC[N@@H+]1CCCC[C@H]1C(=O)OCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000773425314 723784542 /nfs/dbraw/zinc/78/45/42/723784542.db2.gz LQCNWSVQAMCDGJ-ZDUSSCGKSA-N 1 1 371.231 3.275 20 5 FGBDMO CC[N@H+]1CCCC[C@H]1C(=O)OCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000773425314 723784545 /nfs/dbraw/zinc/78/45/45/723784545.db2.gz LQCNWSVQAMCDGJ-ZDUSSCGKSA-N 1 1 371.231 3.275 20 5 FGBDMO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000775629495 724012235 /nfs/dbraw/zinc/01/22/35/724012235.db2.gz FOSRUAUNICTXKV-GFCCVEGCSA-N 1 1 368.842 3.200 20 5 FGBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cn1c(=O)oc2ccc(Cl)cc21 ZINC000800866075 724239904 /nfs/dbraw/zinc/23/99/04/724239904.db2.gz QZOMQJDENRHCGT-UHFFFAOYSA-N 1 1 361.785 3.288 20 5 FGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cn1c(=O)oc2ccc(Cl)cc21 ZINC000800866075 724239907 /nfs/dbraw/zinc/23/99/07/724239907.db2.gz QZOMQJDENRHCGT-UHFFFAOYSA-N 1 1 361.785 3.288 20 5 FGBDMO Cc1cnc(CC[N@H+](C)Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)s1 ZINC000777958724 724275610 /nfs/dbraw/zinc/27/56/10/724275610.db2.gz VZHPSGAPXOKMDN-UHFFFAOYSA-N 1 1 357.439 3.355 20 5 FGBDMO C[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])CC1(O)CCCCCC1 ZINC000778283357 724318260 /nfs/dbraw/zinc/31/82/60/724318260.db2.gz NRRASQDZOFKDQU-UHFFFAOYSA-N 1 1 369.849 3.204 20 5 FGBDMO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])CC1(O)CCCCCC1 ZINC000778283357 724318263 /nfs/dbraw/zinc/31/82/63/724318263.db2.gz NRRASQDZOFKDQU-UHFFFAOYSA-N 1 1 369.849 3.204 20 5 FGBDMO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)OCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000785735841 724933761 /nfs/dbraw/zinc/93/37/61/724933761.db2.gz VAHICZBVQYGDRR-GHMZBOCLSA-N 1 1 371.231 3.273 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000810484126 725310285 /nfs/dbraw/zinc/31/02/85/725310285.db2.gz ODVCOKAFNVQGHP-UGSOOPFHSA-N 1 1 351.422 3.293 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000810844849 725330503 /nfs/dbraw/zinc/33/05/03/725330503.db2.gz AWHDBHFPFMVQDO-CFVMTHIKSA-N 1 1 350.440 3.245 20 5 FGBDMO CCO[C@@H](CC[NH+](C)C)CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811487062 725368749 /nfs/dbraw/zinc/36/87/49/725368749.db2.gz LEBNVLHAMBMFAN-ZDUSSCGKSA-N 1 1 364.273 3.348 20 5 FGBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000811598887 725374439 /nfs/dbraw/zinc/37/44/39/725374439.db2.gz GHFKFWZCIXAILX-LLVKDONJSA-N 1 1 372.263 3.208 20 5 FGBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccnc(Cl)c1 ZINC000813170492 726845983 /nfs/dbraw/zinc/84/59/83/726845983.db2.gz GRTURGKAHPSXBU-HNNXBMFYSA-N 1 1 361.785 3.075 20 5 FGBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccnc(Cl)c1 ZINC000813170492 726845985 /nfs/dbraw/zinc/84/59/85/726845985.db2.gz GRTURGKAHPSXBU-HNNXBMFYSA-N 1 1 361.785 3.075 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000820826755 729034875 /nfs/dbraw/zinc/03/48/75/729034875.db2.gz HFGSMYWMBWUMHS-LLVKDONJSA-N 1 1 354.838 3.490 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)ccc1Br ZINC000824716758 729356316 /nfs/dbraw/zinc/35/63/16/729356316.db2.gz ZQSWTUOERQYQHN-XPKDYRNWSA-N 1 1 369.259 3.483 20 5 FGBDMO O=C(C[N@@H+]1CC[C@@H](c2cccnc2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000829506720 729486303 /nfs/dbraw/zinc/48/63/03/729486303.db2.gz WLWAAPVLKCJFQG-CYBMUJFWSA-N 1 1 360.801 3.071 20 5 FGBDMO O=C(C[N@H+]1CC[C@@H](c2cccnc2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000829506720 729486306 /nfs/dbraw/zinc/48/63/06/729486306.db2.gz WLWAAPVLKCJFQG-CYBMUJFWSA-N 1 1 360.801 3.071 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000835598663 729904746 /nfs/dbraw/zinc/90/47/46/729904746.db2.gz QAWOFAQJJIVYBF-WYQXTGKHSA-N 1 1 364.467 3.491 20 5 FGBDMO Cc1ccc(NCCCNC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])[nH+]c1 ZINC000836737382 729967727 /nfs/dbraw/zinc/96/77/27/729967727.db2.gz PDXVYZJZBFBQBE-UHFFFAOYSA-N 1 1 362.817 3.492 20 5 FGBDMO O=[N+]([O-])c1cc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccc1Br ZINC000843125838 730588847 /nfs/dbraw/zinc/58/88/47/730588847.db2.gz JJPHSCAFPJSBPT-KBPBESRZSA-N 1 1 368.275 3.179 20 5 FGBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000843774154 730653710 /nfs/dbraw/zinc/65/37/10/730653710.db2.gz IBXORZMENPUFOT-XQQFMLRXSA-N 1 1 351.422 3.139 20 5 FGBDMO CC[N@@H+](CCNC(=O)c1c(C)c(F)ccc1[N+](=O)[O-])CCC(F)(F)F ZINC000843865164 730661804 /nfs/dbraw/zinc/66/18/04/730661804.db2.gz OBMXHWMCUYTGKE-UHFFFAOYSA-N 1 1 365.327 3.046 20 5 FGBDMO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000847141542 731025587 /nfs/dbraw/zinc/02/55/87/731025587.db2.gz IXRDNQXUBKRLLX-HIFRSBDPSA-N 1 1 352.822 3.387 20 5 FGBDMO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000847255344 731040878 /nfs/dbraw/zinc/04/08/78/731040878.db2.gz KJQLPRSELTYDHW-HUUCEWRRSA-N 1 1 369.824 3.063 20 5 FGBDMO O=[N+]([O-])c1ccc(Cl)cc1NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000853795390 731755558 /nfs/dbraw/zinc/75/55/58/731755558.db2.gz MLBUANJQTDDDTC-INIZCTEOSA-N 1 1 361.829 3.427 20 5 FGBDMO C[N@H+]1CCC[C@@]2(CCN(c3cccc(Br)c3[N+](=O)[O-])C2)C1 ZINC000856759920 732055436 /nfs/dbraw/zinc/05/54/36/732055436.db2.gz HGDSDMHUZCFLPA-OAHLLOKOSA-N 1 1 354.248 3.279 20 5 FGBDMO CC[N@@H+]1CCc2nc(NC(=O)c3cccc([N+](=O)[O-])c3Cl)sc2C1 ZINC000858181804 732189986 /nfs/dbraw/zinc/18/99/86/732189986.db2.gz ZBZUVSKDROBDDC-UHFFFAOYSA-N 1 1 366.830 3.335 20 5 FGBDMO CC[N@H+]1CCc2nc(NC(=O)c3cccc([N+](=O)[O-])c3Cl)sc2C1 ZINC000858181804 732189989 /nfs/dbraw/zinc/18/99/89/732189989.db2.gz ZBZUVSKDROBDDC-UHFFFAOYSA-N 1 1 366.830 3.335 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC3(CCOCC3)CC[C@H]2CO)ccc1Cl ZINC000859522228 732343426 /nfs/dbraw/zinc/34/34/26/732343426.db2.gz GYADXDQSJUGHDZ-AWEZNQCLSA-N 1 1 354.834 3.002 20 5 FGBDMO C[C@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872027298 735578487 /nfs/dbraw/zinc/57/84/87/735578487.db2.gz IWKUQZNCCOAHHU-ZDUSSCGKSA-N 1 1 366.414 3.249 20 5 FGBDMO COC1CC[NH+](CCN[C@@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000872040602 735580750 /nfs/dbraw/zinc/58/07/50/735580750.db2.gz ASAPCYPTTJDYJG-ZDUSSCGKSA-N 1 1 353.488 3.078 20 5 FGBDMO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ncc(Cl)s1 ZINC000872116506 735590856 /nfs/dbraw/zinc/59/08/56/735590856.db2.gz RQFGIQGVRNMXPI-VIFPVBQESA-N 1 1 354.819 3.212 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@@H+]2CCC23CCOCC3)o1 ZINC000878516773 736858474 /nfs/dbraw/zinc/85/84/74/736858474.db2.gz GQHILZNRSIAUMP-UHFFFAOYSA-N 1 1 364.789 3.053 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@H+]2CCC23CCOCC3)o1 ZINC000878516773 736858481 /nfs/dbraw/zinc/85/84/81/736858481.db2.gz GQHILZNRSIAUMP-UHFFFAOYSA-N 1 1 364.789 3.053 20 5 FGBDMO C[C@](CO)([NH2+]Cc1cc(Cl)nc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000879272813 736975082 /nfs/dbraw/zinc/97/50/82/736975082.db2.gz FDHFBYHHQQCDNZ-OAHLLOKOSA-N 1 1 356.209 3.294 20 5 FGBDMO Cc1csc([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000880007700 737097578 /nfs/dbraw/zinc/09/75/78/737097578.db2.gz LDRPHLBZRCPJKZ-STQMWFEESA-N 1 1 360.439 3.176 20 5 FGBDMO Cc1csc([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000880007700 737097584 /nfs/dbraw/zinc/09/75/84/737097584.db2.gz LDRPHLBZRCPJKZ-STQMWFEESA-N 1 1 360.439 3.176 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@@H+](C2CC2)[C@H]2CCC3(C[C@@H]2F)OCCO3)cc1 ZINC000891623865 739921925 /nfs/dbraw/zinc/92/19/25/739921925.db2.gz PZYZYSPZCDOIOW-IRXDYDNUSA-N 1 1 350.390 3.193 20 5 FGBDMO COc1c(O)ccc(C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)c1[N+](=O)[O-] ZINC000895145023 742380988 /nfs/dbraw/zinc/38/09/88/742380988.db2.gz QZZNCMQPADTFJU-UHFFFAOYSA-N 1 1 364.295 3.175 20 5 FGBDMO COc1c(O)ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c1[N+](=O)[O-] ZINC000895405880 742407331 /nfs/dbraw/zinc/40/73/31/742407331.db2.gz QMERNCHPIISXSY-CJNGLKHVSA-N 1 1 350.415 3.090 20 5 FGBDMO CCO/C=C\[C@](O)(C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000895716248 742445913 /nfs/dbraw/zinc/44/59/13/742445913.db2.gz AIPQPTWTPGDWPD-SZZPACECSA-N 1 1 368.739 3.181 20 5 FGBDMO C[N@H+](CCCc1ccccc1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000917615613 758250145 /nfs/dbraw/zinc/25/01/45/758250145.db2.gz PDZMRAXJSVZJKR-UHFFFAOYSA-N 1 1 353.220 3.076 20 5 FGBDMO C[N@@H+](CCCc1ccccc1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000917615613 758250150 /nfs/dbraw/zinc/25/01/50/758250150.db2.gz PDZMRAXJSVZJKR-UHFFFAOYSA-N 1 1 353.220 3.076 20 5 FGBDMO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CNCCC1(F)F ZINC000925782612 759537693 /nfs/dbraw/zinc/53/76/93/759537693.db2.gz MGZRCUKAMGIXGI-CHWSQXEVSA-N 1 1 359.442 3.300 20 5 FGBDMO CC[C@H](CSc1ccccc1[N+](=O)[O-])NC[C@H]1C[NH2+]CCC1(F)F ZINC000925782612 759537701 /nfs/dbraw/zinc/53/77/01/759537701.db2.gz MGZRCUKAMGIXGI-CHWSQXEVSA-N 1 1 359.442 3.300 20 5 FGBDMO O=C(C[NH2+][C@@H](c1ccccn1)C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000932376748 761152976 /nfs/dbraw/zinc/15/29/76/761152976.db2.gz LRBMHXHALKJCIN-QGZVFWFLSA-N 1 1 360.801 3.323 20 5 FGBDMO CC(C)c1[nH+]ccn1CCNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000932644132 761206755 /nfs/dbraw/zinc/20/67/55/761206755.db2.gz MGAVKQNLMMAORM-UHFFFAOYSA-N 1 1 364.833 3.317 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2SC)[C@@H](C)C1 ZINC000933440038 761390030 /nfs/dbraw/zinc/39/00/30/761390030.db2.gz XGMXDGHTNZGAOB-WFASDCNBSA-N 1 1 351.472 3.119 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000933440092 761390460 /nfs/dbraw/zinc/39/04/60/761390460.db2.gz XTQULVIMLOAOLP-XJKSGUPXSA-N 1 1 367.877 3.370 20 5 FGBDMO C[C@H]([NH2+][C@@H](C)c1cncs1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000934197515 761557060 /nfs/dbraw/zinc/55/70/60/761557060.db2.gz DEFHCHMVMSFSTE-IUCAKERBSA-N 1 1 354.819 3.383 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000040713352 257339506 /nfs/dbraw/zinc/33/95/06/257339506.db2.gz XTZMQVIXWHKTKH-NSHDSACASA-N 1 1 357.252 3.429 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC000302117779 257384217 /nfs/dbraw/zinc/38/42/17/257384217.db2.gz WSVOBUCARRUQGR-UHFFFAOYSA-N 1 1 369.421 3.094 20 5 FGBDMO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000573652369 505587634 /nfs/dbraw/zinc/58/76/34/505587634.db2.gz XMVBIUOQPLWYSL-LBPRGKRZSA-N 1 1 362.455 3.177 20 5 FGBDMO COCC[N@@H+](C)CCCC1CCN(c2c(OC)cccc2[N+](=O)[O-])CC1 ZINC000576837637 505606340 /nfs/dbraw/zinc/60/63/40/505606340.db2.gz KQGXYRBBRRQGQP-UHFFFAOYSA-N 1 1 365.474 3.178 20 5 FGBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000573844666 505633764 /nfs/dbraw/zinc/63/37/64/505633764.db2.gz BOIDBNHHWHTXOO-CXAGYDPISA-N 1 1 360.483 3.490 20 5 FGBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000057554333 493772196 /nfs/dbraw/zinc/77/21/96/493772196.db2.gz FWCJHZAKKYVUGI-AWEZNQCLSA-N 1 1 367.405 3.354 20 5 FGBDMO C[C@@H](c1ccccc1)[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC1CCC1 ZINC000075766404 493776879 /nfs/dbraw/zinc/77/68/79/493776879.db2.gz IUZFDIDRACLBJA-KXBFYZLASA-N 1 1 358.442 3.016 20 5 FGBDMO O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000068256720 493786298 /nfs/dbraw/zinc/78/62/98/493786298.db2.gz XZTIRWZGPCKAFJ-KRWDZBQOSA-N 1 1 371.412 3.262 20 5 FGBDMO CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H](C)c1cccc(O)c1 ZINC000080937273 493794175 /nfs/dbraw/zinc/79/41/75/493794175.db2.gz RBBGOFQKFIUSSZ-AWEZNQCLSA-N 1 1 357.410 3.346 20 5 FGBDMO CC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H](C)c1cccc(O)c1 ZINC000080937273 493794176 /nfs/dbraw/zinc/79/41/76/493794176.db2.gz RBBGOFQKFIUSSZ-AWEZNQCLSA-N 1 1 357.410 3.346 20 5 FGBDMO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000068353285 493802741 /nfs/dbraw/zinc/80/27/41/493802741.db2.gz JQBXOZPBAODRKS-QWHCGFSZSA-N 1 1 369.849 3.006 20 5 FGBDMO CC(C)[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000030148433 493877661 /nfs/dbraw/zinc/87/76/61/493877661.db2.gz XSNOVGJRBYXEDV-SNVBAGLBSA-N 1 1 358.236 3.272 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCN(C)c2ccccc2C1 ZINC000069090990 493919743 /nfs/dbraw/zinc/91/97/43/493919743.db2.gz CSTQJLCENRYARD-UHFFFAOYSA-N 1 1 368.437 3.184 20 5 FGBDMO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000050631688 493924775 /nfs/dbraw/zinc/92/47/75/493924775.db2.gz SPBSRXDYMKONQT-OAHLLOKOSA-N 1 1 372.450 3.029 20 5 FGBDMO O=C(CC[N@H+]1CC[C@@H](Nc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000060369956 493927802 /nfs/dbraw/zinc/92/78/02/493927802.db2.gz CPUCLWXEEBXUCP-MRXNPFEDSA-N 1 1 354.410 3.110 20 5 FGBDMO C[C@@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000052160066 494006654 /nfs/dbraw/zinc/00/66/54/494006654.db2.gz JPRJQOQREZJKLK-KGLIPLIRSA-N 1 1 360.458 3.019 20 5 FGBDMO CC(C)CCO[C@@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000083246843 494013763 /nfs/dbraw/zinc/01/37/63/494013763.db2.gz GPEPKNGQHZANEK-MRXNPFEDSA-N 1 1 360.414 3.282 20 5 FGBDMO CC(C)CCO[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000083246843 494013767 /nfs/dbraw/zinc/01/37/67/494013767.db2.gz GPEPKNGQHZANEK-MRXNPFEDSA-N 1 1 360.414 3.282 20 5 FGBDMO CC(C)[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CCOCC1 ZINC000077356717 494066647 /nfs/dbraw/zinc/06/66/47/494066647.db2.gz DDLIVIDIVKDXRP-UHFFFAOYSA-N 1 1 355.822 3.076 20 5 FGBDMO CC(C)NC(=O)c1ccc(NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000071954273 494111457 /nfs/dbraw/zinc/11/14/57/494111457.db2.gz PUTHMZOSCQWHPT-CABCVRRESA-N 1 1 362.474 3.265 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+](C)Cc2ccccc2)c1 ZINC000053349243 494119707 /nfs/dbraw/zinc/11/97/07/494119707.db2.gz AANVDAHGGRDQOK-UHFFFAOYSA-N 1 1 359.451 3.179 20 5 FGBDMO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])o1 ZINC000041941967 494188737 /nfs/dbraw/zinc/18/87/37/494188737.db2.gz ZTYZLWVJMKJKTD-AWEZNQCLSA-N 1 1 363.801 3.408 20 5 FGBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)COc1ccccc1F ZINC000065512344 494206341 /nfs/dbraw/zinc/20/63/41/494206341.db2.gz FAOUBECLNKCSCY-KRWDZBQOSA-N 1 1 362.401 3.384 20 5 FGBDMO Cc1cccnc1NC(=O)C1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000054208261 494206423 /nfs/dbraw/zinc/20/64/23/494206423.db2.gz NJBQMZDNEXDKMN-UHFFFAOYSA-N 1 1 372.400 3.288 20 5 FGBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000054227980 494209795 /nfs/dbraw/zinc/20/97/95/494209795.db2.gz PJGXJJQMFLPVBI-ZFWWWQNUSA-N 1 1 357.385 3.299 20 5 FGBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000054286945 494217670 /nfs/dbraw/zinc/21/76/70/494217670.db2.gz YXSXQKBMMMOHBX-GFCCVEGCSA-N 1 1 353.850 3.489 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccc(OC(F)F)cc3)C2)nc1 ZINC000072665337 494228992 /nfs/dbraw/zinc/22/89/92/494228992.db2.gz QKAFVNRXMISPNN-ZDUSSCGKSA-N 1 1 364.352 3.278 20 5 FGBDMO Cc1c(NC(=O)CCN(C)CC[C@H]2CCCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000072725295 494241838 /nfs/dbraw/zinc/24/18/38/494241838.db2.gz ZAKWUGZHEDQMNU-MRXNPFEDSA-N 1 1 362.474 3.038 20 5 FGBDMO Cc1c(NC(=O)CCN(C)CC[C@H]2CCCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000072725295 494241841 /nfs/dbraw/zinc/24/18/41/494241841.db2.gz ZAKWUGZHEDQMNU-MRXNPFEDSA-N 1 1 362.474 3.038 20 5 FGBDMO CNc1ccc(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cc1[N+](=O)[O-] ZINC000072809128 494255750 /nfs/dbraw/zinc/25/57/50/494255750.db2.gz VNHFMXOJJQYVTB-CVEARBPZSA-N 1 1 374.485 3.363 20 5 FGBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000054720638 494264220 /nfs/dbraw/zinc/26/42/20/494264220.db2.gz HDIPQWMVAAWGFL-YJBOKZPZSA-N 1 1 368.437 3.230 20 5 FGBDMO C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@@H](C)C1 ZINC000043341520 494288770 /nfs/dbraw/zinc/28/87/70/494288770.db2.gz QKLOFKHTUSBZMO-NEPJUHHUSA-N 1 1 354.838 3.490 20 5 FGBDMO O=C(NC1CCCCC1)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000055027687 494291901 /nfs/dbraw/zinc/29/19/01/494291901.db2.gz CFWGQCJHKCXCRS-UHFFFAOYSA-N 1 1 360.458 3.191 20 5 FGBDMO CN1CCC(CNc2ncc([N+](=O)[O-])cc2Cl)([NH+]2CCCCC2)CC1 ZINC000078457518 494299492 /nfs/dbraw/zinc/29/94/92/494299492.db2.gz GQRRTTRBLFSQOU-UHFFFAOYSA-N 1 1 367.881 3.005 20 5 FGBDMO COc1ccc(F)cc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000055152540 494307360 /nfs/dbraw/zinc/30/73/60/494307360.db2.gz ZDYNAFBGHULSHY-RYUDHWBXSA-N 1 1 361.373 3.420 20 5 FGBDMO CC1CC[NH+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 ZINC000014787750 494324887 /nfs/dbraw/zinc/32/48/87/494324887.db2.gz AGTQVHUCPCGFGX-UHFFFAOYSA-N 1 1 360.439 3.389 20 5 FGBDMO COC(=O)C[C@H]1CCCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089892405 494395090 /nfs/dbraw/zinc/39/50/90/494395090.db2.gz IXIJKVOEALJXJU-MRXNPFEDSA-N 1 1 359.382 3.167 20 5 FGBDMO COC(=O)C[C@H]1CCCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089892405 494395095 /nfs/dbraw/zinc/39/50/95/494395095.db2.gz IXIJKVOEALJXJU-MRXNPFEDSA-N 1 1 359.382 3.167 20 5 FGBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000055749889 494401037 /nfs/dbraw/zinc/40/10/37/494401037.db2.gz WGUOFHBMUGTZGC-FRRDWIJNSA-N 1 1 353.850 3.344 20 5 FGBDMO CCC[N@@H+]1Cc2cccc(NC(=O)CNc3ccccc3[N+](=O)[O-])c2C1 ZINC000066760841 494402513 /nfs/dbraw/zinc/40/25/13/494402513.db2.gz YNPYPPYYKOYMFQ-UHFFFAOYSA-N 1 1 354.410 3.371 20 5 FGBDMO CCC[N@H+]1Cc2cccc(NC(=O)CNc3ccccc3[N+](=O)[O-])c2C1 ZINC000066760841 494402518 /nfs/dbraw/zinc/40/25/18/494402518.db2.gz YNPYPPYYKOYMFQ-UHFFFAOYSA-N 1 1 354.410 3.371 20 5 FGBDMO C[N@@H+]1CC[C@H](NC(=O)c2csc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1 ZINC000089997295 494422661 /nfs/dbraw/zinc/42/26/61/494422661.db2.gz UVFKIJQXVUFCOT-ZFWWWQNUSA-N 1 1 365.842 3.485 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)c2csc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1 ZINC000089997295 494422664 /nfs/dbraw/zinc/42/26/64/494422664.db2.gz UVFKIJQXVUFCOT-ZFWWWQNUSA-N 1 1 365.842 3.485 20 5 FGBDMO CN(C(=O)C[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000055908434 494426862 /nfs/dbraw/zinc/42/68/62/494426862.db2.gz PKABPQCNNUEADX-LJQANCHMSA-N 1 1 371.412 3.404 20 5 FGBDMO Cc1cccc(C[NH+]2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000018178616 494428061 /nfs/dbraw/zinc/42/80/61/494428061.db2.gz IPQNKZHERWCESZ-UHFFFAOYSA-N 1 1 354.410 3.253 20 5 FGBDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000079309152 494434781 /nfs/dbraw/zinc/43/47/81/494434781.db2.gz LVWLDIMKCQRTPC-GXTWGEPZSA-N 1 1 374.384 3.330 20 5 FGBDMO Cc1cccc(NC(=O)C[N@H+](C)CCOc2cccc([N+](=O)[O-])c2)c1C ZINC000046056726 494490855 /nfs/dbraw/zinc/49/08/55/494490855.db2.gz ARPZYFXWFDMQDS-UHFFFAOYSA-N 1 1 357.410 3.161 20 5 FGBDMO Cc1cccc(NC(=O)C[N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)c1C ZINC000046056726 494490859 /nfs/dbraw/zinc/49/08/59/494490859.db2.gz ARPZYFXWFDMQDS-UHFFFAOYSA-N 1 1 357.410 3.161 20 5 FGBDMO C[C@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000079709748 494512499 /nfs/dbraw/zinc/51/24/99/494512499.db2.gz YOQULUGMWGFSIO-QFBILLFUSA-N 1 1 367.449 3.307 20 5 FGBDMO Cc1c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000574233596 505726462 /nfs/dbraw/zinc/72/64/62/505726462.db2.gz ZWHOIUSCGBNUOR-CRAIPNDOSA-N 1 1 353.422 3.296 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000046615470 494542246 /nfs/dbraw/zinc/54/22/46/494542246.db2.gz CJIUJFWKBINYEJ-CQSZACIVSA-N 1 1 357.410 3.492 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CC[C@H](Nc4ncccn4)C3)o2)c1 ZINC000580312760 505730370 /nfs/dbraw/zinc/73/03/70/505730370.db2.gz BECJPYONPIYJEZ-HNNXBMFYSA-N 1 1 365.393 3.331 20 5 FGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000047144502 494643282 /nfs/dbraw/zinc/64/32/82/494643282.db2.gz OTIVCDVVQDHNMD-UONOGXRCSA-N 1 1 351.472 3.066 20 5 FGBDMO COCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccccc1 ZINC000121287603 494685320 /nfs/dbraw/zinc/68/53/20/494685320.db2.gz PJRQLJZBFFNODR-UHFFFAOYSA-N 1 1 371.437 3.380 20 5 FGBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000108342656 494685639 /nfs/dbraw/zinc/68/56/39/494685639.db2.gz IRGHVYGJMSOKAZ-HNNXBMFYSA-N 1 1 369.421 3.459 20 5 FGBDMO CCCO[C@H]1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000108392878 494696690 /nfs/dbraw/zinc/69/66/90/494696690.db2.gz QJAUFHNEDPACHS-INIZCTEOSA-N 1 1 360.414 3.426 20 5 FGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000126368221 494727137 /nfs/dbraw/zinc/72/71/37/494727137.db2.gz WMYJZBPIDGKGLE-LBPRGKRZSA-N 1 1 371.224 3.251 20 5 FGBDMO O=[N+]([O-])c1ccccc1/C=C/CN1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000092789500 494749023 /nfs/dbraw/zinc/74/90/23/494749023.db2.gz UTAONOLIBCEKGG-QPJJXVBHSA-N 1 1 353.422 3.131 20 5 FGBDMO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116275937 494750582 /nfs/dbraw/zinc/75/05/82/494750582.db2.gz IBOMKNOKNGFVJC-ZDUSSCGKSA-N 1 1 353.850 3.377 20 5 FGBDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116275937 494750588 /nfs/dbraw/zinc/75/05/88/494750588.db2.gz IBOMKNOKNGFVJC-ZDUSSCGKSA-N 1 1 353.850 3.377 20 5 FGBDMO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116275911 494751309 /nfs/dbraw/zinc/75/13/09/494751309.db2.gz ZULKFTOQTYJRSX-ZDUSSCGKSA-N 1 1 353.850 3.232 20 5 FGBDMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116275911 494751320 /nfs/dbraw/zinc/75/13/20/494751320.db2.gz ZULKFTOQTYJRSX-ZDUSSCGKSA-N 1 1 353.850 3.232 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]CC1(O)CCC(C)(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000574293016 505739914 /nfs/dbraw/zinc/73/99/14/505739914.db2.gz WCYSCGGAGZORCO-QGZVFWFLSA-N 1 1 372.469 3.339 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)C[C@H](C)O1 ZINC000121440831 494757840 /nfs/dbraw/zinc/75/78/40/494757840.db2.gz STBDFMUQGWBIEJ-GASCZTMLSA-N 1 1 369.421 3.456 20 5 FGBDMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)C[C@H](C)O1 ZINC000121440831 494757846 /nfs/dbraw/zinc/75/78/46/494757846.db2.gz STBDFMUQGWBIEJ-GASCZTMLSA-N 1 1 369.421 3.456 20 5 FGBDMO C[C@@H]1CCC[N@@H+](CCCCNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000121609068 494818956 /nfs/dbraw/zinc/81/89/56/494818956.db2.gz MMAQRZSAWWCGJV-OAHLLOKOSA-N 1 1 374.485 3.411 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116727763 494844460 /nfs/dbraw/zinc/84/44/60/494844460.db2.gz SZSRZEOHICOBHZ-CYBMUJFWSA-N 1 1 369.849 3.008 20 5 FGBDMO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000093278069 494856429 /nfs/dbraw/zinc/85/64/29/494856429.db2.gz OKYVXASRBASEFR-OAHLLOKOSA-N 1 1 369.421 3.442 20 5 FGBDMO C[C@H](c1cccs1)[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000027555000 494873660 /nfs/dbraw/zinc/87/36/60/494873660.db2.gz CISAZKWNERAZCR-SNVBAGLBSA-N 1 1 363.395 3.017 20 5 FGBDMO C[C@H](c1cccs1)[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000027555000 494873665 /nfs/dbraw/zinc/87/36/65/494873665.db2.gz CISAZKWNERAZCR-SNVBAGLBSA-N 1 1 363.395 3.017 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)[C@H](C)C1 ZINC000093639759 494906290 /nfs/dbraw/zinc/90/62/90/494906290.db2.gz NQFBODOTRPXOAE-DOMZBBRYSA-N 1 1 357.401 3.358 20 5 FGBDMO C[C@H]1CCC[N@@H+](CCNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000132790807 494924543 /nfs/dbraw/zinc/92/45/43/494924543.db2.gz GMYJKMMBHKYGEZ-HNNXBMFYSA-N 1 1 360.458 3.001 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000122436976 494975157 /nfs/dbraw/zinc/97/51/57/494975157.db2.gz KLSIMRWUTFDLIK-LBPRGKRZSA-N 1 1 373.409 3.421 20 5 FGBDMO Cc1nn(C)c(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1[N+](=O)[O-] ZINC000110596491 494993410 /nfs/dbraw/zinc/99/34/10/494993410.db2.gz MWEYDICYBFUHID-ALOPSCKCSA-N 1 1 355.442 3.244 20 5 FGBDMO C[C@H](CN1CCOCC1)[N@H+](Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000111056117 495034766 /nfs/dbraw/zinc/03/47/66/495034766.db2.gz OEOLBMPUOFWYDH-GOSISDBHSA-N 1 1 369.465 3.318 20 5 FGBDMO C[C@H](CN1CCOCC1)[N@@H+](Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000111056117 495034769 /nfs/dbraw/zinc/03/47/69/495034769.db2.gz OEOLBMPUOFWYDH-GOSISDBHSA-N 1 1 369.465 3.318 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc(F)cc3Cl)C2)nc1 ZINC000118866555 495050593 /nfs/dbraw/zinc/05/05/93/495050593.db2.gz MTZRWSYLGJJYCG-CYBMUJFWSA-N 1 1 350.781 3.469 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccc(F)cc3Cl)C2)nc1 ZINC000118866555 495050597 /nfs/dbraw/zinc/05/05/97/495050597.db2.gz MTZRWSYLGJJYCG-CYBMUJFWSA-N 1 1 350.781 3.469 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000119887820 495262849 /nfs/dbraw/zinc/26/28/49/495262849.db2.gz OVVHWWBJAPXSRU-UGSOOPFHSA-N 1 1 373.840 3.499 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000124355171 495275009 /nfs/dbraw/zinc/27/50/09/495275009.db2.gz YQKOAAOBOKBNKW-CYBMUJFWSA-N 1 1 353.850 3.346 20 5 FGBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cccs1 ZINC000129874659 495308948 /nfs/dbraw/zinc/30/89/48/495308948.db2.gz JDCFKJTWJHPTHX-WMLDXEAASA-N 1 1 359.451 3.469 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000136027098 495351054 /nfs/dbraw/zinc/35/10/54/495351054.db2.gz MJFYTWOFCHHYLB-ZDUSSCGKSA-N 1 1 351.472 3.311 20 5 FGBDMO C[N@@H+](CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCCC1 ZINC000105293877 495353712 /nfs/dbraw/zinc/35/37/12/495353712.db2.gz WDIMUGHAAYXQAB-UHFFFAOYSA-N 1 1 372.372 3.192 20 5 FGBDMO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccco1 ZINC000124853192 495354060 /nfs/dbraw/zinc/35/40/60/495354060.db2.gz VOOGYLFLZNRZOY-CYBMUJFWSA-N 1 1 371.315 3.239 20 5 FGBDMO Cc1cccc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000114642906 495402811 /nfs/dbraw/zinc/40/28/11/495402811.db2.gz PEUNXVXOVMMWRL-QGZVFWFLSA-N 1 1 353.422 3.298 20 5 FGBDMO O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000114787152 495425816 /nfs/dbraw/zinc/42/58/16/495425816.db2.gz MBDWUBONPNBGOG-IBGZPJMESA-N 1 1 368.437 3.059 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000125577621 495465683 /nfs/dbraw/zinc/46/56/83/495465683.db2.gz UNQMPXPHPVOPGR-GOSISDBHSA-N 1 1 354.410 3.464 20 5 FGBDMO CCO[C@H]1C[C@@H]([N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C12CCC2 ZINC000120865212 495473923 /nfs/dbraw/zinc/47/39/23/495473923.db2.gz XSLUCOMHDGYGKZ-CVEARBPZSA-N 1 1 372.425 3.424 20 5 FGBDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C12CCC2 ZINC000120865212 495473928 /nfs/dbraw/zinc/47/39/28/495473928.db2.gz XSLUCOMHDGYGKZ-CVEARBPZSA-N 1 1 372.425 3.424 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCOC4(CCCC4)C3)o2)c1 ZINC000139696738 495481769 /nfs/dbraw/zinc/48/17/69/495481769.db2.gz YLPHQEDDCACJRV-UHFFFAOYSA-N 1 1 357.410 3.437 20 5 FGBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000140179573 495490228 /nfs/dbraw/zinc/49/02/28/495490228.db2.gz HKLJRZYQVPZTDT-AWEZNQCLSA-N 1 1 359.451 3.298 20 5 FGBDMO C[C@H]1C[C@@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000131262288 495514324 /nfs/dbraw/zinc/51/43/24/495514324.db2.gz MXLQALNLJSMKFR-HOCLYGCPSA-N 1 1 371.412 3.374 20 5 FGBDMO COc1ccc(CCC[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000125894636 495514856 /nfs/dbraw/zinc/51/48/56/495514856.db2.gz QASMMMAPNSJPJV-HNNXBMFYSA-N 1 1 371.437 3.495 20 5 FGBDMO COc1ccc([C@@H](CCO)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000182390214 495544241 /nfs/dbraw/zinc/54/42/41/495544241.db2.gz LQVQAPUYJBWGER-MRXNPFEDSA-N 1 1 350.802 3.470 20 5 FGBDMO CSc1ccc(OCC[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000173473228 495546006 /nfs/dbraw/zinc/54/60/06/495546006.db2.gz WMKZGQZTBWDHDU-AWEZNQCLSA-N 1 1 374.466 3.277 20 5 FGBDMO C[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000173505239 495563931 /nfs/dbraw/zinc/56/39/31/495563931.db2.gz CUBRSGZHKMHRAH-QGZVFWFLSA-N 1 1 367.449 3.260 20 5 FGBDMO COc1cc(C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C2CC2)ccc1O ZINC000179375622 495567019 /nfs/dbraw/zinc/56/70/19/495567019.db2.gz ZVEUXVAYIPSJTC-GOSISDBHSA-N 1 1 358.394 3.007 20 5 FGBDMO COc1ccc2c(c1)C[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])CC2 ZINC000173568305 495591395 /nfs/dbraw/zinc/59/13/95/495591395.db2.gz SMLQYKCDBNUSBA-UHFFFAOYSA-N 1 1 358.394 3.049 20 5 FGBDMO COc1ccc2c(c1)C[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])CC2 ZINC000173568305 495591403 /nfs/dbraw/zinc/59/14/03/495591403.db2.gz SMLQYKCDBNUSBA-UHFFFAOYSA-N 1 1 358.394 3.049 20 5 FGBDMO Cc1c(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000179474086 495606364 /nfs/dbraw/zinc/60/63/64/495606364.db2.gz QUGZIBKUDKTYNR-FUHWJXTLSA-N 1 1 354.410 3.470 20 5 FGBDMO O=C(NC1CC1)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000179487473 495610997 /nfs/dbraw/zinc/61/09/97/495610997.db2.gz LPRMLUVWDVLJLD-KRWDZBQOSA-N 1 1 355.394 3.098 20 5 FGBDMO C[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182564469 495617764 /nfs/dbraw/zinc/61/77/64/495617764.db2.gz GXYQJKARILCWCV-GOEBONIOSA-N 1 1 360.458 3.047 20 5 FGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H](c2nccs2)c2ccccc2)c1 ZINC000154502024 495636163 /nfs/dbraw/zinc/63/61/63/495636163.db2.gz QERPZPDIWLKTPD-IRXDYDNUSA-N 1 1 355.419 3.464 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@H](OCCO)C3)s2)cc1 ZINC000179571600 495644448 /nfs/dbraw/zinc/64/44/48/495644448.db2.gz UVGZQNHQZYLJIM-INIZCTEOSA-N 1 1 362.451 3.297 20 5 FGBDMO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCN(Cc2ccccc2)CC1 ZINC000154541919 495648790 /nfs/dbraw/zinc/64/87/90/495648790.db2.gz QQAWLIDUQKNBCB-NRFANRHFSA-N 1 1 369.465 3.225 20 5 FGBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCN(Cc2ccccc2)CC1 ZINC000154541919 495648795 /nfs/dbraw/zinc/64/87/95/495648795.db2.gz QQAWLIDUQKNBCB-NRFANRHFSA-N 1 1 369.465 3.225 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)C[C@H](O)COCc1ccccc1 ZINC000182783836 495701395 /nfs/dbraw/zinc/70/13/95/495701395.db2.gz LWEYRUBWXKLLOG-LPHOPBHVSA-N 1 1 358.438 3.474 20 5 FGBDMO C[C@H]1CCC[N@H+]1C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000154850987 495749186 /nfs/dbraw/zinc/74/91/86/495749186.db2.gz YVBWCGRPSXBXTL-ZDUSSCGKSA-N 1 1 365.861 3.266 20 5 FGBDMO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000179887563 495771300 /nfs/dbraw/zinc/77/13/00/495771300.db2.gz SUYVHCMZDGMZFV-AWEZNQCLSA-N 1 1 361.423 3.246 20 5 FGBDMO COC(=O)C[C@@H]1CCC[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000179887563 495771302 /nfs/dbraw/zinc/77/13/02/495771302.db2.gz SUYVHCMZDGMZFV-AWEZNQCLSA-N 1 1 361.423 3.246 20 5 FGBDMO O=C1OCCN1c1cccc2c1CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000174055498 495804405 /nfs/dbraw/zinc/80/44/05/495804405.db2.gz UIUKIGSOELERJK-UHFFFAOYSA-N 1 1 353.378 3.110 20 5 FGBDMO O=C1OCCN1c1cccc2c1CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000174055498 495804410 /nfs/dbraw/zinc/80/44/10/495804410.db2.gz UIUKIGSOELERJK-UHFFFAOYSA-N 1 1 353.378 3.110 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159827382 495818258 /nfs/dbraw/zinc/81/82/58/495818258.db2.gz WILZGVBWQDQNPW-CQSZACIVSA-N 1 1 356.426 3.120 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000159827382 495818263 /nfs/dbraw/zinc/81/82/63/495818263.db2.gz WILZGVBWQDQNPW-CQSZACIVSA-N 1 1 356.426 3.120 20 5 FGBDMO COCCOC[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000180009167 495821654 /nfs/dbraw/zinc/82/16/54/495821654.db2.gz BNSRGXKIYFFLES-OAHLLOKOSA-N 1 1 360.410 3.340 20 5 FGBDMO CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000180175183 495892241 /nfs/dbraw/zinc/89/22/41/495892241.db2.gz DERSJKGXSNQMMV-VQIMIIECSA-N 1 1 369.421 3.169 20 5 FGBDMO CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000186377350 495972384 /nfs/dbraw/zinc/97/23/84/495972384.db2.gz ILEZLRHLYINELP-HZPDHXFCSA-N 1 1 360.414 3.328 20 5 FGBDMO CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000186381026 495974935 /nfs/dbraw/zinc/97/49/35/495974935.db2.gz APJZLKVXYJKPJY-HZPDHXFCSA-N 1 1 360.414 3.328 20 5 FGBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000174524012 495995564 /nfs/dbraw/zinc/99/55/64/495995564.db2.gz VBLVNPHABRDWJC-NSHDSACASA-N 1 1 359.348 3.027 20 5 FGBDMO COc1cc(C[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1O ZINC000174539668 496000489 /nfs/dbraw/zinc/00/04/89/496000489.db2.gz PHFWOFZVLBCUFI-UHFFFAOYSA-N 1 1 373.409 3.078 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000174551722 496006530 /nfs/dbraw/zinc/00/65/30/496006530.db2.gz XVWYUVGXILYQIP-AWEZNQCLSA-N 1 1 359.430 3.155 20 5 FGBDMO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000155617632 496014555 /nfs/dbraw/zinc/01/45/55/496014555.db2.gz SLSYRFXNFVIEJU-HNNXBMFYSA-N 1 1 357.410 3.203 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183554764 496028642 /nfs/dbraw/zinc/02/86/42/496028642.db2.gz QUAQICKOIKPJEU-HNNXBMFYSA-N 1 1 369.425 3.118 20 5 FGBDMO COc1ccc(C[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1O ZINC000174624465 496036929 /nfs/dbraw/zinc/03/69/29/496036929.db2.gz YHIYTMNTEXUMDD-UHFFFAOYSA-N 1 1 373.409 3.078 20 5 FGBDMO CC[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C1 ZINC000180812145 496156622 /nfs/dbraw/zinc/15/66/22/496156622.db2.gz ZZJJWRLGCMUXIK-CYBMUJFWSA-N 1 1 351.472 3.167 20 5 FGBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+](C)CC(C)(C)O)c([N+](=O)[O-])c1 ZINC000177727765 496175171 /nfs/dbraw/zinc/17/51/71/496175171.db2.gz GFVXYUJWDVXVJB-SFHVURJKSA-N 1 1 371.437 3.286 20 5 FGBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC(C)(C)O)c([N+](=O)[O-])c1 ZINC000177727765 496175173 /nfs/dbraw/zinc/17/51/73/496175173.db2.gz GFVXYUJWDVXVJB-SFHVURJKSA-N 1 1 371.437 3.286 20 5 FGBDMO CCOC(=O)c1cc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000161907350 496260268 /nfs/dbraw/zinc/26/02/68/496260268.db2.gz ZSNSKBDBLDOKNP-KDOFPFPSSA-N 1 1 373.453 3.225 20 5 FGBDMO Cc1c(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000156550457 496275947 /nfs/dbraw/zinc/27/59/47/496275947.db2.gz RPQLYPIKBVHDQW-KSSFIOAISA-N 1 1 358.442 3.384 20 5 FGBDMO C[C@@H](c1nc2ccccc2o1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000181175858 496298735 /nfs/dbraw/zinc/29/87/35/496298735.db2.gz CAUBCTHDLWBCEV-STQMWFEESA-N 1 1 353.382 3.378 20 5 FGBDMO C[C@@H](c1nc2ccccc2o1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000181175858 496298738 /nfs/dbraw/zinc/29/87/38/496298738.db2.gz CAUBCTHDLWBCEV-STQMWFEESA-N 1 1 353.382 3.378 20 5 FGBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000172483460 496313358 /nfs/dbraw/zinc/31/33/58/496313358.db2.gz UGJNWRCDAKFAIQ-OAHLLOKOSA-N 1 1 373.457 3.058 20 5 FGBDMO CCOc1ccc(NC(=O)CC[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000153150381 496368037 /nfs/dbraw/zinc/36/80/37/496368037.db2.gz NGNCNNRPSLDBJV-UHFFFAOYSA-N 1 1 369.421 3.380 20 5 FGBDMO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000184451215 496389458 /nfs/dbraw/zinc/38/94/58/496389458.db2.gz UPDYPNLTXDQIMM-HNNXBMFYSA-N 1 1 350.415 3.027 20 5 FGBDMO COC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000181649331 496486133 /nfs/dbraw/zinc/48/61/33/496486133.db2.gz JXXBNGCDFPEVJZ-INIZCTEOSA-N 1 1 363.801 3.164 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000187605853 496507838 /nfs/dbraw/zinc/50/78/38/496507838.db2.gz ASMCDTLRUAQBRP-IBGZPJMESA-N 1 1 353.422 3.235 20 5 FGBDMO Cc1cc[nH+]c(N2CCN(C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)CC2)c1 ZINC000153628921 496524425 /nfs/dbraw/zinc/52/44/25/496524425.db2.gz RWRWQNGSAIXROV-UHFFFAOYSA-N 1 1 369.425 3.269 20 5 FGBDMO C[NH+]1CCN(CCC(C)(C)Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000184836275 496551216 /nfs/dbraw/zinc/55/12/16/496551216.db2.gz IWSCNBCJBJITEE-UHFFFAOYSA-N 1 1 372.416 3.024 20 5 FGBDMO C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H](c2ccco2)C1 ZINC000181935864 496605021 /nfs/dbraw/zinc/60/50/21/496605021.db2.gz BSNZXBKMAJXPHE-VYDXJSESSA-N 1 1 360.410 3.401 20 5 FGBDMO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000153886764 496613427 /nfs/dbraw/zinc/61/34/27/496613427.db2.gz GMNVMQMNALTOIU-SJCJKPOMSA-N 1 1 363.845 3.337 20 5 FGBDMO Cc1cc(N2CCC(Nc3ncc(Cl)cc3[N+](=O)[O-])CC2)nc(C)[nH+]1 ZINC000153911293 496621910 /nfs/dbraw/zinc/62/19/10/496621910.db2.gz QBONVBDYXDOQDD-UHFFFAOYSA-N 1 1 362.821 3.131 20 5 FGBDMO COc1ccc([C@@H]2CCC[N@H+]2C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000182198250 496704434 /nfs/dbraw/zinc/70/44/34/496704434.db2.gz BHRUOWISLWDTQU-WMZOPIPTSA-N 1 1 372.421 3.180 20 5 FGBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185242961 496715243 /nfs/dbraw/zinc/71/52/43/496715243.db2.gz KARWMLRYWOMBQD-KBPBESRZSA-N 1 1 351.422 3.218 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H]1c1ccccc1 ZINC000179222111 496716274 /nfs/dbraw/zinc/71/62/74/496716274.db2.gz SJTXKOIAAYYWQB-SJORKVTESA-N 1 1 359.813 3.423 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000182248360 496719048 /nfs/dbraw/zinc/71/90/48/496719048.db2.gz PHFYRLHEUDQGAM-AWEZNQCLSA-N 1 1 362.813 3.046 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCc2c(Cl)cccc2C1 ZINC000182248360 496719051 /nfs/dbraw/zinc/71/90/51/496719051.db2.gz PHFYRLHEUDQGAM-AWEZNQCLSA-N 1 1 362.813 3.046 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)C1CC1 ZINC000185322141 496728951 /nfs/dbraw/zinc/72/89/51/496728951.db2.gz VUYYYVUESSBMMI-MRXNPFEDSA-N 1 1 359.451 3.297 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000246946068 496732733 /nfs/dbraw/zinc/73/27/33/496732733.db2.gz WZXIHTDHQRVXIX-NVXWUHKLSA-N 1 1 368.437 3.498 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000246946068 496732738 /nfs/dbraw/zinc/73/27/38/496732738.db2.gz WZXIHTDHQRVXIX-NVXWUHKLSA-N 1 1 368.437 3.498 20 5 FGBDMO CCCn1ccnc1CCC[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000191500918 496786086 /nfs/dbraw/zinc/78/60/86/496786086.db2.gz YDGLFYRNXOCDTD-UHFFFAOYSA-N 1 1 357.414 3.407 20 5 FGBDMO COc1ccc(OCC[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000569175230 505868557 /nfs/dbraw/zinc/86/85/57/505868557.db2.gz FQCUOYGOISIKJX-ROUUACIJSA-N 1 1 362.426 3.016 20 5 FGBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000247422906 496855425 /nfs/dbraw/zinc/85/54/25/496855425.db2.gz NGDOFBSEDXLKMI-IGOJGBNBSA-N 1 1 367.449 3.481 20 5 FGBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N)[C@@H]1c1cccs1 ZINC000191788914 496889942 /nfs/dbraw/zinc/88/99/42/496889942.db2.gz XEGLTYKZJLBNFS-YVEFUNNKSA-N 1 1 374.466 3.051 20 5 FGBDMO COc1cc(C(=O)Nc2cccnc2-n2cc[nH+]c2C)cc([N+](=O)[O-])c1C ZINC000188929663 496950907 /nfs/dbraw/zinc/95/09/07/496950907.db2.gz KNEVYOFGDDQBIA-UHFFFAOYSA-N 1 1 367.365 3.053 20 5 FGBDMO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269479288 496955525 /nfs/dbraw/zinc/95/55/25/496955525.db2.gz VRAIOGYQPUUDDE-UHFFFAOYSA-N 1 1 373.457 3.165 20 5 FGBDMO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000269676030 496986821 /nfs/dbraw/zinc/98/68/21/496986821.db2.gz LCSWQUYXRFMSDX-LRDDRELGSA-N 1 1 363.845 3.337 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000248453840 497017696 /nfs/dbraw/zinc/01/76/96/497017696.db2.gz KCRQLZBAXAKWBH-MJGOQNOKSA-N 1 1 368.433 3.486 20 5 FGBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000248543526 497034261 /nfs/dbraw/zinc/03/42/61/497034261.db2.gz CMMIXDFDKAFAGZ-HUUCEWRRSA-N 1 1 373.428 3.474 20 5 FGBDMO CCc1ccccc1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000189196606 497040261 /nfs/dbraw/zinc/04/02/61/497040261.db2.gz FOVNHNIYLVQHGH-UHFFFAOYSA-N 1 1 353.422 3.115 20 5 FGBDMO COC[C@H]1C[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C[C@H](C)O1 ZINC000189470559 497127378 /nfs/dbraw/zinc/12/73/78/497127378.db2.gz GLYULNKKPSODMP-WMLDXEAASA-N 1 1 353.418 3.182 20 5 FGBDMO COC[C@H]1C[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C[C@H](C)O1 ZINC000189470559 497127384 /nfs/dbraw/zinc/12/73/84/497127384.db2.gz GLYULNKKPSODMP-WMLDXEAASA-N 1 1 353.418 3.182 20 5 FGBDMO CC[N@@H+](CCNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)C1CC1 ZINC000236879169 497161421 /nfs/dbraw/zinc/16/14/21/497161421.db2.gz PINUVOPVIREENO-UHFFFAOYSA-N 1 1 359.426 3.437 20 5 FGBDMO CCN(CC[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)C1CC1 ZINC000236879169 497161426 /nfs/dbraw/zinc/16/14/26/497161426.db2.gz PINUVOPVIREENO-UHFFFAOYSA-N 1 1 359.426 3.437 20 5 FGBDMO O=[N+]([O-])c1ccc2c(c1NC[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CCN2 ZINC000192956556 497259766 /nfs/dbraw/zinc/25/97/66/497259766.db2.gz ONDSZVIRGYZMJY-INIZCTEOSA-N 1 1 352.438 3.497 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC=C(c2ccccn2)C1 ZINC000569329149 505909106 /nfs/dbraw/zinc/90/91/06/505909106.db2.gz DQQDFSDMQWTPIC-UHFFFAOYSA-N 1 1 366.421 3.416 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000245976225 497588392 /nfs/dbraw/zinc/58/83/92/497588392.db2.gz OTVXVEXQPLPYLW-BHYGNILZSA-N 1 1 360.458 3.090 20 5 FGBDMO CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000578346760 505920201 /nfs/dbraw/zinc/92/02/01/505920201.db2.gz SSADMPVBBPFJMI-OAHLLOKOSA-N 1 1 356.426 3.275 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]C[C@@](C)(O)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000276761979 497645815 /nfs/dbraw/zinc/64/58/15/497645815.db2.gz HAHVOCLDPVYTGL-AZUAARDMSA-N 1 1 372.469 3.339 20 5 FGBDMO C[C@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[N@H+]1CCC[C@H](C)C1 ZINC000246172445 497646810 /nfs/dbraw/zinc/64/68/10/497646810.db2.gz ZTKNUQFCFNHYNF-JKSUJKDBSA-N 1 1 374.485 3.389 20 5 FGBDMO CNC(=O)c1ccc(N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000272959979 497771845 /nfs/dbraw/zinc/77/18/45/497771845.db2.gz NKXIZHJBDKVZQT-DZGCQCFKSA-N 1 1 360.458 3.019 20 5 FGBDMO Cc1[nH]nc(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)c1[N+](=O)[O-] ZINC000299536559 497839233 /nfs/dbraw/zinc/83/92/33/497839233.db2.gz NBAQKUBFUBBTJY-UHFFFAOYSA-N 1 1 368.397 3.247 20 5 FGBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000280763118 497888805 /nfs/dbraw/zinc/88/88/05/497888805.db2.gz BEJOWVXWWZPMES-IRXDYDNUSA-N 1 1 366.421 3.013 20 5 FGBDMO Cc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000569492178 505948192 /nfs/dbraw/zinc/94/81/92/505948192.db2.gz JSYMIDLWUHKITR-AWEZNQCLSA-N 1 1 373.375 3.184 20 5 FGBDMO Cc1ccc(C[N@H+]2CCC[C@H](CNC(=O)CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000569492185 505948274 /nfs/dbraw/zinc/94/82/74/505948274.db2.gz JSYMIDLWUHKITR-CQSZACIVSA-N 1 1 373.375 3.184 20 5 FGBDMO O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NCCC[NH+]1CCOCC1 ZINC000301056621 497931440 /nfs/dbraw/zinc/93/14/40/497931440.db2.gz KTXWAPIFGJMUCN-UHFFFAOYSA-N 1 1 367.755 3.401 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNc3ncc([N+](=O)[O-])c(N)n3)cc2)C1 ZINC000301067984 497937320 /nfs/dbraw/zinc/93/73/20/497937320.db2.gz CWZWCHFZANINOI-OKILXGFUSA-N 1 1 370.457 3.057 20 5 FGBDMO O=C(c1ccccc1)c1ccc(N2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000301072619 497939211 /nfs/dbraw/zinc/93/92/11/497939211.db2.gz HOIIURGUUAISCY-UHFFFAOYSA-N 1 1 365.433 3.358 20 5 FGBDMO CCn1cc([C@@H](C)[NH2+]Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cn1 ZINC000296162146 497939366 /nfs/dbraw/zinc/93/93/66/497939366.db2.gz SVJNSCSWLKBQGU-SNVBAGLBSA-N 1 1 370.356 3.272 20 5 FGBDMO Cc1cc(N[C@H]2CC[N@H+]3CCCC[C@H]23)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301123011 497962018 /nfs/dbraw/zinc/96/20/18/497962018.db2.gz RPXPEENRIDNUJH-DLBZAZTESA-N 1 1 353.426 3.399 20 5 FGBDMO C[C@H](NC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000292307085 497964194 /nfs/dbraw/zinc/96/41/94/497964194.db2.gz NEIPPCCLZPISBQ-GJZGRUSLSA-N 1 1 360.458 3.172 20 5 FGBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC000280977364 497972974 /nfs/dbraw/zinc/97/29/74/497972974.db2.gz PBCJURMYNBMOQF-OAHLLOKOSA-N 1 1 368.437 3.071 20 5 FGBDMO Cc1c(NC(=O)CC[N@@H+]2CCCC[C@H]2c2cc[nH]n2)cccc1[N+](=O)[O-] ZINC000285284231 498041766 /nfs/dbraw/zinc/04/17/66/498041766.db2.gz FWDZKJFQHYBOON-KRWDZBQOSA-N 1 1 357.414 3.182 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CCCC[C@H]2c2cc[nH]n2)cccc1[N+](=O)[O-] ZINC000285284231 498041770 /nfs/dbraw/zinc/04/17/70/498041770.db2.gz FWDZKJFQHYBOON-KRWDZBQOSA-N 1 1 357.414 3.182 20 5 FGBDMO CCc1cc(N(C)C[C@@H]2CCC[N@@H+](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301308723 498050556 /nfs/dbraw/zinc/05/05/56/498050556.db2.gz WVTOAWHZNVSTRC-OAHLLOKOSA-N 1 1 369.469 3.392 20 5 FGBDMO O=[N+]([O-])c1c(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)nc2sccn21 ZINC000301310366 498051160 /nfs/dbraw/zinc/05/11/60/498051160.db2.gz ZJTFMVSRKRYBMD-AWEZNQCLSA-N 1 1 357.439 3.381 20 5 FGBDMO CC1(C)C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1c1ccncc1 ZINC000292556726 498058871 /nfs/dbraw/zinc/05/88/71/498058871.db2.gz XQAXYHIGYVSLTI-SFHVURJKSA-N 1 1 354.410 3.402 20 5 FGBDMO C[C@@](CO)([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000285419012 498078356 /nfs/dbraw/zinc/07/83/56/498078356.db2.gz JOCKQYZXBFDGFA-AWEZNQCLSA-N 1 1 371.256 3.416 20 5 FGBDMO COc1ccc(C[N@H+]2CCCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)cc1 ZINC000301372219 498078722 /nfs/dbraw/zinc/07/87/22/498078722.db2.gz UAHGZQUTWKRGGU-UHFFFAOYSA-N 1 1 371.437 3.324 20 5 FGBDMO CC(C)(C)CC[NH+]1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000301512021 498143006 /nfs/dbraw/zinc/14/30/06/498143006.db2.gz DGFOYESPGZEKOR-UHFFFAOYSA-N 1 1 371.279 3.311 20 5 FGBDMO C[N@@H+]1CC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1c1ccccc1 ZINC000289437833 498147644 /nfs/dbraw/zinc/14/76/44/498147644.db2.gz STGPIGQLIMFTLU-DNVCBOLYSA-N 1 1 352.394 3.271 20 5 FGBDMO C[N@H+]1CC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1c1ccccc1 ZINC000289437833 498147646 /nfs/dbraw/zinc/14/76/46/498147646.db2.gz STGPIGQLIMFTLU-DNVCBOLYSA-N 1 1 352.394 3.271 20 5 FGBDMO COc1cc(C[NH+]2CCN(c3cc(C)ccc3[N+](=O)[O-])CC2)cc(OC)c1 ZINC000301556388 498161636 /nfs/dbraw/zinc/16/16/36/498161636.db2.gz IPVXMQNLTBYYGD-UHFFFAOYSA-N 1 1 371.437 3.243 20 5 FGBDMO COCCO[C@H]1CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000578648278 505989208 /nfs/dbraw/zinc/98/92/08/505989208.db2.gz KMICEYLXMUNANC-KRWDZBQOSA-N 1 1 360.410 3.482 20 5 FGBDMO C[N@H+]1CC[C@H]2OCCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)[C@H]2C1 ZINC000581444624 505989935 /nfs/dbraw/zinc/98/99/35/505989935.db2.gz SKTFVAUOUUHPGL-ZWKOTPCHSA-N 1 1 373.478 3.228 20 5 FGBDMO Cc1cc(C[NH+]2CCC(N(C)c3ncc([N+](=O)[O-])cc3Cl)CC2)on1 ZINC000364892570 498195014 /nfs/dbraw/zinc/19/50/14/498195014.db2.gz JWFNMNWZISVQKM-UHFFFAOYSA-N 1 1 365.821 3.040 20 5 FGBDMO Cc1nc(NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000301630556 498196516 /nfs/dbraw/zinc/19/65/16/498196516.db2.gz IVDIFMRNXQHQSS-LJQANCHMSA-N 1 1 369.469 3.089 20 5 FGBDMO Cc1nc(NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000301630556 498196518 /nfs/dbraw/zinc/19/65/18/498196518.db2.gz IVDIFMRNXQHQSS-LJQANCHMSA-N 1 1 369.469 3.089 20 5 FGBDMO Cc1nc(NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000301630556 498196525 /nfs/dbraw/zinc/19/65/25/498196525.db2.gz IVDIFMRNXQHQSS-LJQANCHMSA-N 1 1 369.469 3.089 20 5 FGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c1 ZINC000285782775 498199538 /nfs/dbraw/zinc/19/95/38/498199538.db2.gz DYSOUYUYNLOYDK-IVAOSVALSA-N 1 1 368.433 3.133 20 5 FGBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000301682810 498221424 /nfs/dbraw/zinc/22/14/24/498221424.db2.gz KJBWHNALDFDDJU-MNOVXSKESA-N 1 1 357.252 3.285 20 5 FGBDMO CCOC(=O)c1cc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000301811786 498273951 /nfs/dbraw/zinc/27/39/51/498273951.db2.gz ZSNSKBDBLDOKNP-KSSFIOAISA-N 1 1 373.453 3.225 20 5 FGBDMO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1Cc1ccccc1 ZINC000578733677 506008421 /nfs/dbraw/zinc/00/84/21/506008421.db2.gz XHJNTDBKHROANS-MRXNPFEDSA-N 1 1 373.840 3.247 20 5 FGBDMO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1Cc1ccccc1 ZINC000578733677 506008423 /nfs/dbraw/zinc/00/84/23/506008423.db2.gz XHJNTDBKHROANS-MRXNPFEDSA-N 1 1 373.840 3.247 20 5 FGBDMO Cc1cc(N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301821809 498280505 /nfs/dbraw/zinc/28/05/05/498280505.db2.gz KILQEHNWQPEGCH-RHSMWYFYSA-N 1 1 355.442 3.279 20 5 FGBDMO Cc1cc(N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301839911 498289564 /nfs/dbraw/zinc/28/95/64/498289564.db2.gz XRTZCBSEVRFICB-AEFFLSMTSA-N 1 1 367.453 3.281 20 5 FGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(OC3CCOCC3)CC2)c(Cl)c1 ZINC000360681589 498297576 /nfs/dbraw/zinc/29/75/76/498297576.db2.gz QEWGNSMAXLTFRI-UHFFFAOYSA-N 1 1 354.834 3.408 20 5 FGBDMO C[C@H](CNc1c(Br)cncc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000301902183 498320096 /nfs/dbraw/zinc/32/00/96/498320096.db2.gz WDLQLAMYDRPGRS-WDEREUQCSA-N 1 1 357.252 3.285 20 5 FGBDMO C[C@H](CNc1c(Br)cncc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000301902183 498320099 /nfs/dbraw/zinc/32/00/99/498320099.db2.gz WDLQLAMYDRPGRS-WDEREUQCSA-N 1 1 357.252 3.285 20 5 FGBDMO CC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCOC(C)(C)C1 ZINC000289912672 498349750 /nfs/dbraw/zinc/34/97/50/498349750.db2.gz TVJFEEJYWOVFNT-HNNXBMFYSA-N 1 1 360.414 3.424 20 5 FGBDMO CC(C)c1[nH]nc(C(=O)N(C)C(C)(C)C[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000331522041 498359444 /nfs/dbraw/zinc/35/94/44/498359444.db2.gz OAMCXCLHHZKGKZ-UHFFFAOYSA-N 1 1 365.478 3.168 20 5 FGBDMO Cc1cc(NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000302071169 498395672 /nfs/dbraw/zinc/39/56/72/498395672.db2.gz YOAXMGXDIVMPFD-LJQANCHMSA-N 1 1 355.438 3.472 20 5 FGBDMO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@H+](C2CCC2)C1 ZINC000293680729 498452247 /nfs/dbraw/zinc/45/22/47/498452247.db2.gz LLMCDYDMYXAGDA-GFCCVEGCSA-N 1 1 351.834 3.195 20 5 FGBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293690150 498455491 /nfs/dbraw/zinc/45/54/91/498455491.db2.gz KXFPEYGNGKVDGH-LBPRGKRZSA-N 1 1 359.348 3.218 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]C[C@@H](CO)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000293737931 498472380 /nfs/dbraw/zinc/47/23/80/498472380.db2.gz PAFJDXUJOWVLCP-PKOBYXMFSA-N 1 1 372.469 3.196 20 5 FGBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000297603988 498508153 /nfs/dbraw/zinc/50/81/53/498508153.db2.gz HHSRBHMIRUJPCJ-ZWNOBZJWSA-N 1 1 359.348 3.026 20 5 FGBDMO COc1cc2[nH+]c(NCc3cccc([N+](=O)[O-])c3C)nc(N)c2cc1OC ZINC000302700896 498537890 /nfs/dbraw/zinc/53/78/90/498537890.db2.gz HYWXWZURSRQCDG-UHFFFAOYSA-N 1 1 369.381 3.058 20 5 FGBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000362739919 498548083 /nfs/dbraw/zinc/54/80/83/498548083.db2.gz ARKKOEVHQKUJMJ-SNVBAGLBSA-N 1 1 351.204 3.085 20 5 FGBDMO Cn1cc[nH+]c1[C@H]1CCN(c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000362739918 498548596 /nfs/dbraw/zinc/54/85/96/498548596.db2.gz ARKKOEVHQKUJMJ-JTQLQIEISA-N 1 1 351.204 3.085 20 5 FGBDMO C[C@H](C(=O)Nc1cccnc1Cl)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282542396 498551670 /nfs/dbraw/zinc/55/16/70/498551670.db2.gz WGIWYASVROKHKN-GFCCVEGCSA-N 1 1 362.817 3.145 20 5 FGBDMO C[C@H](C(=O)Nc1cccnc1Cl)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282542396 498551679 /nfs/dbraw/zinc/55/16/79/498551679.db2.gz WGIWYASVROKHKN-GFCCVEGCSA-N 1 1 362.817 3.145 20 5 FGBDMO CCn1c(C)nc([N+](=O)[O-])c1NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000578931207 506053777 /nfs/dbraw/zinc/05/37/77/506053777.db2.gz WOQUXMWSKRHGSB-UHFFFAOYSA-N 1 1 357.458 3.368 20 5 FGBDMO COc1cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1[N+](=O)[O-] ZINC000302799249 498580009 /nfs/dbraw/zinc/58/00/09/498580009.db2.gz RYKFGCRBMSOFRJ-GOSISDBHSA-N 1 1 371.437 3.306 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000365671753 498591097 /nfs/dbraw/zinc/59/10/97/498591097.db2.gz FQNLFFPFDOIBOX-MAUKXSAKSA-N 1 1 357.385 3.218 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000365671753 498591106 /nfs/dbraw/zinc/59/11/06/498591106.db2.gz FQNLFFPFDOIBOX-MAUKXSAKSA-N 1 1 357.385 3.218 20 5 FGBDMO O=C(c1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000365746986 498623266 /nfs/dbraw/zinc/62/32/66/498623266.db2.gz OVDLNLXAOKMIKJ-RBUKOAKNSA-N 1 1 365.433 3.189 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1CCN(c2ccccn2)CC1 ZINC000365762450 498629388 /nfs/dbraw/zinc/62/93/88/498629388.db2.gz BGPPIXGYTMPXAD-UHFFFAOYSA-N 1 1 356.426 3.099 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)CCC(C)(C)[N+](=O)[O-])C[C@H](C)O1 ZINC000294271356 498639900 /nfs/dbraw/zinc/63/99/00/498639900.db2.gz AYEMLOXAFMNIBP-GASCZTMLSA-N 1 1 363.458 3.070 20 5 FGBDMO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)CCC(C)(C)[N+](=O)[O-])C[C@H](C)O1 ZINC000294271356 498639904 /nfs/dbraw/zinc/63/99/04/498639904.db2.gz AYEMLOXAFMNIBP-GASCZTMLSA-N 1 1 363.458 3.070 20 5 FGBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000363155959 498679088 /nfs/dbraw/zinc/67/90/88/498679088.db2.gz AGUNQXTUDFDRGI-UONOGXRCSA-N 1 1 372.450 3.075 20 5 FGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H](O)Cc1cccc(Cl)c1)CCO2 ZINC000581853623 506074047 /nfs/dbraw/zinc/07/40/47/506074047.db2.gz NCNIMLDVMZNDAB-KRWDZBQOSA-N 1 1 362.813 3.046 20 5 FGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)Cc1cccc(Cl)c1)CCO2 ZINC000581853623 506074050 /nfs/dbraw/zinc/07/40/50/506074050.db2.gz NCNIMLDVMZNDAB-KRWDZBQOSA-N 1 1 362.813 3.046 20 5 FGBDMO O=C(C[N@H+]1CCC[C@@]2(CC=CCC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000303577997 498692559 /nfs/dbraw/zinc/69/25/59/498692559.db2.gz OFOXNJPEYNFMLZ-FQEVSTJZSA-N 1 1 355.438 3.306 20 5 FGBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C1 ZINC000294784663 498804009 /nfs/dbraw/zinc/80/40/09/498804009.db2.gz BBWXCDMGVQMSOB-ZDUSSCGKSA-N 1 1 353.850 3.361 20 5 FGBDMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000291184721 498833562 /nfs/dbraw/zinc/83/35/62/498833562.db2.gz ONGYKFPPGQMAHN-SSRYDLFMSA-N 1 1 362.470 3.280 20 5 FGBDMO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000298733484 498864197 /nfs/dbraw/zinc/86/41/97/498864197.db2.gz OCBBFDLGIYODMK-CQSZACIVSA-N 1 1 362.451 3.234 20 5 FGBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000295007431 498877912 /nfs/dbraw/zinc/87/79/12/498877912.db2.gz CLLHHPNSBUUCFL-LBPRGKRZSA-N 1 1 373.375 3.321 20 5 FGBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000295517063 499040168 /nfs/dbraw/zinc/04/01/68/499040168.db2.gz MBGAXMQEBIVTPO-UHFFFAOYSA-N 1 1 353.382 3.259 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000363951462 499063450 /nfs/dbraw/zinc/06/34/50/499063450.db2.gz GZGHARBSZAWHIA-MRXNPFEDSA-N 1 1 357.410 3.315 20 5 FGBDMO C[N@H+]1CC[C@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000363958236 499067150 /nfs/dbraw/zinc/06/71/50/499067150.db2.gz CEOQQCADVWXAQD-BDJLRTHQSA-N 1 1 363.414 3.218 20 5 FGBDMO Cc1nc(CN(C)[C@H]2CCC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)no1 ZINC000370223164 499198862 /nfs/dbraw/zinc/19/88/62/499198862.db2.gz APQOUOOFCXWGAF-KRWDZBQOSA-N 1 1 373.457 3.081 20 5 FGBDMO Cc1n[nH]cc1C1CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000367458592 499201257 /nfs/dbraw/zinc/20/12/57/499201257.db2.gz MQHCHBOHBXNJIY-CQSZACIVSA-N 1 1 371.441 3.141 20 5 FGBDMO CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000370367463 499213746 /nfs/dbraw/zinc/21/37/46/499213746.db2.gz VHFYWWGCNYTERM-AWEZNQCLSA-N 1 1 373.413 3.059 20 5 FGBDMO O=C(NCc1c[nH+]c2n1CCCC2)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000367584388 499214908 /nfs/dbraw/zinc/21/49/08/499214908.db2.gz ASWKDVMPCNYCEU-UHFFFAOYSA-N 1 1 369.208 3.364 20 5 FGBDMO Cc1ccccc1C1(O)CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000370478700 499224434 /nfs/dbraw/zinc/22/44/34/499224434.db2.gz WGYOGDQBTMOVQK-UHFFFAOYSA-N 1 1 371.393 3.295 20 5 FGBDMO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000367735708 499229348 /nfs/dbraw/zinc/22/93/48/499229348.db2.gz BXVHTBHIBHKDEY-BVPBIZIASA-N 1 1 370.453 3.211 20 5 FGBDMO C[N@H+]1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000368059479 499260501 /nfs/dbraw/zinc/26/05/01/499260501.db2.gz RFDHFCCEIIBJDD-SJLPKXTDSA-N 1 1 356.382 3.038 20 5 FGBDMO C[N@H+]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000368059480 499260625 /nfs/dbraw/zinc/26/06/25/499260625.db2.gz RFDHFCCEIIBJDD-WMZOPIPTSA-N 1 1 356.382 3.038 20 5 FGBDMO Cc1ncc(C[N@H+]2CC[C@H](NC(=O)c3ccccc3[N+](=O)[O-])[C@H](C)C2)s1 ZINC000370960484 499275180 /nfs/dbraw/zinc/27/51/80/499275180.db2.gz GNYOIMTUXFNZAF-WBMJQRKESA-N 1 1 374.466 3.000 20 5 FGBDMO COCC[C@@H]1CCCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000368764660 499329687 /nfs/dbraw/zinc/32/96/87/499329687.db2.gz IMDBCWWEAZLJFJ-ZDUSSCGKSA-N 1 1 369.849 3.325 20 5 FGBDMO COCC[C@@H]1CCCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000368764660 499329689 /nfs/dbraw/zinc/32/96/89/499329689.db2.gz IMDBCWWEAZLJFJ-ZDUSSCGKSA-N 1 1 369.849 3.325 20 5 FGBDMO CC(C)[C@@H](O)C(C)(C)C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000582138012 506142623 /nfs/dbraw/zinc/14/26/23/506142623.db2.gz RFGRAMXXOMRBGE-IAGOWNOFSA-N 1 1 360.458 3.050 20 5 FGBDMO CNC(=O)c1ccc(NC[C@@H]2CC[N@@H+](C)[C@@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000369562156 499418164 /nfs/dbraw/zinc/41/81/64/499418164.db2.gz XQMFBFNXKIYDSW-GUYCJALGSA-N 1 1 374.466 3.121 20 5 FGBDMO C[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H]1c1cccs1 ZINC000369567321 499419310 /nfs/dbraw/zinc/41/93/10/499419310.db2.gz HOHQIZZCYAZXEI-BDJLRTHQSA-N 1 1 363.414 3.218 20 5 FGBDMO CC(C)C[N@H+]1CCCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000369582339 499422405 /nfs/dbraw/zinc/42/24/05/499422405.db2.gz AVXFNRYRWWVPII-UHFFFAOYSA-N 1 1 372.469 3.456 20 5 FGBDMO C[N@H+]1CC[C@@H](CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H]1c1cccnc1 ZINC000372403309 499430025 /nfs/dbraw/zinc/43/00/25/499430025.db2.gz GGTLIQHWSMFAOG-GUYCJALGSA-N 1 1 374.828 3.066 20 5 FGBDMO Cn1cc[nH+]c1[C@@H]1CCCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000373060432 499449503 /nfs/dbraw/zinc/44/95/03/499449503.db2.gz TVZUSKPNBNCSJH-SNVBAGLBSA-N 1 1 355.320 3.126 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@@H](C[C@H]4CCOC4)C3)o2)cc1 ZINC000373143928 499453597 /nfs/dbraw/zinc/45/35/97/499453597.db2.gz YOOYJZMPBUDHBF-LSDHHAIUSA-N 1 1 372.425 3.283 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@]4(C3)CCCOC4)o2)c1 ZINC000375293546 499503738 /nfs/dbraw/zinc/50/37/38/499503738.db2.gz SSSCXQMMWBFWPC-IBGZPJMESA-N 1 1 357.410 3.295 20 5 FGBDMO CC(C)n1cnnc1[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000375372781 499511632 /nfs/dbraw/zinc/51/16/32/499511632.db2.gz GDBLSCMKWQAUFE-AWEZNQCLSA-N 1 1 374.401 3.055 20 5 FGBDMO CC(C)n1cnnc1[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000375372781 499511633 /nfs/dbraw/zinc/51/16/33/499511633.db2.gz GDBLSCMKWQAUFE-AWEZNQCLSA-N 1 1 374.401 3.055 20 5 FGBDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000398073406 499566066 /nfs/dbraw/zinc/56/60/66/499566066.db2.gz HSFARWWYLXBLPG-KRWDZBQOSA-N 1 1 370.453 3.063 20 5 FGBDMO COc1ccc(CN[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000406047643 499572018 /nfs/dbraw/zinc/57/20/18/499572018.db2.gz WNZRLYOVPVVRKT-FQEVSTJZSA-N 1 1 355.438 3.358 20 5 FGBDMO Cn1ccnc1[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000376045381 499578562 /nfs/dbraw/zinc/57/85/62/499578562.db2.gz WEUHRNAZGPJENU-LBPRGKRZSA-N 1 1 366.368 3.309 20 5 FGBDMO Cn1ccnc1[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000376045381 499578564 /nfs/dbraw/zinc/57/85/64/499578564.db2.gz WEUHRNAZGPJENU-LBPRGKRZSA-N 1 1 366.368 3.309 20 5 FGBDMO CC(C)c1nc2c([nH]1)CC[C@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])C2 ZINC000376621653 499623946 /nfs/dbraw/zinc/62/39/46/499623946.db2.gz GCMKBJFDRJFZNI-ZDUSSCGKSA-N 1 1 356.426 3.205 20 5 FGBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000377056886 499657684 /nfs/dbraw/zinc/65/76/84/499657684.db2.gz NFOHNQPDGNLSGB-GJZGRUSLSA-N 1 1 361.445 3.038 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000377945768 499749912 /nfs/dbraw/zinc/74/99/12/499749912.db2.gz QTHWRVBUFNFENG-UHFFFAOYSA-N 1 1 357.439 3.318 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]CC(C)(C)c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000414325418 499777833 /nfs/dbraw/zinc/77/78/33/499777833.db2.gz CSRLSPDWSLIQDZ-GOSISDBHSA-N 1 1 365.437 3.380 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CCn1c[nH+]c2c1C[C@@H](C)[C@H](C)C2 ZINC000411781951 499789819 /nfs/dbraw/zinc/78/98/19/499789819.db2.gz GSGJRJUAKVPFBE-CHWSQXEVSA-N 1 1 372.425 3.200 20 5 FGBDMO O=C1C[C@@]2(CC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)Oc2ccccc21 ZINC000411994433 499811042 /nfs/dbraw/zinc/81/10/42/499811042.db2.gz ZMEFKMAUCQJYDX-HXUWFJFHSA-N 1 1 368.389 3.084 20 5 FGBDMO O=C1C[C@@]2(CC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)Oc2ccccc21 ZINC000411994433 499811043 /nfs/dbraw/zinc/81/10/43/499811043.db2.gz ZMEFKMAUCQJYDX-HXUWFJFHSA-N 1 1 368.389 3.084 20 5 FGBDMO CC[N@@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1occc1C ZINC000412023352 499813785 /nfs/dbraw/zinc/81/37/85/499813785.db2.gz CGXSHZLYLUOCDR-UHFFFAOYSA-N 1 1 361.398 3.356 20 5 FGBDMO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000414886098 499841476 /nfs/dbraw/zinc/84/14/76/499841476.db2.gz CHCHBBTWEAMZNY-BWTKPXILSA-N 1 1 355.413 3.482 20 5 FGBDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412339666 499846532 /nfs/dbraw/zinc/84/65/32/499846532.db2.gz CMUPTDBFRMDDOM-RBUKOAKNSA-N 1 1 371.437 3.272 20 5 FGBDMO O=[N+]([O-])c1cnc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(C(F)(F)F)c1 ZINC000413194190 499925323 /nfs/dbraw/zinc/92/53/23/499925323.db2.gz BIJRZBCIBYWWJZ-NHYWBVRUSA-N 1 1 370.375 3.462 20 5 FGBDMO C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c2ccccc2C1 ZINC000413358058 499944988 /nfs/dbraw/zinc/94/49/88/499944988.db2.gz FENCBHPNUQBURV-ZWKOTPCHSA-N 1 1 351.406 3.177 20 5 FGBDMO C[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c2ccccc2C1 ZINC000413358058 499944989 /nfs/dbraw/zinc/94/49/89/499944989.db2.gz FENCBHPNUQBURV-ZWKOTPCHSA-N 1 1 351.406 3.177 20 5 FGBDMO O=C(CC[N@H+]1CCc2ccccc2C1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000416204642 499981163 /nfs/dbraw/zinc/98/11/63/499981163.db2.gz PNNAXBVWUQEKCN-UHFFFAOYSA-N 1 1 373.840 3.313 20 5 FGBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)Cc2ccccc2O1 ZINC000429155859 500015222 /nfs/dbraw/zinc/01/52/22/500015222.db2.gz CUVUUOHIFDKSNP-AWEZNQCLSA-N 1 1 355.394 3.207 20 5 FGBDMO COc1cc(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000425276434 500062888 /nfs/dbraw/zinc/06/28/88/500062888.db2.gz PFVWVZFWVCCCEG-QFBILLFUSA-N 1 1 353.422 3.314 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425549964 500143107 /nfs/dbraw/zinc/14/31/07/500143107.db2.gz HZLQBBCNSWXYIE-LJQANCHMSA-N 1 1 373.453 3.123 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425549964 500143114 /nfs/dbraw/zinc/14/31/14/500143114.db2.gz HZLQBBCNSWXYIE-LJQANCHMSA-N 1 1 373.453 3.123 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CN1CCCC1=O)c1ccccc1 ZINC000430226893 500212050 /nfs/dbraw/zinc/21/20/50/500212050.db2.gz NXQWGJMZXINVHB-SFHVURJKSA-N 1 1 369.421 3.057 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCSCc3ccccc3)C2)nc1 ZINC000430748998 500279305 /nfs/dbraw/zinc/27/93/05/500279305.db2.gz HHYHBBHSFKMRPC-MRXNPFEDSA-N 1 1 358.467 3.409 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCSC3(CCCCC3)C2)c1 ZINC000430767055 500282036 /nfs/dbraw/zinc/28/20/36/500282036.db2.gz WLYFIUANCAQTIQ-MRXNPFEDSA-N 1 1 366.483 3.086 20 5 FGBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000426897135 500334673 /nfs/dbraw/zinc/33/46/73/500334673.db2.gz FCBPWMABWJSSSA-CQSZACIVSA-N 1 1 363.458 3.234 20 5 FGBDMO CCc1ccccc1[C@H]([NH3+])CN[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423496891 500379483 /nfs/dbraw/zinc/37/94/83/500379483.db2.gz FSQVOFYRNSXFMT-IFXJQAMLSA-N 1 1 370.453 3.164 20 5 FGBDMO CCOc1ccc([C@@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000432411983 500513069 /nfs/dbraw/zinc/51/30/69/500513069.db2.gz DDHXLFBFTCRNMF-JKSUJKDBSA-N 1 1 365.474 3.145 20 5 FGBDMO CCOc1ccc([C@@H](C)[NH2+]CCCN2CCCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000432411983 500513071 /nfs/dbraw/zinc/51/30/71/500513071.db2.gz DDHXLFBFTCRNMF-JKSUJKDBSA-N 1 1 365.474 3.145 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@H](CCO)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000421017499 500555061 /nfs/dbraw/zinc/55/50/61/500555061.db2.gz NJCGTQYNTMGPNZ-LBPRGKRZSA-N 1 1 374.384 3.189 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421021412 500557316 /nfs/dbraw/zinc/55/73/16/500557316.db2.gz SOIQMRMFWJUFSC-STQMWFEESA-N 1 1 369.849 3.060 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@H](CCO)CC1 ZINC000421021412 500557319 /nfs/dbraw/zinc/55/73/19/500557319.db2.gz SOIQMRMFWJUFSC-STQMWFEESA-N 1 1 369.849 3.060 20 5 FGBDMO COC(=O)[C@]1(c2ccccc2)CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000428810340 500560417 /nfs/dbraw/zinc/56/04/17/500560417.db2.gz XSEZMRSVJIEZBH-MGPUTAFESA-N 1 1 354.406 3.473 20 5 FGBDMO C[C@H]1C[N@@H+](CCCNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CCCO1 ZINC000432874770 500582572 /nfs/dbraw/zinc/58/25/72/500582572.db2.gz CBUSYFSDCOFRGU-LBPRGKRZSA-N 1 1 359.373 3.109 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433055034 500614471 /nfs/dbraw/zinc/61/44/71/500614471.db2.gz XCCBXHMUTCTTIQ-ZWKOTPCHSA-N 1 1 356.422 3.214 20 5 FGBDMO CCc1ccc([C@@H]([NH2+]CC2([S@](C)=O)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000442800039 500627442 /nfs/dbraw/zinc/62/74/42/500627442.db2.gz JOENBPFSVISWAY-GKVSMKOHSA-N 1 1 362.451 3.340 20 5 FGBDMO C[N@H+](Cc1ccc(F)c(Cl)c1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000433263681 500657598 /nfs/dbraw/zinc/65/75/98/500657598.db2.gz WUMXGFONSJCERS-CQSZACIVSA-N 1 1 368.792 3.259 20 5 FGBDMO O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437761401 500691772 /nfs/dbraw/zinc/69/17/72/500691772.db2.gz RZZDUMYEFRCNLB-SFHVURJKSA-N 1 1 374.485 3.234 20 5 FGBDMO COCC[N@@H+](C)CC[C@@H](Nc1ncc([N+](=O)[O-])s1)c1ccccc1 ZINC000443511373 500732265 /nfs/dbraw/zinc/73/22/65/500732265.db2.gz QHVNHOWTLKIDCI-CQSZACIVSA-N 1 1 350.444 3.173 20 5 FGBDMO Cn1cc[nH+]c1CC1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000448416242 500759079 /nfs/dbraw/zinc/75/90/79/500759079.db2.gz JHDXKKOTRXHYGB-UHFFFAOYSA-N 1 1 368.393 3.169 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@H+]1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000444229949 500820501 /nfs/dbraw/zinc/82/05/01/500820501.db2.gz WQPKWOOLMUYXRS-NWDGAFQWSA-N 1 1 360.439 3.387 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000444229949 500820504 /nfs/dbraw/zinc/82/05/04/500820504.db2.gz WQPKWOOLMUYXRS-NWDGAFQWSA-N 1 1 360.439 3.387 20 5 FGBDMO O=C(NC[C@H]1CCCC[N@H+]1C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000434359558 500831937 /nfs/dbraw/zinc/83/19/37/500831937.db2.gz WPDLWFWVSNEKMV-CYBMUJFWSA-N 1 1 352.822 3.387 20 5 FGBDMO C[C@H]1[C@H](NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CCC[N@H+]1C ZINC000444303042 500832483 /nfs/dbraw/zinc/83/24/83/500832483.db2.gz LHWFVBCWMSUVMR-YVEFUNNKSA-N 1 1 367.424 3.033 20 5 FGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000434416944 500839563 /nfs/dbraw/zinc/83/95/63/500839563.db2.gz RKDBLOGJBADHKB-CZUORRHYSA-N 1 1 363.483 3.209 20 5 FGBDMO Cc1cc(C[N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)ccc1F ZINC000444737265 500890957 /nfs/dbraw/zinc/89/09/57/500890957.db2.gz BHSPJWOPWZCTEH-UHFFFAOYSA-N 1 1 357.385 3.063 20 5 FGBDMO Cc1cc(C[N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)ccc1F ZINC000444737265 500890962 /nfs/dbraw/zinc/89/09/62/500890962.db2.gz BHSPJWOPWZCTEH-UHFFFAOYSA-N 1 1 357.385 3.063 20 5 FGBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCCC[C@@H]2c2cccc(Cl)c2)c1 ZINC000444797275 500903236 /nfs/dbraw/zinc/90/32/36/500903236.db2.gz CPCDOVOWCLFAHO-DLBZAZTESA-N 1 1 364.833 3.033 20 5 FGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000449042247 500909410 /nfs/dbraw/zinc/90/94/10/500909410.db2.gz QPFOIOPJTVGICJ-QGZVFWFLSA-N 1 1 368.481 3.385 20 5 FGBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445178152 500952159 /nfs/dbraw/zinc/95/21/59/500952159.db2.gz XHNZBBOGCGOOHN-AWEZNQCLSA-N 1 1 374.444 3.252 20 5 FGBDMO COc1cccc(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000435499293 500985966 /nfs/dbraw/zinc/98/59/66/500985966.db2.gz FFFDTKPVPGKLOO-HOCLYGCPSA-N 1 1 369.421 3.169 20 5 FGBDMO Cc1ccc(C)c(OCC[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000440484417 501013968 /nfs/dbraw/zinc/01/39/68/501013968.db2.gz HWYCZRAMWGFNNP-MRXNPFEDSA-N 1 1 356.426 3.172 20 5 FGBDMO CNC(=O)c1ccc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000449497679 501018685 /nfs/dbraw/zinc/01/86/85/501018685.db2.gz JBPBSNOIVLPTLJ-SFHVURJKSA-N 1 1 353.422 3.334 20 5 FGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@](C)(NCC(=O)OC(C)(C)C)C1 ZINC000440522594 501018772 /nfs/dbraw/zinc/01/87/72/501018772.db2.gz OQUNLHMTAGXWKY-LIRRHRJNSA-N 1 1 363.458 3.052 20 5 FGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@](C)(NCC(=O)OC(C)(C)C)C1 ZINC000440522594 501018774 /nfs/dbraw/zinc/01/87/74/501018774.db2.gz OQUNLHMTAGXWKY-LIRRHRJNSA-N 1 1 363.458 3.052 20 5 FGBDMO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000450391988 501109814 /nfs/dbraw/zinc/10/98/14/501109814.db2.gz NZTGBALIBWJJQQ-HNAYVOBHSA-N 1 1 369.469 3.430 20 5 FGBDMO Cn1cc[nH+]c1[C@H]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000450404401 501113716 /nfs/dbraw/zinc/11/37/16/501113716.db2.gz OFRCSECOCJGRQH-ZDUSSCGKSA-N 1 1 355.423 3.446 20 5 FGBDMO Cc1nc(N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)ncc1[N+](=O)[O-] ZINC000450414920 501116158 /nfs/dbraw/zinc/11/61/58/501116158.db2.gz ZITHBKWINHPENK-UHFFFAOYSA-N 1 1 367.453 3.186 20 5 FGBDMO COc1cc(C[NH2+]Cc2cnccc2C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000596063100 506236202 /nfs/dbraw/zinc/23/62/02/506236202.db2.gz RRFKJJPDNXDNFA-UHFFFAOYSA-N 1 1 371.315 3.316 20 5 FGBDMO CN1Cc2ccccc2[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1=O ZINC000598942831 506237442 /nfs/dbraw/zinc/23/74/42/506237442.db2.gz PCFRGCLNYFTXSM-RBUKOAKNSA-N 1 1 351.406 3.275 20 5 FGBDMO Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)o1 ZINC000446840984 501171385 /nfs/dbraw/zinc/17/13/85/501171385.db2.gz KXEHBQPPJJOQOW-UHFFFAOYSA-N 1 1 352.354 3.052 20 5 FGBDMO Cn1cc[nH+]c1CC1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450316752 501231885 /nfs/dbraw/zinc/23/18/85/501231885.db2.gz FZBRCISRJKUKIU-UHFFFAOYSA-N 1 1 351.410 3.336 20 5 FGBDMO O=[N+]([O-])c1cccc([C@H](NC[C@@H]2CCC[N@@H+]2CCCO)c2ccccc2)c1 ZINC000453272458 501304565 /nfs/dbraw/zinc/30/45/65/501304565.db2.gz UYCFTQOKKDOZEC-LEWJYISDSA-N 1 1 369.465 3.121 20 5 FGBDMO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@@H]2CCCN2CCCO)c2ccccc2)c1 ZINC000453272458 501304569 /nfs/dbraw/zinc/30/45/69/501304569.db2.gz UYCFTQOKKDOZEC-LEWJYISDSA-N 1 1 369.465 3.121 20 5 FGBDMO O=C(C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)NCc1ccccc1 ZINC000451546758 501318978 /nfs/dbraw/zinc/31/89/78/501318978.db2.gz JSHWDKNACOZAPH-GOSISDBHSA-N 1 1 353.422 3.091 20 5 FGBDMO O=C(C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)NCc1ccccc1 ZINC000451546758 501318980 /nfs/dbraw/zinc/31/89/80/501318980.db2.gz JSHWDKNACOZAPH-GOSISDBHSA-N 1 1 353.422 3.091 20 5 FGBDMO COCC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1c(C)nn(C)c1C ZINC000453608782 501360400 /nfs/dbraw/zinc/36/04/00/501360400.db2.gz HOVVPOYLWMULAI-VQHVLOKHSA-N 1 1 358.442 3.107 20 5 FGBDMO COCC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1c(C)nn(C)c1C ZINC000453608782 501360402 /nfs/dbraw/zinc/36/04/02/501360402.db2.gz HOVVPOYLWMULAI-VQHVLOKHSA-N 1 1 358.442 3.107 20 5 FGBDMO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000451769986 501369008 /nfs/dbraw/zinc/36/90/08/501369008.db2.gz BZHSQXQMMASKMP-DFBGVHRSSA-N 1 1 374.397 3.027 20 5 FGBDMO C[N@H+]1CCC[C@H](CCNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC000458234198 501400153 /nfs/dbraw/zinc/40/01/53/501400153.db2.gz XLJXAJSUMUIVJP-OAHLLOKOSA-N 1 1 368.437 3.119 20 5 FGBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602665271 506252131 /nfs/dbraw/zinc/25/21/31/506252131.db2.gz GMGOACCUECJHCL-BXKDBHETSA-N 1 1 362.293 3.191 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000458523359 501465838 /nfs/dbraw/zinc/46/58/38/501465838.db2.gz WBJACDANDBQQHD-HIFRSBDPSA-N 1 1 360.458 3.090 20 5 FGBDMO Cc1cccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000456346805 501505508 /nfs/dbraw/zinc/50/55/08/501505508.db2.gz SWFDBSAEGSUBRN-MRXNPFEDSA-N 1 1 367.449 3.497 20 5 FGBDMO C[N@H+]1CCC[C@@H](CCNC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000459313739 501629212 /nfs/dbraw/zinc/62/92/12/501629212.db2.gz ORLXJIXXGDULIX-WMZOPIPTSA-N 1 1 374.485 3.216 20 5 FGBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC3(CCCCC3)[C@@H]2c2ccccc2)c1 ZINC000459760214 501709855 /nfs/dbraw/zinc/70/98/55/501709855.db2.gz WPYFPYFTZYOBEG-OALUTQOASA-N 1 1 370.453 3.160 20 5 FGBDMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467221086 501743007 /nfs/dbraw/zinc/74/30/07/501743007.db2.gz ZIRZEVFSTVHVTO-IUODEOHRSA-N 1 1 366.849 3.016 20 5 FGBDMO CN(CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474217037 501748136 /nfs/dbraw/zinc/74/81/36/501748136.db2.gz YKOBASHOBVRAPL-IBGZPJMESA-N 1 1 355.438 3.180 20 5 FGBDMO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000474217037 501748139 /nfs/dbraw/zinc/74/81/39/501748139.db2.gz YKOBASHOBVRAPL-IBGZPJMESA-N 1 1 355.438 3.180 20 5 FGBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000474217037 501748143 /nfs/dbraw/zinc/74/81/43/501748143.db2.gz YKOBASHOBVRAPL-IBGZPJMESA-N 1 1 355.438 3.180 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)NC[C@H]2CC[N@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000598999095 506271237 /nfs/dbraw/zinc/27/12/37/506271237.db2.gz DWLVBBKNQZFADQ-WMLDXEAASA-N 1 1 360.458 3.280 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000485202030 501754529 /nfs/dbraw/zinc/75/45/29/501754529.db2.gz WZFJZYXFCPNWKG-AWEZNQCLSA-N 1 1 357.410 3.110 20 5 FGBDMO COC[C@H]1CCCC[N@@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000467311266 501767749 /nfs/dbraw/zinc/76/77/49/501767749.db2.gz OOTUMMFROWPHGQ-LBPRGKRZSA-N 1 1 374.384 3.453 20 5 FGBDMO Cc1c(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000481469473 501784875 /nfs/dbraw/zinc/78/48/75/501784875.db2.gz YHERINNMBUURMR-IBGZPJMESA-N 1 1 353.422 3.184 20 5 FGBDMO COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000481522323 501800845 /nfs/dbraw/zinc/80/08/45/501800845.db2.gz PXZNUXSIFJGBFK-XJKSGUPXSA-N 1 1 373.409 3.066 20 5 FGBDMO COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000481522323 501800848 /nfs/dbraw/zinc/80/08/48/501800848.db2.gz PXZNUXSIFJGBFK-XJKSGUPXSA-N 1 1 373.409 3.066 20 5 FGBDMO O=[N+]([O-])c1ccc(OCCN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000471026123 501894762 /nfs/dbraw/zinc/89/47/62/501894762.db2.gz UHGCAVKNTGQCSI-KDURUIRLSA-N 1 1 367.449 3.037 20 5 FGBDMO CC1CC(n2nnc3c2C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC3)C1 ZINC000602739949 506280902 /nfs/dbraw/zinc/28/09/02/506280902.db2.gz NVNSEEHLBMFKOL-XQRVVYSFSA-N 1 1 353.426 3.229 20 5 FGBDMO CC1CC(n2nnc3c2C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC3)C1 ZINC000602739949 506280907 /nfs/dbraw/zinc/28/09/07/506280907.db2.gz NVNSEEHLBMFKOL-XQRVVYSFSA-N 1 1 353.426 3.229 20 5 FGBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccc([N+](=O)[O-])n3C)cc2)C1 ZINC000478319148 501942483 /nfs/dbraw/zinc/94/24/83/501942483.db2.gz YESRMTJQEVRBGX-OAHLLOKOSA-N 1 1 370.453 3.095 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000478342123 501948849 /nfs/dbraw/zinc/94/88/49/501948849.db2.gz NEIANQBHYDAHFV-HNNXBMFYSA-N 1 1 362.474 3.050 20 5 FGBDMO CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(NCc2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000485835356 501956587 /nfs/dbraw/zinc/95/65/87/501956587.db2.gz QXWBSLWBDCZPSP-YJBOKZPZSA-N 1 1 371.441 3.034 20 5 FGBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000485998793 502015086 /nfs/dbraw/zinc/01/50/86/502015086.db2.gz ZNMAMYCHPMNKCZ-LBPRGKRZSA-N 1 1 373.375 3.303 20 5 FGBDMO C[N@H+]1CCC[C@H]2CN(c3c(Br)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000596167919 506289265 /nfs/dbraw/zinc/28/92/65/506289265.db2.gz IUDRSFLQBUQBND-WCQYABFASA-N 1 1 354.248 3.278 20 5 FGBDMO C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@H]1c1ccc(Cl)cc1 ZINC000596180907 506296787 /nfs/dbraw/zinc/29/67/87/506296787.db2.gz ZVAMSSNRWCABQR-NVXWUHKLSA-N 1 1 374.828 3.204 20 5 FGBDMO CO[C@]1(C)C[C@@H]([N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000464818950 502105437 /nfs/dbraw/zinc/10/54/37/502105437.db2.gz ALVIKMAGOXUZPP-VQIMIIECSA-N 1 1 363.458 3.367 20 5 FGBDMO CCC[C@@]1(C)CCC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000464846524 502117019 /nfs/dbraw/zinc/11/70/19/502117019.db2.gz KCGCNGBQBUYJPV-SFHVURJKSA-N 1 1 363.414 3.164 20 5 FGBDMO CCC[C@@]1(C)CCC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000464846524 502117021 /nfs/dbraw/zinc/11/70/21/502117021.db2.gz KCGCNGBQBUYJPV-SFHVURJKSA-N 1 1 363.414 3.164 20 5 FGBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](c2ccco2)C1 ZINC000464856945 502124203 /nfs/dbraw/zinc/12/42/03/502124203.db2.gz NDBYFBSSDPPXPS-KYJSFNMBSA-N 1 1 360.410 3.401 20 5 FGBDMO Cc1cc(N[C@H](C)[C@H](C)[NH+]2CCOCC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461783337 502200723 /nfs/dbraw/zinc/20/07/23/502200723.db2.gz DRXTXZLNBOCDRW-NEPJUHHUSA-N 1 1 361.364 3.443 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+](CC)C1 ZINC000486608915 502206978 /nfs/dbraw/zinc/20/69/78/502206978.db2.gz WKFAYKGCYQUHIV-CYBMUJFWSA-N 1 1 351.472 3.169 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000475614188 502228206 /nfs/dbraw/zinc/22/82/06/502228206.db2.gz FLNJSDWZJVOLHJ-OAHLLOKOSA-N 1 1 364.442 3.405 20 5 FGBDMO Cc1cc(N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000461946769 502247929 /nfs/dbraw/zinc/24/79/29/502247929.db2.gz HVOQPCOLUXSPNR-QLFBSQMISA-N 1 1 351.422 3.120 20 5 FGBDMO Cc1cc(N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000461946769 502247931 /nfs/dbraw/zinc/24/79/31/502247931.db2.gz HVOQPCOLUXSPNR-QLFBSQMISA-N 1 1 351.422 3.120 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@H](C)c2cccc(O)c2)cc1[N+](=O)[O-] ZINC000475704536 502258283 /nfs/dbraw/zinc/25/82/83/502258283.db2.gz HKQWNIUVIXJDOJ-CYBMUJFWSA-N 1 1 374.393 3.045 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@@]3(CC=CCC3)C2)cc1[N+](=O)[O-] ZINC000475718633 502263191 /nfs/dbraw/zinc/26/31/91/502263191.db2.gz YMSPDTOLBNEPIS-FQEVSTJZSA-N 1 1 374.437 3.469 20 5 FGBDMO C[C@H]1[C@H](Cc2ccccc2)CC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000472338997 502320927 /nfs/dbraw/zinc/32/09/27/502320927.db2.gz AWJQAWNPUTVBHE-HOCLYGCPSA-N 1 1 353.422 3.147 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000465610680 502324853 /nfs/dbraw/zinc/32/48/53/502324853.db2.gz UKRTULPJADJRSY-MRXNPFEDSA-N 1 1 362.474 3.091 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000462169432 502332950 /nfs/dbraw/zinc/33/29/50/502332950.db2.gz ZXSUJMCDWMCVBR-YJBOKZPZSA-N 1 1 353.422 3.154 20 5 FGBDMO Cc1c(CNC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000479776492 502374592 /nfs/dbraw/zinc/37/45/92/502374592.db2.gz ZXRYCFCHGFSYPV-RDJZCZTQSA-N 1 1 374.485 3.355 20 5 FGBDMO COc1cc(NCCC[N@H+]2CCCO[C@@H](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596210072 506310558 /nfs/dbraw/zinc/31/05/58/506310558.db2.gz XBHHBTYRPHBIJA-LBPRGKRZSA-N 1 1 357.838 3.170 20 5 FGBDMO C[C@H](c1ccsc1)[NH+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000462452384 502444256 /nfs/dbraw/zinc/44/42/56/502444256.db2.gz QCRRHVHDKYWOKF-OAHLLOKOSA-N 1 1 361.467 3.414 20 5 FGBDMO COc1c(C(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000476514215 502510676 /nfs/dbraw/zinc/51/06/76/502510676.db2.gz XCZGRZKUMNCYKK-UHFFFAOYSA-N 1 1 371.437 3.244 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000462986493 502650424 /nfs/dbraw/zinc/65/04/24/502650424.db2.gz GQPBIUCCACWUBM-QZTJIDSGSA-N 1 1 361.486 3.496 20 5 FGBDMO CCC1CCC([N@@H+](CCO)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000488195991 502653587 /nfs/dbraw/zinc/65/35/87/502653587.db2.gz RFXHJMXCBDJCCV-UHFFFAOYSA-N 1 1 374.441 3.408 20 5 FGBDMO Cc1cccc(N2CCC(NC(=O)Nc3cc(F)cc([N+](=O)[O-])c3)CC2)[nH+]1 ZINC000470140216 502674797 /nfs/dbraw/zinc/67/47/97/502674797.db2.gz IISUJCVQWMUSBI-UHFFFAOYSA-N 1 1 373.388 3.228 20 5 FGBDMO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000470146670 502677963 /nfs/dbraw/zinc/67/79/63/502677963.db2.gz KTKHGEUFRWAOHB-IAISJRAMSA-N 1 1 371.462 3.409 20 5 FGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCN(c2cccnn2)CC1 ZINC000470172791 502693768 /nfs/dbraw/zinc/69/37/68/502693768.db2.gz CFRZQPMAEXOPOY-SSZFMOIBSA-N 1 1 353.426 3.000 20 5 FGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(CN2CCOCC2)CC1 ZINC000470174317 502694769 /nfs/dbraw/zinc/69/47/69/502694769.db2.gz JWQCWVVYURDGQC-LGMDPLHJSA-N 1 1 359.470 3.042 20 5 FGBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000470218540 502708307 /nfs/dbraw/zinc/70/83/07/502708307.db2.gz NLJJUWOXBSGLBI-AWEZNQCLSA-N 1 1 357.410 3.145 20 5 FGBDMO CC[N@@H+](CCc1ccccc1)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000488527672 502741989 /nfs/dbraw/zinc/74/19/89/502741989.db2.gz KLMRJWIYAJCTAX-OAHLLOKOSA-N 1 1 371.437 3.495 20 5 FGBDMO C[N@H+]1CC[C@]2(CCN(c3ccc([N+](=O)[O-])c(OCc4ccccc4)n3)C2)C1 ZINC000488708992 502786705 /nfs/dbraw/zinc/78/67/05/502786705.db2.gz AOVNSHMDIYJJAQ-FQEVSTJZSA-N 1 1 368.437 3.101 20 5 FGBDMO O=c1[nH]cnc2cc(NC[C@@H]3CC[N@H+]3C3CCCCC3)c([N+](=O)[O-])cc21 ZINC000599127955 506334412 /nfs/dbraw/zinc/33/44/12/506334412.db2.gz RVDORDOKSMRFLU-ZDUSSCGKSA-N 1 1 357.414 3.063 20 5 FGBDMO Cc1c[nH+]cn1C1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000505636018 502955633 /nfs/dbraw/zinc/95/56/33/502955633.db2.gz WNXXIXCCXKBHFQ-UHFFFAOYSA-N 1 1 353.382 3.058 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505901004 503009719 /nfs/dbraw/zinc/00/97/19/503009719.db2.gz KZTUZQHTWHCRCZ-HOTGVXAUSA-N 1 1 369.421 3.323 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505901004 503009723 /nfs/dbraw/zinc/00/97/23/503009723.db2.gz KZTUZQHTWHCRCZ-HOTGVXAUSA-N 1 1 369.421 3.323 20 5 FGBDMO CCc1ccc([C@@H]([NH2+]CC(C)(C)OCCO)c2ccc([N+](=O)[O-])cc2)o1 ZINC000489827492 503043521 /nfs/dbraw/zinc/04/35/21/503043521.db2.gz SHACFEZGXPNYCK-SFHVURJKSA-N 1 1 362.426 3.217 20 5 FGBDMO COc1ccc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000501627515 503051489 /nfs/dbraw/zinc/05/14/89/503051489.db2.gz NMPWYUYFIFFKGE-VMPITWQZSA-N 1 1 367.449 3.434 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]CCc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000514082454 503082634 /nfs/dbraw/zinc/08/26/34/503082634.db2.gz GYACSAXDVYJVPX-GOSISDBHSA-N 1 1 354.385 3.389 20 5 FGBDMO CC[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C)[N@H+]1CCc2ccccc2C1 ZINC000498039424 503093188 /nfs/dbraw/zinc/09/31/88/503093188.db2.gz VMVXQVNENMLAQA-SFHVURJKSA-N 1 1 367.449 3.470 20 5 FGBDMO CCOc1cc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)ccc1OC ZINC000510509670 503128844 /nfs/dbraw/zinc/12/88/44/503128844.db2.gz XJEBGMMPJFAEGF-UHFFFAOYSA-N 1 1 371.437 3.324 20 5 FGBDMO CC[N@H+]1C[C@@H](C)N(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000498251183 503142394 /nfs/dbraw/zinc/14/23/94/503142394.db2.gz KSVGTPHFMUBQDL-JKSUJKDBSA-N 1 1 362.474 3.042 20 5 FGBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1C ZINC000498572641 503215859 /nfs/dbraw/zinc/21/58/59/503215859.db2.gz QAIGCEMAZZOHAM-QWHCGFSZSA-N 1 1 374.466 3.273 20 5 FGBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@H]1C ZINC000498573911 503217100 /nfs/dbraw/zinc/21/71/00/503217100.db2.gz FRTOJOKAJRHTEX-GHMZBOCLSA-N 1 1 359.348 3.168 20 5 FGBDMO COCCn1cc(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cn1 ZINC000502589877 503233558 /nfs/dbraw/zinc/23/35/58/503233558.db2.gz ASXBZGRYHUFVOE-FQEVSTJZSA-N 1 1 366.421 3.317 20 5 FGBDMO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511071442 503247055 /nfs/dbraw/zinc/24/70/55/503247055.db2.gz FFUVBTWQTLKICW-OAHLLOKOSA-N 1 1 373.428 3.428 20 5 FGBDMO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511071442 503247057 /nfs/dbraw/zinc/24/70/57/503247057.db2.gz FFUVBTWQTLKICW-OAHLLOKOSA-N 1 1 373.428 3.428 20 5 FGBDMO C[C@]1(O)CCOC[C@@H]1[C@@H]1CCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000498759451 503258312 /nfs/dbraw/zinc/25/83/12/503258312.db2.gz VUSJYFHSHPQOBK-COXVUDFISA-N 1 1 354.834 3.000 20 5 FGBDMO Cn1c2ccc(C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc2oc1=O ZINC000507243516 503259018 /nfs/dbraw/zinc/25/90/18/503259018.db2.gz MNYSWQBGUCSQSL-UHFFFAOYSA-N 1 1 353.378 3.204 20 5 FGBDMO C[C@@H]1C[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000507279931 503267244 /nfs/dbraw/zinc/26/72/44/503267244.db2.gz KQQPFPTZTGYTCD-PBHICJAKSA-N 1 1 369.421 3.083 20 5 FGBDMO C[C@@H]1C[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000507279931 503267250 /nfs/dbraw/zinc/26/72/50/503267250.db2.gz KQQPFPTZTGYTCD-PBHICJAKSA-N 1 1 369.421 3.083 20 5 FGBDMO CC[N@H+]1C[C@H](C)N(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000498916123 503292101 /nfs/dbraw/zinc/29/21/01/503292101.db2.gz PTOUBTZELVDIRR-RYUDHWBXSA-N 1 1 373.400 3.119 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cc(-c4ccccc4)on3)C2)nc1 ZINC000503161232 503357887 /nfs/dbraw/zinc/35/78/87/503357887.db2.gz KCCRJAJATXGFSD-HNNXBMFYSA-N 1 1 365.393 3.331 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cc(-c4ccccc4)on3)C2)nc1 ZINC000503161232 503357889 /nfs/dbraw/zinc/35/78/89/503357889.db2.gz KCCRJAJATXGFSD-HNNXBMFYSA-N 1 1 365.393 3.331 20 5 FGBDMO CCOc1cc(C[N@@H+]2CCCN(c3nccs3)CC2)ccc1[N+](=O)[O-] ZINC000492533173 503373080 /nfs/dbraw/zinc/37/30/80/503373080.db2.gz IPJYVOKKAJLMDC-UHFFFAOYSA-N 1 1 362.455 3.162 20 5 FGBDMO CCOc1cc(C[N@H+]2CCCN(c3nccs3)CC2)ccc1[N+](=O)[O-] ZINC000492533173 503373084 /nfs/dbraw/zinc/37/30/84/503373084.db2.gz IPJYVOKKAJLMDC-UHFFFAOYSA-N 1 1 362.455 3.162 20 5 FGBDMO COc1cc(Cl)ccc1C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962512 506367990 /nfs/dbraw/zinc/36/79/90/506367990.db2.gz LDFVZFGNVPOKBN-QGZVFWFLSA-N 1 1 350.802 3.254 20 5 FGBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000499713090 503464059 /nfs/dbraw/zinc/46/40/59/503464059.db2.gz NLMRVDAPZPONBD-CABCVRRESA-N 1 1 365.499 3.456 20 5 FGBDMO CC(C)N1C[C@H]([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000493994877 503471621 /nfs/dbraw/zinc/47/16/21/503471621.db2.gz ATPJCAPZMTYMTJ-XLIONFOSSA-N 1 1 353.422 3.283 20 5 FGBDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000508376489 503484866 /nfs/dbraw/zinc/48/48/66/503484866.db2.gz PQYAECMSWKMJQP-GJZGRUSLSA-N 1 1 353.422 3.355 20 5 FGBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000508376489 503484869 /nfs/dbraw/zinc/48/48/69/503484869.db2.gz PQYAECMSWKMJQP-GJZGRUSLSA-N 1 1 353.422 3.355 20 5 FGBDMO COC(=O)C[C@](C)([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000516339794 503497860 /nfs/dbraw/zinc/49/78/60/503497860.db2.gz GDKFMPKYSHFYOP-IBGZPJMESA-N 1 1 358.394 3.172 20 5 FGBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000516358786 503500996 /nfs/dbraw/zinc/50/09/96/503500996.db2.gz YPEZUTQSEQXPOO-GJZGRUSLSA-N 1 1 350.463 3.384 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@H](O)[C@@H]4CCCC[C@H]43)co2)cc1 ZINC000602997964 506377226 /nfs/dbraw/zinc/37/72/26/506377226.db2.gz UYNLPVBOLZRGKC-KURKYZTESA-N 1 1 357.410 3.375 20 5 FGBDMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000512400986 503538383 /nfs/dbraw/zinc/53/83/83/503538383.db2.gz VIOSMCAHGABZEV-UHFFFAOYSA-N 1 1 364.405 3.033 20 5 FGBDMO Cn1cccc1[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500103005 503554970 /nfs/dbraw/zinc/55/49/70/503554970.db2.gz GULPMOOTSNEUQG-SFHVURJKSA-N 1 1 356.426 3.489 20 5 FGBDMO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000512543058 503580201 /nfs/dbraw/zinc/58/02/01/503580201.db2.gz YUGYMVGQHIFOJO-HNNXBMFYSA-N 1 1 363.458 3.122 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](OCC3CC3)C2)cccc1[N+](=O)[O-] ZINC000494654193 503584621 /nfs/dbraw/zinc/58/46/21/503584621.db2.gz WTYDDNXQGDJUEH-ZBFHGGJFSA-N 1 1 361.442 3.121 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](OCC3CC3)C2)cccc1[N+](=O)[O-] ZINC000494654193 503584624 /nfs/dbraw/zinc/58/46/24/503584624.db2.gz WTYDDNXQGDJUEH-ZBFHGGJFSA-N 1 1 361.442 3.121 20 5 FGBDMO COc1ccc([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000504539253 503585904 /nfs/dbraw/zinc/58/59/04/503585904.db2.gz PUPVKGCFXKMNBH-GDBMZVCRSA-N 1 1 369.421 3.420 20 5 FGBDMO COc1ccc([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000504539253 503585908 /nfs/dbraw/zinc/58/59/08/503585908.db2.gz PUPVKGCFXKMNBH-GDBMZVCRSA-N 1 1 369.421 3.420 20 5 FGBDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000500439055 503625518 /nfs/dbraw/zinc/62/55/18/503625518.db2.gz HRPVFENRFXWAFF-JKSUJKDBSA-N 1 1 353.422 3.330 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000500439055 503625520 /nfs/dbraw/zinc/62/55/20/503625520.db2.gz HRPVFENRFXWAFF-JKSUJKDBSA-N 1 1 353.422 3.330 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@H](COC(F)F)C3)o2)c1 ZINC000512821067 503639572 /nfs/dbraw/zinc/63/95/72/503639572.db2.gz AJWWBNKEKMXZJV-LBPRGKRZSA-N 1 1 367.352 3.353 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@@]3(CCCOC3)C2)c([N+](=O)[O-])cc1OC ZINC000536662132 503667785 /nfs/dbraw/zinc/66/77/85/503667785.db2.gz NTRJJTKDXWJGRG-GOSISDBHSA-N 1 1 350.415 3.005 20 5 FGBDMO CCO[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000532971393 503681197 /nfs/dbraw/zinc/68/11/97/503681197.db2.gz HVLKCIFGXWRBJW-CABCVRRESA-N 1 1 369.849 3.322 20 5 FGBDMO CCO[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000532971393 503681203 /nfs/dbraw/zinc/68/12/03/503681203.db2.gz HVLKCIFGXWRBJW-CABCVRRESA-N 1 1 369.849 3.322 20 5 FGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)n1 ZINC000533013033 503698175 /nfs/dbraw/zinc/69/81/75/503698175.db2.gz FRGBYONTZFRWNG-ZDUSSCGKSA-N 1 1 357.439 3.281 20 5 FGBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)c1 ZINC000533012740 503698931 /nfs/dbraw/zinc/69/89/31/503698931.db2.gz KAILRHUHAYXMKL-CYBMUJFWSA-N 1 1 357.439 3.281 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)c2ncc([N+](=O)[O-])c(C)c2Br)[C@H](C)C1 ZINC000543434691 503768448 /nfs/dbraw/zinc/76/84/48/503768448.db2.gz FJSNULGVVQCMLW-PWSUYJOCSA-N 1 1 371.279 3.227 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@H+](C)Cc2cccc(C)c2)c([N+](=O)[O-])c1 ZINC000533243425 503774805 /nfs/dbraw/zinc/77/48/05/503774805.db2.gz GUZNZUHVXSRIEM-UHFFFAOYSA-N 1 1 357.410 3.372 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@@H+](C)Cc2cccc(C)c2)c([N+](=O)[O-])c1 ZINC000533243425 503774811 /nfs/dbraw/zinc/77/48/11/503774811.db2.gz GUZNZUHVXSRIEM-UHFFFAOYSA-N 1 1 357.410 3.372 20 5 FGBDMO C[C@@H]1CC[N@H+](CC(=O)Nc2cc(N3CC[C@H](C)[C@H]3C)ccc2[N+](=O)[O-])[C@H]1C ZINC000533311012 503803353 /nfs/dbraw/zinc/80/33/53/503803353.db2.gz XITYDYYXJMUGQG-FXUDXRNXSA-N 1 1 374.485 3.498 20 5 FGBDMO Cc1ccccc1OCCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000533378785 503823856 /nfs/dbraw/zinc/82/38/56/503823856.db2.gz QZWZCXVRSVSOKW-INIZCTEOSA-N 1 1 356.426 3.254 20 5 FGBDMO CC[C@@H](C)[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000533426505 503840463 /nfs/dbraw/zinc/84/04/63/503840463.db2.gz JTZDJSWXRHZXJG-OCCSQVGLSA-N 1 1 363.414 3.163 20 5 FGBDMO CCOc1ccc(NC(=O)C[NH+]2CCc3ccccc3CC2)c([N+](=O)[O-])c1 ZINC000533437158 503844610 /nfs/dbraw/zinc/84/46/10/503844610.db2.gz GKLOJPCPPPZTNW-UHFFFAOYSA-N 1 1 369.421 3.033 20 5 FGBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1=CC[N@@H+](C)CC1 ZINC000540795518 503894897 /nfs/dbraw/zinc/89/48/97/503894897.db2.gz LURNJWVOJJNXMS-UHFFFAOYSA-N 1 1 363.483 3.479 20 5 FGBDMO COc1cc(C[N@H+]2CCCC[C@H]2C2(O)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000518331846 503954119 /nfs/dbraw/zinc/95/41/19/503954119.db2.gz HPBAAURKZFUZFX-HNNXBMFYSA-N 1 1 372.368 3.084 20 5 FGBDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000533830641 503964770 /nfs/dbraw/zinc/96/47/70/503964770.db2.gz AMLQEXUMCARMOF-LJQANCHMSA-N 1 1 368.437 3.090 20 5 FGBDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000533830641 503964772 /nfs/dbraw/zinc/96/47/72/503964772.db2.gz AMLQEXUMCARMOF-LJQANCHMSA-N 1 1 368.437 3.090 20 5 FGBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000518410842 503976874 /nfs/dbraw/zinc/97/68/74/503976874.db2.gz YYGLFFTVSIZNTR-OAHLLOKOSA-N 1 1 362.474 3.024 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000537648920 503992741 /nfs/dbraw/zinc/99/27/41/503992741.db2.gz YNGHTNGRUOHRKM-ZDUSSCGKSA-N 1 1 350.415 3.157 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000537648920 503992744 /nfs/dbraw/zinc/99/27/44/503992744.db2.gz YNGHTNGRUOHRKM-ZDUSSCGKSA-N 1 1 350.415 3.157 20 5 FGBDMO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc([S@](C)=O)cc1 ZINC000541118536 504014785 /nfs/dbraw/zinc/01/47/85/504014785.db2.gz XQVXSVQXTIVPEE-NDHGSNPTSA-N 1 1 359.407 3.324 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cc(Cl)cc4c3OCC4)C2)nc1 ZINC000541223753 504049793 /nfs/dbraw/zinc/04/97/93/504049793.db2.gz KINDKVCTIHGIRQ-HNNXBMFYSA-N 1 1 374.828 3.265 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cc(Cl)cc4c3OCC4)C2)nc1 ZINC000541223753 504049797 /nfs/dbraw/zinc/04/97/97/504049797.db2.gz KINDKVCTIHGIRQ-HNNXBMFYSA-N 1 1 374.828 3.265 20 5 FGBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000534279867 504093435 /nfs/dbraw/zinc/09/34/35/504093435.db2.gz DDDOMXVCKKDFGI-CQSZACIVSA-N 1 1 365.499 3.415 20 5 FGBDMO COC(=O)c1cc(N[C@H]2C[N@@H+](C)Cc3ccccc32)cc(C)c1[N+](=O)[O-] ZINC000534530970 504167870 /nfs/dbraw/zinc/16/78/70/504167870.db2.gz SAUFLYCCKOSNLK-KRWDZBQOSA-N 1 1 355.394 3.288 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)c1 ZINC000538401380 504236220 /nfs/dbraw/zinc/23/62/20/504236220.db2.gz YAIXVPQHWIXPSI-CVEARBPZSA-N 1 1 363.458 3.051 20 5 FGBDMO CCC[C@H]1[C@H](C)CCC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000542208787 504406856 /nfs/dbraw/zinc/40/68/56/504406856.db2.gz CCXHKEAIYYUMHW-PBHICJAKSA-N 1 1 354.472 3.269 20 5 FGBDMO CCC[C@H]1[C@H](C)CCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000542208787 504406860 /nfs/dbraw/zinc/40/68/60/504406860.db2.gz CCXHKEAIYYUMHW-PBHICJAKSA-N 1 1 354.472 3.269 20 5 FGBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2C2CCCCC2)cc1 ZINC000542209981 504407344 /nfs/dbraw/zinc/40/73/44/504407344.db2.gz WBTKKGKDFGGURA-GOSISDBHSA-N 1 1 366.483 3.413 20 5 FGBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000520186071 504430339 /nfs/dbraw/zinc/43/03/39/504430339.db2.gz YFUCIRIMPPAFGS-GOSISDBHSA-N 1 1 353.422 3.123 20 5 FGBDMO Cc1ccc(C[C@H](C)[N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000542280168 504437665 /nfs/dbraw/zinc/43/76/65/504437665.db2.gz MVFAXXSFLPWBOK-FUHWJXTLSA-N 1 1 358.438 3.206 20 5 FGBDMO Cc1[nH+]ccn1CCCNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000548443759 504447359 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Cc1nn(-c2ccccn2)c(C)c1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000559073846 504774628 /nfs/dbraw/zinc/77/46/28/504774628.db2.gz YFMMBNIVJFQCNX-UHFFFAOYSA-N 1 1 365.437 3.467 20 5 FGBDMO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000559253434 504809086 /nfs/dbraw/zinc/80/90/86/504809086.db2.gz CRRVDCMCTLXNTO-UHFFFAOYSA-N 1 1 374.485 3.121 20 5 FGBDMO Cc1cccc([C@H](C)[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000559449528 504865633 /nfs/dbraw/zinc/86/56/33/504865633.db2.gz GTBJYLNGVYJBRK-INIZCTEOSA-N 1 1 353.422 3.422 20 5 FGBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000553350829 504891255 /nfs/dbraw/zinc/89/12/55/504891255.db2.gz JPLIXOJDPDBTEZ-INIZCTEOSA-N 1 1 368.437 3.261 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]CCCc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000556887212 505006631 /nfs/dbraw/zinc/00/66/31/505006631.db2.gz UBRHOJWXCYSJMM-SFHVURJKSA-N 1 1 351.410 3.035 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]CCCc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000556887211 505007135 /nfs/dbraw/zinc/00/71/35/505007135.db2.gz UBRHOJWXCYSJMM-GOSISDBHSA-N 1 1 351.410 3.035 20 5 FGBDMO C[C@@H]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000556903671 505013062 /nfs/dbraw/zinc/01/30/62/505013062.db2.gz FESVSTCVTLLXCI-MRXNPFEDSA-N 1 1 355.438 3.397 20 5 FGBDMO C[C@@H]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000556903671 505013064 /nfs/dbraw/zinc/01/30/64/505013064.db2.gz FESVSTCVTLLXCI-MRXNPFEDSA-N 1 1 355.438 3.397 20 5 FGBDMO COc1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000557964687 505273690 /nfs/dbraw/zinc/27/36/90/505273690.db2.gz ISKUSQVHCHFNPH-QGZVFWFLSA-N 1 1 370.409 3.124 20 5 FGBDMO COc1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000557964687 505273693 /nfs/dbraw/zinc/27/36/93/505273693.db2.gz ISKUSQVHCHFNPH-QGZVFWFLSA-N 1 1 370.409 3.124 20 5 FGBDMO Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000563920054 505276447 /nfs/dbraw/zinc/27/64/47/505276447.db2.gz TWOLLHFJKYPCAA-UHFFFAOYSA-N 1 1 364.405 3.484 20 5 FGBDMO Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000563920054 505276448 /nfs/dbraw/zinc/27/64/48/505276448.db2.gz TWOLLHFJKYPCAA-UHFFFAOYSA-N 1 1 364.405 3.484 20 5 FGBDMO CC[C@H](C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)[N@@H+](C)Cc1ccccc1 ZINC000563923799 505277239 /nfs/dbraw/zinc/27/72/39/505277239.db2.gz YDMSDSGXCAYUJG-LJQANCHMSA-N 1 1 367.449 3.390 20 5 FGBDMO C[C@@H]1CC[C@H]([N@@H+](CCO)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000554935888 505303839 /nfs/dbraw/zinc/30/38/39/505303839.db2.gz YSDCPAFWJATTIV-ZBFHGGJFSA-N 1 1 359.426 3.275 20 5 FGBDMO O=C(NCc1c[nH+]c2n1CCCC2)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000551975806 505359196 /nfs/dbraw/zinc/35/91/96/505359196.db2.gz AREYQXAHIOMFNI-UHFFFAOYSA-N 1 1 368.315 3.076 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCO[C@@]4(CCCOC4)C3)o2)cc1 ZINC000564312170 505379768 /nfs/dbraw/zinc/37/97/68/505379768.db2.gz DZRACTLLANWREK-IBGZPJMESA-N 1 1 358.394 3.236 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCO[C@@]4(CCCOC4)C3)o2)cc1 ZINC000564312170 505379771 /nfs/dbraw/zinc/37/97/71/505379771.db2.gz DZRACTLLANWREK-IBGZPJMESA-N 1 1 358.394 3.236 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]CCC[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000552066097 505389160 /nfs/dbraw/zinc/38/91/60/505389160.db2.gz ZKDHQIYILRFCSY-ZWKOTPCHSA-N 1 1 358.442 3.357 20 5 FGBDMO Cc1cc(NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000567301532 505422080 /nfs/dbraw/zinc/42/20/80/505422080.db2.gz VLWPERZQBLOOES-JKSUJKDBSA-N 1 1 369.469 3.457 20 5 FGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCCN3c4ccccc4C[C@@H]3C2)c1 ZINC000567401518 505451836 /nfs/dbraw/zinc/45/18/36/505451836.db2.gz KMNNNTZMLIOSCI-GOSISDBHSA-N 1 1 353.422 3.111 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1c1cccnc1 ZINC000561866678 505455120 /nfs/dbraw/zinc/45/51/20/505455120.db2.gz IXBDBJYIQDRRFG-KRWDZBQOSA-N 1 1 370.409 3.164 20 5 FGBDMO C[C@H](C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000558691479 505465235 /nfs/dbraw/zinc/46/52/35/505465235.db2.gz AMWDTNHHWYANEK-SJORKVTESA-N 1 1 367.449 3.431 20 5 FGBDMO C[C@H](C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000558691479 505465239 /nfs/dbraw/zinc/46/52/39/505465239.db2.gz AMWDTNHHWYANEK-SJORKVTESA-N 1 1 367.449 3.431 20 5 FGBDMO COc1cc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cc(OC)c1OC ZINC000561967891 505480701 /nfs/dbraw/zinc/48/07/01/505480701.db2.gz JUNZWSPKYZSQAD-UHFFFAOYSA-N 1 1 360.410 3.295 20 5 FGBDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000552731936 505545176 /nfs/dbraw/zinc/54/51/76/505545176.db2.gz DYXMRGCUSVILOF-UHFFFAOYSA-N 1 1 365.817 3.435 20 5 FGBDMO CC1CC[NH+](CC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000552746975 505548343 /nfs/dbraw/zinc/54/83/43/505548343.db2.gz QQWIUBXGDUXCQR-UHFFFAOYSA-N 1 1 356.220 3.028 20 5 FGBDMO Cc1c(NC(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000593134824 506415600 /nfs/dbraw/zinc/41/56/00/506415600.db2.gz 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O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCS[C@@H]3CCCC[C@H]31)OCCO2 ZINC000611274239 507599293 /nfs/dbraw/zinc/59/92/93/507599293.db2.gz DIIWREZJHMKSJU-CXAGYDPISA-N 1 1 350.440 3.226 20 5 FGBDMO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000595628699 507601807 /nfs/dbraw/zinc/60/18/07/507601807.db2.gz SHGYODDHWXPCII-RTXFEEFZSA-N 1 1 360.332 3.329 20 5 FGBDMO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000595628699 507601810 /nfs/dbraw/zinc/60/18/10/507601810.db2.gz SHGYODDHWXPCII-RTXFEEFZSA-N 1 1 360.332 3.329 20 5 FGBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](C)C3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000611303474 507613610 /nfs/dbraw/zinc/61/36/10/507613610.db2.gz XYPOYVOELOYQMC-CQSZACIVSA-N 1 1 361.442 3.444 20 5 FGBDMO C[N@H+]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1Cc1ccccc1 ZINC000585756165 507616599 /nfs/dbraw/zinc/61/65/99/507616599.db2.gz POZAIDYOIYKAAQ-FQEVSTJZSA-N 1 1 369.465 3.222 20 5 FGBDMO CN1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1Cc1ccccc1 ZINC000585756165 507616604 /nfs/dbraw/zinc/61/66/04/507616604.db2.gz POZAIDYOIYKAAQ-FQEVSTJZSA-N 1 1 369.465 3.222 20 5 FGBDMO CN1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1Cc1ccccc1 ZINC000585756165 507616612 /nfs/dbraw/zinc/61/66/12/507616612.db2.gz POZAIDYOIYKAAQ-FQEVSTJZSA-N 1 1 369.465 3.222 20 5 FGBDMO COc1cc(C[N@H+]2CCCCC[C@H]2CCO)c([N+](=O)[O-])cc1OC(F)F ZINC000585754558 507617317 /nfs/dbraw/zinc/61/73/17/507617317.db2.gz QVOZILOAWJNNAE-ZDUSSCGKSA-N 1 1 374.384 3.332 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)c1 ZINC000585790123 507628506 /nfs/dbraw/zinc/62/85/06/507628506.db2.gz LKODZENQJJKBPH-HNAYVOBHSA-N 1 1 357.458 3.156 20 5 FGBDMO COc1ccc(OCC[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000611350173 507636109 /nfs/dbraw/zinc/63/61/09/507636109.db2.gz DGUGGHSJRGOSRV-JKSUJKDBSA-N 1 1 364.442 3.121 20 5 FGBDMO O=[N+]([O-])c1cc(F)c(C[N@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)c(F)c1 ZINC000586760952 507661904 /nfs/dbraw/zinc/66/19/04/507661904.db2.gz YQQZYCPEQHEYBY-OKILXGFUSA-N 1 1 359.376 3.441 20 5 FGBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)c(F)c1 ZINC000586760952 507661908 /nfs/dbraw/zinc/66/19/08/507661908.db2.gz YQQZYCPEQHEYBY-OKILXGFUSA-N 1 1 359.376 3.441 20 5 FGBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000595781881 507682016 /nfs/dbraw/zinc/68/20/16/507682016.db2.gz UPHVSOLMTUCRLH-INIZCTEOSA-N 1 1 360.458 3.143 20 5 FGBDMO CN(C)c1ccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cn1 ZINC000602507723 507730048 /nfs/dbraw/zinc/73/00/48/507730048.db2.gz HFINELRYUPYHEU-UHFFFAOYSA-N 1 1 354.332 3.364 20 5 FGBDMO O=[N+]([O-])c1ccc2oc(C[NH2+]Cc3ccc4c(c3)OCCCO4)nc2c1 ZINC000602532812 507739899 /nfs/dbraw/zinc/73/98/99/507739899.db2.gz LZYKGXWFDIGEJF-UHFFFAOYSA-N 1 1 355.350 3.187 20 5 FGBDMO O=[N+]([O-])c1cccc(C[N@@H+](Cc2ccc(F)cc2-c2nn[nH]n2)C2CC2)c1 ZINC000823648585 607176941 /nfs/dbraw/zinc/17/69/41/607176941.db2.gz XIQGJJMIWXQKBL-UHFFFAOYSA-N 1 1 368.372 3.079 20 5 FGBDMO Cc1ccc(C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2F)cc1[N+](=O)[O-] ZINC000826288545 608137559 /nfs/dbraw/zinc/13/75/59/608137559.db2.gz MDVXMUUMOOQYOG-LLVKDONJSA-N 1 1 356.361 3.073 20 5 FGBDMO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000093531139 700452214 /nfs/dbraw/zinc/45/22/14/700452214.db2.gz HHWUHMMYICVPMT-QGZVFWFLSA-N 1 1 354.475 3.117 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+](CCO)Cc2ccccc2)ccc1Br ZINC000123009575 700698819 /nfs/dbraw/zinc/69/88/19/700698819.db2.gz QIQFXYLKPAGUHU-UHFFFAOYSA-N 1 1 365.227 3.352 20 5 FGBDMO C[N@@H+](CCOc1ccc(Cl)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136812643 704864943 /nfs/dbraw/zinc/86/49/43/704864943.db2.gz OPBFTMULVOHBGK-QGZVFWFLSA-N 1 1 350.802 3.292 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H](O)c3cccc(Cl)c3)CC2)cc1 ZINC000174652185 705512994 /nfs/dbraw/zinc/51/29/94/705512994.db2.gz DVOPPPRBFMTDLP-GOSISDBHSA-N 1 1 361.829 3.104 20 5 FGBDMO CC(C)(C)OC(=O)NC/C=C/C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000302090736 713782710 /nfs/dbraw/zinc/78/27/10/713782710.db2.gz DGGIWXRCOAJFDY-SNAWJCMRSA-N 1 1 355.822 3.419 20 5 FGBDMO Cn1cc[nH+]c1[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413271521 714001533 /nfs/dbraw/zinc/00/15/33/714001533.db2.gz VYOBITFDKDWWRS-JTQLQIEISA-N 1 1 355.320 3.126 20 5 FGBDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000522548960 714192286 /nfs/dbraw/zinc/19/22/86/714192286.db2.gz SUIWFSPSGBNRMK-VBQJREDUSA-N 1 1 367.877 3.322 20 5 FGBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000524229558 714274259 /nfs/dbraw/zinc/27/42/59/714274259.db2.gz ZLAFRMHLBYOQDM-HZSPNIEDSA-N 1 1 367.877 3.273 20 5 FGBDMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000804533503 724525832 /nfs/dbraw/zinc/52/58/32/724525832.db2.gz ASAMBRWOOYYNDH-UHFFFAOYSA-N 1 1 359.813 3.205 20 5 FGBDMO C[N@H+]1CCCC[C@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000781675251 724585725 /nfs/dbraw/zinc/58/57/25/724585725.db2.gz QNYYEELZXPFINH-NSHDSACASA-N 1 1 371.231 3.389 20 5 FGBDMO O=C(C[N@@H+]1CCC[C@]2(CCCOC2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000747845878 722663160 /nfs/dbraw/zinc/66/31/60/722663160.db2.gz ISQVIZKSBUETJN-KRWDZBQOSA-N 1 1 367.833 3.079 20 5 FGBDMO O=C(C[N@H+]1CCC[C@]2(CCCOC2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000747845878 722663162 /nfs/dbraw/zinc/66/31/62/722663162.db2.gz ISQVIZKSBUETJN-KRWDZBQOSA-N 1 1 367.833 3.079 20 5 FGBDMO Cc1[nH+]ccn1CCCOC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000751643853 722818231 /nfs/dbraw/zinc/81/82/31/722818231.db2.gz LVGDPBMGHLAWQU-UHFFFAOYSA-N 1 1 369.830 3.479 20 5 FGBDMO Cc1nn(C[N@H+](CCc2nccs2)C(C)C)c2ncc([N+](=O)[O-])cc12 ZINC000753983137 722921460 /nfs/dbraw/zinc/92/14/60/722921460.db2.gz GIQGJOMWLHOKHE-UHFFFAOYSA-N 1 1 360.443 3.015 20 5 FGBDMO CC[N@@H+](CCNc1cc(OC)cc(F)c1[N+](=O)[O-])CCC(F)(F)F ZINC000755038600 722949516 /nfs/dbraw/zinc/94/95/16/722949516.db2.gz ATFIEXBVXRLYJD-UHFFFAOYSA-N 1 1 353.316 3.429 20 5 FGBDMO CCOc1cc(COC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000755548515 722954367 /nfs/dbraw/zinc/95/43/67/722954367.db2.gz LAWXEBINZXVYNM-HZSPNIEDSA-N 1 1 350.415 3.298 20 5 FGBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790794171 723178587 /nfs/dbraw/zinc/17/85/87/723178587.db2.gz XYOGSCXSQJCSGU-ZDUSSCGKSA-N 1 1 371.840 3.263 20 5 FGBDMO CCC[C@H]1CN(c2nc3ccc([N+](=O)[O-])cc3s2)CC[N@H+]1CCOC ZINC000766428781 723573600 /nfs/dbraw/zinc/57/36/00/723573600.db2.gz KWUJMXRABIHKEW-AWEZNQCLSA-N 1 1 364.471 3.142 20 5 FGBDMO C[N@H+](CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O)CC(C)(C)C ZINC000795425855 723590281 /nfs/dbraw/zinc/59/02/81/723590281.db2.gz ALCWKIIWZCUHMG-UHFFFAOYSA-N 1 1 370.247 3.249 20 5 FGBDMO C[N@@H+](CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O)CC(C)(C)C ZINC000795425855 723590284 /nfs/dbraw/zinc/59/02/84/723590284.db2.gz ALCWKIIWZCUHMG-UHFFFAOYSA-N 1 1 370.247 3.249 20 5 FGBDMO COCC[C@H]1CCCC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000767939417 723640671 /nfs/dbraw/zinc/64/06/71/723640671.db2.gz BXZNNHDBZVWBQE-CYBMUJFWSA-N 1 1 369.849 3.325 20 5 FGBDMO COC(=O)C[C@@H]1CCCC[N@@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000768993017 723673824 /nfs/dbraw/zinc/67/38/24/723673824.db2.gz UCZJFDTWWIYNEJ-NSHDSACASA-N 1 1 371.231 3.275 20 5 FGBDMO COC(=O)C[C@@H]1CCCC[N@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000768993017 723673825 /nfs/dbraw/zinc/67/38/25/723673825.db2.gz UCZJFDTWWIYNEJ-NSHDSACASA-N 1 1 371.231 3.275 20 5 FGBDMO C[N@H+]1CCCC[C@@H]1CCOC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000770158081 723707581 /nfs/dbraw/zinc/70/75/81/723707581.db2.gz SFWRKZXSLOJVJC-CYBMUJFWSA-N 1 1 371.231 3.389 20 5 FGBDMO O=[N+]([O-])c1ccc(NC(=S)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000772815625 723768947 /nfs/dbraw/zinc/76/89/47/723768947.db2.gz DTSGHPDMPVYNGZ-SUMWQHHRSA-N 1 1 360.483 3.240 20 5 FGBDMO CCC[N@@H+](C)C[C@H]1CCN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774639457 723913335 /nfs/dbraw/zinc/91/33/35/723913335.db2.gz WQDSYDUUKNLWCI-CYBMUJFWSA-N 1 1 365.865 3.219 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)ccc1Cl ZINC000777440116 724225773 /nfs/dbraw/zinc/22/57/73/724225773.db2.gz UJCJJKOKGQUYNX-QGZVFWFLSA-N 1 1 350.777 3.481 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)ccc1Cl ZINC000777440116 724225774 /nfs/dbraw/zinc/22/57/74/724225774.db2.gz UJCJJKOKGQUYNX-QGZVFWFLSA-N 1 1 350.777 3.481 20 5 FGBDMO O=C1Nc2ccccc2[C@@]12CC[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000778208953 724311317 /nfs/dbraw/zinc/31/13/17/724311317.db2.gz GRPLPBYWJMVXQO-SFHVURJKSA-N 1 1 357.797 3.344 20 5 FGBDMO C[C@@H]1CC[C@@](CO)([N@@H+](C)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000801546976 724312204 /nfs/dbraw/zinc/31/22/04/724312204.db2.gz XQNKLDFDFYCEFA-IAQYHMDHSA-N 1 1 357.248 3.340 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000778943196 724375368 /nfs/dbraw/zinc/37/53/68/724375368.db2.gz 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FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](O)C23CCCC3)ccc1Br ZINC000814665786 726991309 /nfs/dbraw/zinc/99/13/09/726991309.db2.gz QKYZUJXCVDDQCM-CQSZACIVSA-N 1 1 355.232 3.237 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](O)C23CCCC3)ccc1Br ZINC000814665786 726991311 /nfs/dbraw/zinc/99/13/11/726991311.db2.gz QKYZUJXCVDDQCM-CQSZACIVSA-N 1 1 355.232 3.237 20 5 FGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)c1 ZINC000815207359 727052299 /nfs/dbraw/zinc/05/22/99/727052299.db2.gz CIJSPKWEIGZIEV-ROUUACIJSA-N 1 1 362.813 3.435 20 5 FGBDMO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000816952644 727209447 /nfs/dbraw/zinc/20/94/47/727209447.db2.gz OQCLZBRHBSLUTO-WFASDCNBSA-N 1 1 363.845 3.337 20 5 FGBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@H](CCO)CC1 ZINC000817297492 727238118 /nfs/dbraw/zinc/23/81/18/727238118.db2.gz RLKIKNXVSOCNOL-STQMWFEESA-N 1 1 369.849 3.060 20 5 FGBDMO 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HLWDPXXIGPVWDO-GFCCVEGCSA-N 1 1 363.439 3.220 20 5 FGBDMO COc1cc([C@@H](C)[NH2+]Cc2cnc(C(F)(F)F)nc2)cc([N+](=O)[O-])c1 ZINC000903199266 743821939 /nfs/dbraw/zinc/82/19/39/743821939.db2.gz JNWLAOXQJGEQGH-SECBINFHSA-N 1 1 356.304 3.263 20 5 FGBDMO C[N@H+]1CCC[C@H]2CN(C(=O)CCc3ccc([N+](=O)[O-])cc3Cl)CC[C@@H]21 ZINC000907038115 744180867 /nfs/dbraw/zinc/18/08/67/744180867.db2.gz QWLUPAUWHPXFMA-YOEHRIQHSA-N 1 1 365.861 3.124 20 5 FGBDMO Cn1nc(C2CC2)cc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000922947858 759035878 /nfs/dbraw/zinc/03/58/78/759035878.db2.gz KZVAZRBJMCMHEZ-UHFFFAOYSA-N 1 1 352.341 3.097 20 5 FGBDMO Cc1nc([C@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)no1 ZINC000931941061 761012804 /nfs/dbraw/zinc/01/28/04/761012804.db2.gz NTKALLIUSYOSGZ-JTQLQIEISA-N 1 1 356.304 3.295 20 5 FGBDMO Cc1nc([C@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)no1 ZINC000931941061 761012815 /nfs/dbraw/zinc/01/28/15/761012815.db2.gz NTKALLIUSYOSGZ-JTQLQIEISA-N 1 1 356.304 3.295 20 5 FGBDMO 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373.409 3.071 20 5 FGBDMO COc1cccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000003539864 493852302 /nfs/dbraw/zinc/85/23/02/493852302.db2.gz WYNPKWMNXGQPQA-CYBMUJFWSA-N 1 1 373.409 3.071 20 5 FGBDMO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000076386881 493881199 /nfs/dbraw/zinc/88/11/99/493881199.db2.gz LCLJPPFUJLHXHH-RHSMWYFYSA-N 1 1 353.422 3.380 20 5 FGBDMO C[C@H]1CCC[N@@H+](CCNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000050579640 493922157 /nfs/dbraw/zinc/92/21/57/493922157.db2.gz HAOJASXFRAHUEM-ZDUSSCGKSA-N 1 1 374.466 3.180 20 5 FGBDMO C[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2sccc2C1 ZINC000031663832 493954279 /nfs/dbraw/zinc/95/42/79/493954279.db2.gz JHJNAWMGEOPOAG-LBPRGKRZSA-N 1 1 360.439 3.225 20 5 FGBDMO C[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCc2sccc2C1 ZINC000031663832 493954284 /nfs/dbraw/zinc/95/42/84/493954284.db2.gz JHJNAWMGEOPOAG-LBPRGKRZSA-N 1 1 360.439 3.225 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2c2cccc(F)c2)c1 ZINC000051472609 493972913 /nfs/dbraw/zinc/97/29/13/493972913.db2.gz PLAIMRIORFYNDY-PKOBYXMFSA-N 1 1 360.385 3.311 20 5 FGBDMO C[N@H+]1CCN(CCCNc2ccsc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000063258227 494037110 /nfs/dbraw/zinc/03/71/10/494037110.db2.gz KNNZAPCFLNFJQE-QGZVFWFLSA-N 1 1 360.483 3.447 20 5 FGBDMO CN1CC[N@H+](CCCNc2ccsc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000063258227 494037112 /nfs/dbraw/zinc/03/71/12/494037112.db2.gz KNNZAPCFLNFJQE-QGZVFWFLSA-N 1 1 360.483 3.447 20 5 FGBDMO CN1CC[N@@H+](CCCNc2ccsc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000063258227 494037113 /nfs/dbraw/zinc/03/71/13/494037113.db2.gz KNNZAPCFLNFJQE-QGZVFWFLSA-N 1 1 360.483 3.447 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1c1cc(C)no1 ZINC000052821908 494064426 /nfs/dbraw/zinc/06/44/26/494064426.db2.gz XBFHVHHZWJRNSD-HNNXBMFYSA-N 1 1 374.397 3.066 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](C(C)(C)C)CC2)c1 ZINC000063724496 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495683392 /nfs/dbraw/zinc/68/33/92/495683392.db2.gz ICDQYBPEKTVMFC-KGLIPLIRSA-N 1 1 358.442 3.479 20 5 FGBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000150940500 495688201 /nfs/dbraw/zinc/68/82/01/495688201.db2.gz IAOYTKTZCBUPRC-GFCCVEGCSA-N 1 1 354.838 3.348 20 5 FGBDMO C[C@@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182857957 495730324 /nfs/dbraw/zinc/73/03/24/495730324.db2.gz OSPQYIXYJBCGOO-HZPDHXFCSA-N 1 1 374.485 3.389 20 5 FGBDMO C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000186018223 495822612 /nfs/dbraw/zinc/82/26/12/495822612.db2.gz SVXIKYGZLHJBMU-ZDUSSCGKSA-N 1 1 373.840 3.311 20 5 FGBDMO C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCc2ccccc2C1 ZINC000186018223 495822618 /nfs/dbraw/zinc/82/26/18/495822618.db2.gz SVXIKYGZLHJBMU-ZDUSSCGKSA-N 1 1 373.840 3.311 20 5 FGBDMO C[C@@H](C(=O)Nc1ccccc1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174248795 495881588 /nfs/dbraw/zinc/88/15/88/495881588.db2.gz UHILRDVKULOVJG-HNNXBMFYSA-N 1 1 369.421 3.465 20 5 FGBDMO CSc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000180158132 495885226 /nfs/dbraw/zinc/88/52/26/495885226.db2.gz MZHBVBIPOQCCMH-QAPCUYQASA-N 1 1 371.462 3.492 20 5 FGBDMO CCN(C(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186296879 495934369 /nfs/dbraw/zinc/93/43/69/495934369.db2.gz JIOZQXRCYMXLJE-QGZVFWFLSA-N 1 1 371.412 3.471 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000151747132 495934783 /nfs/dbraw/zinc/93/47/83/495934783.db2.gz FPAGWEJFPABOQJ-YOEHRIQHSA-N 1 1 373.409 3.023 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000151747132 495934788 /nfs/dbraw/zinc/93/47/88/495934788.db2.gz FPAGWEJFPABOQJ-YOEHRIQHSA-N 1 1 373.409 3.023 20 5 FGBDMO COc1cc(C[NH2+][C@H](CO)c2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000183666232 496069291 /nfs/dbraw/zinc/06/92/91/496069291.db2.gz QNXWACLXXJXGCC-CYBMUJFWSA-N 1 1 368.336 3.028 20 5 FGBDMO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1cc(Cl)ccc1[N+](=O)[O-])CC2 ZINC000174873033 496142519 /nfs/dbraw/zinc/14/25/19/496142519.db2.gz UVNYAZZPKYHJQF-HOTGVXAUSA-N 1 1 354.834 3.000 20 5 FGBDMO CC[N@H+]1CCC[C@@H]1CN(C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000177700093 496163301 /nfs/dbraw/zinc/16/33/01/496163301.db2.gz NUGMEOFMPNBUIR-QGZVFWFLSA-N 1 1 358.442 3.208 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1ccccn1)C1CC1 ZINC000180870040 496179239 /nfs/dbraw/zinc/17/92/39/496179239.db2.gz IGANZNLJZFSSCJ-UHFFFAOYSA-N 1 1 354.410 3.291 20 5 FGBDMO C[C@@H](C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1nccs1 ZINC000183975416 496185431 /nfs/dbraw/zinc/18/54/31/496185431.db2.gz VAMLFWOUJFTTGO-JTQLQIEISA-N 1 1 368.846 3.379 20 5 FGBDMO C[C@@H](C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1nccs1 ZINC000183975416 496185435 /nfs/dbraw/zinc/18/54/35/496185435.db2.gz VAMLFWOUJFTTGO-JTQLQIEISA-N 1 1 368.846 3.379 20 5 FGBDMO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CCC2 ZINC000152653180 496215704 /nfs/dbraw/zinc/21/57/04/496215704.db2.gz NEKRGAXIHGACGV-AWEZNQCLSA-N 1 1 374.466 3.222 20 5 FGBDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CCC2 ZINC000152653180 496215705 /nfs/dbraw/zinc/21/57/05/496215705.db2.gz NEKRGAXIHGACGV-AWEZNQCLSA-N 1 1 374.466 3.222 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000175057456 496229316 /nfs/dbraw/zinc/22/93/16/496229316.db2.gz PIZGXUIOHXUFTG-UHFFFAOYSA-N 1 1 360.389 3.296 20 5 FGBDMO O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000172424775 496293627 /nfs/dbraw/zinc/29/36/27/496293627.db2.gz QPPIMVMGJRJQFN-KRWDZBQOSA-N 1 1 365.433 3.396 20 5 FGBDMO C[C@H](c1nc2ccccc2o1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000181175876 496299258 /nfs/dbraw/zinc/29/92/58/496299258.db2.gz CAUBCTHDLWBCEV-OLZOCXBDSA-N 1 1 353.382 3.378 20 5 FGBDMO C[C@H](c1nc2ccccc2o1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000181175876 496299262 /nfs/dbraw/zinc/29/92/62/496299262.db2.gz CAUBCTHDLWBCEV-OLZOCXBDSA-N 1 1 353.382 3.378 20 5 FGBDMO CN(C)C(=O)C1CC[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000162582775 496377800 /nfs/dbraw/zinc/37/78/00/496377800.db2.gz SEBNIAUXMRYZIE-UHFFFAOYSA-N 1 1 374.466 3.019 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000181458354 496405615 /nfs/dbraw/zinc/40/56/15/496405615.db2.gz BHTVOPOJEGZVMT-INWMFGNUSA-N 1 1 360.414 3.189 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CCc1ccncc1 ZINC000181495873 496419511 /nfs/dbraw/zinc/41/95/11/496419511.db2.gz POFMUZGJQUNSHQ-GFCCVEGCSA-N 1 1 362.817 3.145 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)CCc1ccncc1 ZINC000181495873 496419515 /nfs/dbraw/zinc/41/95/15/496419515.db2.gz POFMUZGJQUNSHQ-GFCCVEGCSA-N 1 1 362.817 3.145 20 5 FGBDMO Cc1ccc(N2CCC(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)[nH+]c1 ZINC000157873103 496574644 /nfs/dbraw/zinc/57/46/44/496574644.db2.gz ICSUYTONYRRDDM-UHFFFAOYSA-N 1 1 374.828 3.350 20 5 FGBDMO Cc1c(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cccc1[N+](=O)[O-] ZINC000571944916 505852494 /nfs/dbraw/zinc/85/24/94/505852494.db2.gz UBZXXIFEDKBPTF-SJORKVTESA-N 1 1 360.458 3.060 20 5 FGBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000153867700 496607126 /nfs/dbraw/zinc/60/71/26/496607126.db2.gz VKUXWKVXSJFYPQ-HNNXBMFYSA-N 1 1 372.469 3.247 20 5 FGBDMO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181978811 496621672 /nfs/dbraw/zinc/62/16/72/496621672.db2.gz GRVWVEUANGRWSU-HNAYVOBHSA-N 1 1 374.462 3.247 20 5 FGBDMO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181978811 496621675 /nfs/dbraw/zinc/62/16/75/496621675.db2.gz GRVWVEUANGRWSU-HNAYVOBHSA-N 1 1 374.462 3.247 20 5 FGBDMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181978553 496621749 /nfs/dbraw/zinc/62/17/49/496621749.db2.gz DJLXMORJYKVEQK-BPQIPLTHSA-N 1 1 356.422 3.213 20 5 FGBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cccc2c1C[N@@H+](CC(C)C)C2 ZINC000158276159 496665358 /nfs/dbraw/zinc/66/53/58/496665358.db2.gz HCOOSXGCWSGHJT-UHFFFAOYSA-N 1 1 371.441 3.100 20 5 FGBDMO C[C@H]1C[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000176113684 496688939 /nfs/dbraw/zinc/68/89/39/496688939.db2.gz OYISWSJDMQZJQU-QFBILLFUSA-N 1 1 367.449 3.307 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[N@H+](C2CCCC2)CC1 ZINC000179245468 496720372 /nfs/dbraw/zinc/72/03/72/496720372.db2.gz LYOODQUHFXKQPE-UHFFFAOYSA-N 1 1 368.437 3.234 20 5 FGBDMO CN(C)c1noc([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)n1 ZINC000194927841 496763741 /nfs/dbraw/zinc/76/37/41/496763741.db2.gz HOZOTNDLRNRTBG-GFCCVEGCSA-N 1 1 365.821 3.077 20 5 FGBDMO CN(C)c1noc([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)n1 ZINC000194927841 496763745 /nfs/dbraw/zinc/76/37/45/496763745.db2.gz HOZOTNDLRNRTBG-GFCCVEGCSA-N 1 1 365.821 3.077 20 5 FGBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000247081324 496773868 /nfs/dbraw/zinc/77/38/68/496773868.db2.gz PFGOXKSINPYZJG-HZPDHXFCSA-N 1 1 362.474 3.338 20 5 FGBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000247120192 496785454 /nfs/dbraw/zinc/78/54/54/496785454.db2.gz YWKOSUIWKRZLGP-DLBZAZTESA-N 1 1 359.470 3.250 20 5 FGBDMO CC(C)c1n[nH]c(C(=O)NCc2cccc(C[N@H+](C)C(C)C)c2)c1[N+](=O)[O-] ZINC000269330277 496921228 /nfs/dbraw/zinc/92/12/28/496921228.db2.gz FFIVCCGLKRHXGF-UHFFFAOYSA-N 1 1 373.457 3.212 20 5 FGBDMO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000269460021 496951768 /nfs/dbraw/zinc/95/17/68/496951768.db2.gz WRMFDTFGHDAKIM-DYVFJYSZSA-N 1 1 369.421 3.430 20 5 FGBDMO CC(C)[C@@H](CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[NH+]1CCOCC1 ZINC000218467700 497002449 /nfs/dbraw/zinc/00/24/49/497002449.db2.gz OLOLMJGJDCMJGG-OAHLLOKOSA-N 1 1 361.364 3.382 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)n1 ZINC000192226027 497040158 /nfs/dbraw/zinc/04/01/58/497040158.db2.gz NVFYLJKGKHKTMD-QGZVFWFLSA-N 1 1 356.426 3.001 20 5 FGBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)[C@H]2C1 ZINC000274578006 497127271 /nfs/dbraw/zinc/12/72/71/497127271.db2.gz HBYYMBDGYFRXKP-YGRLFVJLSA-N 1 1 372.347 3.172 20 5 FGBDMO Cc1cc2c(ncnc2N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000189511719 497144441 /nfs/dbraw/zinc/14/44/41/497144441.db2.gz KYUOAIHIMFNPKR-UHFFFAOYSA-N 1 1 369.450 3.230 20 5 FGBDMO COc1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc([N+](=O)[O-])c1C ZINC000189632437 497189357 /nfs/dbraw/zinc/18/93/57/497189357.db2.gz VDJVMDJEHXCTJQ-RHSMWYFYSA-N 1 1 373.453 3.001 20 5 FGBDMO COC1(C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000274965281 497208129 /nfs/dbraw/zinc/20/81/29/497208129.db2.gz VDZXQFLPRWKJJA-QGZVFWFLSA-N 1 1 358.442 3.357 20 5 FGBDMO COc1cc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cc(OC)c1O ZINC000237300292 497217156 /nfs/dbraw/zinc/21/71/56/497217156.db2.gz WFMVWZFVHPFMNU-UHFFFAOYSA-N 1 1 352.774 3.261 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2c2cccc(F)c2)c1 ZINC000249725303 497237343 /nfs/dbraw/zinc/23/73/43/497237343.db2.gz PLAIMRIORFYNDY-IEBWSBKVSA-N 1 1 360.385 3.311 20 5 FGBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000574969618 505893965 /nfs/dbraw/zinc/89/39/65/505893965.db2.gz TUTUOFACXUGVAE-CYBMUJFWSA-N 1 1 370.881 3.210 20 5 FGBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275623127 497384720 /nfs/dbraw/zinc/38/47/20/497384720.db2.gz IPYKRHHFYSSRAU-RBZFPXEDSA-N 1 1 361.445 3.306 20 5 FGBDMO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CCOc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000271653231 497410117 /nfs/dbraw/zinc/41/01/17/497410117.db2.gz VNIWBWLHLXXVNK-KEYYUXOJSA-N 1 1 369.421 3.274 20 5 FGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](CCO)CCc1ccccc1 ZINC000261449243 497412794 /nfs/dbraw/zinc/41/27/94/497412794.db2.gz IHOBCTGMJNTQGH-UHFFFAOYSA-N 1 1 358.438 3.419 20 5 FGBDMO C[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000271711360 497425887 /nfs/dbraw/zinc/42/58/87/497425887.db2.gz VGPLQBWPCYPBAH-DAYGRLMNSA-N 1 1 372.469 3.314 20 5 FGBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)[C@H]2C1 ZINC000275984278 497475421 /nfs/dbraw/zinc/47/54/21/497475421.db2.gz PJMFDPULYKCYQS-VLIAUNLRSA-N 1 1 361.445 3.260 20 5 FGBDMO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000245640653 497483942 /nfs/dbraw/zinc/48/39/42/497483942.db2.gz KLRFLLLRUYGIII-KYNGSXCRSA-N 1 1 368.437 3.400 20 5 FGBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000245754232 497529573 /nfs/dbraw/zinc/52/95/73/497529573.db2.gz HGEHRYLLZUVCNX-HOTGVXAUSA-N 1 1 374.485 3.389 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000572209792 505914543 /nfs/dbraw/zinc/91/45/43/505914543.db2.gz LVWPPACKTHZBPL-NVXWUHKLSA-N 1 1 374.485 3.140 20 5 FGBDMO Cc1nc(CC[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000272500088 497645358 /nfs/dbraw/zinc/64/53/58/497645358.db2.gz GVILNJRDJBUMRM-MRXNPFEDSA-N 1 1 357.439 3.015 20 5 FGBDMO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000280115377 497653578 /nfs/dbraw/zinc/65/35/78/497653578.db2.gz NWJPRIUMOCOUQP-NSHDSACASA-N 1 1 354.453 3.301 20 5 FGBDMO CO[C@]1(C)C[C@@H]([NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000272562781 497664074 /nfs/dbraw/zinc/66/40/74/497664074.db2.gz UKGOTMFQLPUWFC-JTDSTZFVSA-N 1 1 358.442 3.211 20 5 FGBDMO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000276861181 497672957 /nfs/dbraw/zinc/67/29/57/497672957.db2.gz GLKYMJIDCAYQQP-MRXNPFEDSA-N 1 1 363.458 3.122 20 5 FGBDMO CCOc1cc(C[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)ccc1[N+](=O)[O-] ZINC000276883135 497679008 /nfs/dbraw/zinc/67/90/08/497679008.db2.gz JCRWQWSXLFWHSS-OAHLLOKOSA-N 1 1 371.441 3.369 20 5 FGBDMO CCOc1cc(C[NH2+][C@@H](C[S@](C)=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000276950695 497697720 /nfs/dbraw/zinc/69/77/20/497697720.db2.gz UEWDRPIQWKJSDG-LMKMVOKYSA-N 1 1 362.451 3.203 20 5 FGBDMO CC[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000272896335 497756198 /nfs/dbraw/zinc/75/61/98/497756198.db2.gz YSABASUMODQWFV-BLLLJJGKSA-N 1 1 363.439 3.044 20 5 FGBDMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])sc2C1 ZINC000272982268 497778077 /nfs/dbraw/zinc/77/80/77/497778077.db2.gz DGTMHNLHKGTIAL-UHFFFAOYSA-N 1 1 364.402 3.209 20 5 FGBDMO CC(C)[N@H+]1CCc2nc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])sc2C1 ZINC000272982268 497778079 /nfs/dbraw/zinc/77/80/79/497778079.db2.gz DGTMHNLHKGTIAL-UHFFFAOYSA-N 1 1 364.402 3.209 20 5 FGBDMO CC(C)(C)c1ccc([C@@H]2CCC[N@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000246769829 497809623 /nfs/dbraw/zinc/80/96/23/497809623.db2.gz RKTDRGQOWFXPHV-MOPGFXCFSA-N 1 1 372.469 3.287 20 5 FGBDMO CO[C@@]1(C)CCC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000280620782 497829495 /nfs/dbraw/zinc/82/94/95/497829495.db2.gz WNNRNJJLPCSDGM-SJCJKPOMSA-N 1 1 369.849 3.466 20 5 FGBDMO CO[C@@]1(C)CCC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000280620782 497829499 /nfs/dbraw/zinc/82/94/99/497829499.db2.gz WNNRNJJLPCSDGM-SJCJKPOMSA-N 1 1 369.849 3.466 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000299568616 497850511 /nfs/dbraw/zinc/85/05/11/497850511.db2.gz HBQUYYSOSUKDMW-ZDUSSCGKSA-N 1 1 358.398 3.020 20 5 FGBDMO COc1cccc(NC[C@H]2CCC[N@@H+](Cc3cccnc3)C2)c1[N+](=O)[O-] ZINC000364279341 497877668 /nfs/dbraw/zinc/87/76/68/497877668.db2.gz DZXBCAYJQVDTBH-MRXNPFEDSA-N 1 1 356.426 3.323 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)cs1 ZINC000288758322 497890327 /nfs/dbraw/zinc/89/03/27/497890327.db2.gz IQAQWFFYFZZAJI-QGZVFWFLSA-N 1 1 350.415 3.223 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)cs1 ZINC000288758322 497890331 /nfs/dbraw/zinc/89/03/31/497890331.db2.gz IQAQWFFYFZZAJI-QGZVFWFLSA-N 1 1 350.415 3.223 20 5 FGBDMO O=C1Nc2ccccc2[C@@]12CC[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC000364434431 497955122 /nfs/dbraw/zinc/95/51/22/497955122.db2.gz MUZPROBZDBVALH-SFHVURJKSA-N 1 1 357.797 3.344 20 5 FGBDMO C[C@@H](c1nc(-c2cccnc2)no1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285213651 498022966 /nfs/dbraw/zinc/02/29/66/498022966.db2.gz DVDATGRIHHVRKJ-ZDUSSCGKSA-N 1 1 353.382 3.275 20 5 FGBDMO C[C@@H](c1nc(-c2cccnc2)no1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285213651 498022978 /nfs/dbraw/zinc/02/29/78/498022978.db2.gz DVDATGRIHHVRKJ-ZDUSSCGKSA-N 1 1 353.382 3.275 20 5 FGBDMO C[N@H+]1CC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H]1c1cccs1 ZINC000364618930 498053021 /nfs/dbraw/zinc/05/30/21/498053021.db2.gz BECNNDIKUBMLKB-KDOFPFPSSA-N 1 1 359.451 3.008 20 5 FGBDMO C[C@@]12CCC[N@H+]1C[C@H](c1noc(-c3cc4cc([N+](=O)[O-])ccc4o3)n1)OC2 ZINC000350352275 498086198 /nfs/dbraw/zinc/08/61/98/498086198.db2.gz KPFSNWIMHLZSBI-QAPCUYQASA-N 1 1 370.365 3.317 20 5 FGBDMO COCCOC[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000292668409 498101586 /nfs/dbraw/zinc/10/15/86/498101586.db2.gz AVYNPJJTBXTFKJ-LBPRGKRZSA-N 1 1 362.348 3.099 20 5 FGBDMO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC2(CCC2)O1 ZINC000572484374 505979763 /nfs/dbraw/zinc/97/97/63/505979763.db2.gz WBZGWRUJKJJVGP-CQSZACIVSA-N 1 1 356.426 3.139 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC2(CCC2)O1 ZINC000572484374 505979767 /nfs/dbraw/zinc/97/97/67/505979767.db2.gz WBZGWRUJKJJVGP-CQSZACIVSA-N 1 1 356.426 3.139 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@H](O)C23CCCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000292690694 498111827 /nfs/dbraw/zinc/11/18/27/498111827.db2.gz KGVSXYIELCWTGB-HNNXBMFYSA-N 1 1 372.368 3.084 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1c(F)cncc1F ZINC000285587364 498138102 /nfs/dbraw/zinc/13/81/02/498138102.db2.gz IKSZWKAKBVJHHS-NSHDSACASA-N 1 1 364.352 3.256 20 5 FGBDMO Cc1c[nH+]ccc1OC1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000289439240 498147191 /nfs/dbraw/zinc/14/71/91/498147191.db2.gz SWOUEHQFGNSTNG-UHFFFAOYSA-N 1 1 368.393 3.483 20 5 FGBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)Nc1ncc([N+](=O)[O-])cc1Br ZINC000301526134 498147963 /nfs/dbraw/zinc/14/79/63/498147963.db2.gz JCCWCSOFEMHJCN-QWRGUYRKSA-N 1 1 357.252 3.285 20 5 FGBDMO CCc1cc(N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301526479 498148693 /nfs/dbraw/zinc/14/86/93/498148693.db2.gz HZNZDVXUUIETKT-KBXCAEBGSA-N 1 1 369.469 3.391 20 5 FGBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)Nc1ncc([N+](=O)[O-])cc1Br ZINC000301526137 498148903 /nfs/dbraw/zinc/14/89/03/498148903.db2.gz JCCWCSOFEMHJCN-WDEREUQCSA-N 1 1 357.252 3.285 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000364874287 498186635 /nfs/dbraw/zinc/18/66/35/498186635.db2.gz AIWJSEYIJIROIR-ZMSDIMECSA-N 1 1 358.442 3.160 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)nc1 ZINC000301654797 498208514 /nfs/dbraw/zinc/20/85/14/498208514.db2.gz AMDZZXPQNLJHQR-IEBWSBKVSA-N 1 1 352.438 3.481 20 5 FGBDMO CC(=O)NCc1ccc([C@@H]2CCC[N@H+]2CCOc2ccc([N+](=O)[O-])cc2)o1 ZINC000364920655 498210761 /nfs/dbraw/zinc/21/07/61/498210761.db2.gz UXPGROAXXZOYFO-SFHVURJKSA-N 1 1 373.409 3.040 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285821015 498211726 /nfs/dbraw/zinc/21/17/26/498211726.db2.gz NTVTWTUMPGQSJY-NRFANRHFSA-N 1 1 365.433 3.333 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000301733460 498243549 /nfs/dbraw/zinc/24/35/49/498243549.db2.gz UEDJWYRVZIFVOY-MJGOQNOKSA-N 1 1 355.438 3.198 20 5 FGBDMO Cc1cc(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301835549 498286411 /nfs/dbraw/zinc/28/64/11/498286411.db2.gz ULBFCYQPSKETHD-HIFRSBDPSA-N 1 1 353.426 3.397 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@@H](Nc4ccccc4)C3)o2)cc1 ZINC000365127183 498310700 /nfs/dbraw/zinc/31/07/00/498310700.db2.gz HUHVEWFGKVIXNY-MRXNPFEDSA-N 1 1 365.393 3.331 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@@H](Nc4ccccc4)C3)o2)cc1 ZINC000365127183 498310707 /nfs/dbraw/zinc/31/07/07/498310707.db2.gz HUHVEWFGKVIXNY-MRXNPFEDSA-N 1 1 365.393 3.331 20 5 FGBDMO CCC[N@H+]1CCCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000365301216 498395555 /nfs/dbraw/zinc/39/55/55/498395555.db2.gz WWPUHCCMHHLJEL-CQSZACIVSA-N 1 1 359.430 3.124 20 5 FGBDMO CCOc1cccc(NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000302085585 498399770 /nfs/dbraw/zinc/39/97/70/498399770.db2.gz DVWYNHNAFWISAG-KBPBESRZSA-N 1 1 351.447 3.293 20 5 FGBDMO Cc1cccc(NC2CCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])CC2)[nH+]1 ZINC000361537485 498406000 /nfs/dbraw/zinc/40/60/00/498406000.db2.gz JOUUQCSIJHNOBY-MDZDMXLPSA-N 1 1 366.421 3.415 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(C)[nH+]c2N2CCCC2)c1 ZINC000302140717 498416699 /nfs/dbraw/zinc/41/66/99/498416699.db2.gz FIFDTEDZFDBVLD-UHFFFAOYSA-N 1 1 370.409 3.297 20 5 FGBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000331718974 498430636 /nfs/dbraw/zinc/43/06/36/498430636.db2.gz QMNKHUNYIVKYSA-MJBXVCDLSA-N 1 1 358.442 3.172 20 5 FGBDMO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000331738664 498438999 /nfs/dbraw/zinc/43/89/99/498438999.db2.gz WGLYNXBXSCBLGP-CQSZACIVSA-N 1 1 371.359 3.147 20 5 FGBDMO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000331738664 498439006 /nfs/dbraw/zinc/43/90/06/498439006.db2.gz WGLYNXBXSCBLGP-CQSZACIVSA-N 1 1 371.359 3.147 20 5 FGBDMO Cc1cc(C(=O)N2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000362106114 498466190 /nfs/dbraw/zinc/46/61/90/498466190.db2.gz LTSXFNXCFZZINI-MRXNPFEDSA-N 1 1 357.454 3.240 20 5 FGBDMO Cc1ccc(N2CCC(Nc3c4c(ccc3[N+](=O)[O-])NCC4)CC2)[nH+]c1 ZINC000302434834 498483970 /nfs/dbraw/zinc/48/39/70/498483970.db2.gz MCUYNHDVPFATRS-UHFFFAOYSA-N 1 1 353.426 3.347 20 5 FGBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000362624181 498527719 /nfs/dbraw/zinc/52/77/19/498527719.db2.gz VOJLOGMIDCCKBC-JLYLLQBASA-N 1 1 374.485 3.388 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000365583792 498544201 /nfs/dbraw/zinc/54/42/01/498544201.db2.gz ZFDYRSXXDXWLQA-SJORKVTESA-N 1 1 369.421 3.457 20 5 FGBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cc([N+](=O)[O-])c[nH]c3=O)cc2)C1 ZINC000302938901 498631268 /nfs/dbraw/zinc/63/12/68/498631268.db2.gz HHKJXSVAXPQNNC-CYBMUJFWSA-N 1 1 370.409 3.180 20 5 FGBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ncc(-c4cccc(F)c4)o3)CC2)n1 ZINC000365821309 498655989 /nfs/dbraw/zinc/65/59/89/498655989.db2.gz PJZYMWPGFASPBL-UHFFFAOYSA-N 1 1 371.372 3.423 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@H]1CN(c2ccccc2)CCO1)C1CC1 ZINC000572896065 506077650 /nfs/dbraw/zinc/07/76/50/506077650.db2.gz JFHUKZPGBNFKMV-HXUWFJFHSA-N 1 1 367.449 3.465 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@H]1CN(c2ccccc2)CCO1)C1CC1 ZINC000572896065 506077653 /nfs/dbraw/zinc/07/76/53/506077653.db2.gz JFHUKZPGBNFKMV-HXUWFJFHSA-N 1 1 367.449 3.465 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000311591687 498751286 /nfs/dbraw/zinc/75/12/86/498751286.db2.gz DEDPDZXDCIEFKM-INIZCTEOSA-N 1 1 355.394 3.068 20 5 FGBDMO Cc1cnc(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000312091298 498755331 /nfs/dbraw/zinc/75/53/31/498755331.db2.gz ZMVOYSMFIIWHMA-ROUUACIJSA-N 1 1 352.438 3.257 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CC ZINC000332702352 498768738 /nfs/dbraw/zinc/76/87/38/498768738.db2.gz STHJFHFUYJHERY-ZFWWWQNUSA-N 1 1 362.430 3.084 20 5 FGBDMO Cn1cc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c(-c2ccncc2)n1 ZINC000283103901 498780556 /nfs/dbraw/zinc/78/05/56/498780556.db2.gz TWVMFGIGBCOHSI-UHFFFAOYSA-N 1 1 351.410 3.065 20 5 FGBDMO C[C@H]1C[C@@H](N(C)C(=O)CCC(C)(C)[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000294797645 498809898 /nfs/dbraw/zinc/80/98/98/498809898.db2.gz BGNJFWXITVEHQT-WMZOPIPTSA-N 1 1 361.486 3.333 20 5 FGBDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283203777 498816447 /nfs/dbraw/zinc/81/64/47/498816447.db2.gz RMZCBXVRBYLLET-JSGCOSHPSA-N 1 1 367.421 3.469 20 5 FGBDMO CCn1c(C)nc([N+](=O)[O-])c1Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000576186490 506096712 /nfs/dbraw/zinc/09/67/12/506096712.db2.gz FRWSWKIGAIGLJS-CYBMUJFWSA-N 1 1 359.430 3.256 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]1c1cccn1C ZINC000298606022 498827104 /nfs/dbraw/zinc/82/71/04/498827104.db2.gz LTBPBGAYALDJCM-QGZVFWFLSA-N 1 1 372.425 3.108 20 5 FGBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000294932418 498853945 /nfs/dbraw/zinc/85/39/45/498853945.db2.gz LBYSGESWFYUBDI-GFCCVEGCSA-N 1 1 373.375 3.418 20 5 FGBDMO CC[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H](O)C(F)F ZINC000294971993 498866407 /nfs/dbraw/zinc/86/64/07/498866407.db2.gz FTYVGKNNAXXNRV-QWHCGFSZSA-N 1 1 357.382 3.213 20 5 FGBDMO CC(C)(CCC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)[N+](=O)[O-] ZINC000295076931 498901121 /nfs/dbraw/zinc/90/11/21/498901121.db2.gz WLSPZQDYVVIBKZ-MOPGFXCFSA-N 1 1 373.497 3.335 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CCC3(CCOCC3)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000363793711 498996029 /nfs/dbraw/zinc/99/60/29/498996029.db2.gz JCXOSKDDIPZQGO-HNNXBMFYSA-N 1 1 361.442 3.123 20 5 FGBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000299343289 499030790 /nfs/dbraw/zinc/03/07/90/499030790.db2.gz FGOCOAZXSJCNMH-LSDHHAIUSA-N 1 1 365.499 3.312 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@@H](C)C1 ZINC000284197308 499066721 /nfs/dbraw/zinc/06/67/21/499066721.db2.gz YQHHGAZPRUQBTO-AAEUAGOBSA-N 1 1 354.838 3.442 20 5 FGBDMO Cc1nn(C)c(N2CCC[C@@H]([N@@H+](C)Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000366828254 499087722 /nfs/dbraw/zinc/08/77/22/499087722.db2.gz ZCCIVRSNTAVAGJ-QGZVFWFLSA-N 1 1 357.458 3.128 20 5 FGBDMO CO[C@@H]1CC[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1(C)C ZINC000295799484 499103938 /nfs/dbraw/zinc/10/39/38/499103938.db2.gz AZAQRTVJPUYTPT-IUODEOHRSA-N 1 1 360.414 3.453 20 5 FGBDMO CC(=O)NCc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)o1 ZINC000366914077 499114413 /nfs/dbraw/zinc/11/44/13/499114413.db2.gz VGHVHZQKNXUJFA-KRWDZBQOSA-N 1 1 361.373 3.300 20 5 FGBDMO CC(=O)NCc1ccc([C@@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)o1 ZINC000366914077 499114415 /nfs/dbraw/zinc/11/44/15/499114415.db2.gz VGHVHZQKNXUJFA-KRWDZBQOSA-N 1 1 361.373 3.300 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@]3(C2)CCCOC3)c([N+](=O)[O-])cc1OC(F)F ZINC000367067079 499143080 /nfs/dbraw/zinc/14/30/80/499143080.db2.gz LVBNNSJFDYLZHT-QGZVFWFLSA-N 1 1 372.368 3.207 20 5 FGBDMO 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ZINC000369543396 499414932 /nfs/dbraw/zinc/41/49/32/499414932.db2.gz GGLYGHLRSDQNKM-PBHICJAKSA-N 1 1 374.466 3.149 20 5 FGBDMO CSc1cccc(C(=O)N2CCC([N@H+]3CCC[C@@H]3C)CC2)c1[N+](=O)[O-] ZINC000372379461 499426398 /nfs/dbraw/zinc/42/63/98/499426398.db2.gz YYTZEHATIPPTTG-ZDUSSCGKSA-N 1 1 363.483 3.406 20 5 FGBDMO Cc1cc(CN2CCC([N@@H+](C)Cc3ccc(C)c([N+](=O)[O-])c3)CC2)on1 ZINC000372409304 499430989 /nfs/dbraw/zinc/43/09/89/499430989.db2.gz DNBRGDPDFZVHAH-UHFFFAOYSA-N 1 1 358.442 3.296 20 5 FGBDMO C[N@H+]1CC[C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000369672727 499435149 /nfs/dbraw/zinc/43/51/49/499435149.db2.gz SDHIKVCRHSSRCO-KSSFIOAISA-N 1 1 359.451 3.008 20 5 FGBDMO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000373323690 499463483 /nfs/dbraw/zinc/46/34/83/499463483.db2.gz YROONHUPRZIQGK-GXTWGEPZSA-N 1 1 371.359 3.104 20 5 FGBDMO C[N@H+]1CCCC12CCN(C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)CC2 ZINC000375154891 499490241 /nfs/dbraw/zinc/49/02/41/499490241.db2.gz VTZNQHLSJLWFLJ-UHFFFAOYSA-N 1 1 363.433 3.098 20 5 FGBDMO C[C@H]1[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCC12CCOCC2 ZINC000375236931 499497981 /nfs/dbraw/zinc/49/79/81/499497981.db2.gz KUXWBIBPBJVUGV-OAHLLOKOSA-N 1 1 370.453 3.386 20 5 FGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375277939 499502541 /nfs/dbraw/zinc/50/25/41/499502541.db2.gz KDQWKRDXBOKNBG-SCLBCKFNSA-N 1 1 358.398 3.208 20 5 FGBDMO C[N@H+]1CC[C@@H]2CCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@H]21 ZINC000378479310 499522468 /nfs/dbraw/zinc/52/24/68/499522468.db2.gz XDHMFURJYSGDEZ-CXAGYDPISA-N 1 1 358.467 3.244 20 5 FGBDMO Cc1noc(C2(C)CC[NH+](Cc3cc([N+](=O)[O-])ccc3Cl)CC2)n1 ZINC000378567613 499532611 /nfs/dbraw/zinc/53/26/11/499532611.db2.gz NMUZGMQLOXZOLJ-UHFFFAOYSA-N 1 1 350.806 3.493 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000397958662 499565144 /nfs/dbraw/zinc/56/51/44/499565144.db2.gz CQVUZCWEWNRPFH-YOEHRIQHSA-N 1 1 365.437 3.216 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000408411613 499587640 /nfs/dbraw/zinc/58/76/40/499587640.db2.gz JCXUVULFDULEGY-JSGCOSHPSA-N 1 1 351.834 3.255 20 5 FGBDMO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000377284051 499676506 /nfs/dbraw/zinc/67/65/06/499676506.db2.gz XZLHHNJLSFRPPQ-HNNXBMFYSA-N 1 1 358.373 3.351 20 5 FGBDMO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000377284051 499676508 /nfs/dbraw/zinc/67/65/08/499676508.db2.gz XZLHHNJLSFRPPQ-HNNXBMFYSA-N 1 1 358.373 3.351 20 5 FGBDMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411123917 499700309 /nfs/dbraw/zinc/70/03/09/499700309.db2.gz FZEFZTGWFKXTGJ-YSIASYRMSA-N 1 1 365.433 3.089 20 5 FGBDMO CC(=O)c1ccc(NC[C@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000377703513 499722523 /nfs/dbraw/zinc/72/25/23/499722523.db2.gz MQVUBOMHYBGUFJ-DNVCBOLYSA-N 1 1 371.441 3.026 20 5 FGBDMO CC(=O)c1ccc(NC[C@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000377703513 499722524 /nfs/dbraw/zinc/72/25/24/499722524.db2.gz MQVUBOMHYBGUFJ-DNVCBOLYSA-N 1 1 371.441 3.026 20 5 FGBDMO CC[C@H](CSC)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411449342 499741740 /nfs/dbraw/zinc/74/17/40/499741740.db2.gz SSBITRAOKRETKM-GFCCVEGCSA-N 1 1 355.460 3.005 20 5 FGBDMO CSc1ccccc1NC(=O)CC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000411482341 499746205 /nfs/dbraw/zinc/74/62/05/499746205.db2.gz STNVOQCSMMRQGV-UHFFFAOYSA-N 1 1 372.450 3.099 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C1(C(F)F)CCCCC1 ZINC000411720038 499782848 /nfs/dbraw/zinc/78/28/48/499782848.db2.gz OWGXRHDSGWSNSX-UHFFFAOYSA-N 1 1 371.384 3.490 20 5 FGBDMO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000414479968 499797539 /nfs/dbraw/zinc/79/75/39/499797539.db2.gz JIVZIDZLMVUAFO-UHFFFAOYSA-N 1 1 368.842 3.332 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3CCCC(F)(F)[C@@H]3O)cs2)c1 ZINC000414537993 499804968 /nfs/dbraw/zinc/80/49/68/499804968.db2.gz PUFYXGCMWQNVQE-UONOGXRCSA-N 1 1 369.393 3.357 20 5 FGBDMO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000412053212 499817800 /nfs/dbraw/zinc/81/78/00/499817800.db2.gz FBHBACSJYJLSJE-CQSZACIVSA-N 1 1 351.834 3.225 20 5 FGBDMO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000412053212 499817801 /nfs/dbraw/zinc/81/78/01/499817801.db2.gz FBHBACSJYJLSJE-CQSZACIVSA-N 1 1 351.834 3.225 20 5 FGBDMO C[NH2+]CCCNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000414856865 499838577 /nfs/dbraw/zinc/83/85/77/499838577.db2.gz BCFJXNQNPBKBMD-UHFFFAOYSA-N 1 1 365.437 3.147 20 5 FGBDMO COc1cc(CN[C@H](C)CC[NH3+])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414900975 499843079 /nfs/dbraw/zinc/84/30/79/499843079.db2.gz WQTMDGPGHLZXIG-CQSZACIVSA-N 1 1 359.426 3.009 20 5 FGBDMO O=[N+]([O-])c1cnc(N2CCC[N@H+](C3CCCC3)CC2)c(C(F)(F)F)c1 ZINC000413157944 499920539 /nfs/dbraw/zinc/92/05/39/499920539.db2.gz URCLRLSTHMQDIQ-UHFFFAOYSA-N 1 1 358.364 3.463 20 5 FGBDMO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(C(F)(F)F)c1 ZINC000413194193 499925367 /nfs/dbraw/zinc/92/53/67/499925367.db2.gz BIJRZBCIBYWWJZ-XHDPSFHLSA-N 1 1 370.375 3.462 20 5 FGBDMO Cc1cc[nH+]c(N2CCN(c3ncc([N+](=O)[O-])cc3C(F)(F)F)CC2)c1 ZINC000413213241 499927958 /nfs/dbraw/zinc/92/79/58/499927958.db2.gz YGYCZQZWIDVPPK-UHFFFAOYSA-N 1 1 367.331 3.039 20 5 FGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)n1 ZINC000429151746 500014548 /nfs/dbraw/zinc/01/45/48/500014548.db2.gz TZZIATLAMPFRGD-CQSZACIVSA-N 1 1 352.847 3.311 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000429163545 500017149 /nfs/dbraw/zinc/01/71/49/500017149.db2.gz VKNCSULOQUJCHF-ZDUSSCGKSA-N 1 1 352.847 3.348 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000429163545 500017151 /nfs/dbraw/zinc/01/71/51/500017151.db2.gz VKNCSULOQUJCHF-ZDUSSCGKSA-N 1 1 352.847 3.348 20 5 FGBDMO COc1ccccc1[C@@H](C)NC(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429254398 500035050 /nfs/dbraw/zinc/03/50/50/500035050.db2.gz KQLFVEZCRNDQFJ-CQSZACIVSA-N 1 1 371.437 3.306 20 5 FGBDMO CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000421394974 500037471 /nfs/dbraw/zinc/03/74/71/500037471.db2.gz UKULLTBDQYNTIC-QGZVFWFLSA-N 1 1 368.437 3.073 20 5 FGBDMO CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000421394974 500037473 /nfs/dbraw/zinc/03/74/73/500037473.db2.gz UKULLTBDQYNTIC-QGZVFWFLSA-N 1 1 368.437 3.073 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000425413528 500097004 /nfs/dbraw/zinc/09/70/04/500097004.db2.gz BPPWAOAUYIRYJV-WCQYABFASA-N 1 1 355.232 3.216 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCc2cccc(C)c2C1 ZINC000429566264 500104521 /nfs/dbraw/zinc/10/45/21/500104521.db2.gz CTHZTGVUZHKDNP-UHFFFAOYSA-N 1 1 369.421 3.299 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000425493142 500123096 /nfs/dbraw/zinc/12/30/96/500123096.db2.gz ONAAHUVJVYOYSV-OAHLLOKOSA-N 1 1 355.232 3.360 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000425493142 500123099 /nfs/dbraw/zinc/12/30/99/500123099.db2.gz ONAAHUVJVYOYSV-OAHLLOKOSA-N 1 1 355.232 3.360 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425551521 500142294 /nfs/dbraw/zinc/14/22/94/500142294.db2.gz JSQCPNBHOYHIKZ-RDTXWAMCSA-N 1 1 373.453 3.203 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000421794009 500152377 /nfs/dbraw/zinc/15/23/77/500152377.db2.gz ZKACBXKDLQWYCV-ROUUACIJSA-N 1 1 353.422 3.039 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(Oc2cc(C)ccn2)CC1 ZINC000430208834 500209328 /nfs/dbraw/zinc/20/93/28/500209328.db2.gz PQAICRLWTLDCKW-UHFFFAOYSA-N 1 1 357.410 3.350 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](Cc1nc(C)no1)c1ccccc1 ZINC000430236072 500212946 /nfs/dbraw/zinc/21/29/46/500212946.db2.gz MTZUTIHIVZVNHH-QGZVFWFLSA-N 1 1 368.393 3.368 20 5 FGBDMO C[C@H](c1ccccc1[N+](=O)[O-])N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425966622 500217690 /nfs/dbraw/zinc/21/76/90/500217690.db2.gz LJIIBPAOHVEFBP-UTKZUKDTSA-N 1 1 369.465 3.225 20 5 FGBDMO CCc1ccc(C(=O)NCC[N@H+](CC)CCC(F)(F)F)cc1[N+](=O)[O-] ZINC000427218497 500369275 /nfs/dbraw/zinc/36/92/75/500369275.db2.gz LYAOBGOMTSHJET-UHFFFAOYSA-N 1 1 361.364 3.161 20 5 FGBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437200918 500613154 /nfs/dbraw/zinc/61/31/54/500613154.db2.gz VUVNZYUYDCGXFB-NEPJUHHUSA-N 1 1 373.375 3.464 20 5 FGBDMO CCc1ccc([C@H]2CC[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000433072042 500619709 /nfs/dbraw/zinc/61/97/09/500619709.db2.gz MVFKFIYKVAGUCV-AZUAARDMSA-N 1 1 370.449 3.386 20 5 FGBDMO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000447682331 500645550 /nfs/dbraw/zinc/64/55/50/500645550.db2.gz XPWKLMHXNDZDNE-QMMMGPOBSA-N 1 1 366.290 3.293 20 5 FGBDMO C[C@@H](C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(F)cc1 ZINC000438129619 500742227 /nfs/dbraw/zinc/74/22/27/500742227.db2.gz RXZMPJILAADKED-HNNXBMFYSA-N 1 1 371.412 3.295 20 5 FGBDMO Cn1cc[nH+]c1CC1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000448314293 500747100 /nfs/dbraw/zinc/74/71/00/500747100.db2.gz YVEWTUCQOIHCNJ-UHFFFAOYSA-N 1 1 370.453 3.087 20 5 FGBDMO COc1ccc([C@H]2CC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)cc1 ZINC000444625187 500868924 /nfs/dbraw/zinc/86/89/24/500868924.db2.gz HOZRVXSCWICYLR-AWEZNQCLSA-N 1 1 352.394 3.469 20 5 FGBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444707270 500884330 /nfs/dbraw/zinc/88/43/30/500884330.db2.gz PKRCBCIAVBXINS-LLVKDONJSA-N 1 1 373.331 3.167 20 5 FGBDMO Cc1cc(C[N@@H+](C)[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)ccc1F ZINC000444746522 500892843 /nfs/dbraw/zinc/89/28/43/500892843.db2.gz YGCYSRHDPBZUHV-SFHVURJKSA-N 1 1 357.385 3.280 20 5 FGBDMO Cc1cc(C[N@H+](C)[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)ccc1F ZINC000444746522 500892846 /nfs/dbraw/zinc/89/28/46/500892846.db2.gz YGCYSRHDPBZUHV-SFHVURJKSA-N 1 1 357.385 3.280 20 5 FGBDMO C[C@@H](C[N@H+](C)Cc1ccccc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000449012220 500896755 /nfs/dbraw/zinc/89/67/55/500896755.db2.gz ZTHWDIXUBKGDTM-AWEZNQCLSA-N 1 1 362.451 3.234 20 5 FGBDMO C[C@@H](C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000449012220 500896757 /nfs/dbraw/zinc/89/67/57/500896757.db2.gz ZTHWDIXUBKGDTM-AWEZNQCLSA-N 1 1 362.451 3.234 20 5 FGBDMO O=[N+]([O-])c1ccc2oc(CN3CCC[N@@H+](Cc4ccccc4)CC3)nc2c1 ZINC000434834192 500900422 /nfs/dbraw/zinc/90/04/22/500900422.db2.gz OLVSFQOYDKZQNR-UHFFFAOYSA-N 1 1 366.421 3.444 20 5 FGBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H](O)COc1ccccc1 ZINC000444805164 500904022 /nfs/dbraw/zinc/90/40/22/500904022.db2.gz SXTQSCLTUWWDIL-KRWDZBQOSA-N 1 1 362.401 3.384 20 5 FGBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H](O)COc1ccccc1 ZINC000444805164 500904026 /nfs/dbraw/zinc/90/40/26/500904026.db2.gz SXTQSCLTUWWDIL-KRWDZBQOSA-N 1 1 362.401 3.384 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)C1CCN(c2cnccn2)CC1 ZINC000435036991 500925752 /nfs/dbraw/zinc/92/57/52/500925752.db2.gz UTNBTKKMSFIAEE-FOWTUZBSSA-N 1 1 367.453 3.389 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000439881037 500949394 /nfs/dbraw/zinc/94/93/94/500949394.db2.gz BGCWUIXIJUKTDG-ZIAGYGMSSA-N 1 1 364.446 3.378 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@H](O)C[C@@H]3[C@H]3CCCOC3)o2)cc1 ZINC000449431943 501001987 /nfs/dbraw/zinc/00/19/87/501001987.db2.gz FDXSLRAYTIEGQG-KVSKMBFKSA-N 1 1 372.421 3.217 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@H](OC)[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000449491878 501017145 /nfs/dbraw/zinc/01/71/45/501017145.db2.gz AYEYYMOYZONRHD-FZMZJTMJSA-N 1 1 374.384 3.104 20 5 FGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](C)(NCC(=O)OC(C)(C)C)C1 ZINC000440517057 501017789 /nfs/dbraw/zinc/01/77/89/501017789.db2.gz HRUHQIGPPJGQGS-KUHUBIRLSA-N 1 1 363.458 3.052 20 5 FGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@](C)(NCC(=O)OC(C)(C)C)C1 ZINC000440517057 501017792 /nfs/dbraw/zinc/01/77/92/501017792.db2.gz HRUHQIGPPJGQGS-KUHUBIRLSA-N 1 1 363.458 3.052 20 5 FGBDMO Cn1cc(C[NH2+]Cc2cnc(C3CC3)o2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449701876 501065664 /nfs/dbraw/zinc/06/56/64/501065664.db2.gz XQNBOBYWMFXGJA-UHFFFAOYSA-N 1 1 353.382 3.151 20 5 FGBDMO COCC1(C[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000449743019 501072698 /nfs/dbraw/zinc/07/26/98/501072698.db2.gz UAPIUGXZTDMVAA-QGZVFWFLSA-N 1 1 358.442 3.214 20 5 FGBDMO CCOC(=O)[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)Cc2ccccc21 ZINC000441125084 501091456 /nfs/dbraw/zinc/09/14/56/501091456.db2.gz MLQQFXWFKSAPDD-IBGZPJMESA-N 1 1 370.405 3.136 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000446347362 501107967 /nfs/dbraw/zinc/10/79/67/501107967.db2.gz YJZAIFIHQHUUKF-AWEZNQCLSA-N 1 1 351.834 3.303 20 5 FGBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000436398165 501120028 /nfs/dbraw/zinc/12/00/28/501120028.db2.gz CNTVEYBVWIHCKH-LBPRGKRZSA-N 1 1 358.364 3.177 20 5 FGBDMO CC(C)c1ccc(C[NH2+][C@]2(CO)CCOc3ccccc32)cc1[N+](=O)[O-] ZINC000441327482 501121151 /nfs/dbraw/zinc/12/11/51/501121151.db2.gz HHSSJXBUFWOZTB-FQEVSTJZSA-N 1 1 356.422 3.478 20 5 FGBDMO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000436407494 501121957 /nfs/dbraw/zinc/12/19/57/501121957.db2.gz TVUQVNMRMAJLSI-YPMHNXCESA-N 1 1 370.375 3.462 20 5 FGBDMO C[C@@H]1Cc2c([nH+]cn2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1C ZINC000450995239 501237667 /nfs/dbraw/zinc/23/76/67/501237667.db2.gz DQPAFKRYMCRRDI-NWDGAFQWSA-N 1 1 353.382 3.260 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)CCc1ccccc1C ZINC000451171853 501249795 /nfs/dbraw/zinc/24/97/95/501249795.db2.gz UJVAHBOOGGCQBV-OAHLLOKOSA-N 1 1 371.437 3.413 20 5 FGBDMO C[C@H]1Cc2[nH+]cn(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c2C[C@@H]1C ZINC000451334706 501268768 /nfs/dbraw/zinc/26/87/68/501268768.db2.gz BCUHUZBWTGBJIA-QWRGUYRKSA-N 1 1 362.817 3.454 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451367939 501276857 /nfs/dbraw/zinc/27/68/57/501276857.db2.gz KVAYPLJMAVHEIC-KGZPDETFSA-N 1 1 371.437 3.076 20 5 FGBDMO CC1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)CC1 ZINC000453242144 501297439 /nfs/dbraw/zinc/29/74/39/501297439.db2.gz VJQCYUYSHMQBSG-UHFFFAOYSA-N 1 1 357.414 3.235 20 5 FGBDMO Cn1cc(C[NH+]2CCC([C@H](F)c3ccccc3F)CC2)c([N+](=O)[O-])n1 ZINC000602652416 506245082 /nfs/dbraw/zinc/24/50/82/506245082.db2.gz ZEGQFDTXTFXUJV-INIZCTEOSA-N 1 1 350.369 3.390 20 5 FGBDMO CC(C)O[C@@H]1C[C@H]([NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1(C)C ZINC000451497427 501307148 /nfs/dbraw/zinc/30/71/48/501307148.db2.gz MTZUBTIMNXYNGV-LSDHHAIUSA-N 1 1 360.414 3.327 20 5 FGBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](c3cccc(Br)c3)C2)c1 ZINC000451564903 501326213 /nfs/dbraw/zinc/32/62/13/501326213.db2.gz HBRJSXDSUDJUQU-ZDUSSCGKSA-N 1 1 365.231 3.043 20 5 FGBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](c3cccc(Br)c3)C2)c1 ZINC000451564903 501326215 /nfs/dbraw/zinc/32/62/15/501326215.db2.gz HBRJSXDSUDJUQU-ZDUSSCGKSA-N 1 1 365.231 3.043 20 5 FGBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000451730794 501361662 /nfs/dbraw/zinc/36/16/62/501361662.db2.gz CBMXOWGNIGRDLB-DLBZAZTESA-N 1 1 364.833 3.033 20 5 FGBDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)NCCc1ccccc1 ZINC000453640247 501368779 /nfs/dbraw/zinc/36/87/79/501368779.db2.gz XAPLIOZJGXSVAW-CYBMUJFWSA-N 1 1 361.829 3.085 20 5 FGBDMO COC(=O)[C@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000452012940 501418316 /nfs/dbraw/zinc/41/83/16/501418316.db2.gz YDVXSKBYJCNIGM-GJZGRUSLSA-N 1 1 358.369 3.123 20 5 FGBDMO COc1cc(C[N@@H+](C)C2CCN(CC(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000452029206 501420678 /nfs/dbraw/zinc/42/06/78/501420678.db2.gz DBVCBVXFSNHLPJ-UHFFFAOYSA-N 1 1 361.364 3.062 20 5 FGBDMO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCN(CC(F)(F)F)CC1 ZINC000452030247 501421040 /nfs/dbraw/zinc/42/10/40/501421040.db2.gz GMRHKMZKRYHWCR-UHFFFAOYSA-N 1 1 367.318 3.332 20 5 FGBDMO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCN(CC(F)(F)F)CC1 ZINC000452030247 501421042 /nfs/dbraw/zinc/42/10/42/501421042.db2.gz GMRHKMZKRYHWCR-UHFFFAOYSA-N 1 1 367.318 3.332 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000452580734 501526849 /nfs/dbraw/zinc/52/68/49/501526849.db2.gz QQBKZGROSNTBKR-LLVKDONJSA-N 1 1 351.834 3.113 20 5 FGBDMO C[C@H](C(=O)N1CC[NH2+][C@@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000457028792 501637235 /nfs/dbraw/zinc/63/72/35/501637235.db2.gz QRHDZKCJEPPNRS-SCLBCKFNSA-N 1 1 357.385 3.011 20 5 FGBDMO C[C@H]1CN(c2ccccc2C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])CCO1 ZINC000459543857 501673300 /nfs/dbraw/zinc/67/33/00/501673300.db2.gz MYUFHJHOHMOVJG-KRWDZBQOSA-N 1 1 369.465 3.494 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000474570094 501878831 /nfs/dbraw/zinc/87/88/31/501878831.db2.gz KCVKJYXSSVWYPT-UHFFFAOYSA-N 1 1 351.472 3.263 20 5 FGBDMO COc1ccc(-c2ccc(C[N@@H+]3CCO[C@H](C4CC4)C3)o2)c([N+](=O)[O-])c1 ZINC000485712367 501911098 /nfs/dbraw/zinc/91/10/98/501911098.db2.gz SMDZDQLYQKTREG-IBGZPJMESA-N 1 1 358.394 3.474 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+]3CCO[C@H](C4CC4)C3)o2)c([N+](=O)[O-])c1 ZINC000485712367 501911101 /nfs/dbraw/zinc/91/11/01/501911101.db2.gz SMDZDQLYQKTREG-IBGZPJMESA-N 1 1 358.394 3.474 20 5 FGBDMO COc1cc(C(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)cc([N+](=O)[O-])c1C ZINC000478346014 501950690 /nfs/dbraw/zinc/95/06/90/501950690.db2.gz RBTMVHVDSDQAOR-MRXNPFEDSA-N 1 1 363.458 3.152 20 5 FGBDMO CCOc1cc(NC[C@@H](CC(C)C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000471255225 501968265 /nfs/dbraw/zinc/96/82/65/501968265.db2.gz REWYIUZRSDQILS-MRXNPFEDSA-N 1 1 351.447 3.152 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000461263910 502055875 /nfs/dbraw/zinc/05/58/75/502055875.db2.gz KLBKQIGYQPGLNP-GJZGRUSLSA-N 1 1 365.499 3.408 20 5 FGBDMO COc1cc(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000464675502 502061132 /nfs/dbraw/zinc/06/11/32/502061132.db2.gz ANQRRWFRNRCNOK-KRWDZBQOSA-N 1 1 373.428 3.449 20 5 FGBDMO Cc1c(CNC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000478758738 502078212 /nfs/dbraw/zinc/07/82/12/502078212.db2.gz HBQMYMDTBXXHFU-OAHLLOKOSA-N 1 1 362.474 3.357 20 5 FGBDMO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)CCO2 ZINC000475289643 502120575 /nfs/dbraw/zinc/12/05/75/502120575.db2.gz BKEDAHSXLPYUKY-AUUYWEPGSA-N 1 1 358.394 3.235 20 5 FGBDMO C[C@H]1OCC[C@@]12C[N@@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)CCO2 ZINC000475289643 502120577 /nfs/dbraw/zinc/12/05/77/502120577.db2.gz BKEDAHSXLPYUKY-AUUYWEPGSA-N 1 1 358.394 3.235 20 5 FGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000468635563 502132873 /nfs/dbraw/zinc/13/28/73/502132873.db2.gz QSBFFZLHWLDPOQ-MUMAZLPKSA-N 1 1 359.470 3.089 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000475338704 502140586 /nfs/dbraw/zinc/14/05/86/502140586.db2.gz YEPZGKLDWWMQGI-BGYRXZFFSA-N 1 1 351.450 3.467 20 5 FGBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461545136 502140879 /nfs/dbraw/zinc/14/08/79/502140879.db2.gz LZRNAOCKQMZSPQ-NSHDSACASA-N 1 1 361.364 3.464 20 5 FGBDMO Cc1ncc(CNC(=O)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)s1 ZINC000602784348 506296716 /nfs/dbraw/zinc/29/67/16/506296716.db2.gz OADSIYXRYWZPRD-UHFFFAOYSA-N 1 1 374.466 3.031 20 5 FGBDMO COc1cccc(N2CC[NH+](C/C=C\c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000475424133 502168007 /nfs/dbraw/zinc/16/80/07/502168007.db2.gz RKUJJMQBFNISGD-TWGQIWQCSA-N 1 1 353.422 3.439 20 5 FGBDMO COc1ccc(CCC2CC[NH+](Cc3c([N+](=O)[O-])ncn3C)CC2)cc1 ZINC000475527968 502204648 /nfs/dbraw/zinc/20/46/48/502204648.db2.gz IWCPARJBHYJYBJ-UHFFFAOYSA-N 1 1 358.442 3.182 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@@H]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000475558941 502212606 /nfs/dbraw/zinc/21/26/06/502212606.db2.gz LZGBQAZLMLQURY-UKRRQHHQSA-N 1 1 350.415 3.157 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@@H](C)c2cccs2)cc1[N+](=O)[O-] ZINC000475563974 502213958 /nfs/dbraw/zinc/21/39/58/502213958.db2.gz ROUAIKMCRMTBDO-LBPRGKRZSA-N 1 1 364.423 3.401 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+](C)CC2CCCCC2)cc1[N+](=O)[O-] ZINC000475569709 502214634 /nfs/dbraw/zinc/21/46/34/502214634.db2.gz BCWPVELVHVJPMW-UHFFFAOYSA-N 1 1 350.415 3.159 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000475614186 502228025 /nfs/dbraw/zinc/22/80/25/502228025.db2.gz FLNJSDWZJVOLHJ-HNNXBMFYSA-N 1 1 364.442 3.405 20 5 FGBDMO Cc1cc(NC[C@@H]2C[N@@H+](C3CC3)CCO2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461947495 502248385 /nfs/dbraw/zinc/24/83/85/502248385.db2.gz JUQINKIZPFUHCO-GFCCVEGCSA-N 1 1 359.348 3.197 20 5 FGBDMO Cc1cc(NC[C@@H]2C[N@H+](C3CC3)CCO2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461947495 502248388 /nfs/dbraw/zinc/24/83/88/502248388.db2.gz JUQINKIZPFUHCO-GFCCVEGCSA-N 1 1 359.348 3.197 20 5 FGBDMO Cc1cc(N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)c(F)cc1[N+](=O)[O-] ZINC000461958443 502252563 /nfs/dbraw/zinc/25/25/63/502252563.db2.gz ODLGFMPFPDLNHP-LPHOPBHVSA-N 1 1 373.428 3.337 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+](C)C[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000475721931 502264147 /nfs/dbraw/zinc/26/41/47/502264147.db2.gz HWHHEGZXQVPDCH-OAHLLOKOSA-N 1 1 372.421 3.382 20 5 FGBDMO CC(C)(C)[C@H]1CCC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000483259791 502331366 /nfs/dbraw/zinc/33/13/66/502331366.db2.gz NPIINGUHOCQETQ-LBPRGKRZSA-N 1 1 363.414 3.020 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000462193483 502344193 /nfs/dbraw/zinc/34/41/93/502344193.db2.gz QYWVFCNMAYXIER-SCLBCKFNSA-N 1 1 373.840 3.499 20 5 FGBDMO COc1c(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000476231445 502422043 /nfs/dbraw/zinc/42/20/43/502422043.db2.gz DJLKNDMXAQIQFC-HNNXBMFYSA-N 1 1 371.437 3.244 20 5 FGBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000480103370 502473435 /nfs/dbraw/zinc/47/34/35/502473435.db2.gz DABSLGYXSSLONZ-UHFFFAOYSA-N 1 1 363.506 3.458 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2cc[nH+]c3ccsc32)CC1 ZINC000462850228 502600102 /nfs/dbraw/zinc/60/01/02/502600102.db2.gz HLSPHLHGUKOFEG-UHFFFAOYSA-N 1 1 368.418 3.167 20 5 FGBDMO COc1cc(N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000480586534 502611603 /nfs/dbraw/zinc/61/16/03/502611603.db2.gz VUSKKDHMDLNDCX-IYBDPMFKSA-N 1 1 371.412 3.311 20 5 FGBDMO Cc1cc(N2CC[C@@H](c3[nH+]ccn3C)C2)c(Br)cc1[N+](=O)[O-] ZINC000473504101 502612919 /nfs/dbraw/zinc/61/29/19/502612919.db2.gz CHUDFRFNAIBWGP-LLVKDONJSA-N 1 1 365.231 3.393 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000462986384 502651054 /nfs/dbraw/zinc/65/10/54/502651054.db2.gz FQJOUFSRENNMEZ-IAGOWNOFSA-N 1 1 359.470 3.297 20 5 FGBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000470146671 502678159 /nfs/dbraw/zinc/67/81/59/502678159.db2.gz KTKHGEUFRWAOHB-WRSAYESZSA-N 1 1 371.462 3.409 20 5 FGBDMO Cc1cc(NC(=O)N2CC[NH+](CCc3cccs3)CC2)ccc1[N+](=O)[O-] ZINC000473788674 502707412 /nfs/dbraw/zinc/70/74/12/502707412.db2.gz QONWZGVQOSYIKH-UHFFFAOYSA-N 1 1 374.466 3.357 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](c2cccnc2)C1 ZINC000602857954 506329877 /nfs/dbraw/zinc/32/98/77/506329877.db2.gz ZKAMUOCWLZLMLD-INIZCTEOSA-N 1 1 354.410 3.116 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](c2cccnc2)C1 ZINC000602857954 506329882 /nfs/dbraw/zinc/32/98/82/506329882.db2.gz ZKAMUOCWLZLMLD-INIZCTEOSA-N 1 1 354.410 3.116 20 5 FGBDMO CC[N@@H+](Cc1ccc(OC)cc1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000488490433 502730764 /nfs/dbraw/zinc/73/07/64/502730764.db2.gz GZDNEIKTCYKKGU-IBGZPJMESA-N 1 1 369.421 3.231 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000488514976 502738729 /nfs/dbraw/zinc/73/87/29/502738729.db2.gz KLTOYOGWKQAGRA-HNAYVOBHSA-N 1 1 353.422 3.235 20 5 FGBDMO COCC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CC[C@H](C)C1 ZINC000484877750 502763281 /nfs/dbraw/zinc/76/32/81/502763281.db2.gz GAWDINOFGTYDRR-LSDHHAIUSA-N 1 1 352.431 3.119 20 5 FGBDMO COCC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H]1CC[C@@H](C)C1 ZINC000484894882 502768483 /nfs/dbraw/zinc/76/84/83/502768483.db2.gz PLMTWKJWVJDFKF-ZBFHGGJFSA-N 1 1 363.458 3.369 20 5 FGBDMO O=[N+]([O-])c1cc(F)c(CN2CC[NH+](Cc3cccs3)CC2)c(F)c1 ZINC000509280888 502867454 /nfs/dbraw/zinc/86/74/54/502867454.db2.gz YCAZQSCIZOYSCL-UHFFFAOYSA-N 1 1 353.394 3.252 20 5 FGBDMO C[C@H]1C[C@@H](c2ccccc2)[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000513230845 502885219 /nfs/dbraw/zinc/88/52/19/502885219.db2.gz FDKJMFFOEMQLDY-KXBFYZLASA-N 1 1 374.462 3.452 20 5 FGBDMO C[C@H]1C[C@@H](c2ccccc2)[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000513230845 502885221 /nfs/dbraw/zinc/88/52/21/502885221.db2.gz FDKJMFFOEMQLDY-KXBFYZLASA-N 1 1 374.462 3.452 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)c1 ZINC000593020694 506341412 /nfs/dbraw/zinc/34/14/12/506341412.db2.gz OTKMAJLFFWQWQM-MRXNPFEDSA-N 1 1 358.398 3.058 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)c1 ZINC000593020694 506341417 /nfs/dbraw/zinc/34/14/17/506341417.db2.gz OTKMAJLFFWQWQM-MRXNPFEDSA-N 1 1 358.398 3.058 20 5 FGBDMO CC(C)[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000513380465 502920581 /nfs/dbraw/zinc/92/05/81/502920581.db2.gz IDQDXIAQNDQKMU-QGZVFWFLSA-N 1 1 359.451 3.280 20 5 FGBDMO CC(C)[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000513380465 502920584 /nfs/dbraw/zinc/92/05/84/502920584.db2.gz IDQDXIAQNDQKMU-QGZVFWFLSA-N 1 1 359.451 3.280 20 5 FGBDMO COc1ccc(CCC[N@@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000497474505 502967265 /nfs/dbraw/zinc/96/72/65/502967265.db2.gz NLSDFWQWQYXUHJ-HNNXBMFYSA-N 1 1 371.437 3.495 20 5 FGBDMO C[C@H](CC[NH+]1CCOCC1)NC(=O)c1cc2ccccc2c2cccnc12 ZINC000509938356 503015475 /nfs/dbraw/zinc/01/54/75/503015475.db2.gz PEYBLSKHCJCKKV-MRXNPFEDSA-N 1 1 363.461 3.229 20 5 FGBDMO COc1cc(C[N@H+](C)CCOc2ccccc2C)c([N+](=O)[O-])cc1OC ZINC000506129093 503053791 /nfs/dbraw/zinc/05/37/91/503053791.db2.gz QQYRPEGXVRVNFF-UHFFFAOYSA-N 1 1 360.410 3.431 20 5 FGBDMO COc1cc(C[N@@H+](C)CCOc2ccccc2C)c([N+](=O)[O-])cc1OC ZINC000506129093 503053795 /nfs/dbraw/zinc/05/37/95/503053795.db2.gz QQYRPEGXVRVNFF-UHFFFAOYSA-N 1 1 360.410 3.431 20 5 FGBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593036387 506351213 /nfs/dbraw/zinc/35/12/13/506351213.db2.gz DSVQJDOPIFGUOF-KDOFPFPSSA-N 1 1 371.412 3.228 20 5 FGBDMO O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000506345494 503098095 /nfs/dbraw/zinc/09/80/95/503098095.db2.gz AUPUIKJBVDYTJI-INIZCTEOSA-N 1 1 361.442 3.075 20 5 FGBDMO O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506345494 503098097 /nfs/dbraw/zinc/09/80/97/503098097.db2.gz AUPUIKJBVDYTJI-INIZCTEOSA-N 1 1 361.442 3.075 20 5 FGBDMO O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506345494 503098100 /nfs/dbraw/zinc/09/81/00/503098100.db2.gz AUPUIKJBVDYTJI-INIZCTEOSA-N 1 1 361.442 3.075 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000506447975 503116177 /nfs/dbraw/zinc/11/61/77/503116177.db2.gz OZYHGFYJMUMJAP-MRXNPFEDSA-N 1 1 373.409 3.072 20 5 FGBDMO CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000506733266 503163054 /nfs/dbraw/zinc/16/30/54/503163054.db2.gz RTZGANULDLASQR-KRWDZBQOSA-N 1 1 369.421 3.037 20 5 FGBDMO CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000506733266 503163057 /nfs/dbraw/zinc/16/30/57/503163057.db2.gz RTZGANULDLASQR-KRWDZBQOSA-N 1 1 369.421 3.037 20 5 FGBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1C[N@@H+](C)C(C)C ZINC000506825407 503180423 /nfs/dbraw/zinc/18/04/23/503180423.db2.gz RJQRAHISKFSSHL-UHFFFAOYSA-N 1 1 370.453 3.407 20 5 FGBDMO C[C@@H](CSc1ccccc1)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000593046949 506358051 /nfs/dbraw/zinc/35/80/51/506358051.db2.gz VGFGMWBKVOJTNG-ZDUSSCGKSA-N 1 1 359.451 3.306 20 5 FGBDMO Cc1ccc(NCCCNC(=O)CC[C@@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000498561988 503212485 /nfs/dbraw/zinc/21/24/85/503212485.db2.gz BMJDDQPVLVJWJF-INIZCTEOSA-N 1 1 362.474 3.086 20 5 FGBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498654933 503233578 /nfs/dbraw/zinc/23/35/78/503233578.db2.gz QAJOQYFTOMZTEK-OAHLLOKOSA-N 1 1 370.453 3.383 20 5 FGBDMO Cc1ccc(OC[C@H](O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000511061287 503245117 /nfs/dbraw/zinc/24/51/17/503245117.db2.gz XVLQQDJXAOSWFQ-GOSISDBHSA-N 1 1 358.438 3.126 20 5 FGBDMO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511081368 503249857 /nfs/dbraw/zinc/24/98/57/503249857.db2.gz MLAKQFASEUMNIY-GFCCVEGCSA-N 1 1 363.364 3.375 20 5 FGBDMO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511081368 503249861 /nfs/dbraw/zinc/24/98/61/503249861.db2.gz MLAKQFASEUMNIY-GFCCVEGCSA-N 1 1 363.364 3.375 20 5 FGBDMO Cc1oc2nc(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])nc(N)c2c1C ZINC000511105396 503255493 /nfs/dbraw/zinc/25/54/93/503255493.db2.gz DYCDDBABQVPRPK-UHFFFAOYSA-N 1 1 355.398 3.005 20 5 FGBDMO Cc1oc2nc(C[N@@H+](C)CCc3ccccc3[N+](=O)[O-])nc(N)c2c1C ZINC000511105396 503255500 /nfs/dbraw/zinc/25/55/00/503255500.db2.gz DYCDDBABQVPRPK-UHFFFAOYSA-N 1 1 355.398 3.005 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000511206141 503279817 /nfs/dbraw/zinc/27/98/17/503279817.db2.gz LGCAAJHRZSNKHH-KRWDZBQOSA-N 1 1 353.422 3.298 20 5 FGBDMO CCc1cc(N(C)[C@@H]2CC[N@H+](C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000498912368 503291268 /nfs/dbraw/zinc/29/12/68/503291268.db2.gz USRIZQSKDKQKFA-GOSISDBHSA-N 1 1 367.453 3.287 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000511332576 503301334 /nfs/dbraw/zinc/30/13/34/503301334.db2.gz IWQIYQDFSLSRME-ZDUSSCGKSA-N 1 1 363.483 3.477 20 5 FGBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+](C)[C@@H]2CCC[C@H]2O)cc1OC ZINC000511553453 503343018 /nfs/dbraw/zinc/34/30/18/503343018.db2.gz JTSZLUHQKUTJHA-FRFSOERESA-N 1 1 366.458 3.374 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(Oc2ccccn2)CC1 ZINC000507670636 503343655 /nfs/dbraw/zinc/34/36/55/503343655.db2.gz WMBFRZCNPZUMOA-UHFFFAOYSA-N 1 1 357.410 3.432 20 5 FGBDMO CCOc1cc(C[N@@H+]2C[C@H](CC)N(C(C)=O)C[C@H]2CC)ccc1[N+](=O)[O-] ZINC000492647126 503378635 /nfs/dbraw/zinc/37/86/35/503378635.db2.gz CSHXXAUNIIKOFY-SJORKVTESA-N 1 1 363.458 3.215 20 5 FGBDMO CCOc1cc(C[N@H+]2C[C@H](CC)N(C(C)=O)C[C@H]2CC)ccc1[N+](=O)[O-] ZINC000492647126 503378639 /nfs/dbraw/zinc/37/86/39/503378639.db2.gz CSHXXAUNIIKOFY-SJORKVTESA-N 1 1 363.458 3.215 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000499423464 503399567 /nfs/dbraw/zinc/39/95/67/503399567.db2.gz PMPWOTUKTYMMFM-DLBZAZTESA-N 1 1 367.449 3.259 20 5 FGBDMO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)n1 ZINC000493029089 503401154 /nfs/dbraw/zinc/40/11/54/503401154.db2.gz FAFBDECIAFGLBM-AWEZNQCLSA-N 1 1 363.849 3.369 20 5 FGBDMO Cc1nc(C)n(C[C@H]2CCC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)n1 ZINC000493029089 503401156 /nfs/dbraw/zinc/40/11/56/503401156.db2.gz FAFBDECIAFGLBM-AWEZNQCLSA-N 1 1 363.849 3.369 20 5 FGBDMO NC(=O)c1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000511873654 503405297 /nfs/dbraw/zinc/40/52/97/503405297.db2.gz OXUBERXAGBHMNJ-IPMKNSEASA-N 1 1 365.433 3.462 20 5 FGBDMO CC[N@H+]1C[C@H](C)N(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1C ZINC000499565940 503432532 /nfs/dbraw/zinc/43/25/32/503432532.db2.gz VVNWSLCOXLGZLM-MNOVXSKESA-N 1 1 372.372 3.143 20 5 FGBDMO CC(C)N1C[C@H]([NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000493994878 503471701 /nfs/dbraw/zinc/47/17/01/503471701.db2.gz ATPJCAPZMTYMTJ-YLJYHZDGSA-N 1 1 353.422 3.283 20 5 FGBDMO C[N@@H+](Cc1cccc2[nH]ccc21)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000494028080 503477557 /nfs/dbraw/zinc/47/75/57/503477557.db2.gz PGXHLQXPNIMBCP-LJQANCHMSA-N 1 1 364.405 3.313 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCCC[C@@H]1C[C@@H](C)O ZINC000512473951 503564069 /nfs/dbraw/zinc/56/40/69/503564069.db2.gz HFLYXORMXIHZLV-HZPDHXFCSA-N 1 1 363.458 3.247 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000494700781 503596057 /nfs/dbraw/zinc/59/60/57/503596057.db2.gz XGZKDJHOJQLPNJ-OAHLLOKOSA-N 1 1 371.437 3.244 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000494705462 503597022 /nfs/dbraw/zinc/59/70/22/503597022.db2.gz WRMDAJVSURUEDD-KRWDZBQOSA-N 1 1 361.442 3.123 20 5 FGBDMO CN(C)c1cc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc[nH+]1 ZINC000500414562 503618736 /nfs/dbraw/zinc/61/87/36/503618736.db2.gz DTMGARCHDLYKGY-UHFFFAOYSA-N 1 1 369.406 3.432 20 5 FGBDMO COCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccc2c(c1)OCO2 ZINC000512769457 503628276 /nfs/dbraw/zinc/62/82/76/503628276.db2.gz UWMZZTZEQDVCCP-UHFFFAOYSA-N 1 1 358.394 3.015 20 5 FGBDMO C[C@@H](CCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000593084969 506383122 /nfs/dbraw/zinc/38/31/22/506383122.db2.gz UZTZYPWQHGJMRP-HNNXBMFYSA-N 1 1 373.428 3.303 20 5 FGBDMO CCN1CC[C@@H]([N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000532988506 503690474 /nfs/dbraw/zinc/69/04/74/503690474.db2.gz XWFZAIAEZIWYAK-GDBMZVCRSA-N 1 1 362.474 3.036 20 5 FGBDMO CCN1CC[C@@H]([N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000532988506 503690479 /nfs/dbraw/zinc/69/04/79/503690479.db2.gz XWFZAIAEZIWYAK-GDBMZVCRSA-N 1 1 362.474 3.036 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)c2ncc([N+](=O)[O-])c(C)c2Br)[C@H](C)C1 ZINC000543434692 503768621 /nfs/dbraw/zinc/76/86/21/503768621.db2.gz FJSNULGVVQCMLW-ZYHUDNBSSA-N 1 1 371.279 3.227 20 5 FGBDMO C[C@@H](C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000543521874 503801337 /nfs/dbraw/zinc/80/13/37/503801337.db2.gz SQZDUJOSUCJCMV-HZSPNIEDSA-N 1 1 351.422 3.217 20 5 FGBDMO C[C@@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1=O)c1ccccc1[N+](=O)[O-] ZINC000537176369 503827926 /nfs/dbraw/zinc/82/79/26/503827926.db2.gz DSBORDDIMIILAS-ABAIWWIYSA-N 1 1 361.348 3.329 20 5 FGBDMO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)O1 ZINC000541069013 503994215 /nfs/dbraw/zinc/99/42/15/503994215.db2.gz QQVOJMWOGLXWII-CKEIUWERSA-N 1 1 367.877 3.322 20 5 FGBDMO C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)O1 ZINC000541069013 503994221 /nfs/dbraw/zinc/99/42/21/503994221.db2.gz QQVOJMWOGLXWII-CKEIUWERSA-N 1 1 367.877 3.322 20 5 FGBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000534108059 504041292 /nfs/dbraw/zinc/04/12/92/504041292.db2.gz LKOPMTCXHLXKRO-MRXNPFEDSA-N 1 1 370.453 3.414 20 5 FGBDMO CC(C)COc1cccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000538308104 504199728 /nfs/dbraw/zinc/19/97/28/504199728.db2.gz JHGACSDVCOXZJB-UHFFFAOYSA-N 1 1 370.453 3.347 20 5 FGBDMO COc1ccc(CN2CC[NH+](Cc3ccc([N+](=O)[O-])cc3C)CC2)cc1F ZINC000541772477 504249802 /nfs/dbraw/zinc/24/98/02/504249802.db2.gz BLDRMDDCMSCBBB-UHFFFAOYSA-N 1 1 373.428 3.369 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c1 ZINC000542041709 504345816 /nfs/dbraw/zinc/34/58/16/504345816.db2.gz GDYUHQALICKYRJ-IJEWVQPXSA-N 1 1 361.442 3.223 20 5 FGBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000545156358 504377894 /nfs/dbraw/zinc/37/78/94/504377894.db2.gz PIWMWJSAYSMADV-UONOGXRCSA-N 1 1 365.449 3.248 20 5 FGBDMO O=[N+]([O-])c1ccccc1N1CCN(c2cc[nH+]cc2Br)CC1 ZINC000545240186 504412097 /nfs/dbraw/zinc/41/20/97/504412097.db2.gz OYAAZBXGRKJXRR-UHFFFAOYSA-N 1 1 363.215 3.079 20 5 FGBDMO C[NH+](C)[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1cccc(Cl)c1 ZINC000531774375 504420179 /nfs/dbraw/zinc/42/01/79/504420179.db2.gz IUYZDOSAGFYCMZ-GOSISDBHSA-N 1 1 373.840 3.436 20 5 FGBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)C3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000538942601 504424045 /nfs/dbraw/zinc/42/40/45/504424045.db2.gz IINIVBJPVXMJIM-KGLIPLIRSA-N 1 1 361.442 3.443 20 5 FGBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)C3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000538942601 504424051 /nfs/dbraw/zinc/42/40/51/504424051.db2.gz IINIVBJPVXMJIM-KGLIPLIRSA-N 1 1 361.442 3.443 20 5 FGBDMO Cc1cccc([C@@H]2CC[N@@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)c1 ZINC000542321791 504450622 /nfs/dbraw/zinc/45/06/22/504450622.db2.gz PEGSTTQHYUDYOE-GOSISDBHSA-N 1 1 365.433 3.282 20 5 FGBDMO CCOc1ccc(C[NH+]2CCN(c3cc(OC)ccc3[N+](=O)[O-])CC2)cc1 ZINC000520307336 504461347 /nfs/dbraw/zinc/46/13/47/504461347.db2.gz RVTHENSPCBQANP-UHFFFAOYSA-N 1 1 371.437 3.324 20 5 FGBDMO O=[N+]([O-])c1cc(I)cc(C[NH+]2C[C@@H]3CCC[C@H]3C2)c1 ZINC000520461639 504505146 /nfs/dbraw/zinc/50/51/46/504505146.db2.gz OECZVWJODPDIOS-RYUDHWBXSA-N 1 1 372.206 3.431 20 5 FGBDMO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000539248786 504511758 /nfs/dbraw/zinc/51/17/58/504511758.db2.gz ZYHJKXNRYYXARO-SNVBAGLBSA-N 1 1 365.336 3.146 20 5 FGBDMO O=[N+]([O-])c1ccc(OCC[NH2+][C@H](c2ccc(F)cc2)c2cnccn2)cc1 ZINC000542494416 504512726 /nfs/dbraw/zinc/51/27/26/504512726.db2.gz JFLJXTZXZQVPSY-LJQANCHMSA-N 1 1 368.368 3.282 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000532184085 504566013 /nfs/dbraw/zinc/56/60/13/504566013.db2.gz SLMONNRWQWJJJG-HNNXBMFYSA-N 1 1 362.474 3.050 20 5 FGBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000545854756 504616691 /nfs/dbraw/zinc/61/66/91/504616691.db2.gz TUUVPFVBEFYZAV-CQSZACIVSA-N 1 1 365.449 3.392 20 5 FGBDMO Cc1oc2nc(C[N@H+](C)CCc3cccc([N+](=O)[O-])c3)nc(N)c2c1C ZINC000548935758 504628277 /nfs/dbraw/zinc/62/82/77/504628277.db2.gz WMOIWTGMIPUURI-UHFFFAOYSA-N 1 1 355.398 3.005 20 5 FGBDMO Cc1oc2nc(C[N@@H+](C)CCc3cccc([N+](=O)[O-])c3)nc(N)c2c1C ZINC000548935758 504628281 /nfs/dbraw/zinc/62/82/81/504628281.db2.gz WMOIWTGMIPUURI-UHFFFAOYSA-N 1 1 355.398 3.005 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000549171180 504711037 /nfs/dbraw/zinc/71/10/37/504711037.db2.gz NOBYGSLCBNAVSQ-BCDXTJNWSA-N 1 1 353.422 3.167 20 5 FGBDMO COC(=O)C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000539838550 504712330 /nfs/dbraw/zinc/71/23/30/504712330.db2.gz WNSMTVMFTZFPHM-CYBMUJFWSA-N 1 1 374.393 3.391 20 5 FGBDMO Cc1ccc(OC[C@H](O)C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000549173629 504712735 /nfs/dbraw/zinc/71/27/35/504712735.db2.gz TYXQGBOLEICGIL-LJQANCHMSA-N 1 1 358.438 3.126 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@H]2c2ccccn2)cccc1[N+](=O)[O-] ZINC000532650639 504724670 /nfs/dbraw/zinc/72/46/70/504724670.db2.gz LVGPXYNDQDXHKK-SFHVURJKSA-N 1 1 354.410 3.464 20 5 FGBDMO Cc1cccc(C2=CC[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000540046222 504765258 /nfs/dbraw/zinc/76/52/58/504765258.db2.gz XTXMAMZTYMBIMK-HXUWFJFHSA-N 1 1 368.433 3.432 20 5 FGBDMO C[C@@H]1[C@H](C)N(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000536623161 504770929 /nfs/dbraw/zinc/77/09/29/504770929.db2.gz DAGWNSGJKLBQRA-CABCVRRESA-N 1 1 353.422 3.355 20 5 FGBDMO C[C@@H]1[C@H](C)N(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000536623161 504770930 /nfs/dbraw/zinc/77/09/30/504770930.db2.gz DAGWNSGJKLBQRA-CABCVRRESA-N 1 1 353.422 3.355 20 5 FGBDMO Cn1cc(C[C@@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)cn1 ZINC000559107038 504783151 /nfs/dbraw/zinc/78/31/51/504783151.db2.gz VHYCKGHZQULFFJ-LBPRGKRZSA-N 1 1 368.359 3.412 20 5 FGBDMO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000562392808 504804962 /nfs/dbraw/zinc/80/49/62/504804962.db2.gz IFBWOXJYDLAWRR-YJBOKZPZSA-N 1 1 353.422 3.089 20 5 FGBDMO CC[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc21)[N@@H+](C)Cc1ccccc1 ZINC000549750165 504888427 /nfs/dbraw/zinc/88/84/27/504888427.db2.gz RFHFIYRUKDSSRP-SFHVURJKSA-N 1 1 353.422 3.395 20 5 FGBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000565612745 504937365 /nfs/dbraw/zinc/93/73/65/504937365.db2.gz PAFCPEKTSOWBRY-MRXNPFEDSA-N 1 1 359.470 3.063 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000566173839 505104440 /nfs/dbraw/zinc/10/44/40/505104440.db2.gz QLPXLFVYXJBBFK-QAPCUYQASA-N 1 1 361.442 3.123 20 5 FGBDMO C[C@@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)[N@H+]1CCCC[C@H]1C ZINC000560514254 505110569 /nfs/dbraw/zinc/11/05/69/505110569.db2.gz IVLAOFAQLQXUDY-GJYPPUQNSA-N 1 1 371.485 3.270 20 5 FGBDMO O=[N+]([O-])c1cccc(F)c1NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000557425984 505131704 /nfs/dbraw/zinc/13/17/04/505131704.db2.gz RYECZNJBKMSHBF-INIZCTEOSA-N 1 1 359.401 3.303 20 5 FGBDMO CC1(C)C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000554310836 505142319 /nfs/dbraw/zinc/14/23/19/505142319.db2.gz SOAYQINGRYFYLX-PBHICJAKSA-N 1 1 362.451 3.479 20 5 FGBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)[C@@H](C)C1 ZINC000557525124 505156404 /nfs/dbraw/zinc/15/64/04/505156404.db2.gz DBMUKHBCKBRCGM-ZDUSSCGKSA-N 1 1 351.472 3.262 20 5 FGBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)[C@@H](C)C1 ZINC000557525124 505156408 /nfs/dbraw/zinc/15/64/08/505156408.db2.gz DBMUKHBCKBRCGM-ZDUSSCGKSA-N 1 1 351.472 3.262 20 5 FGBDMO COC(=O)c1cc(C)nc(Nc2ccc3c(c2)[nH+]c(C)n3C)c1[N+](=O)[O-] ZINC000557629280 505187186 /nfs/dbraw/zinc/18/71/86/505187186.db2.gz JTCGXMWDFBYYHY-UHFFFAOYSA-N 1 1 355.354 3.024 20 5 FGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCn1cc(Br)cn1 ZINC000558219001 505337687 /nfs/dbraw/zinc/33/76/87/505337687.db2.gz WWAJDUSLMAXPHU-NSHDSACASA-N 1 1 353.220 3.247 20 5 FGBDMO CCOCCC1(C[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000552062809 505387176 /nfs/dbraw/zinc/38/71/76/505387176.db2.gz HDGFRYXIYIGQTC-KRWDZBQOSA-N 1 1 358.442 3.214 20 5 FGBDMO CCOC(=O)[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000555380304 505421837 /nfs/dbraw/zinc/42/18/37/505421837.db2.gz RLZUYQBHPSNFMB-NSHDSACASA-N 1 1 360.332 3.389 20 5 FGBDMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000555380304 505421840 /nfs/dbraw/zinc/42/18/40/505421840.db2.gz RLZUYQBHPSNFMB-NSHDSACASA-N 1 1 360.332 3.389 20 5 FGBDMO Cc1cc(NC[C@@H](C)[N@H+]2CCCC[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000567301531 505422549 /nfs/dbraw/zinc/42/25/49/505422549.db2.gz VLWPERZQBLOOES-HZPDHXFCSA-N 1 1 369.469 3.457 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000561762125 505430278 /nfs/dbraw/zinc/43/02/78/505430278.db2.gz PYXLFNQKFXTYAJ-IIYDPXPESA-N 1 1 359.470 3.322 20 5 FGBDMO CCO[C@H]1C[C@@H]1[NH2+]Cc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000567332809 505432683 /nfs/dbraw/zinc/43/26/83/505432683.db2.gz KIRGQODOXOAXKK-WMZOPIPTSA-N 1 1 372.421 3.449 20 5 FGBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000558616277 505440403 /nfs/dbraw/zinc/44/04/03/505440403.db2.gz PZDIOCDGTQQPDC-NSHDSACASA-N 1 1 359.373 3.046 20 5 FGBDMO CO[C@]1(C)C[C@H]([NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000552248502 505440790 /nfs/dbraw/zinc/44/07/90/505440790.db2.gz JLWDAGVLMFSPBI-FRQCXROJSA-N 1 1 358.442 3.211 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)c([N+](=O)[O-])cc1OC ZINC000564986260 505565588 /nfs/dbraw/zinc/56/55/88/505565588.db2.gz PPTCLGJXWUYPJB-DZGCQCFKSA-N 1 1 350.415 3.003 20 5 FGBDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000596466716 506421539 /nfs/dbraw/zinc/42/15/39/506421539.db2.gz HPXDRURWGYCBCO-OAHLLOKOSA-N 1 1 371.466 3.057 20 5 FGBDMO CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@@H](CC(N)=O)C2)cc1[N+](=O)[O-] ZINC000589209418 506484563 /nfs/dbraw/zinc/48/45/63/506484563.db2.gz MIONGFJVIZGVKG-INIZCTEOSA-N 1 1 368.437 3.060 20 5 FGBDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)c3cc[nH]c(=O)c3[N+](=O)[O-])C2)s1 ZINC000603400096 506503194 /nfs/dbraw/zinc/50/31/94/506503194.db2.gz JQTXVVXLXDBERA-CYBMUJFWSA-N 1 1 362.455 3.024 20 5 FGBDMO CC1(C)[C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@H]1[NH+]1CCOCC1 ZINC000603401150 506503213 /nfs/dbraw/zinc/50/32/13/506503213.db2.gz ZTQYOCFSCDLEEB-HUUCEWRRSA-N 1 1 371.384 3.107 20 5 FGBDMO C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@@H]1C(=O)OC(C)(C)C ZINC000599586114 506512557 /nfs/dbraw/zinc/51/25/57/506512557.db2.gz GNEQMAWFLHKGJW-CABCVRRESA-N 1 1 364.442 3.273 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599585476 506513048 /nfs/dbraw/zinc/51/30/48/506513048.db2.gz ZLMRTYDYKIDONQ-CJNGLKHVSA-N 1 1 364.442 3.403 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599585476 506513055 /nfs/dbraw/zinc/51/30/55/506513055.db2.gz ZLMRTYDYKIDONQ-CJNGLKHVSA-N 1 1 364.442 3.403 20 5 FGBDMO COc1ccc(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000599585539 506513108 /nfs/dbraw/zinc/51/31/08/506513108.db2.gz FMCYJVVFCZRKPH-DZGCQCFKSA-N 1 1 364.442 3.403 20 5 FGBDMO COc1ccc(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000599585539 506513115 /nfs/dbraw/zinc/51/31/15/506513115.db2.gz FMCYJVVFCZRKPH-DZGCQCFKSA-N 1 1 364.442 3.403 20 5 FGBDMO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c(OC)c1 ZINC000599601618 506524618 /nfs/dbraw/zinc/52/46/18/506524618.db2.gz WUSDTCXYTHBIQG-ZDUSSCGKSA-N 1 1 373.409 3.210 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000596678926 506529302 /nfs/dbraw/zinc/52/93/02/506529302.db2.gz GJCKIMIGOJHVBQ-OAHLLOKOSA-N 1 1 360.458 3.142 20 5 FGBDMO CCC(O)(CC)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599673634 506570924 /nfs/dbraw/zinc/57/09/24/506570924.db2.gz RVZFNZGOJDOAAT-NSHDSACASA-N 1 1 357.838 3.058 20 5 FGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000603911118 506657080 /nfs/dbraw/zinc/65/70/80/506657080.db2.gz YBJHWITWVRAFHI-MRXNPFEDSA-N 1 1 368.437 3.134 20 5 FGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCCN(c2ccccc2)CC1 ZINC000603911118 506657083 /nfs/dbraw/zinc/65/70/83/506657083.db2.gz YBJHWITWVRAFHI-MRXNPFEDSA-N 1 1 368.437 3.134 20 5 FGBDMO C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)[N@H+]1CCC[C@H](C)C1 ZINC000599830479 506663253 /nfs/dbraw/zinc/66/32/53/506663253.db2.gz JENACXIVRIUSLI-KBPBESRZSA-N 1 1 371.441 3.385 20 5 FGBDMO Cc1cccc2[nH]c(C[N@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)cc21 ZINC000597012734 506731353 /nfs/dbraw/zinc/73/13/53/506731353.db2.gz BBYBUAFSEBHHNT-AWEZNQCLSA-N 1 1 351.410 3.466 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597091250 506768931 /nfs/dbraw/zinc/76/89/31/506768931.db2.gz ZQUXCYDFEUFVBQ-JTQLQIEISA-N 1 1 369.853 3.072 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@@H](Cn3ccnn3)C2)s1 ZINC000597173059 506813239 /nfs/dbraw/zinc/81/32/39/506813239.db2.gz DCICIQXCNKJNLU-CQSZACIVSA-N 1 1 369.450 3.437 20 5 FGBDMO CC(C)(c1nc([C@@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000583531998 506829150 /nfs/dbraw/zinc/82/91/50/506829150.db2.gz GXZKJQGQMGDTAP-KXBFYZLASA-N 1 1 372.425 3.230 20 5 FGBDMO CC(C)(c1nc([C@@H]2C[N@H+]3CCC[C@@]3(C)CO2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000583531998 506829165 /nfs/dbraw/zinc/82/91/65/506829165.db2.gz GXZKJQGQMGDTAP-KXBFYZLASA-N 1 1 372.425 3.230 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3C[C@@H]4CCC[C@]4(CO)C3)cs2)c1 ZINC000600206685 506846329 /nfs/dbraw/zinc/84/63/29/506846329.db2.gz HDTYPJMUNHVYIZ-KBXCAEBGSA-N 1 1 359.451 3.313 20 5 FGBDMO C[C@H](O)[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1 ZINC000597248564 506860346 /nfs/dbraw/zinc/86/03/46/506860346.db2.gz BMDZMELGQFKJPT-ZBEGNZNMSA-N 1 1 352.337 3.408 20 5 FGBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000609673492 506969836 /nfs/dbraw/zinc/96/98/36/506969836.db2.gz BHMOALNOLUBOIO-LJQANCHMSA-N 1 1 353.422 3.265 20 5 FGBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000609874570 507033643 /nfs/dbraw/zinc/03/36/43/507033643.db2.gz MRRQBACZIQLMPI-LBPRGKRZSA-N 1 1 353.850 3.489 20 5 FGBDMO CCOC(=O)c1ccnc(NCC(C)(C)[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000609963061 507055707 /nfs/dbraw/zinc/05/57/07/507055707.db2.gz LOCNCLKDMXZYDW-ZDUSSCGKSA-N 1 1 364.446 3.089 20 5 FGBDMO C[C@H]1c2c(F)cccc2CC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000610004195 507069790 /nfs/dbraw/zinc/06/97/90/507069790.db2.gz FICNZUGLDNABAY-BBRMVZONSA-N 1 1 360.385 3.093 20 5 FGBDMO C[C@H]1c2c(F)cccc2CC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000610004195 507069792 /nfs/dbraw/zinc/06/97/92/507069792.db2.gz FICNZUGLDNABAY-BBRMVZONSA-N 1 1 360.385 3.093 20 5 FGBDMO C[C@H](C1CC1)N(C)c1ccc([N+](=O)[O-])c(NC(=O)C[N@@H+](C)[C@@H](C)C2CC2)c1 ZINC000591010685 507076080 /nfs/dbraw/zinc/07/60/80/507076080.db2.gz NPPKXNAHMKWDPL-UONOGXRCSA-N 1 1 374.485 3.498 20 5 FGBDMO C[C@H](C1CC1)N(C)c1ccc([N+](=O)[O-])c(NC(=O)C[N@@H+](C)[C@H](C)C2CC2)c1 ZINC000591010686 507076647 /nfs/dbraw/zinc/07/66/47/507076647.db2.gz NPPKXNAHMKWDPL-ZIAGYGMSSA-N 1 1 374.485 3.498 20 5 FGBDMO CC(C)Oc1cc(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000591071270 507101606 /nfs/dbraw/zinc/10/16/06/507101606.db2.gz CFAIFNBOYOKCMV-KRWDZBQOSA-N 1 1 369.421 3.299 20 5 FGBDMO CC(C)Oc1cc(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000591071270 507101612 /nfs/dbraw/zinc/10/16/12/507101612.db2.gz CFAIFNBOYOKCMV-KRWDZBQOSA-N 1 1 369.421 3.299 20 5 FGBDMO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000591079649 507104411 /nfs/dbraw/zinc/10/44/11/507104411.db2.gz YLXULDSGWZOPHD-UHFFFAOYSA-N 1 1 356.426 3.024 20 5 FGBDMO C[C@H](Cc1ccccn1)[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000594513192 507162740 /nfs/dbraw/zinc/16/27/40/507162740.db2.gz BYWOIGDCWSRCFN-KDOFPFPSSA-N 1 1 351.410 3.034 20 5 FGBDMO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000600996260 507220726 /nfs/dbraw/zinc/22/07/26/507220726.db2.gz ZVKFZJXOBKAVON-HNNXBMFYSA-N 1 1 357.385 3.128 20 5 FGBDMO CCN(C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])[C@@H]1CC[N@@H+](CC)C1 ZINC000598040229 507229105 /nfs/dbraw/zinc/22/91/05/507229105.db2.gz NULBLCJYGXAPGY-MRXNPFEDSA-N 1 1 368.437 3.213 20 5 FGBDMO COc1ccc(CN2CC[C@H]([NH2+][C@H](C)c3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000610420525 507233330 /nfs/dbraw/zinc/23/33/30/507233330.db2.gz HXXQWEUUKGDXTC-KDOFPFPSSA-N 1 1 369.421 3.055 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000610433541 507237890 /nfs/dbraw/zinc/23/78/90/507237890.db2.gz QXLLERVVZSCDNM-LJQANCHMSA-N 1 1 355.438 3.180 20 5 FGBDMO CN(Cc1ccccc1)[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000610433541 507237897 /nfs/dbraw/zinc/23/78/97/507237897.db2.gz QXLLERVVZSCDNM-LJQANCHMSA-N 1 1 355.438 3.180 20 5 FGBDMO CN(Cc1ccccc1)[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000610433541 507237903 /nfs/dbraw/zinc/23/79/03/507237903.db2.gz QXLLERVVZSCDNM-LJQANCHMSA-N 1 1 355.438 3.180 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@@H]3CCOC4(CCSCC4)C3)c2c1 ZINC000601131772 507272912 /nfs/dbraw/zinc/27/29/12/507272912.db2.gz QJHNWBXBYLXRLB-CYBMUJFWSA-N 1 1 359.451 3.422 20 5 FGBDMO C[C@H](C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000598218562 507323064 /nfs/dbraw/zinc/32/30/64/507323064.db2.gz IDEFHNNPVFJLAC-UONOGXRCSA-N 1 1 363.433 3.361 20 5 FGBDMO CC(C)(C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000598219461 507323274 /nfs/dbraw/zinc/32/32/74/507323274.db2.gz MCDGDAFRUOGPBX-MRXNPFEDSA-N 1 1 359.470 3.396 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@@H](Nc3ccsc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000610677974 507345171 /nfs/dbraw/zinc/34/51/71/507345171.db2.gz YICHFCQLBXSMKJ-CYBMUJFWSA-N 1 1 363.439 3.360 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@H](Nc3ccsc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000610677974 507345175 /nfs/dbraw/zinc/34/51/75/507345175.db2.gz YICHFCQLBXSMKJ-CYBMUJFWSA-N 1 1 363.439 3.360 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCN(C2CCCCC2)C1=O ZINC000595021809 507358536 /nfs/dbraw/zinc/35/85/36/507358536.db2.gz GDQPECLUGISZCS-GUYCJALGSA-N 1 1 361.442 3.188 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)C(=O)NCCc1ccccc1 ZINC000595050746 507368263 /nfs/dbraw/zinc/36/82/63/507368263.db2.gz KDQCNFPJHBSKMK-LSDHHAIUSA-N 1 1 371.437 3.001 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000595052657 507369107 /nfs/dbraw/zinc/36/91/07/507369107.db2.gz ZTIPHFIIWDIDTM-JTQLQIEISA-N 1 1 353.325 3.451 20 5 FGBDMO CCc1ccc([C@H]([NH2+]C[C@@H](OC)[C@H]2CCOC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000595060630 507372661 /nfs/dbraw/zinc/37/26/61/507372661.db2.gz NAJHLDSIGRNTQH-CWFSZBLJSA-N 1 1 374.437 3.481 20 5 FGBDMO C[C@@H](c1ccncc1)[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000614185382 507398556 /nfs/dbraw/zinc/39/85/56/507398556.db2.gz HPLHCIPWPBSWFF-AWEZNQCLSA-N 1 1 366.425 3.139 20 5 FGBDMO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000595342664 507466387 /nfs/dbraw/zinc/46/63/87/507466387.db2.gz GAAAAKUDIYSCTJ-KRWDZBQOSA-N 1 1 352.406 3.284 20 5 FGBDMO O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000598509786 507466467 /nfs/dbraw/zinc/46/64/67/507466467.db2.gz MMMBVOBBKRMRCT-OAHLLOKOSA-N 1 1 364.405 3.080 20 5 FGBDMO C[C@H](C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000598508780 507467008 /nfs/dbraw/zinc/46/70/08/507467008.db2.gz HXJDQVQTEYUIPQ-WMLDXEAASA-N 1 1 371.412 3.228 20 5 FGBDMO COCC[N@H+]1CCC[C@H](NC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000592094049 507481620 /nfs/dbraw/zinc/48/16/20/507481620.db2.gz FUGXAYCDFYFVEU-KRWDZBQOSA-N 1 1 363.461 3.229 20 5 FGBDMO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000598557988 507484831 /nfs/dbraw/zinc/48/48/31/507484831.db2.gz BBGDVLFQCIUXJD-QGZVFWFLSA-N 1 1 374.485 3.025 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[N@H+](CCc1cncs1)[C@H]1CC[C@H](O)CC1 ZINC000592133007 507497681 /nfs/dbraw/zinc/49/76/81/507497681.db2.gz QZWXCSVFZWDPNC-WKILWMFISA-N 1 1 361.467 3.400 20 5 FGBDMO O=C(NCc1ccccc1)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000592153443 507510984 /nfs/dbraw/zinc/51/09/84/507510984.db2.gz ATLMMZXCEXGSAA-MRXNPFEDSA-N 1 1 373.840 3.387 20 5 FGBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cc(F)ccc3OC(F)F)CC2)n1 ZINC000595483562 507524127 /nfs/dbraw/zinc/52/41/27/507524127.db2.gz WGWJIDQSHLYJRZ-UHFFFAOYSA-N 1 1 370.331 3.369 20 5 FGBDMO O=C1N[C@@H]2CCCC[C@@H]2C[C@H]1[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000595524335 507543642 /nfs/dbraw/zinc/54/36/42/507543642.db2.gz LXMLYUSWIJUSGN-UKBAYJJMSA-N 1 1 357.454 3.222 20 5 FGBDMO CC[N@H+]1CCCN(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000595536583 507548811 /nfs/dbraw/zinc/54/88/11/507548811.db2.gz ZWLCXNLDHLGWAW-LBPRGKRZSA-N 1 1 373.400 3.121 20 5 FGBDMO COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611269011 507594583 /nfs/dbraw/zinc/59/45/83/507594583.db2.gz XRNUUTGFBDAGBZ-CQSZACIVSA-N 1 1 372.421 3.438 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000595702381 507637734 /nfs/dbraw/zinc/63/77/34/507637734.db2.gz JAUHJQKNHOAPSR-DLBZAZTESA-N 1 1 374.485 3.357 20 5 FGBDMO CCNc1ccc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000598887920 507664367 /nfs/dbraw/zinc/66/43/67/507664367.db2.gz DBQYSVOFGRITRS-QGZVFWFLSA-N 1 1 368.437 3.031 20 5 FGBDMO CCNc1ccc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000598887920 507664371 /nfs/dbraw/zinc/66/43/71/507664371.db2.gz DBQYSVOFGRITRS-QGZVFWFLSA-N 1 1 368.437 3.031 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595786510 507684048 /nfs/dbraw/zinc/68/40/48/507684048.db2.gz ATEHEFMFXNGPDD-RVKKMQEKSA-N 1 1 361.442 3.203 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](N(C)c2ccccc2)C1 ZINC000595826380 507703963 /nfs/dbraw/zinc/70/39/63/507703963.db2.gz OFFDXQHBHIHRBG-GOSISDBHSA-N 1 1 368.437 3.052 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](N(C)c2ccccc2)C1 ZINC000595826380 507703964 /nfs/dbraw/zinc/70/39/64/507703964.db2.gz OFFDXQHBHIHRBG-GOSISDBHSA-N 1 1 368.437 3.052 20 5 FGBDMO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@H](c3ccco3)N3CCCC3)nc2c1 ZINC000602505970 507730576 /nfs/dbraw/zinc/73/05/76/507730576.db2.gz QYQJZUDIMDZXAR-OAHLLOKOSA-N 1 1 356.382 3.256 20 5 FGBDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588019637 507736365 /nfs/dbraw/zinc/73/63/65/507736365.db2.gz JNHIMZRAIGRPCI-IBGZPJMESA-N 1 1 372.469 3.238 20 5 FGBDMO CCC[N@H+]1CC[C@@H](CNCc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602526510 507737869 /nfs/dbraw/zinc/73/78/69/507737869.db2.gz KXWLDGNHJZISRD-JTQLQIEISA-N 1 1 362.293 3.240 20 5 FGBDMO C[C@@](CO)([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)c1ccccc1 ZINC000602546378 507744248 /nfs/dbraw/zinc/74/42/48/507744248.db2.gz LVCIGEJYLONKRF-AWEZNQCLSA-N 1 1 371.256 3.416 20 5 FGBDMO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc(-n2cncn2)cc1 ZINC000181890345 568127935 /nfs/dbraw/zinc/12/79/35/568127935.db2.gz BDIZGQCLKJAAAX-LBPRGKRZSA-N 1 1 364.365 3.168 20 5 FGBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821222747 606158119 /nfs/dbraw/zinc/15/81/19/606158119.db2.gz YFZGRZZFHZFBMG-LBPRGKRZSA-N 1 1 370.388 3.497 20 5 FGBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821222747 606158121 /nfs/dbraw/zinc/15/81/21/606158121.db2.gz YFZGRZZFHZFBMG-LBPRGKRZSA-N 1 1 370.388 3.497 20 5 FGBDMO C[N@@H+]1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC000007500933 695570245 /nfs/dbraw/zinc/57/02/45/695570245.db2.gz PSOVRBPQZHOVSR-KRWDZBQOSA-N 1 1 356.451 3.280 20 5 FGBDMO C[N@H+]1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC000007500933 695570246 /nfs/dbraw/zinc/57/02/46/695570246.db2.gz PSOVRBPQZHOVSR-KRWDZBQOSA-N 1 1 356.451 3.280 20 5 FGBDMO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H](O)COCc1ccccc1 ZINC000122611774 700692794 /nfs/dbraw/zinc/69/27/94/700692794.db2.gz ORZUOTQKMUJQHY-MRXNPFEDSA-N 1 1 364.829 3.258 20 5 FGBDMO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CCc1cccs1 ZINC000128737683 700778963 /nfs/dbraw/zinc/77/89/63/700778963.db2.gz DOQDYCZKBMGNNX-UHFFFAOYSA-N 1 1 351.403 3.299 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCS[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000176826106 705593080 /nfs/dbraw/zinc/59/30/80/705593080.db2.gz DVCJBEKVZCCGFK-JKSUJKDBSA-N 1 1 359.455 3.171 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CCS[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000176826106 705593082 /nfs/dbraw/zinc/59/30/82/705593082.db2.gz DVCJBEKVZCCGFK-JKSUJKDBSA-N 1 1 359.455 3.171 20 5 FGBDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000195240538 713550270 /nfs/dbraw/zinc/55/02/70/713550270.db2.gz WMYWUYLEWNHZQA-KBPBESRZSA-N 1 1 351.422 3.251 20 5 FGBDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000195240538 713550273 /nfs/dbraw/zinc/55/02/73/713550273.db2.gz WMYWUYLEWNHZQA-KBPBESRZSA-N 1 1 351.422 3.251 20 5 FGBDMO C[C@H]1C[C@]1([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000503435481 714113489 /nfs/dbraw/zinc/11/34/89/714113489.db2.gz MLCLBDVUFQLQGM-BBATYDOGSA-N 1 1 359.813 3.372 20 5 FGBDMO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCCC[C@@H]1C ZINC000522743254 714203972 /nfs/dbraw/zinc/20/39/72/714203972.db2.gz LCUVAPZRAMKCCW-QWHCGFSZSA-N 1 1 353.850 3.170 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000524880613 714307836 /nfs/dbraw/zinc/30/78/36/714307836.db2.gz COLWAEQECJUWCY-HIFRSBDPSA-N 1 1 351.472 3.018 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000524890253 714308372 /nfs/dbraw/zinc/30/83/72/714308372.db2.gz XQIUQOWNJZOCRO-YCPHGPKFSA-N 1 1 365.499 3.407 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000525396418 714350359 /nfs/dbraw/zinc/35/03/59/714350359.db2.gz VAANHBMYYKYMFV-TZMCWYRMSA-N 1 1 353.850 3.122 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)CCCC[NH+]1CCOCC1 ZINC000803513983 724454253 /nfs/dbraw/zinc/45/42/53/724454253.db2.gz YNYZWNFODVUUQL-HNNXBMFYSA-N 1 1 350.415 3.010 20 5 FGBDMO COc1cc(F)c([N+](=O)[O-])c(N(C)CCC[N@@H+](C)Cc2ccco2)c1 ZINC000804840198 724555632 /nfs/dbraw/zinc/55/56/32/724555632.db2.gz BNUITARMVKMEMF-UHFFFAOYSA-N 1 1 351.378 3.294 20 5 FGBDMO COc1nc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)ccc1[N+](=O)[O-] ZINC001164624380 719065245 /nfs/dbraw/zinc/06/52/45/719065245.db2.gz LLVCDUONLIOHCP-WMZOPIPTSA-N 1 1 368.437 3.099 20 5 FGBDMO Cc1c(C)c(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)ncc1[N+](=O)[O-] ZINC001164648969 719311762 /nfs/dbraw/zinc/31/17/62/719311762.db2.gz NGMLPRRNAJDQOE-UHFFFAOYSA-N 1 1 372.473 3.008 20 5 FGBDMO Cc1ccc([C@H](O)C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)o1 ZINC000741260205 722544012 /nfs/dbraw/zinc/54/40/12/722544012.db2.gz FUMALVDBTRYDNV-OAHLLOKOSA-N 1 1 359.407 3.443 20 5 FGBDMO CCc1ccc([C@H]([NH2+]CC[S@@](=O)CC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000753665747 722908650 /nfs/dbraw/zinc/90/86/50/722908650.db2.gz UEXZETZEPHPTGB-OSPHWJPCSA-N 1 1 350.440 3.198 20 5 FGBDMO CC(C)c1[nH+]ccn1CCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790591581 723156396 /nfs/dbraw/zinc/15/63/96/723156396.db2.gz WMZWVJVNGXXVOC-UHFFFAOYSA-N 1 1 368.796 3.066 20 5 FGBDMO O=[N+]([O-])c1ccc2nc(N[C@H]3CCCC[C@H]3[NH+]3CCOCC3)sc2c1 ZINC000763377350 723338351 /nfs/dbraw/zinc/33/83/51/723338351.db2.gz WHRAPLHXDLOSTK-DZGCQCFKSA-N 1 1 362.455 3.260 20 5 FGBDMO COc1ccc(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1Cl ZINC000765280914 723501683 /nfs/dbraw/zinc/50/16/83/723501683.db2.gz LHDIUMVYAYKTEZ-UHFFFAOYSA-N 1 1 364.785 3.318 20 5 FGBDMO CCS[C@H]1CC[C@H]([N@H+](C)Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794636944 723537380 /nfs/dbraw/zinc/53/73/80/723537380.db2.gz MMWISEBYKXLAMI-RYUDHWBXSA-N 1 1 351.428 3.066 20 5 FGBDMO CCS[C@H]1CC[C@H]([N@@H+](C)Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794636944 723537383 /nfs/dbraw/zinc/53/73/83/723537383.db2.gz MMWISEBYKXLAMI-RYUDHWBXSA-N 1 1 351.428 3.066 20 5 FGBDMO COc1cc(COC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000766205343 723561048 /nfs/dbraw/zinc/56/10/48/723561048.db2.gz DJOMNKHDNVKREB-TUAOUCFPSA-N 1 1 354.378 3.047 20 5 FGBDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)CC[C@H]21 ZINC000795130335 723566076 /nfs/dbraw/zinc/56/60/76/723566076.db2.gz KVFLNWCDVLAXFV-ZIAGYGMSSA-N 1 1 367.471 3.488 20 5 FGBDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)CC[C@H]21 ZINC000795130335 723566077 /nfs/dbraw/zinc/56/60/77/723566077.db2.gz KVFLNWCDVLAXFV-ZIAGYGMSSA-N 1 1 367.471 3.488 20 5 FGBDMO CSC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000795598294 723601340 /nfs/dbraw/zinc/60/13/40/723601340.db2.gz HGXGMWVKMVWTQX-LLVKDONJSA-N 1 1 357.863 3.262 20 5 FGBDMO CSC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000795598294 723601342 /nfs/dbraw/zinc/60/13/42/723601342.db2.gz HGXGMWVKMVWTQX-LLVKDONJSA-N 1 1 357.863 3.262 20 5 FGBDMO CCC1(CC)C[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CCS1 ZINC000767477950 723620661 /nfs/dbraw/zinc/62/06/61/723620661.db2.gz CXYDDGUYRBHYNT-UHFFFAOYSA-N 1 1 361.471 3.418 20 5 FGBDMO CCC1(CC)C[N@@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CCS1 ZINC000767477950 723620662 /nfs/dbraw/zinc/62/06/62/723620662.db2.gz CXYDDGUYRBHYNT-UHFFFAOYSA-N 1 1 361.471 3.418 20 5 FGBDMO Cc1noc(C)c1C(C)(C)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000796665363 723649421 /nfs/dbraw/zinc/64/94/21/723649421.db2.gz GZMLHVXRUNYJOV-UHFFFAOYSA-N 1 1 366.805 3.316 20 5 FGBDMO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)c2ccsc2)ccc1Br 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CC(C)n1cncc1C[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000883288217 737547395 /nfs/dbraw/zinc/54/73/95/737547395.db2.gz WEHDANYJQSOXIK-UHFFFAOYSA-N 1 1 353.220 3.425 20 5 FGBDMO Cc1cc(Cl)c(C(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000854892147 731872091 /nfs/dbraw/zinc/87/20/91/731872091.db2.gz VBPPYBVEYSLRQT-MRXNPFEDSA-N 1 1 359.813 3.343 20 5 FGBDMO Cn1cc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)c(Br)n1 ZINC000858148575 732186195 /nfs/dbraw/zinc/18/61/95/732186195.db2.gz CFNVPMWPEXFPNU-UHFFFAOYSA-N 1 1 353.220 3.116 20 5 FGBDMO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H]2CCC[C@H]21 ZINC000859950151 732420932 /nfs/dbraw/zinc/42/09/32/732420932.db2.gz ACNMVNVSRNLVJL-LZWOXQAQSA-N 1 1 352.818 3.412 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H]2CCC[C@H]21 ZINC000859950151 732420935 /nfs/dbraw/zinc/42/09/35/732420935.db2.gz ACNMVNVSRNLVJL-LZWOXQAQSA-N 1 1 352.818 3.412 20 5 FGBDMO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)c1cccc([N+](=O)[O-])c1Cl ZINC000862203969 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ZINC000069078662 493917373 /nfs/dbraw/zinc/91/73/73/493917373.db2.gz KPUKMIDDFXOCQC-SFHVURJKSA-N 1 1 374.485 3.182 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1CN1CCCCC1 ZINC000069078662 493917377 /nfs/dbraw/zinc/91/73/77/493917377.db2.gz KPUKMIDDFXOCQC-SFHVURJKSA-N 1 1 374.485 3.182 20 5 FGBDMO Cc1[nH+]ccn1CCCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050589581 493923289 /nfs/dbraw/zinc/92/32/89/493923289.db2.gz YCQVWRIMYGGUBR-UHFFFAOYSA-N 1 1 371.422 3.043 20 5 FGBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000081584520 493923721 /nfs/dbraw/zinc/92/37/21/493923721.db2.gz TURXOPFMBJBWTN-LJQANCHMSA-N 1 1 371.412 3.057 20 5 FGBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000081584520 493923723 /nfs/dbraw/zinc/92/37/23/493923723.db2.gz TURXOPFMBJBWTN-LJQANCHMSA-N 1 1 371.412 3.057 20 5 FGBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000050629130 493924810 /nfs/dbraw/zinc/92/48/10/493924810.db2.gz FWCVSRFELGWDIK-CYBMUJFWSA-N 1 1 374.466 3.180 20 5 FGBDMO Cc1noc(C)c1C[NH+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000050931512 493938560 /nfs/dbraw/zinc/93/85/60/493938560.db2.gz ILOUVXKRECDEGF-UHFFFAOYSA-N 1 1 367.409 3.070 20 5 FGBDMO O=C(NCCC[N@H+]1CCc2ccccc2C1)Nc1cccc([N+](=O)[O-])c1 ZINC000031662732 493954307 /nfs/dbraw/zinc/95/43/07/493954307.db2.gz RQQLYKNZZCWZEY-UHFFFAOYSA-N 1 1 354.410 3.165 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000061624257 493987584 /nfs/dbraw/zinc/98/75/84/493987584.db2.gz YUPHCXOCHMKBDZ-UHFFFAOYSA-N 1 1 366.377 3.028 20 5 FGBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@@H]1COc2ccccc2O1 ZINC000083128099 493998943 /nfs/dbraw/zinc/99/89/43/493998943.db2.gz MJQVRWWOPVCITR-CYBMUJFWSA-N 1 1 355.350 3.008 20 5 FGBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@@H]1COc2ccccc2O1 ZINC000083128099 493998946 /nfs/dbraw/zinc/99/89/46/493998946.db2.gz MJQVRWWOPVCITR-CYBMUJFWSA-N 1 1 355.350 3.008 20 5 FGBDMO O=C(CC[N@@H+]1CCc2c(F)ccc(F)c2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000084137045 494050775 /nfs/dbraw/zinc/05/07/75/494050775.db2.gz RKRQOKKOAKXBSM-UHFFFAOYSA-N 1 1 361.348 3.260 20 5 FGBDMO O=C(CC[N@H+]1CCc2c(F)ccc(F)c2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000084137045 494050777 /nfs/dbraw/zinc/05/07/77/494050777.db2.gz RKRQOKKOAKXBSM-UHFFFAOYSA-N 1 1 361.348 3.260 20 5 FGBDMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000052894906 494073216 /nfs/dbraw/zinc/07/32/16/494073216.db2.gz QJZVXHCKRHLSSY-HNNXBMFYSA-N 1 1 364.405 3.080 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)Cc1sccc1C ZINC000008309905 494082503 /nfs/dbraw/zinc/08/25/03/494082503.db2.gz ZWUIYWPKGBCARW-LBPRGKRZSA-N 1 1 363.439 3.432 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)Cc1sccc1C ZINC000008309905 494082508 /nfs/dbraw/zinc/08/25/08/494082508.db2.gz ZWUIYWPKGBCARW-LBPRGKRZSA-N 1 1 363.439 3.432 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccccc2[N+](=O)[O-])cc1F ZINC000072032867 494118210 /nfs/dbraw/zinc/11/82/10/494118210.db2.gz MUZJSBOXGVAHPH-UHFFFAOYSA-N 1 1 354.341 3.158 20 5 FGBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000087101316 494172061 /nfs/dbraw/zinc/17/20/61/494172061.db2.gz MRPQBQHCSOMVAA-IBGZPJMESA-N 1 1 367.449 3.308 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc(NC(=O)CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000087128013 494174553 /nfs/dbraw/zinc/17/45/53/494174553.db2.gz DXPCIRBDMNOKOS-UHFFFAOYSA-N 1 1 351.366 3.055 20 5 FGBDMO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1Cl ZINC000054056581 494190084 /nfs/dbraw/zinc/19/00/84/494190084.db2.gz CUMNTHKCIIBELF-MRXNPFEDSA-N 1 1 365.792 3.420 20 5 FGBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000072731647 494243420 /nfs/dbraw/zinc/24/34/20/494243420.db2.gz FHYJQNLFCMTMSJ-CYBMUJFWSA-N 1 1 366.849 3.444 20 5 FGBDMO COc1ccc(NC(=O)CC[N@@H+](C)CCc2cccs2)c([N+](=O)[O-])c1 ZINC000072800745 494252739 /nfs/dbraw/zinc/25/27/39/494252739.db2.gz YMSSBDMSQIMVDB-UHFFFAOYSA-N 1 1 363.439 3.168 20 5 FGBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000054625017 494254009 /nfs/dbraw/zinc/25/40/09/494254009.db2.gz BCWSHAFYURTRPV-LLVKDONJSA-N 1 1 358.423 3.381 20 5 FGBDMO O=C(NC1CCCCC1)C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000065964301 494262365 /nfs/dbraw/zinc/26/23/65/494262365.db2.gz YKRZYJGIWLFVLH-UHFFFAOYSA-N 1 1 351.472 3.317 20 5 FGBDMO C[C@H](NC(=O)NCC[N@@H+]1CCc2sccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000054684237 494262405 /nfs/dbraw/zinc/26/24/05/494262405.db2.gz CDEYWLHJIMFWRW-ZDUSSCGKSA-N 1 1 374.466 3.075 20 5 FGBDMO C[C@H](NC(=O)NCC[N@H+]1CCc2sccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000054684237 494262409 /nfs/dbraw/zinc/26/24/09/494262409.db2.gz CDEYWLHJIMFWRW-ZDUSSCGKSA-N 1 1 374.466 3.075 20 5 FGBDMO CC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)[N@H+]1CCc2ccccc2C1 ZINC000054773010 494269191 /nfs/dbraw/zinc/26/91/91/494269191.db2.gz KHKXXOLHIQJVIM-INIZCTEOSA-N 1 1 371.412 3.301 20 5 FGBDMO O=c1cc(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c2c(ccc3ccccc32)o1 ZINC000089154432 494271030 /nfs/dbraw/zinc/27/10/30/494271030.db2.gz WWGKYFUKECJCDD-AZUAARDMSA-N 1 1 365.429 3.326 20 5 FGBDMO O=c1cc(C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c2c(ccc3ccccc32)o1 ZINC000089154432 494271032 /nfs/dbraw/zinc/27/10/32/494271032.db2.gz WWGKYFUKECJCDD-AZUAARDMSA-N 1 1 365.429 3.326 20 5 FGBDMO Cc1ccccc1OCC[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000015099308 494339255 /nfs/dbraw/zinc/33/92/55/494339255.db2.gz YCNISPAKTLAXIX-UHFFFAOYSA-N 1 1 357.410 3.161 20 5 FGBDMO Cc1ccccc1OCC[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000015099308 494339261 /nfs/dbraw/zinc/33/92/61/494339261.db2.gz YCNISPAKTLAXIX-UHFFFAOYSA-N 1 1 357.410 3.161 20 5 FGBDMO Cc1cccc(OCC[N@@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])c1 ZINC000015100255 494339359 /nfs/dbraw/zinc/33/93/59/494339359.db2.gz GJLQEYMOLKKOQD-UHFFFAOYSA-N 1 1 357.410 3.161 20 5 FGBDMO Cc1cccc(OCC[N@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])c1 ZINC000015100255 494339364 /nfs/dbraw/zinc/33/93/64/494339364.db2.gz GJLQEYMOLKKOQD-UHFFFAOYSA-N 1 1 357.410 3.161 20 5 FGBDMO C[NH+](C)CCC1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000089886769 494393263 /nfs/dbraw/zinc/39/32/63/494393263.db2.gz HLIFYRHBAPKEET-UHFFFAOYSA-N 1 1 358.442 3.414 20 5 FGBDMO NC(=O)c1ccc(C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000055901159 494425018 /nfs/dbraw/zinc/42/50/18/494425018.db2.gz FHRVSHHGDTYLOI-UHFFFAOYSA-N 1 1 369.421 3.127 20 5 FGBDMO CC(C)Oc1ccccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000055902063 494425097 /nfs/dbraw/zinc/42/50/97/494425097.db2.gz HAQRJTJEWBSNFK-UHFFFAOYSA-N 1 1 356.426 3.099 20 5 FGBDMO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)CC[N@H+]1Cc1ccccc1 ZINC000079553109 494478853 /nfs/dbraw/zinc/47/88/53/494478853.db2.gz SAMSBTVLMAURLN-UKRRQHHQSA-N 1 1 359.451 3.439 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000079561183 494482823 /nfs/dbraw/zinc/48/28/23/494482823.db2.gz OOFROARYOSOGSI-LLVKDONJSA-N 1 1 359.348 3.218 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000067725637 494625293 /nfs/dbraw/zinc/62/52/93/494625293.db2.gz PUVXRAGAZYIVAU-IYBDPMFKSA-N 1 1 362.474 3.152 20 5 FGBDMO Cn1cc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000121172337 494630023 /nfs/dbraw/zinc/63/00/23/494630023.db2.gz BLGMSOBXVVTXSQ-HNNXBMFYSA-N 1 1 366.425 3.098 20 5 FGBDMO Cc1cc([N+](=O)[O-])cnc1NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000092622690 494690000 /nfs/dbraw/zinc/69/00/00/494690000.db2.gz RAVJJXNQNMBAPL-HNNXBMFYSA-N 1 1 356.426 3.131 20 5 FGBDMO Cc1cc([N+](=O)[O-])cnc1NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000092622690 494690003 /nfs/dbraw/zinc/69/00/03/494690003.db2.gz RAVJJXNQNMBAPL-HNNXBMFYSA-N 1 1 356.426 3.131 20 5 FGBDMO COc1ccc(-c2ccc(C[NH2+][C@H]3CCN(CC4CC4)C3)o2)c([N+](=O)[O-])c1 ZINC000108424293 494702960 /nfs/dbraw/zinc/70/29/60/494702960.db2.gz HKYZXLRNGZUMPU-HNNXBMFYSA-N 1 1 371.437 3.437 20 5 FGBDMO COC(=O)[C@H](C)C[N@@H+](C)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000091986214 494745099 /nfs/dbraw/zinc/74/50/99/494745099.db2.gz ZOUJVXDZLMWJKN-GFCCVEGCSA-N 1 1 362.382 3.104 20 5 FGBDMO C[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000025633210 494764352 /nfs/dbraw/zinc/76/43/52/494764352.db2.gz ZFORHLBQWYIPLB-ZDUSSCGKSA-N 1 1 373.840 3.425 20 5 FGBDMO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000092096500 494785368 /nfs/dbraw/zinc/78/53/68/494785368.db2.gz VSKLVVHNAOOROR-HNNXBMFYSA-N 1 1 363.801 3.219 20 5 FGBDMO CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000092096500 494785376 /nfs/dbraw/zinc/78/53/76/494785376.db2.gz VSKLVVHNAOOROR-HNNXBMFYSA-N 1 1 363.801 3.219 20 5 FGBDMO Cc1cccc(OCC[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000026337249 494818563 /nfs/dbraw/zinc/81/85/63/494818563.db2.gz FDAOLJCQISZMQN-UHFFFAOYSA-N 1 1 357.410 3.243 20 5 FGBDMO CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253389 494822105 /nfs/dbraw/zinc/82/21/05/494822105.db2.gz JSTHTKBHJPFFRB-AWEZNQCLSA-N 1 1 360.483 3.492 20 5 FGBDMO COc1cc(C[N@@H+](C)[C@H]2CCOC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000132181811 494834753 /nfs/dbraw/zinc/83/47/53/494834753.db2.gz BSZGFDSNNYIUAX-SFHVURJKSA-N 1 1 372.421 3.403 20 5 FGBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])o2)CC[N@H+]1Cc1ccccc1 ZINC000132307366 494855214 /nfs/dbraw/zinc/85/52/14/494855214.db2.gz LZOPYMORROMTAD-ZBFHGGJFSA-N 1 1 357.410 3.313 20 5 FGBDMO COC(=O)CC[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(C)C ZINC000093383875 494883625 /nfs/dbraw/zinc/88/36/25/494883625.db2.gz SBWVNRMXXFZLSH-UHFFFAOYSA-N 1 1 363.439 3.492 20 5 FGBDMO CCC[N@@H+](C)C[C@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000093741924 494915846 /nfs/dbraw/zinc/91/58/46/494915846.db2.gz IFEVTBPBRKRROD-MRXNPFEDSA-N 1 1 371.485 3.159 20 5 FGBDMO CCC[N@@H+](C)C[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000093753186 494917249 /nfs/dbraw/zinc/91/72/49/494917249.db2.gz CVVNHVWVGKXXNN-CYBMUJFWSA-N 1 1 357.401 3.360 20 5 FGBDMO COc1cc(C[N@@H+](CCO)C2CCCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000110035964 494942413 /nfs/dbraw/zinc/94/24/13/494942413.db2.gz YNWUXHQRXPPRGN-UHFFFAOYSA-N 1 1 374.384 3.332 20 5 FGBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C[C@H](C)[N@@H+]1C ZINC000574341707 505751118 /nfs/dbraw/zinc/75/11/18/505751118.db2.gz IAOXRFYXJXYOQH-GASCZTMLSA-N 1 1 356.426 3.098 20 5 FGBDMO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000110198698 494956693 /nfs/dbraw/zinc/95/66/93/494956693.db2.gz HEJRDBDDTIJBGF-UHFFFAOYSA-N 1 1 359.813 3.036 20 5 FGBDMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000110198698 494956694 /nfs/dbraw/zinc/95/66/94/494956694.db2.gz HEJRDBDDTIJBGF-UHFFFAOYSA-N 1 1 359.813 3.036 20 5 FGBDMO CCO[C@H]1C[C@H]([N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000133124080 494973899 /nfs/dbraw/zinc/97/38/99/494973899.db2.gz GPSUOBKWXVKILN-GJZGRUSLSA-N 1 1 360.414 3.280 20 5 FGBDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000133124080 494973901 /nfs/dbraw/zinc/97/39/01/494973901.db2.gz GPSUOBKWXVKILN-GJZGRUSLSA-N 1 1 360.414 3.280 20 5 FGBDMO C[C@@H]1C[C@H](N(C)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@H+]1C ZINC000122740061 495023417 /nfs/dbraw/zinc/02/34/17/495023417.db2.gz WOISFFKCBAABMB-IUODEOHRSA-N 1 1 374.466 3.273 20 5 FGBDMO O=[N+]([O-])c1ccn(CC[NH2+][C@H](c2cccc(Cl)c2)c2ccccn2)n1 ZINC000133735203 495054307 /nfs/dbraw/zinc/05/43/07/495054307.db2.gz PVEARKJZDMCFJE-QGZVFWFLSA-N 1 1 357.801 3.219 20 5 FGBDMO Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)[NH+]2CCCC2)o1 ZINC000101527493 495071819 /nfs/dbraw/zinc/07/18/19/495071819.db2.gz DGAUPIPOAAFDFN-MRXNPFEDSA-N 1 1 361.373 3.202 20 5 FGBDMO O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000101920495 495107880 /nfs/dbraw/zinc/10/78/80/495107880.db2.gz QFDUBMZYNGELHP-QGZVFWFLSA-N 1 1 372.400 3.172 20 5 FGBDMO CCNC(=O)C[N@H+](CC)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000119283878 495133848 /nfs/dbraw/zinc/13/38/48/495133848.db2.gz TUIDPVMUYDSWCU-UHFFFAOYSA-N 1 1 365.817 3.466 20 5 FGBDMO CCNC(=O)C[N@@H+](CC)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000119283878 495133850 /nfs/dbraw/zinc/13/38/50/495133850.db2.gz TUIDPVMUYDSWCU-UHFFFAOYSA-N 1 1 365.817 3.466 20 5 FGBDMO CCS[C@H]1CCCC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000112090331 495143306 /nfs/dbraw/zinc/14/33/06/495143306.db2.gz FPYHXMPVKALFID-INIZCTEOSA-N 1 1 363.483 3.092 20 5 FGBDMO CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000134503497 495159518 /nfs/dbraw/zinc/15/95/18/495159518.db2.gz XGZKUIQMVGBLCR-IBGZPJMESA-N 1 1 372.421 3.234 20 5 FGBDMO CC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000134503497 495159520 /nfs/dbraw/zinc/15/95/20/495159520.db2.gz XGZKUIQMVGBLCR-IBGZPJMESA-N 1 1 372.421 3.234 20 5 FGBDMO O=C1CC[C@@H]2C[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])CC[C@H]2N1C1CC1 ZINC000119517117 495181132 /nfs/dbraw/zinc/18/11/32/495181132.db2.gz LBSGYRIKWWGZDO-MLGOLLRUSA-N 1 1 363.845 3.224 20 5 FGBDMO O=C1CC[C@@H]2C[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])CC[C@H]2N1C1CC1 ZINC000119517117 495181136 /nfs/dbraw/zinc/18/11/36/495181136.db2.gz LBSGYRIKWWGZDO-MLGOLLRUSA-N 1 1 363.845 3.224 20 5 FGBDMO O=[N+]([O-])c1cccc(Cl)c1C[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000119578406 495194643 /nfs/dbraw/zinc/19/46/43/495194643.db2.gz KXAFDCKPKWYGJI-ZDUSSCGKSA-N 1 1 354.834 3.266 20 5 FGBDMO O=C(CC[N@H+]1CCC=C(c2ccccn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000580516269 505776129 /nfs/dbraw/zinc/77/61/29/505776129.db2.gz GILXNTLRPHBACF-UHFFFAOYSA-N 1 1 352.394 3.108 20 5 FGBDMO C[N@@H+]1CC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1 ZINC000130438764 495391662 /nfs/dbraw/zinc/39/16/62/495391662.db2.gz YWNQAPSCBJDTNF-MJGOQNOKSA-N 1 1 373.840 3.352 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1 ZINC000130438764 495391666 /nfs/dbraw/zinc/39/16/66/495391666.db2.gz YWNQAPSCBJDTNF-MJGOQNOKSA-N 1 1 373.840 3.352 20 5 FGBDMO CC[N@H+](Cc1ccc(OC)c(OC)c1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136894331 495408454 /nfs/dbraw/zinc/40/84/54/495408454.db2.gz NSAXFIOYZXKQQS-QGZVFWFLSA-N 1 1 360.410 3.168 20 5 FGBDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000130624325 495421063 /nfs/dbraw/zinc/42/10/63/495421063.db2.gz CXGQVYGZNQMKJD-QGZVFWFLSA-N 1 1 371.441 3.409 20 5 FGBDMO O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000130639573 495423628 /nfs/dbraw/zinc/42/36/28/495423628.db2.gz MBQCGNFVUCRQCT-MRXNPFEDSA-N 1 1 357.385 3.128 20 5 FGBDMO O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000114787150 495425900 /nfs/dbraw/zinc/42/59/00/495425900.db2.gz MBDWUBONPNBGOG-LJQANCHMSA-N 1 1 368.437 3.059 20 5 FGBDMO C[C@H]1CCC[N@H+]1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000125348106 495430039 /nfs/dbraw/zinc/43/00/39/495430039.db2.gz SBPWYJYBQXBBQH-LBPRGKRZSA-N 1 1 351.834 3.337 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@H+](C[C@H](O)COCc2cccs2)C2CC2)cc1 ZINC000130689406 495430711 /nfs/dbraw/zinc/43/07/11/495430711.db2.gz WWYTVWYUQIKBPW-KRWDZBQOSA-N 1 1 362.451 3.198 20 5 FGBDMO NC(=O)c1ccc(C[NH+]2CCC(OC3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000125521671 495457977 /nfs/dbraw/zinc/45/79/77/495457977.db2.gz XAAFJZPPNSAFOK-UHFFFAOYSA-N 1 1 361.442 3.007 20 5 FGBDMO CCO[C@H]1C[C@H]([N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C12CCC2 ZINC000120864896 495474202 /nfs/dbraw/zinc/47/42/02/495474202.db2.gz XSLUCOMHDGYGKZ-HOTGVXAUSA-N 1 1 372.425 3.424 20 5 FGBDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C12CCC2 ZINC000120864896 495474206 /nfs/dbraw/zinc/47/42/06/495474206.db2.gz XSLUCOMHDGYGKZ-HOTGVXAUSA-N 1 1 372.425 3.424 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCC[C@@H]3CN3CCOCC3)o2)c1 ZINC000125695307 495484583 /nfs/dbraw/zinc/48/45/83/495484583.db2.gz IODYBEJTJNKKMN-GOSISDBHSA-N 1 1 371.437 3.151 20 5 FGBDMO CCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCCCO1 ZINC000106866275 495503740 /nfs/dbraw/zinc/50/37/40/495503740.db2.gz SCTLIDOSWWBSOB-AWEZNQCLSA-N 1 1 369.849 3.468 20 5 FGBDMO CCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCCCO1 ZINC000106866275 495503742 /nfs/dbraw/zinc/50/37/42/495503742.db2.gz SCTLIDOSWWBSOB-AWEZNQCLSA-N 1 1 369.849 3.468 20 5 FGBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000115438669 495504326 /nfs/dbraw/zinc/50/43/26/495504326.db2.gz IBAJXGIHPWHLDD-ZDUSSCGKSA-N 1 1 374.466 3.132 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000179314747 495539212 /nfs/dbraw/zinc/53/92/12/495539212.db2.gz NCTMNNNOWBNCIC-OAHLLOKOSA-N 1 1 361.829 3.117 20 5 FGBDMO COc1cccc(CCC[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000173470125 495544428 /nfs/dbraw/zinc/54/44/28/495544428.db2.gz CGXUFEANSORODN-INIZCTEOSA-N 1 1 356.426 3.117 20 5 FGBDMO O=[N+]([O-])c1ccn(CC[N@@H+](Cc2cccc(Br)c2)C2CC2)n1 ZINC000176206112 495546172 /nfs/dbraw/zinc/54/61/72/495546172.db2.gz QRFRNDLDFMMXDY-UHFFFAOYSA-N 1 1 365.231 3.218 20 5 FGBDMO CSc1ccc(C(=O)NCCC[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000170665710 495553471 /nfs/dbraw/zinc/55/34/71/495553471.db2.gz IYALCSBQAVCHJW-CYBMUJFWSA-N 1 1 351.472 3.311 20 5 FGBDMO O=C1CC[C@@H]2C[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)CC[C@@H]2N1C1CC1 ZINC000179442657 495593014 /nfs/dbraw/zinc/59/30/14/495593014.db2.gz VWGBSGUDJORALN-PXAZEXFGSA-N 1 1 363.845 3.224 20 5 FGBDMO O=C1CC[C@@H]2C[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)CC[C@@H]2N1C1CC1 ZINC000179442657 495593021 /nfs/dbraw/zinc/59/30/21/495593021.db2.gz VWGBSGUDJORALN-PXAZEXFGSA-N 1 1 363.845 3.224 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000185524168 495610164 /nfs/dbraw/zinc/61/01/64/495610164.db2.gz MDQNYVYDVRPTOR-LMMKCTJWSA-N 1 1 359.470 3.106 20 5 FGBDMO COc1ccccc1CCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000182617008 495637974 /nfs/dbraw/zinc/63/79/74/495637974.db2.gz RYIHSOCQVVDRJN-INIZCTEOSA-N 1 1 356.426 3.117 20 5 FGBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000179708236 495699205 /nfs/dbraw/zinc/69/92/05/495699205.db2.gz PMROAQSHPBHBPE-CYBMUJFWSA-N 1 1 361.829 3.499 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCS[C@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000173860043 495723237 /nfs/dbraw/zinc/72/32/37/495723237.db2.gz QXDZRJOFHKCNPS-CJNGLKHVSA-N 1 1 351.472 3.304 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCS[C@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000173860043 495723242 /nfs/dbraw/zinc/72/32/42/495723242.db2.gz QXDZRJOFHKCNPS-CJNGLKHVSA-N 1 1 351.472 3.304 20 5 FGBDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000173866697 495725640 /nfs/dbraw/zinc/72/56/40/495725640.db2.gz XIXFOPMUZCRVHM-HZPDHXFCSA-N 1 1 351.472 3.164 20 5 FGBDMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000159536532 495754774 /nfs/dbraw/zinc/75/47/74/495754774.db2.gz AFAQRPWBAJERNF-JSGCOSHPSA-N 1 1 359.451 3.409 20 5 FGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159778207 495807626 /nfs/dbraw/zinc/80/76/26/495807626.db2.gz FKYSOGDRVLXKJL-AWEZNQCLSA-N 1 1 356.426 3.120 20 5 FGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000159778207 495807631 /nfs/dbraw/zinc/80/76/31/495807631.db2.gz FKYSOGDRVLXKJL-AWEZNQCLSA-N 1 1 356.426 3.120 20 5 FGBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000151384531 495823829 /nfs/dbraw/zinc/82/38/29/495823829.db2.gz OIFNIHPSNYADIP-CQSZACIVSA-N 1 1 371.441 3.110 20 5 FGBDMO C[S@@](=O)C[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000183106211 495837099 /nfs/dbraw/zinc/83/70/99/495837099.db2.gz SLMUPZGUBSNVDT-IQMFZBJNSA-N 1 1 352.843 3.458 20 5 FGBDMO COc1cc(C[N@H+]2CCCN3c4ccccc4C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000577904439 505815606 /nfs/dbraw/zinc/81/56/06/505815606.db2.gz GEWSBVZPWOIVNZ-QGZVFWFLSA-N 1 1 353.422 3.240 20 5 FGBDMO Cc1sc2[nH]c(C[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)nc(=O)c2c1C ZINC000180450078 496000652 /nfs/dbraw/zinc/00/06/52/496000652.db2.gz DBFQNXVCOFNQQT-SNVBAGLBSA-N 1 1 358.423 3.360 20 5 FGBDMO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000183616925 496050531 /nfs/dbraw/zinc/05/05/31/496050531.db2.gz UGEKDHPXRPDQNB-UHFFFAOYSA-N 1 1 361.446 3.110 20 5 FGBDMO C[C@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000171850936 496062547 /nfs/dbraw/zinc/06/25/47/496062547.db2.gz GBQGJFCYHRLQRP-MRXNPFEDSA-N 1 1 370.453 3.257 20 5 FGBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000152160398 496065533 /nfs/dbraw/zinc/06/55/33/496065533.db2.gz NBRHZJRMKBRUKW-SFHVURJKSA-N 1 1 360.458 3.143 20 5 FGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c1 ZINC000177448802 496065933 /nfs/dbraw/zinc/06/59/33/496065933.db2.gz ACYNVBRTQFDETM-MRXNPFEDSA-N 1 1 354.834 3.408 20 5 FGBDMO Cn1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c(-c2ccncc2)n1 ZINC000183802385 496121420 /nfs/dbraw/zinc/12/14/20/496121420.db2.gz PZEIRNPKFPDPEJ-UHFFFAOYSA-N 1 1 357.801 3.334 20 5 FGBDMO O=C(C1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1)N1CCCCC1 ZINC000172019849 496131393 /nfs/dbraw/zinc/13/13/93/496131393.db2.gz VZYPIGSTEVGMON-UHFFFAOYSA-N 1 1 365.861 3.473 20 5 FGBDMO CSC1(CNc2cc(C)nc3ccc([N+](=O)[O-])cc32)CC[NH+](C)CC1 ZINC000571847474 505826983 /nfs/dbraw/zinc/82/69/83/505826983.db2.gz DSTLQBHGUABISH-UHFFFAOYSA-N 1 1 360.483 3.113 20 5 FGBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000174955319 496180418 /nfs/dbraw/zinc/18/04/18/496180418.db2.gz WZHIOMAVCNPARD-INIZCTEOSA-N 1 1 371.412 3.328 20 5 FGBDMO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000172177988 496197694 /nfs/dbraw/zinc/19/76/94/496197694.db2.gz GCBFYJCZETWBFE-ZDUSSCGKSA-N 1 1 353.850 3.377 20 5 FGBDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000172177988 496197698 /nfs/dbraw/zinc/19/76/98/496197698.db2.gz GCBFYJCZETWBFE-ZDUSSCGKSA-N 1 1 353.850 3.377 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000156550736 496276151 /nfs/dbraw/zinc/27/61/51/496276151.db2.gz RCEADRFZMLARSF-MAUKXSAKSA-N 1 1 371.441 3.011 20 5 FGBDMO C[C@H]1C[C@H](N(C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@H+]1C ZINC000175306368 496332067 /nfs/dbraw/zinc/33/20/67/496332067.db2.gz NZGMJJQSDBGPJJ-WDEREUQCSA-N 1 1 372.372 3.143 20 5 FGBDMO C[C@]1(CNC(=O)Cc2cccc([N+](=O)[O-])c2)CCC[N@H+]1Cc1ccccc1 ZINC000162315695 496335149 /nfs/dbraw/zinc/33/51/49/496335149.db2.gz KSWRHPUMFVOROB-OAQYLSRUSA-N 1 1 367.449 3.308 20 5 FGBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000178149740 496347541 /nfs/dbraw/zinc/34/75/41/496347541.db2.gz HUYKNJMCFPOTBD-MJGOQNOKSA-N 1 1 374.485 3.043 20 5 FGBDMO O=C(CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)Nc1cc(F)cc(F)c1 ZINC000153102422 496354046 /nfs/dbraw/zinc/35/40/46/496354046.db2.gz GGRRCELBLKRWOU-UHFFFAOYSA-N 1 1 361.348 3.260 20 5 FGBDMO O=C(CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)Nc1cc(F)cc(F)c1 ZINC000153102422 496354047 /nfs/dbraw/zinc/35/40/47/496354047.db2.gz GGRRCELBLKRWOU-UHFFFAOYSA-N 1 1 361.348 3.260 20 5 FGBDMO O=C(CC[N@H+]1CCC[C@H](c2nccs2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000157013382 496386274 /nfs/dbraw/zinc/38/62/74/496386274.db2.gz SSPLEEUXFHKDRI-ZDUSSCGKSA-N 1 1 360.439 3.260 20 5 FGBDMO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CCc1ccncc1 ZINC000181457779 496404031 /nfs/dbraw/zinc/40/40/31/496404031.db2.gz AHOWHLMFXQDPQE-UHFFFAOYSA-N 1 1 352.394 3.362 20 5 FGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000181458330 496404942 /nfs/dbraw/zinc/40/49/42/496404942.db2.gz BHTVOPOJEGZVMT-NOLJZWGESA-N 1 1 360.414 3.189 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000157162668 496419284 /nfs/dbraw/zinc/41/92/84/496419284.db2.gz AFJVKPOGWDGVNL-VBQJREDUSA-N 1 1 363.483 3.018 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)c1 ZINC000172824816 496448278 /nfs/dbraw/zinc/44/82/78/496448278.db2.gz RPHOGUFRQYIWJD-UHFFFAOYSA-N 1 1 368.437 3.297 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157454426 496479995 /nfs/dbraw/zinc/47/99/95/496479995.db2.gz FLHVRZIAXXKXIF-KRWDZBQOSA-N 1 1 374.485 3.182 20 5 FGBDMO Cc1cnc(CC[N@@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)s1 ZINC000157538786 496499216 /nfs/dbraw/zinc/49/92/16/496499216.db2.gz XJCFTQVGTCNVOV-UHFFFAOYSA-N 1 1 359.411 3.084 20 5 FGBDMO Cc1cnc(CC[N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)s1 ZINC000157538786 496499223 /nfs/dbraw/zinc/49/92/23/496499223.db2.gz XJCFTQVGTCNVOV-UHFFFAOYSA-N 1 1 359.411 3.084 20 5 FGBDMO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CCc1nccs1 ZINC000157937020 496590204 /nfs/dbraw/zinc/59/02/04/496590204.db2.gz QJIMFLDKOIIHRP-UHFFFAOYSA-N 1 1 358.423 3.423 20 5 FGBDMO Cn1cc(-c2cc(C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C3CC3)on2)cn1 ZINC000185045133 496635868 /nfs/dbraw/zinc/63/58/68/496635868.db2.gz DEBAWTADVMYGOT-UHFFFAOYSA-N 1 1 353.382 3.148 20 5 FGBDMO Cn1cc(-c2cc(C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C3CC3)on2)cn1 ZINC000185045133 496635872 /nfs/dbraw/zinc/63/58/72/496635872.db2.gz DEBAWTADVMYGOT-UHFFFAOYSA-N 1 1 353.382 3.148 20 5 FGBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000153982422 496643914 /nfs/dbraw/zinc/64/39/14/496643914.db2.gz JLJHJAVVKMCBHF-AWEZNQCLSA-N 1 1 365.449 3.293 20 5 FGBDMO CSc1cccc(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000188018981 496654607 /nfs/dbraw/zinc/65/46/07/496654607.db2.gz BRSXZHSLLILJKX-ZDUSSCGKSA-N 1 1 351.472 3.311 20 5 FGBDMO Cc1c(Br)c(N[C@H](C)C[NH+]2CCCCC2)ncc1[N+](=O)[O-] ZINC000165743202 496667608 /nfs/dbraw/zinc/66/76/08/496667608.db2.gz OAIRZTZGCOXJFT-SNVBAGLBSA-N 1 1 357.252 3.347 20 5 FGBDMO C[S@](=O)C[C@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000182095959 496668311 /nfs/dbraw/zinc/66/83/11/496668311.db2.gz VLBKMWIEXHPZCG-WNSKOXEYSA-N 1 1 352.843 3.458 20 5 FGBDMO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182101982 496670168 /nfs/dbraw/zinc/67/01/68/496670168.db2.gz YFUGFNKRANEIGL-AWEZNQCLSA-N 1 1 353.850 3.377 20 5 FGBDMO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182101982 496670174 /nfs/dbraw/zinc/67/01/74/496670174.db2.gz YFUGFNKRANEIGL-AWEZNQCLSA-N 1 1 353.850 3.377 20 5 FGBDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)c3cccc([N+](=O)[O-])c3N)c2C1 ZINC000158335645 496678683 /nfs/dbraw/zinc/67/86/83/496678683.db2.gz ILOJJPSMMZOHMD-UHFFFAOYSA-N 1 1 354.410 3.401 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000179181098 496702888 /nfs/dbraw/zinc/70/28/88/496702888.db2.gz OZNZRDPKZMWGPD-BEFAXECRSA-N 1 1 359.470 3.442 20 5 FGBDMO C[N@@H+](Cc1nc2ccccc2s1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182198713 496704507 /nfs/dbraw/zinc/70/45/07/496704507.db2.gz CMCCCASAKBBMFX-CYBMUJFWSA-N 1 1 373.434 3.076 20 5 FGBDMO C[N@H+](Cc1nc2ccccc2s1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182198713 496704512 /nfs/dbraw/zinc/70/45/12/496704512.db2.gz CMCCCASAKBBMFX-CYBMUJFWSA-N 1 1 373.434 3.076 20 5 FGBDMO COc1cccc([C@H]2CCC[N@H+]2C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000182200246 496705527 /nfs/dbraw/zinc/70/55/27/496705527.db2.gz GUCBFYAPJYIWPU-FUHWJXTLSA-N 1 1 372.421 3.180 20 5 FGBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCCC[C@H]2/C=C/c2ccccc2)c1 ZINC000247076602 496772487 /nfs/dbraw/zinc/77/24/87/496772487.db2.gz XHHSGXURVGYNCE-SWECLWCZSA-N 1 1 370.453 3.110 20 5 FGBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000247089350 496776222 /nfs/dbraw/zinc/77/62/22/496776222.db2.gz WJHWXZNBLICBID-LSDHHAIUSA-N 1 1 363.433 3.461 20 5 FGBDMO COc1ccc(OCC[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000569175231 505868580 /nfs/dbraw/zinc/86/85/80/505868580.db2.gz FQCUOYGOISIKJX-ZWKOTPCHSA-N 1 1 362.426 3.016 20 5 FGBDMO C[C@H](c1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1)[NH+]1CCOCC1 ZINC000264318943 496870999 /nfs/dbraw/zinc/87/09/99/496870999.db2.gz GEKSLDJTQHNGKW-GFCCVEGCSA-N 1 1 361.423 3.302 20 5 FGBDMO O=c1cc(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c2c(ccc3ccccc32)o1 ZINC000247490925 496872011 /nfs/dbraw/zinc/87/20/11/496872011.db2.gz WWGKYFUKECJCDD-UYAOXDASSA-N 1 1 365.429 3.326 20 5 FGBDMO O=c1cc(C[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c2c(ccc3ccccc32)o1 ZINC000247490925 496872014 /nfs/dbraw/zinc/87/20/14/496872014.db2.gz WWGKYFUKECJCDD-UYAOXDASSA-N 1 1 365.429 3.326 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000248078802 496952617 /nfs/dbraw/zinc/95/26/17/496952617.db2.gz RMFWKJHMORNTCZ-DLBZAZTESA-N 1 1 359.813 3.423 20 5 FGBDMO CSc1ccc(C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000195625257 496955500 /nfs/dbraw/zinc/95/55/00/496955500.db2.gz UQGMZFAASXJUOV-MJBXVCDLSA-N 1 1 365.499 3.413 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)C1 ZINC000269499339 496959895 /nfs/dbraw/zinc/95/98/95/496959895.db2.gz DXPXRYNKRFFAJN-LRDDRELGSA-N 1 1 368.865 3.120 20 5 FGBDMO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)CC2 ZINC000248588550 497049328 /nfs/dbraw/zinc/04/93/28/497049328.db2.gz QRNKNPMINLHPNY-LZWOXQAQSA-N 1 1 363.433 3.311 20 5 FGBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000278255386 497052381 /nfs/dbraw/zinc/05/23/81/497052381.db2.gz WIZFWVJNMXCXKR-DJJJIMSYSA-N 1 1 361.445 3.306 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1CNC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192356382 497086746 /nfs/dbraw/zinc/08/67/46/497086746.db2.gz FJHMKYVYMAMXTB-NRFANRHFSA-N 1 1 369.465 3.284 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000192356382 497086751 /nfs/dbraw/zinc/08/67/51/497086751.db2.gz FJHMKYVYMAMXTB-NRFANRHFSA-N 1 1 369.465 3.284 20 5 FGBDMO CC(C)[NH+]1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)CC1 ZINC000270518478 497144132 /nfs/dbraw/zinc/14/41/32/497144132.db2.gz ZMDAMVPTJSJSTK-UHFFFAOYSA-N 1 1 366.893 3.243 20 5 FGBDMO CN1CCN(CCC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000237208510 497204313 /nfs/dbraw/zinc/20/43/13/497204313.db2.gz LYWFKXAYQKQING-UHFFFAOYSA-N 1 1 374.510 3.050 20 5 FGBDMO O=C1CCCN1[C@@H]1CC[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000270832948 497212274 /nfs/dbraw/zinc/21/22/74/497212274.db2.gz CXOMXIUEGKRAQH-QGZVFWFLSA-N 1 1 362.429 3.143 20 5 FGBDMO O=[N+]([O-])c1ccc(CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000192933296 497251290 /nfs/dbraw/zinc/25/12/90/497251290.db2.gz HBTTVEBYBCQBPE-INIZCTEOSA-N 1 1 370.409 3.115 20 5 FGBDMO COc1ccc([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000249902264 497257320 /nfs/dbraw/zinc/25/73/20/497257320.db2.gz TZLHMOOIUHMMEW-GDBMZVCRSA-N 1 1 369.421 3.420 20 5 FGBDMO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])n2)c1 ZINC000578247379 505897530 /nfs/dbraw/zinc/89/75/30/505897530.db2.gz TUNAGYCKOPHYRH-WFASDCNBSA-N 1 1 364.409 3.421 20 5 FGBDMO O=C(NCc1ccccc1[N+](=O)[O-])N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000193200920 497322661 /nfs/dbraw/zinc/32/26/61/497322661.db2.gz FRYGUIZLSBAPBQ-SFHVURJKSA-N 1 1 368.437 3.059 20 5 FGBDMO O=[N+]([O-])c1ccccc1/C=C\CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000255898664 497377446 /nfs/dbraw/zinc/37/74/46/497377446.db2.gz BAJNUTLYHKHVSQ-ALCCZGGFSA-N 1 1 359.470 3.185 20 5 FGBDMO C[N@H+]1CC[C@H](CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000275755582 497423418 /nfs/dbraw/zinc/42/34/18/497423418.db2.gz YVFDXKOUCYOZPQ-LLVKDONJSA-N 1 1 371.387 3.053 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)C[C@H]1CCCC[C@H]1O ZINC000245554265 497454170 /nfs/dbraw/zinc/45/41/70/497454170.db2.gz SAPYMUCOXJBBTP-XHBSWPGZSA-N 1 1 369.849 3.058 20 5 FGBDMO COc1cccc2c1CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000193720258 497458177 /nfs/dbraw/zinc/45/81/77/497458177.db2.gz KPUSJWRGUGAZLG-UHFFFAOYSA-N 1 1 369.421 3.033 20 5 FGBDMO CC(C)(C)c1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000261976752 497486333 /nfs/dbraw/zinc/48/63/33/497486333.db2.gz NTDHQJMMBPNSQQ-GOSISDBHSA-N 1 1 368.437 3.074 20 5 FGBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000262094419 497507706 /nfs/dbraw/zinc/50/77/06/497507706.db2.gz YVTLUPMQZCUOSG-GOSISDBHSA-N 1 1 373.840 3.354 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000267506671 497569403 /nfs/dbraw/zinc/56/94/03/497569403.db2.gz YQCWGJBVYYYVQP-KDOFPFPSSA-N 1 1 371.412 3.374 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000572209794 505914913 /nfs/dbraw/zinc/91/49/13/505914913.db2.gz LVWPPACKTHZBPL-WBVHZDCISA-N 1 1 374.485 3.140 20 5 FGBDMO CCOc1cc(N2CC[NH+](Cc3ccc(CC)nc3)CC2)ccc1[N+](=O)[O-] ZINC000575094693 505919461 /nfs/dbraw/zinc/91/94/61/505919461.db2.gz KJHMONFHMTXOJT-UHFFFAOYSA-N 1 1 370.453 3.273 20 5 FGBDMO Cc1c([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000246266908 497678744 /nfs/dbraw/zinc/67/87/44/497678744.db2.gz AGQITXCICOKZQE-RYGJVYDSSA-N 1 1 361.486 3.322 20 5 FGBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000268114347 497681021 /nfs/dbraw/zinc/68/10/21/497681021.db2.gz JVICTXGWFXOTRE-SJCJKPOMSA-N 1 1 358.467 3.291 20 5 FGBDMO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000268114347 497681025 /nfs/dbraw/zinc/68/10/25/497681025.db2.gz JVICTXGWFXOTRE-SJCJKPOMSA-N 1 1 358.467 3.291 20 5 FGBDMO C[C@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272761035 497724193 /nfs/dbraw/zinc/72/41/93/497724193.db2.gz OSKMSALQUNFYQM-RDJZCZTQSA-N 1 1 374.485 3.090 20 5 FGBDMO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000246477954 497747069 /nfs/dbraw/zinc/74/70/69/497747069.db2.gz VQVFJBUYFSUYTQ-LESCRADOSA-N 1 1 360.458 3.313 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@H]4OCCC[C@H]4C3)o2)c1 ZINC000246531463 497765361 /nfs/dbraw/zinc/76/53/61/497765361.db2.gz GBTYKSDYGDZYKP-DOTOQJQBSA-N 1 1 357.410 3.293 20 5 FGBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]2c2cccc3ccccc32)c1 ZINC000246807201 497812623 /nfs/dbraw/zinc/81/26/23/497812623.db2.gz WFBAWOSVKGFENT-YLJYHZDGSA-N 1 1 366.421 3.143 20 5 FGBDMO COc1cc(C[NH+]2CCC(Oc3ncccc3C)CC2)ccc1[N+](=O)[O-] ZINC000575166250 505935128 /nfs/dbraw/zinc/93/51/28/505935128.db2.gz AOXLPFIAPLENPS-UHFFFAOYSA-N 1 1 357.410 3.350 20 5 FGBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000280763122 497888713 /nfs/dbraw/zinc/88/87/13/497888713.db2.gz BEJOWVXWWZPMES-SJORKVTESA-N 1 1 366.421 3.013 20 5 FGBDMO COC[C@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000284902420 497936006 /nfs/dbraw/zinc/93/60/06/497936006.db2.gz CGIJLXXGKMOJES-HWPZZCPQSA-N 1 1 351.353 3.494 20 5 FGBDMO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@H+](C2CCC2)C1 ZINC000292302852 497960635 /nfs/dbraw/zinc/96/06/35/497960635.db2.gz ICCZDYUYDKGPPN-CQSZACIVSA-N 1 1 368.437 3.089 20 5 FGBDMO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@@H](C)c3ccc(N)c([N+](=O)[O-])c3)n2)c1 ZINC000285076169 497988110 /nfs/dbraw/zinc/98/81/10/497988110.db2.gz JKIXYYITYYEJKT-RYUDHWBXSA-N 1 1 367.413 3.077 20 5 FGBDMO CN(c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C)C1 ZINC000301347087 498067456 /nfs/dbraw/zinc/06/74/56/498067456.db2.gz KUOXYHDBLATPQZ-KRWDZBQOSA-N 1 1 353.422 3.356 20 5 FGBDMO CC(C)[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000572456804 505973359 /nfs/dbraw/zinc/97/33/59/505973359.db2.gz DVRRDVCLXOJZMH-AWEZNQCLSA-N 1 1 358.417 3.360 20 5 FGBDMO C[C@H]1C[C@@H](N2CCCC2)C[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000285422000 498080237 /nfs/dbraw/zinc/08/02/37/498080237.db2.gz DSVYHFQFMARMCS-MAUKXSAKSA-N 1 1 370.453 3.351 20 5 FGBDMO C[C@H]1C[C@@H](N2CCCC2)C[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000285422000 498080228 /nfs/dbraw/zinc/08/02/28/498080228.db2.gz DSVYHFQFMARMCS-MAUKXSAKSA-N 1 1 370.453 3.351 20 5 FGBDMO CC(C)[N@H+]1CCCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000292632538 498086808 /nfs/dbraw/zinc/08/68/08/498086808.db2.gz YVMSOTNLVXKEIT-CQSZACIVSA-N 1 1 359.430 3.122 20 5 FGBDMO Cc1cc(Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)ncc1[N+](=O)[O-] ZINC000301435552 498109193 /nfs/dbraw/zinc/10/91/93/498109193.db2.gz MEKCPWMVLBVDLV-UHFFFAOYSA-N 1 1 361.833 3.447 20 5 FGBDMO CC[N@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000301507209 498139895 /nfs/dbraw/zinc/13/98/95/498139895.db2.gz ABOQTWSFADMECT-MRXNPFEDSA-N 1 1 360.458 3.117 20 5 FGBDMO C[C@H]([NH2+]CC(=O)Nc1nnc(C(C)(C)C)s1)c1ccc([N+](=O)[O-])cc1 ZINC000296682921 498150694 /nfs/dbraw/zinc/15/06/94/498150694.db2.gz INKXOPKZJBJHRH-JTQLQIEISA-N 1 1 363.443 3.033 20 5 FGBDMO Cc1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301698925 498229881 /nfs/dbraw/zinc/22/98/81/498229881.db2.gz DLVWENJXOKGIAA-SJLPKXTDSA-N 1 1 367.453 3.281 20 5 FGBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293031565 498242152 /nfs/dbraw/zinc/24/21/52/498242152.db2.gz AAJOPMJQMPWJOG-NSHDSACASA-N 1 1 359.348 3.027 20 5 FGBDMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1cc([N+](=O)[O-])c(C)cc1F ZINC000296905692 498245615 /nfs/dbraw/zinc/24/56/15/498245615.db2.gz YDWLPIICPQTZKZ-CYBMUJFWSA-N 1 1 361.377 3.244 20 5 FGBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCOC(C)(C)C1 ZINC000289743655 498272742 /nfs/dbraw/zinc/27/27/42/498272742.db2.gz JUHFGYBFGKLSKM-ZDUSSCGKSA-N 1 1 369.849 3.466 20 5 FGBDMO C[N@H+]1CC[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@@H]1c1ccccc1 ZINC000301825794 498281067 /nfs/dbraw/zinc/28/10/67/498281067.db2.gz DWYIDZRMRCWHHT-YWZLYKJASA-N 1 1 366.421 3.337 20 5 FGBDMO Cc1cc(N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301833378 498285564 /nfs/dbraw/zinc/28/55/64/498285564.db2.gz SCEDEBRVUKMZCI-GUYCJALGSA-N 1 1 355.442 3.137 20 5 FGBDMO CN(CC[C@@H]1CCCC[N@H+]1C)c1c(Br)cncc1[N+](=O)[O-] ZINC000301856175 498295227 /nfs/dbraw/zinc/29/52/27/498295227.db2.gz CAXXYOHIHJDGHB-NSHDSACASA-N 1 1 357.252 3.063 20 5 FGBDMO COc1cc(NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000301862038 498300383 /nfs/dbraw/zinc/30/03/83/498300383.db2.gz LGXCJOQKZZDPRR-VXGBXAGGSA-N 1 1 355.410 3.042 20 5 FGBDMO CC(=O)N(C)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000293280119 498331443 /nfs/dbraw/zinc/33/14/43/498331443.db2.gz YKVSMJJEJPJQQG-UHFFFAOYSA-N 1 1 359.348 3.056 20 5 FGBDMO Cc1cc(N2CCC[N@H+](C3CCOCC3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000301990052 498358914 /nfs/dbraw/zinc/35/89/14/498358914.db2.gz FJBDNBXOXSVVCG-UHFFFAOYSA-N 1 1 370.453 3.143 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)c(N2CC[C@H](C[NH+]3CCOCC3)C2)c(Cl)c1 ZINC000302010633 498366783 /nfs/dbraw/zinc/36/67/83/498366783.db2.gz CFMLIYJQEIRPML-LLVKDONJSA-N 1 1 360.241 3.060 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@@H](Nc3sccc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000302028987 498374614 /nfs/dbraw/zinc/37/46/14/498374614.db2.gz RIMVZBJKZJHBMU-CYBMUJFWSA-N 1 1 363.439 3.360 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@H](Nc3sccc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000302028987 498374618 /nfs/dbraw/zinc/37/46/18/498374618.db2.gz RIMVZBJKZJHBMU-CYBMUJFWSA-N 1 1 363.439 3.360 20 5 FGBDMO COc1cc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc(OC)c1O ZINC000581634259 506032665 /nfs/dbraw/zinc/03/26/65/506032665.db2.gz GTCSYHVPGBJBEB-UHFFFAOYSA-N 1 1 358.394 3.482 20 5 FGBDMO COc1cc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc(OC)c1O ZINC000581634259 506032668 /nfs/dbraw/zinc/03/26/68/506032668.db2.gz GTCSYHVPGBJBEB-UHFFFAOYSA-N 1 1 358.394 3.482 20 5 FGBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000331718929 498431448 /nfs/dbraw/zinc/43/14/48/498431448.db2.gz QHRRVYQBBMTQCD-CYBMUJFWSA-N 1 1 358.442 3.316 20 5 FGBDMO C[N@H+]1CCC[C@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000361828850 498436915 /nfs/dbraw/zinc/43/69/15/498436915.db2.gz IVNVQTHFEUWHNQ-CXAGYDPISA-N 1 1 374.466 3.250 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@H](C[C@@H]4CCOC4)C3)n2)cc1 ZINC000362287315 498487315 /nfs/dbraw/zinc/48/73/15/498487315.db2.gz VJXRMAMHIORDDV-CABCVRRESA-N 1 1 372.425 3.283 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@H](C[C@@H]4CCOC4)C3)n2)cc1 ZINC000362287320 498488303 /nfs/dbraw/zinc/48/83/03/498488303.db2.gz VJXRMAMHIORDDV-GJZGRUSLSA-N 1 1 372.425 3.283 20 5 FGBDMO Cc1cc(CNC(=O)c2cccc([N+](=O)[O-])c2C)cc(N2CCCC2)[nH+]1 ZINC000290287537 498495122 /nfs/dbraw/zinc/49/51/22/498495122.db2.gz DWAJMVGBUDIJRX-UHFFFAOYSA-N 1 1 354.410 3.137 20 5 FGBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)n1 ZINC000365516435 498507600 /nfs/dbraw/zinc/50/76/00/498507600.db2.gz RESKGZCZLYHQOD-UHFFFAOYSA-N 1 1 353.382 3.283 20 5 FGBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000297603982 498508096 /nfs/dbraw/zinc/50/80/96/498508096.db2.gz HHSRBHMIRUJPCJ-GWCFXTLKSA-N 1 1 359.348 3.026 20 5 FGBDMO Cc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2C)cc(N2CCCC2)[nH+]1 ZINC000290383228 498530850 /nfs/dbraw/zinc/53/08/50/498530850.db2.gz OIIINJPIMRAKLW-UHFFFAOYSA-N 1 1 354.410 3.137 20 5 FGBDMO CC(C)c1nccn1[C@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000362781609 498552535 /nfs/dbraw/zinc/55/25/35/498552535.db2.gz OEUIBQYGZXYKLJ-ROUUACIJSA-N 1 1 358.442 3.285 20 5 FGBDMO C[C@@H]1C[N@H+](CC2CCN(Cc3ccc([N+](=O)[O-])cc3F)CC2)C[C@H](C)O1 ZINC000332094759 498559784 /nfs/dbraw/zinc/55/97/84/498559784.db2.gz BKGYBVQVTQCCNJ-GASCZTMLSA-N 1 1 365.449 3.055 20 5 FGBDMO Cc1c(CN2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000332108138 498563433 /nfs/dbraw/zinc/56/34/33/498563433.db2.gz HOACVHRIDWSUHU-IYBDPMFKSA-N 1 1 361.486 3.224 20 5 FGBDMO Cc1c(CN2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000332108138 498563435 /nfs/dbraw/zinc/56/34/35/498563435.db2.gz HOACVHRIDWSUHU-IYBDPMFKSA-N 1 1 361.486 3.224 20 5 FGBDMO O=[N+]([O-])c1c(F)cccc1NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000302882270 498613856 /nfs/dbraw/zinc/61/38/56/498613856.db2.gz JUVOPVHDEPQFQT-MRXNPFEDSA-N 1 1 359.401 3.303 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@H](Oc4ccccc4)C3)o2)cc1 ZINC000363064931 498631016 /nfs/dbraw/zinc/63/10/16/498631016.db2.gz MVLIFKNPGROHQS-KRWDZBQOSA-N 1 1 366.377 3.298 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@H](Oc4ccccc4)C3)o2)cc1 ZINC000363064931 498631019 /nfs/dbraw/zinc/63/10/19/498631019.db2.gz MVLIFKNPGROHQS-KRWDZBQOSA-N 1 1 366.377 3.298 20 5 FGBDMO COc1cc(C)c(C[N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)cc1OC ZINC000302978692 498636014 /nfs/dbraw/zinc/63/60/14/498636014.db2.gz URDZMFJQGWPOKW-UHFFFAOYSA-N 1 1 360.410 3.431 20 5 FGBDMO CCS[C@H]1CCCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000303467308 498678047 /nfs/dbraw/zinc/67/80/47/498678047.db2.gz PQLJTFHALPGTGH-IRXDYDNUSA-N 1 1 363.483 3.308 20 5 FGBDMO COCCOCC[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000572888803 506076524 /nfs/dbraw/zinc/07/65/24/506076524.db2.gz LGTCTOTVIWDVQK-UHFFFAOYSA-N 1 1 350.440 3.418 20 5 FGBDMO Cc1ccc(C[C@H](C)[N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC000303754787 498711028 /nfs/dbraw/zinc/71/10/28/498711028.db2.gz MTGMEIYBLALDEE-INIZCTEOSA-N 1 1 367.449 3.355 20 5 FGBDMO C[NH+](C)[C@@H](CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])c1ccco1 ZINC000294501652 498712251 /nfs/dbraw/zinc/71/22/51/498712251.db2.gz XFOGGTDRBCGAKR-ZDUSSCGKSA-N 1 1 371.315 3.239 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]CC(C)(C)c1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000294810284 498812021 /nfs/dbraw/zinc/81/20/21/498812021.db2.gz NTJJGLXGHYZXMX-GOSISDBHSA-N 1 1 365.437 3.380 20 5 FGBDMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291372755 498915118 /nfs/dbraw/zinc/91/51/18/498915118.db2.gz APUSQSZMJFTEKK-SECBINFHSA-N 1 1 358.225 3.116 20 5 FGBDMO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCCC[C@H]1C(F)(F)F ZINC000291833978 499081713 /nfs/dbraw/zinc/08/17/13/499081713.db2.gz OIIYGFLPJMPWTF-OLZOCXBDSA-N 1 1 359.348 3.247 20 5 FGBDMO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCCC[C@H]1C(F)(F)F ZINC000291833978 499081716 /nfs/dbraw/zinc/08/17/16/499081716.db2.gz OIIYGFLPJMPWTF-OLZOCXBDSA-N 1 1 359.348 3.247 20 5 FGBDMO Cc1cc(C(=O)N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc([N+](=O)[O-])c1 ZINC000372519998 499137754 /nfs/dbraw/zinc/13/77/54/499137754.db2.gz DJXSZGDSNMCQIV-LPHOPBHVSA-N 1 1 368.437 3.063 20 5 FGBDMO Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000372596920 499151398 /nfs/dbraw/zinc/15/13/98/499151398.db2.gz ZSGDFMNXFPQOEA-HKUYNNGSSA-N 1 1 368.437 3.063 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC2(CCC[N@H+]2C)CC1 ZINC000372798629 499176622 /nfs/dbraw/zinc/17/66/22/499176622.db2.gz FPUBYLDDSMJMNB-QGZVFWFLSA-N 1 1 359.470 3.250 20 5 FGBDMO CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000370236880 499200532 /nfs/dbraw/zinc/20/05/32/499200532.db2.gz RVXSDEWVVLVMIH-HZPDHXFCSA-N 1 1 372.425 3.101 20 5 FGBDMO CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000370236880 499200534 /nfs/dbraw/zinc/20/05/34/499200534.db2.gz RVXSDEWVVLVMIH-HZPDHXFCSA-N 1 1 372.425 3.101 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(c2noc(C(F)F)n2)CC1 ZINC000370631291 499237537 /nfs/dbraw/zinc/23/75/37/499237537.db2.gz NGIOANHMTHZRNU-UHFFFAOYSA-N 1 1 368.340 3.304 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc([C@@H]3C[N@@H+](C4CCCCC4)CCO3)no2)s1 ZINC000367927649 499246179 /nfs/dbraw/zinc/24/61/79/499246179.db2.gz JIBPEHJRTLVHJN-LBPRGKRZSA-N 1 1 364.427 3.412 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc([C@@H]3C[N@H+](C4CCCCC4)CCO3)no2)s1 ZINC000367927649 499246180 /nfs/dbraw/zinc/24/61/80/499246180.db2.gz JIBPEHJRTLVHJN-LBPRGKRZSA-N 1 1 364.427 3.412 20 5 FGBDMO Cn1ccnc1[C@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000368135682 499268275 /nfs/dbraw/zinc/26/82/75/499268275.db2.gz RMXZHUAQGFYVLR-AWEZNQCLSA-N 1 1 369.450 3.441 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)ccc1Br ZINC000371331321 499311141 /nfs/dbraw/zinc/31/11/41/499311141.db2.gz GSJIYXKJXZFXCS-CHWSQXEVSA-N 1 1 355.232 3.216 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000368593573 499311716 /nfs/dbraw/zinc/31/17/16/499311716.db2.gz UAERHHSYJGAGAK-HKUYNNGSSA-N 1 1 360.502 3.065 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000368593573 499311718 /nfs/dbraw/zinc/31/17/18/499311718.db2.gz UAERHHSYJGAGAK-HKUYNNGSSA-N 1 1 360.502 3.065 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@@H](c4nnc[nH]4)C3)o2)cc1 ZINC000371335918 499312536 /nfs/dbraw/zinc/31/25/36/499312536.db2.gz MNBVVWNJSFUQCM-CQSZACIVSA-N 1 1 353.382 3.353 20 5 FGBDMO Cc1c([C@H]2CCC[N@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cnn1C ZINC000371377532 499317339 /nfs/dbraw/zinc/31/73/39/499317339.db2.gz DBAHYROFSFLOQG-GOSISDBHSA-N 1 1 371.441 3.111 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](Cc3ccncc3)C2)cccc1[N+](=O)[O-] ZINC000368765702 499329842 /nfs/dbraw/zinc/32/98/42/499329842.db2.gz QPGHMSBRELCJEZ-RDJZCZTQSA-N 1 1 368.437 3.190 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000371488138 499333270 /nfs/dbraw/zinc/33/32/70/499333270.db2.gz JDOIJTYYIOYOFS-CZUORRHYSA-N 1 1 363.483 3.262 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000371585847 499344589 /nfs/dbraw/zinc/34/45/89/499344589.db2.gz VTTOYDYPKDIDBO-AEFFLSMTSA-N 1 1 370.453 3.499 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2nc([C@H]3C[N@@H+](C4CCCCC4)CCO3)no2)c1 ZINC000371602046 499346521 /nfs/dbraw/zinc/34/65/21/499346521.db2.gz NSOANJHYWAJCQB-MRXNPFEDSA-N 1 1 358.398 3.351 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2nc([C@H]3C[N@H+](C4CCCCC4)CCO3)no2)c1 ZINC000371602046 499346523 /nfs/dbraw/zinc/34/65/23/499346523.db2.gz NSOANJHYWAJCQB-MRXNPFEDSA-N 1 1 358.398 3.351 20 5 FGBDMO CCc1nc(CN2CCC[C@H]([N@@H+](C)[C@H](C)c3cccc([N+](=O)[O-])c3)C2)no1 ZINC000369238162 499381748 /nfs/dbraw/zinc/38/17/48/499381748.db2.gz RIPDHLJJTTWCRC-PBHICJAKSA-N 1 1 373.457 3.198 20 5 FGBDMO COC[C@@H]1CCCC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000372088636 499397942 /nfs/dbraw/zinc/39/79/42/499397942.db2.gz OALLJRFTNLRKOL-CHWSQXEVSA-N 1 1 369.849 3.324 20 5 FGBDMO COC[C@@H]1CCCC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000372088636 499397944 /nfs/dbraw/zinc/39/79/44/499397944.db2.gz OALLJRFTNLRKOL-CHWSQXEVSA-N 1 1 369.849 3.324 20 5 FGBDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000576386271 506145349 /nfs/dbraw/zinc/14/53/49/506145349.db2.gz ISPNCMTZICLFFY-CRAIPNDOSA-N 1 1 371.437 3.150 20 5 FGBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](Cc3cc(-c4ccccc4)no3)C2)c1 ZINC000372287194 499416773 /nfs/dbraw/zinc/41/67/73/499416773.db2.gz FBCQGJVSHDUHAI-OAHLLOKOSA-N 1 1 353.382 3.283 20 5 FGBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3cc(-c4ccccc4)no3)C2)c1 ZINC000372287194 499416775 /nfs/dbraw/zinc/41/67/75/499416775.db2.gz FBCQGJVSHDUHAI-OAHLLOKOSA-N 1 1 353.382 3.283 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](OCC4CC4)C3)o2)cc1 ZINC000372293151 499417450 /nfs/dbraw/zinc/41/74/50/499417450.db2.gz CDNMRUQEEAGZBT-MRXNPFEDSA-N 1 1 358.398 3.036 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@@H](OCC4CC4)C3)o2)cc1 ZINC000372293151 499417452 /nfs/dbraw/zinc/41/74/52/499417452.db2.gz CDNMRUQEEAGZBT-MRXNPFEDSA-N 1 1 358.398 3.036 20 5 FGBDMO Cc1c(C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2cccs2)cccc1[N+](=O)[O-] ZINC000369568519 499419218 /nfs/dbraw/zinc/41/92/18/499419218.db2.gz LFKCXXXOZCKJCE-CXAGYDPISA-N 1 1 359.451 3.388 20 5 FGBDMO Cc1ncc(C[N@H+]2CC[C@H](Nc3ncc([N+](=O)[O-])cc3C)[C@@H](C)C2)s1 ZINC000369591770 499423916 /nfs/dbraw/zinc/42/39/16/499423916.db2.gz NYGXBRZJVNIDKX-LRDDRELGSA-N 1 1 361.471 3.386 20 5 FGBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3coc(-c4ccc(F)cc4)n3)CC2)n1 ZINC000369693385 499437284 /nfs/dbraw/zinc/43/72/84/499437284.db2.gz NSTQXYBVPROPFM-UHFFFAOYSA-N 1 1 371.372 3.423 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](O)c3ccccc3C2)cccc1[N+](=O)[O-] ZINC000373247242 499459681 /nfs/dbraw/zinc/45/96/81/499459681.db2.gz ZFPWCBJYDZEZKC-LIRRHRJNSA-N 1 1 369.421 3.170 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H](O)c3ccccc3C2)cccc1[N+](=O)[O-] ZINC000373247242 499459682 /nfs/dbraw/zinc/45/96/82/499459682.db2.gz ZFPWCBJYDZEZKC-LIRRHRJNSA-N 1 1 369.421 3.170 20 5 FGBDMO COc1cc(CN2CCC([N@H+]3CCC[C@H]3C)CC2)c([N+](=O)[O-])cc1F ZINC000373341463 499464273 /nfs/dbraw/zinc/46/42/73/499464273.db2.gz YBUBDJRQIWIOKL-CYBMUJFWSA-N 1 1 351.422 3.191 20 5 FGBDMO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000373459039 499471113 /nfs/dbraw/zinc/47/11/13/499471113.db2.gz JTPGVIKUXZFLQX-HBGVWJBISA-N 1 1 369.465 3.128 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C1CCN(Cc2ccncc2)CC1 ZINC000373786796 499487899 /nfs/dbraw/zinc/48/78/99/499487899.db2.gz HBNXPTUDTMLINA-UHFFFAOYSA-N 1 1 370.453 3.095 20 5 FGBDMO O=C(Nc1cccnc1)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000378189186 499488787 /nfs/dbraw/zinc/48/87/87/499488787.db2.gz GYUCTTJUGDRNOZ-UHFFFAOYSA-N 1 1 374.828 3.494 20 5 FGBDMO C[C@@H]1[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCC12CCOCC2 ZINC000375236930 499498108 /nfs/dbraw/zinc/49/81/08/499498108.db2.gz KUXWBIBPBJVUGV-HNNXBMFYSA-N 1 1 370.453 3.386 20 5 FGBDMO CC[C@@H](NC(=O)NCc1[nH+]c(C)n2c1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000375821826 499559128 /nfs/dbraw/zinc/55/91/28/499559128.db2.gz CURWTBLFBWSNML-MRXNPFEDSA-N 1 1 371.441 3.387 20 5 FGBDMO CN1CCC[C@H]1[C@@H]1CCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000376226754 499592637 /nfs/dbraw/zinc/59/26/37/499592637.db2.gz ONDPBGQCWDVDIW-ROUUACIJSA-N 1 1 370.453 3.351 20 5 FGBDMO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000376226754 499592638 /nfs/dbraw/zinc/59/26/38/499592638.db2.gz ONDPBGQCWDVDIW-ROUUACIJSA-N 1 1 370.453 3.351 20 5 FGBDMO C[N@H+]1CCC[C@H]1[C@@H]1CCCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000376226754 499592639 /nfs/dbraw/zinc/59/26/39/499592639.db2.gz ONDPBGQCWDVDIW-ROUUACIJSA-N 1 1 370.453 3.351 20 5 FGBDMO C[C@@H](c1nccn1-c1ccccc1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000376508460 499613948 /nfs/dbraw/zinc/61/39/48/499613948.db2.gz UONGNKLMSVSUBZ-HNNXBMFYSA-N 1 1 366.425 3.375 20 5 FGBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1[nH+]c(C)n2c1CCCC2 ZINC000376955251 499649270 /nfs/dbraw/zinc/64/92/70/499649270.db2.gz NTFWMPJAVSMVLN-INIZCTEOSA-N 1 1 370.453 3.321 20 5 FGBDMO O=C(CC[N@H+](Cc1ccco1)C[C@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411187016 499708441 /nfs/dbraw/zinc/70/84/41/499708441.db2.gz RTZYNYFVRDUHDB-GOSISDBHSA-N 1 1 373.409 3.198 20 5 FGBDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)CO1 ZINC000411296728 499722890 /nfs/dbraw/zinc/72/28/90/499722890.db2.gz KZFLDUSGZGXKHX-BEFAXECRSA-N 1 1 369.421 3.385 20 5 FGBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)CO1 ZINC000411296728 499722892 /nfs/dbraw/zinc/72/28/92/499722892.db2.gz KZFLDUSGZGXKHX-BEFAXECRSA-N 1 1 369.421 3.385 20 5 FGBDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411423122 499738256 /nfs/dbraw/zinc/73/82/56/499738256.db2.gz MFWBTMRYMLUYCJ-MRXNPFEDSA-N 1 1 357.414 3.100 20 5 FGBDMO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000377820683 499738612 /nfs/dbraw/zinc/73/86/12/499738612.db2.gz GXEXDSKUUINCTC-SCRDCRAPSA-N 1 1 364.833 3.196 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000411498361 499747988 /nfs/dbraw/zinc/74/79/88/499747988.db2.gz BEHKNPHFBLBRRB-YSVLISHTSA-N 1 1 361.442 3.443 20 5 FGBDMO COc1ccc([C@@H]2CCNC[C@H]2[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000414894140 499842404 /nfs/dbraw/zinc/84/24/04/499842404.db2.gz YYQVIQOZNFNIJS-AHJVTXKRSA-N 1 1 367.449 3.352 20 5 FGBDMO Cc1ccc(C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000412691386 499876090 /nfs/dbraw/zinc/87/60/90/499876090.db2.gz BVARCWBPHAKBRC-INIZCTEOSA-N 1 1 353.422 3.250 20 5 FGBDMO Cc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000412691386 499876091 /nfs/dbraw/zinc/87/60/91/499876091.db2.gz BVARCWBPHAKBRC-INIZCTEOSA-N 1 1 353.422 3.250 20 5 FGBDMO Cc1cc(C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000412700807 499877558 /nfs/dbraw/zinc/87/75/58/499877558.db2.gz RJCXIXHLBCSJIO-MRXNPFEDSA-N 1 1 353.422 3.250 20 5 FGBDMO Cc1cc(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000412700807 499877559 /nfs/dbraw/zinc/87/75/59/499877559.db2.gz RJCXIXHLBCSJIO-MRXNPFEDSA-N 1 1 353.422 3.250 20 5 FGBDMO O=[N+]([O-])c1cnc(NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c(F)c1 ZINC000413062203 499908855 /nfs/dbraw/zinc/90/88/55/499908855.db2.gz ASNMWOXWRGWQQK-UHFFFAOYSA-N 1 1 366.343 3.484 20 5 FGBDMO Cn1cc[nH+]c1CC1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413137105 499918369 /nfs/dbraw/zinc/91/83/69/499918369.db2.gz YQDZMCXURKCUBG-UHFFFAOYSA-N 1 1 351.410 3.336 20 5 FGBDMO C[C@@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)CC[N@H+]1Cc1ccccc1 ZINC000413535640 499983446 /nfs/dbraw/zinc/98/34/46/499983446.db2.gz TZMOPYURLPVFGW-CYBMUJFWSA-N 1 1 369.450 3.310 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000429029445 499988013 /nfs/dbraw/zinc/98/80/13/499988013.db2.gz OHZSRRVERHGMHN-CQSZACIVSA-N 1 1 369.190 3.320 20 5 FGBDMO COc1ccccc1N1CC[C@@H]([NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])C1=O ZINC000429264019 500037255 /nfs/dbraw/zinc/03/72/55/500037255.db2.gz NQSUXOHFBOKVHE-OAHLLOKOSA-N 1 1 369.421 3.234 20 5 FGBDMO C[C@@]1(CCCO)CCC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425419242 500099726 /nfs/dbraw/zinc/09/97/26/500099726.db2.gz KOVOYSQIGZDNCD-HNNXBMFYSA-N 1 1 357.248 3.484 20 5 FGBDMO C[C@@]1(CCCO)CCC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425419242 500099728 /nfs/dbraw/zinc/09/97/28/500099728.db2.gz KOVOYSQIGZDNCD-HNNXBMFYSA-N 1 1 357.248 3.484 20 5 FGBDMO CC(C)(C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000429912655 500165911 /nfs/dbraw/zinc/16/59/11/500165911.db2.gz XPIFAQSECKCZQG-KRWDZBQOSA-N 1 1 367.449 3.263 20 5 FGBDMO CC[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1C)CCC(F)(F)F ZINC000421894691 500171290 /nfs/dbraw/zinc/17/12/90/500171290.db2.gz NWBULVCGHWVAKW-UHFFFAOYSA-N 1 1 361.364 3.216 20 5 FGBDMO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000430084998 500190288 /nfs/dbraw/zinc/19/02/88/500190288.db2.gz LMXVEUDGZDXNGL-RVFJIUOTSA-N 1 1 366.417 3.425 20 5 FGBDMO COc1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C2CC2)ccc1O ZINC000430225791 500211829 /nfs/dbraw/zinc/21/18/29/500211829.db2.gz YXPJETHCQOPYQR-UHFFFAOYSA-N 1 1 358.394 3.482 20 5 FGBDMO COc1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C2CC2)ccc1O ZINC000430225791 500211832 /nfs/dbraw/zinc/21/18/32/500211832.db2.gz YXPJETHCQOPYQR-UHFFFAOYSA-N 1 1 358.394 3.482 20 5 FGBDMO Cc1nc(N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)ccc1[N+](=O)[O-] ZINC000582318478 506185546 /nfs/dbraw/zinc/18/55/46/506185546.db2.gz VCUPMXXSOITEEQ-HXUWFJFHSA-N 1 1 352.438 3.401 20 5 FGBDMO CC(C)(C)[N@H+]1C[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](C(F)(F)F)C1 ZINC000431267947 500356979 /nfs/dbraw/zinc/35/69/79/500356979.db2.gz ZZBVBYVIWKECRM-CHWSQXEVSA-N 1 1 359.348 3.442 20 5 FGBDMO CCc1ccccc1[C@@H]([NH3+])CN[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423496893 500379079 /nfs/dbraw/zinc/37/90/79/500379079.db2.gz FSQVOFYRNSXFMT-LIRRHRJNSA-N 1 1 370.453 3.164 20 5 FGBDMO CC[NH+](CC)[C@@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccsc1 ZINC000427907390 500444354 /nfs/dbraw/zinc/44/43/54/500444354.db2.gz KWDDFYQVKPATMK-INIZCTEOSA-N 1 1 363.439 3.175 20 5 FGBDMO CC[NH+](CC)[C@@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000427912721 500444823 /nfs/dbraw/zinc/44/48/23/500444823.db2.gz MKRVLFUJHHUSDN-SFHVURJKSA-N 1 1 357.410 3.113 20 5 FGBDMO C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)[C@@H](C(N)=O)C1 ZINC000428457694 500512817 /nfs/dbraw/zinc/51/28/17/500512817.db2.gz MYVZLAJFPMIIBG-BLLLJJGKSA-N 1 1 359.451 3.409 20 5 FGBDMO Cc1[nH+]cn(-c2ccc(NC(=O)c3c(N)cccc3[N+](=O)[O-])cc2)c1C ZINC000428579309 500529571 /nfs/dbraw/zinc/52/95/71/500529571.db2.gz CVBIBXOQEUVQDP-UHFFFAOYSA-N 1 1 351.366 3.232 20 5 FGBDMO C[C@]12CC[N@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@H]1C2(F)F ZINC000428732795 500550277 /nfs/dbraw/zinc/55/02/77/500550277.db2.gz BWVBJYULXFJVOH-DOMZBBRYSA-N 1 1 350.325 3.122 20 5 FGBDMO C[C@]12CC[N@@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@H]1C2(F)F ZINC000428732795 500550279 /nfs/dbraw/zinc/55/02/79/500550279.db2.gz BWVBJYULXFJVOH-DOMZBBRYSA-N 1 1 350.325 3.122 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@H](CCO)CC3)o2)c1 ZINC000421011297 500552819 /nfs/dbraw/zinc/55/28/19/500552819.db2.gz GZJDIKKGWSVMAA-HNNXBMFYSA-N 1 1 359.426 3.277 20 5 FGBDMO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC(OC(C)(C)C)C1 ZINC000421015001 500553779 /nfs/dbraw/zinc/55/37/79/500553779.db2.gz SQCUMKSLBBWHQS-UHFFFAOYSA-N 1 1 369.849 3.465 20 5 FGBDMO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC(OC(C)(C)C)C1 ZINC000421015001 500553781 /nfs/dbraw/zinc/55/37/81/500553781.db2.gz SQCUMKSLBBWHQS-UHFFFAOYSA-N 1 1 369.849 3.465 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3nc4ccc(F)cc4s3)C2)nc1 ZINC000432748226 500556528 /nfs/dbraw/zinc/55/65/28/500556528.db2.gz NVLGGOIPRVBLTA-LBPRGKRZSA-N 1 1 373.413 3.425 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3nc4ccc(F)cc4s3)C2)nc1 ZINC000432748226 500556529 /nfs/dbraw/zinc/55/65/29/500556529.db2.gz NVLGGOIPRVBLTA-LBPRGKRZSA-N 1 1 373.413 3.425 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437181321 500611434 /nfs/dbraw/zinc/61/14/34/500611434.db2.gz FULAJQADBHXPAN-NSHDSACASA-N 1 1 359.348 3.218 20 5 FGBDMO C[C@@H]1C[N@H+](CCCN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000433093918 500624236 /nfs/dbraw/zinc/62/42/36/500624236.db2.gz WNFKIXLOJLTODW-BEFAXECRSA-N 1 1 361.486 3.408 20 5 FGBDMO C[C@@H]1C[N@@H+](CCCN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000433093918 500624240 /nfs/dbraw/zinc/62/42/40/500624240.db2.gz WNFKIXLOJLTODW-BEFAXECRSA-N 1 1 361.486 3.408 20 5 FGBDMO C[C@H]1C[N@H+](CCCN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000433093925 500624663 /nfs/dbraw/zinc/62/46/63/500624663.db2.gz WNFKIXLOJLTODW-KXBFYZLASA-N 1 1 361.486 3.408 20 5 FGBDMO C[C@H]1C[N@@H+](CCCN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000433093925 500624665 /nfs/dbraw/zinc/62/46/65/500624665.db2.gz WNFKIXLOJLTODW-KXBFYZLASA-N 1 1 361.486 3.408 20 5 FGBDMO CC(C)[C@H](C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)N1CCN(C)CC1 ZINC000433151642 500636179 /nfs/dbraw/zinc/63/61/79/500636179.db2.gz IYTLYFBQJYEWID-UXHICEINSA-N 1 1 374.529 3.179 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000437513821 500653314 /nfs/dbraw/zinc/65/33/14/500653314.db2.gz IFYDGKJSJSEWIM-IBGZPJMESA-N 1 1 356.422 3.437 20 5 FGBDMO CC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@@H]1CCNC1=O ZINC000442964971 500655027 /nfs/dbraw/zinc/65/50/27/500655027.db2.gz PBCZHXRKYKEJPB-OAHLLOKOSA-N 1 1 363.801 3.219 20 5 FGBDMO CC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@@H]1CCNC1=O ZINC000442964971 500655028 /nfs/dbraw/zinc/65/50/28/500655028.db2.gz PBCZHXRKYKEJPB-OAHLLOKOSA-N 1 1 363.801 3.219 20 5 FGBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000447816142 500668872 /nfs/dbraw/zinc/66/88/72/500668872.db2.gz IEHNNCGKPJOTQJ-SFHVURJKSA-N 1 1 374.485 3.363 20 5 FGBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437781876 500695258 /nfs/dbraw/zinc/69/52/58/500695258.db2.gz YQMSADZGKCFADQ-LJQANCHMSA-N 1 1 374.485 3.234 20 5 FGBDMO COc1c(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)cccc1[N+](=O)[O-] ZINC000437871788 500709941 /nfs/dbraw/zinc/70/99/41/500709941.db2.gz YAIHJWZCNQCGCZ-OAHLLOKOSA-N 1 1 361.442 3.130 20 5 FGBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C1 ZINC000433771092 500741629 /nfs/dbraw/zinc/74/16/29/500741629.db2.gz MMVJDEBTNITZLQ-ZDUSSCGKSA-N 1 1 365.478 3.072 20 5 FGBDMO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000433922382 500764993 /nfs/dbraw/zinc/76/49/93/500764993.db2.gz WCXWELQKFOGAOZ-IBGZPJMESA-N 1 1 374.485 3.234 20 5 FGBDMO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000433922383 500765041 /nfs/dbraw/zinc/76/50/41/500765041.db2.gz WCXWELQKFOGAOZ-LJQANCHMSA-N 1 1 374.485 3.234 20 5 FGBDMO C[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@H+]1CC(C)(C)O ZINC000438329917 500771017 /nfs/dbraw/zinc/77/10/17/500771017.db2.gz HUOBEAQXSZQVBS-HNNXBMFYSA-N 1 1 373.453 3.132 20 5 FGBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000448784590 500833286 /nfs/dbraw/zinc/83/32/86/500833286.db2.gz XDSUQHRZBQPOIP-VXGBXAGGSA-N 1 1 373.375 3.464 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCSC(C)(C)CC1 ZINC000434680307 500878653 /nfs/dbraw/zinc/87/86/53/500878653.db2.gz VAFAZFAHPCLOJA-UHFFFAOYSA-N 1 1 367.471 3.150 20 5 FGBDMO C[C@H]1C[C@H](c2ccccc2)CC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000439315408 500884225 /nfs/dbraw/zinc/88/42/25/500884225.db2.gz BIRXCLZPZOXAIN-GOEBONIOSA-N 1 1 353.422 3.462 20 5 FGBDMO Cc1ccc([C@@]2(C)CC[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000434743819 500887278 /nfs/dbraw/zinc/88/72/78/500887278.db2.gz BYXUXQLNGIQNPS-CTNGQTDRSA-N 1 1 370.449 3.307 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2cccc3ccoc32)CC1 ZINC000449027143 500903165 /nfs/dbraw/zinc/90/31/65/500903165.db2.gz HRNLOHXTZGLPTN-UHFFFAOYSA-N 1 1 365.389 3.299 20 5 FGBDMO CC(C)[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H](O)COc1ccccc1 ZINC000444812584 500906191 /nfs/dbraw/zinc/90/61/91/500906191.db2.gz LKSLVEFRZGUUTR-IBGZPJMESA-N 1 1 358.438 3.288 20 5 FGBDMO CCOc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)cc1[N+](=O)[O-] ZINC000439686934 500926465 /nfs/dbraw/zinc/92/64/65/500926465.db2.gz CYAIDMZKPRPQEH-INIZCTEOSA-N 1 1 363.458 3.234 20 5 FGBDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000439692102 500926892 /nfs/dbraw/zinc/92/68/92/500926892.db2.gz ONVMPOLCCCGLAG-SFHVURJKSA-N 1 1 361.486 3.499 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@H](O)C[C@@H]3[C@@H]3CCCOC3)o2)cc1 ZINC000449431945 501001929 /nfs/dbraw/zinc/00/19/29/501001929.db2.gz FDXSLRAYTIEGQG-SZVBFZGTSA-N 1 1 372.421 3.217 20 5 FGBDMO Cc1cccc(C)c1OCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440484891 501013797 /nfs/dbraw/zinc/01/37/97/501013797.db2.gz IPMOLLFFWQFINH-MRXNPFEDSA-N 1 1 356.426 3.172 20 5 FGBDMO Cc1cccnc1CCC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000449484066 501014243 /nfs/dbraw/zinc/01/42/43/501014243.db2.gz LISFFECSHNQHRM-IBGZPJMESA-N 1 1 365.437 3.344 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]C[C@H]1CCCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000449499206 501018867 /nfs/dbraw/zinc/01/88/67/501018867.db2.gz TTXIKPONQJNOMU-HIFRSBDPSA-N 1 1 350.369 3.443 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)c1 ZINC000449553610 501031967 /nfs/dbraw/zinc/03/19/67/501031967.db2.gz MEWGRHXBNNJEHX-LALPHHSUSA-N 1 1 356.369 3.179 20 5 FGBDMO C[N@H+]1CCN(CCNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1(C)C ZINC000440654365 501035180 /nfs/dbraw/zinc/03/51/80/501035180.db2.gz SAGQBWHNFORCKU-UHFFFAOYSA-N 1 1 360.380 3.052 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000440970084 501069385 /nfs/dbraw/zinc/06/93/85/501069385.db2.gz RFNVSJRDSTWXQU-IAGOWNOFSA-N 1 1 361.442 3.264 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@]3(CCSC3)C2)c([N+](=O)[O-])cc1OC ZINC000449731367 501070638 /nfs/dbraw/zinc/07/06/38/501070638.db2.gz IJTJJSWADWABKR-KRWDZBQOSA-N 1 1 352.456 3.331 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@H](C)[C@H]1Cc2ccccc2O1 ZINC000441041360 501079288 /nfs/dbraw/zinc/07/92/88/501079288.db2.gz CECCUYYNXJLCNC-AUUYWEPGSA-N 1 1 369.421 3.166 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@H](C)[C@H]1Cc2ccccc2O1 ZINC000441041360 501079289 /nfs/dbraw/zinc/07/92/89/501079289.db2.gz CECCUYYNXJLCNC-AUUYWEPGSA-N 1 1 369.421 3.166 20 5 FGBDMO C[N@@H+](CCC1CC1)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000441222613 501105614 /nfs/dbraw/zinc/10/56/14/501105614.db2.gz BWOBJJRSULZGIH-UHFFFAOYSA-N 1 1 360.439 3.389 20 5 FGBDMO COc1ccc([C@H]2CC[N@@H+](CCOc3ccc(OC)cc3[N+](=O)[O-])C2)cc1 ZINC000441531734 501152300 /nfs/dbraw/zinc/15/23/00/501152300.db2.gz DZIAIPNWJYLERW-INIZCTEOSA-N 1 1 372.421 3.480 20 5 FGBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000446849077 501173371 /nfs/dbraw/zinc/17/33/71/501173371.db2.gz LKXNBWRTDZJVIO-GDBMZVCRSA-N 1 1 365.437 3.396 20 5 FGBDMO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000446849077 501173373 /nfs/dbraw/zinc/17/33/73/501173373.db2.gz LKXNBWRTDZJVIO-GDBMZVCRSA-N 1 1 365.437 3.396 20 5 FGBDMO O=[N+]([O-])c1cccc2c1ccnc2N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000450305245 501230227 /nfs/dbraw/zinc/23/02/27/501230227.db2.gz VNCZYVNLWXZCJZ-UHFFFAOYSA-N 1 1 364.405 3.171 20 5 FGBDMO CC[NH+]1CCN(CC(C)(C)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000450923607 501230398 /nfs/dbraw/zinc/23/03/98/501230398.db2.gz REUCSKDBVYYNBP-UHFFFAOYSA-N 1 1 374.407 3.442 20 5 FGBDMO COc1ccc(NC(=O)CC[N@@H+](C)CCc2ccccc2C)c([N+](=O)[O-])c1 ZINC000451162849 501249229 /nfs/dbraw/zinc/24/92/29/501249229.db2.gz ARNMFNRDHCSNOI-UHFFFAOYSA-N 1 1 371.437 3.415 20 5 FGBDMO CC(C)(C[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1)C(N)=O ZINC000451220798 501253183 /nfs/dbraw/zinc/25/31/83/501253183.db2.gz WLKKOSYABKXUQU-GFCCVEGCSA-N 1 1 353.850 3.362 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000453251927 501299467 /nfs/dbraw/zinc/29/94/67/501299467.db2.gz GJTHDMJLKPHLSJ-TZMCWYRMSA-N 1 1 354.366 3.473 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCc2ccccc2CC1 ZINC000451711842 501357293 /nfs/dbraw/zinc/35/72/93/501357293.db2.gz PKMSIEXKFAALKR-UHFFFAOYSA-N 1 1 353.422 3.333 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCc2ccccc2CC1 ZINC000451711842 501357296 /nfs/dbraw/zinc/35/72/96/501357296.db2.gz PKMSIEXKFAALKR-UHFFFAOYSA-N 1 1 353.422 3.333 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCc2ccccc2CC1 ZINC000451711762 501357401 /nfs/dbraw/zinc/35/74/01/501357401.db2.gz OVLXKWAHSLEWQI-UHFFFAOYSA-N 1 1 369.421 3.033 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCc2ccccc2CC1 ZINC000451711762 501357404 /nfs/dbraw/zinc/35/74/04/501357404.db2.gz OVLXKWAHSLEWQI-UHFFFAOYSA-N 1 1 369.421 3.033 20 5 FGBDMO CC[C@@H]1C[N@@H+](CC)CCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000451734998 501363214 /nfs/dbraw/zinc/36/32/14/501363214.db2.gz XSGULABOVYSPLD-MRXNPFEDSA-N 1 1 358.442 3.208 20 5 FGBDMO CC[C@@H]1CN(CC)CC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000451734998 501363217 /nfs/dbraw/zinc/36/32/17/501363217.db2.gz XSGULABOVYSPLD-MRXNPFEDSA-N 1 1 358.442 3.208 20 5 FGBDMO CC[C@@H]1CN(CC)CC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000451734998 501363218 /nfs/dbraw/zinc/36/32/18/501363218.db2.gz XSGULABOVYSPLD-MRXNPFEDSA-N 1 1 358.442 3.208 20 5 FGBDMO C[N@H+]1CCC[C@@H](CCNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000458177816 501385444 /nfs/dbraw/zinc/38/54/44/501385444.db2.gz VTYCLUWHCOZWIT-ZDUSSCGKSA-N 1 1 374.466 3.180 20 5 FGBDMO COc1ccc(C[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H](C)C2CC2)c(OC)c1 ZINC000582499468 506259074 /nfs/dbraw/zinc/25/90/74/506259074.db2.gz BXSWINLHHVQJMM-CQSZACIVSA-N 1 1 374.441 3.109 20 5 FGBDMO C[C@H](NC(=O)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000458882602 501552019 /nfs/dbraw/zinc/55/20/19/501552019.db2.gz BPQLGXLDPOPBJT-YRBFXIGRSA-N 1 1 360.458 3.028 20 5 FGBDMO C[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000458891213 501554016 /nfs/dbraw/zinc/55/40/16/501554016.db2.gz RHMVJSORLSHTOW-KXBFYZLASA-N 1 1 368.437 3.354 20 5 FGBDMO C[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000458891213 501554018 /nfs/dbraw/zinc/55/40/18/501554018.db2.gz RHMVJSORLSHTOW-KXBFYZLASA-N 1 1 368.437 3.354 20 5 FGBDMO COC(=O)c1c(Cl)c(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000596109583 506263396 /nfs/dbraw/zinc/26/33/96/506263396.db2.gz YIBPWPGFGFWHOI-SNVBAGLBSA-N 1 1 364.789 3.142 20 5 FGBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000457167180 501660822 /nfs/dbraw/zinc/66/08/22/501660822.db2.gz AOBNWOIEFGJEHZ-LBPRGKRZSA-N 1 1 369.849 3.006 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1cnn(C)c1)CC(C)C ZINC000459575288 501679457 /nfs/dbraw/zinc/67/94/57/501679457.db2.gz BTZFIEWJNZNBJF-UHFFFAOYSA-N 1 1 373.457 3.124 20 5 FGBDMO CCNC(=O)C1C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000459604841 501685344 /nfs/dbraw/zinc/68/53/44/501685344.db2.gz LHGMQQGNUBTBID-UHFFFAOYSA-N 1 1 363.801 3.076 20 5 FGBDMO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCC[C@@H]1c1ccccc1 ZINC000459673654 501696967 /nfs/dbraw/zinc/69/69/67/501696967.db2.gz JJMPBICTFVBSBK-MSOLQXFVSA-N 1 1 353.422 3.462 20 5 FGBDMO CN(C)c1cc[nH+]c(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000463483652 501737792 /nfs/dbraw/zinc/73/77/92/501737792.db2.gz OFRUNMTZPHUEHQ-UHFFFAOYSA-N 1 1 356.411 3.186 20 5 FGBDMO CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460313199 501789606 /nfs/dbraw/zinc/78/96/06/501789606.db2.gz FZZHWIQDYMEEOX-YOEHRIQHSA-N 1 1 372.473 3.040 20 5 FGBDMO CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460318741 501790220 /nfs/dbraw/zinc/79/02/20/501790220.db2.gz RYPWQWCAFMHPDM-PBHICJAKSA-N 1 1 372.473 3.182 20 5 FGBDMO CN(C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474329648 501793091 /nfs/dbraw/zinc/79/30/91/501793091.db2.gz MINHVCPDQFOMAI-GOSISDBHSA-N 1 1 354.410 3.333 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)nc1-c1ccc(F)cc1 ZINC000485400015 501809356 /nfs/dbraw/zinc/80/93/56/501809356.db2.gz QCEXARSPRJEORY-CVEARBPZSA-N 1 1 356.401 3.257 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC000460667696 501890583 /nfs/dbraw/zinc/89/05/83/501890583.db2.gz IDCQMGNZFWZDQV-UHFFFAOYSA-N 1 1 353.422 3.251 20 5 FGBDMO Cc1ccc([C@H]2CC[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)c(C)c1 ZINC000471027253 501895852 /nfs/dbraw/zinc/89/58/52/501895852.db2.gz DRMOHTAROXLNNV-INIZCTEOSA-N 1 1 353.422 3.300 20 5 FGBDMO O=C(Nc1cccc([N+](=O)[O-])c1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471139624 501932233 /nfs/dbraw/zinc/93/22/33/501932233.db2.gz JEVQSWRCVTURSN-CALCHBBNSA-N 1 1 366.421 3.191 20 5 FGBDMO Cc1cc(C)c2c(c1)C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000485885050 501976765 /nfs/dbraw/zinc/97/67/65/501976765.db2.gz UGRRZXGEOFBGBI-GOSISDBHSA-N 1 1 356.422 3.010 20 5 FGBDMO CC(C)c1ccc(C[C@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)cc1 ZINC000460978655 501978859 /nfs/dbraw/zinc/97/88/59/501978859.db2.gz JNFQUEPZZNFZDO-GOSISDBHSA-N 1 1 369.465 3.445 20 5 FGBDMO CCc1ccc(C(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000471297511 501982910 /nfs/dbraw/zinc/98/29/10/501982910.db2.gz SGLZXQIHOBIGFL-UHFFFAOYSA-N 1 1 367.449 3.335 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)ccc1NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000471527767 502055428 /nfs/dbraw/zinc/05/54/28/502055428.db2.gz JQXSSMUVZMICCR-GOSISDBHSA-N 1 1 361.829 3.297 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000461263912 502056104 /nfs/dbraw/zinc/05/61/04/502056104.db2.gz KLBKQIGYQPGLNP-LSDHHAIUSA-N 1 1 365.499 3.408 20 5 FGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000602764604 506291204 /nfs/dbraw/zinc/29/12/04/506291204.db2.gz DXGLOWIEGYLDQW-PKOBYXMFSA-N 1 1 358.442 3.199 20 5 FGBDMO C[C@@H]1C[C@H](CCNc2cc[nH]c(=O)c2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000596173645 506292558 /nfs/dbraw/zinc/29/25/58/506292558.db2.gz ZOVHUZJPJSZFPM-ZBFHGGJFSA-N 1 1 356.426 3.408 20 5 FGBDMO CO[C@@]1(C)C[C@H]([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000464819440 502105392 /nfs/dbraw/zinc/10/53/92/502105392.db2.gz BFRWCKAYVUCKKO-YOEHRIQHSA-N 1 1 369.849 3.322 20 5 FGBDMO CO[C@@]1(C)C[C@H]([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000464819440 502105395 /nfs/dbraw/zinc/10/53/95/502105395.db2.gz BFRWCKAYVUCKKO-YOEHRIQHSA-N 1 1 369.849 3.322 20 5 FGBDMO Cc1cc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000475314437 502130983 /nfs/dbraw/zinc/13/09/83/502130983.db2.gz UHKSPNXLBUTQLI-SFHVURJKSA-N 1 1 353.422 3.250 20 5 FGBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000482697853 502155517 /nfs/dbraw/zinc/15/55/17/502155517.db2.gz WOBVGGODALFBKU-UHFFFAOYSA-N 1 1 367.453 3.471 20 5 FGBDMO CN(Cc1ccccc1)CC(C)(C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000482697853 502155520 /nfs/dbraw/zinc/15/55/20/502155520.db2.gz WOBVGGODALFBKU-UHFFFAOYSA-N 1 1 367.453 3.471 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](n1cccn1)C(F)(F)F ZINC000599056761 506298301 /nfs/dbraw/zinc/29/83/01/506298301.db2.gz NKIRVTPFSFTRQQ-YGRLFVJLSA-N 1 1 358.320 3.254 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000475565024 502213735 /nfs/dbraw/zinc/21/37/35/502213735.db2.gz ZTBKBZZNTMUXOD-UHFFFAOYSA-N 1 1 368.437 3.391 20 5 FGBDMO CO[C@H]1C[C@@H](CN(C)c2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)[N@@H+](C)C1 ZINC000461883855 502223298 /nfs/dbraw/zinc/22/32/98/502223298.db2.gz OSOHLPLMKHOPLV-RYUDHWBXSA-N 1 1 361.364 3.077 20 5 FGBDMO COc1ccc(C[NH2+]Cc2nc3cccc(Cl)c3n2C)cc1[N+](=O)[O-] ZINC000479415153 502251956 /nfs/dbraw/zinc/25/19/56/502251956.db2.gz CQHXBTXKKPBVGW-UHFFFAOYSA-N 1 1 360.801 3.433 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000483099974 502270839 /nfs/dbraw/zinc/27/08/39/502270839.db2.gz ATCSVMFRQXCTBG-OAHLLOKOSA-N 1 1 357.385 3.470 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000483099974 502270842 /nfs/dbraw/zinc/27/08/42/502270842.db2.gz ATCSVMFRQXCTBG-OAHLLOKOSA-N 1 1 357.385 3.470 20 5 FGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000602798610 506303401 /nfs/dbraw/zinc/30/34/01/506303401.db2.gz MANVJWFWSNLABA-HNNXBMFYSA-N 1 1 368.441 3.164 20 5 FGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000602798610 506303408 /nfs/dbraw/zinc/30/34/08/506303408.db2.gz MANVJWFWSNLABA-HNNXBMFYSA-N 1 1 368.441 3.164 20 5 FGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000602798610 506303415 /nfs/dbraw/zinc/30/34/15/506303415.db2.gz MANVJWFWSNLABA-HNNXBMFYSA-N 1 1 368.441 3.164 20 5 FGBDMO CCC[C@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000599064235 506303883 /nfs/dbraw/zinc/30/38/83/506303883.db2.gz LNEKEDJGQGPGMC-INIZCTEOSA-N 1 1 358.442 3.080 20 5 FGBDMO CCc1[nH+]ccn1[C@H]1CCCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000486933776 502308812 /nfs/dbraw/zinc/30/88/12/502308812.db2.gz AXBQPDCKCMOTIQ-HNNXBMFYSA-N 1 1 368.397 3.245 20 5 FGBDMO CC[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](CC)CN1C(C)=O ZINC000472359705 502328644 /nfs/dbraw/zinc/32/86/44/502328644.db2.gz MNNWMSHPYZHEPH-DLBZAZTESA-N 1 1 363.458 3.085 20 5 FGBDMO COCC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CC[C@@H](C)C1 ZINC000483408016 502378473 /nfs/dbraw/zinc/37/84/73/502378473.db2.gz OYZVZPIQDBIBOY-CJNGLKHVSA-N 1 1 350.415 3.098 20 5 FGBDMO COCC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H]1CC=CCC1 ZINC000483492387 502409599 /nfs/dbraw/zinc/40/95/99/502409599.db2.gz TVFKTSRXOPLEAV-HNNXBMFYSA-N 1 1 362.426 3.266 20 5 FGBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000466302240 502531777 /nfs/dbraw/zinc/53/17/77/502531777.db2.gz DFYKEOVGEIEQNN-BBRMVZONSA-N 1 1 357.385 3.299 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000462693756 502535711 /nfs/dbraw/zinc/53/57/11/502535711.db2.gz ZNYBOXJHVAQWDG-WMLDXEAASA-N 1 1 363.421 3.470 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCc2cc(C)ccc2C1 ZINC000484015910 502550113 /nfs/dbraw/zinc/55/01/13/502550113.db2.gz LQBGTPAGIQYPEX-UHFFFAOYSA-N 1 1 369.421 3.299 20 5 FGBDMO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000484153647 502586278 /nfs/dbraw/zinc/58/62/78/502586278.db2.gz BNBIPBXXKOAFBL-LDQXTDLNSA-N 1 1 369.465 3.128 20 5 FGBDMO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000484153647 502586280 /nfs/dbraw/zinc/58/62/80/502586280.db2.gz BNBIPBXXKOAFBL-LDQXTDLNSA-N 1 1 369.465 3.128 20 5 FGBDMO Cc1ccc([C@H](C)[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000484160450 502589050 /nfs/dbraw/zinc/58/90/50/502589050.db2.gz HUQKOSQFYGWILI-UWJYYQICSA-N 1 1 369.465 3.191 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)cnc1N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000480577568 502608349 /nfs/dbraw/zinc/60/83/49/502608349.db2.gz IWWKPKICOGEIQP-GASCZTMLSA-N 1 1 358.829 3.211 20 5 FGBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2c2nc3ccccc3cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000473513753 502617981 /nfs/dbraw/zinc/61/79/81/502617981.db2.gz PJIIAQVHSFKSEE-UXLLHSPISA-N 1 1 370.453 3.221 20 5 FGBDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2c2nc3ccccc3cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000473513753 502617987 /nfs/dbraw/zinc/61/79/87/502617987.db2.gz PJIIAQVHSFKSEE-UXLLHSPISA-N 1 1 370.453 3.221 20 5 FGBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000480719966 502652787 /nfs/dbraw/zinc/65/27/87/502652787.db2.gz ZBSLAHWKFSYGRB-HOTGVXAUSA-N 1 1 362.474 3.166 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470137092 502673975 /nfs/dbraw/zinc/67/39/75/502673975.db2.gz REFRGVZVWVZEGO-FZKQIMNGSA-N 1 1 372.400 3.376 20 5 FGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000470179188 502697372 /nfs/dbraw/zinc/69/73/72/502697372.db2.gz UCMQEZJTVUHBKC-BXBOZWQASA-N 1 1 357.454 3.236 20 5 FGBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000484778875 502739147 /nfs/dbraw/zinc/73/91/47/502739147.db2.gz UFRYADNIFVINJQ-UHFFFAOYSA-N 1 1 355.438 3.294 20 5 FGBDMO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000481185680 502775858 /nfs/dbraw/zinc/77/58/58/502775858.db2.gz DWCKFVPCKWPESJ-IEBWSBKVSA-N 1 1 369.465 3.474 20 5 FGBDMO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000481185679 502776612 /nfs/dbraw/zinc/77/66/12/502776612.db2.gz DWCKFVPCKWPESJ-HKUYNNGSSA-N 1 1 369.465 3.474 20 5 FGBDMO C[C@H]1C[C@H]1[N@H+]1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488714705 502788002 /nfs/dbraw/zinc/78/80/02/502788002.db2.gz FYZWOVKBYONPEF-SDDRHHMPSA-N 1 1 358.364 3.175 20 5 FGBDMO CCCC[N@@H+](C)CCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000488915122 502837906 /nfs/dbraw/zinc/83/79/06/502837906.db2.gz JWTOLMOBWCWWNH-UHFFFAOYSA-N 1 1 362.455 3.180 20 5 FGBDMO C[NH+](C)Cc1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)ccc1Cl ZINC000500790800 502865206 /nfs/dbraw/zinc/86/52/06/502865206.db2.gz AQMSIZPJGNDWBN-UHFFFAOYSA-N 1 1 366.780 3.283 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOc2ccc(F)cc2C1 ZINC000489168520 502892736 /nfs/dbraw/zinc/89/27/36/502892736.db2.gz MTZUEXAXTGWGTA-UHFFFAOYSA-N 1 1 373.384 3.266 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCOc2ccc(F)cc2C1 ZINC000489168520 502892741 /nfs/dbraw/zinc/89/27/41/502892741.db2.gz MTZUEXAXTGWGTA-UHFFFAOYSA-N 1 1 373.384 3.266 20 5 FGBDMO C[N@@H+]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c2ccccc2C1 ZINC000505420976 502901798 /nfs/dbraw/zinc/90/17/98/502901798.db2.gz LCUDLSWNEGRVFA-UHFFFAOYSA-N 1 1 350.378 3.168 20 5 FGBDMO C[N@H+]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c2ccccc2C1 ZINC000505420976 502901802 /nfs/dbraw/zinc/90/18/02/502901802.db2.gz LCUDLSWNEGRVFA-UHFFFAOYSA-N 1 1 350.378 3.168 20 5 FGBDMO CCc1ccc([C@@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CC[NH2+]2)cc1 ZINC000505542825 502931086 /nfs/dbraw/zinc/93/10/86/502931086.db2.gz MGFHYNQOTOKRNM-SFHVURJKSA-N 1 1 357.385 3.083 20 5 FGBDMO CCc1ccc([C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC[NH2+]2)cc1 ZINC000505572022 502938986 /nfs/dbraw/zinc/93/89/86/502938986.db2.gz GNPJDBCTRQOIHJ-GOSISDBHSA-N 1 1 357.385 3.083 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000505736054 502975761 /nfs/dbraw/zinc/97/57/61/502975761.db2.gz LJWUXTJSMNXDSF-AWEZNQCLSA-N 1 1 351.472 3.311 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1CN1CC[NH+](Cc2cccs2)CC1 ZINC000506050438 503036972 /nfs/dbraw/zinc/03/69/72/503036972.db2.gz AUMCDPCKSGLTKZ-UHFFFAOYSA-N 1 1 361.467 3.373 20 5 FGBDMO Cc1ccccc1C[C@@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000514184202 503106968 /nfs/dbraw/zinc/10/69/68/503106968.db2.gz RIRCCDICQRFPMJ-SFHVURJKSA-N 1 1 353.422 3.209 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000507134534 503236629 /nfs/dbraw/zinc/23/66/29/503236629.db2.gz GHVVMMHRZMOEJI-UHFFFAOYSA-N 1 1 373.478 3.437 20 5 FGBDMO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511060147 503244157 /nfs/dbraw/zinc/24/41/57/503244157.db2.gz QIRLYGJPBWOLLU-INIZCTEOSA-N 1 1 355.438 3.289 20 5 FGBDMO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511060147 503244160 /nfs/dbraw/zinc/24/41/60/503244160.db2.gz QIRLYGJPBWOLLU-INIZCTEOSA-N 1 1 355.438 3.289 20 5 FGBDMO CSc1cccc(NC(=O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000511126024 503262501 /nfs/dbraw/zinc/26/25/01/503262501.db2.gz OFXDIZBVPISZJR-UHFFFAOYSA-N 1 1 359.451 3.430 20 5 FGBDMO CSc1cccc(NC(=O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000511126024 503262506 /nfs/dbraw/zinc/26/25/06/503262506.db2.gz OFXDIZBVPISZJR-UHFFFAOYSA-N 1 1 359.451 3.430 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000511206143 503280056 /nfs/dbraw/zinc/28/00/56/503280056.db2.gz LGCAAJHRZSNKHH-QGZVFWFLSA-N 1 1 353.422 3.298 20 5 FGBDMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000491181563 503282012 /nfs/dbraw/zinc/28/20/12/503282012.db2.gz FJWZJSSVIQAEGP-HIFRSBDPSA-N 1 1 351.422 3.251 20 5 FGBDMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000491181563 503282014 /nfs/dbraw/zinc/28/20/14/503282014.db2.gz FJWZJSSVIQAEGP-HIFRSBDPSA-N 1 1 351.422 3.251 20 5 FGBDMO O=C(C[N@@H+]1CC[C@H](C2CC2)C1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000491257291 503291658 /nfs/dbraw/zinc/29/16/58/503291658.db2.gz ZODOAVJZLCGIKK-AWEZNQCLSA-N 1 1 372.450 3.389 20 5 FGBDMO O=C(C[N@H+]1CC[C@H](C2CC2)C1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000491257291 503291662 /nfs/dbraw/zinc/29/16/62/503291662.db2.gz ZODOAVJZLCGIKK-AWEZNQCLSA-N 1 1 372.450 3.389 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000511332575 503301620 /nfs/dbraw/zinc/30/16/20/503301620.db2.gz IWQIYQDFSLSRME-CYBMUJFWSA-N 1 1 363.483 3.477 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000511587540 503349425 /nfs/dbraw/zinc/34/94/25/503349425.db2.gz UCAJWQGHGNTEFX-QGZVFWFLSA-N 1 1 357.410 3.453 20 5 FGBDMO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000593062031 506368505 /nfs/dbraw/zinc/36/85/05/506368505.db2.gz MRMRPDRXIZMWEJ-SFHVURJKSA-N 1 1 371.412 3.057 20 5 FGBDMO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)n1 ZINC000493029090 503401172 /nfs/dbraw/zinc/40/11/72/503401172.db2.gz FAFBDECIAFGLBM-CQSZACIVSA-N 1 1 363.849 3.369 20 5 FGBDMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)n1 ZINC000493029090 503401174 /nfs/dbraw/zinc/40/11/74/503401174.db2.gz FAFBDECIAFGLBM-CQSZACIVSA-N 1 1 363.849 3.369 20 5 FGBDMO CC[N@@H+](CCNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)CCC(F)(F)F ZINC000494028394 503477340 /nfs/dbraw/zinc/47/73/40/503477340.db2.gz QRRCVSHYDHMOKB-UHFFFAOYSA-N 1 1 362.352 3.299 20 5 FGBDMO Cc1ccc2c(c1)C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000512279898 503507553 /nfs/dbraw/zinc/50/75/53/503507553.db2.gz UVXBVGDOYBWZSJ-UHFFFAOYSA-N 1 1 355.394 3.126 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000504089092 503520944 /nfs/dbraw/zinc/52/09/44/503520944.db2.gz FKFXNHHADLRAIN-HOTGVXAUSA-N 1 1 363.483 3.454 20 5 FGBDMO COC(=O)c1ccc(N2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)[C@@H](C)C2)cc1 ZINC000512364644 503528862 /nfs/dbraw/zinc/52/88/62/503528862.db2.gz JSLZLYIBOMJWRG-HNNXBMFYSA-N 1 1 369.421 3.092 20 5 FGBDMO COC(=O)c1ccc(N2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)[C@@H](C)C2)cc1 ZINC000512364644 503528867 /nfs/dbraw/zinc/52/88/67/503528867.db2.gz JSLZLYIBOMJWRG-HNNXBMFYSA-N 1 1 369.421 3.092 20 5 FGBDMO O=C1CC[C@H]2C[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)CCN12 ZINC000512470383 503563151 /nfs/dbraw/zinc/56/31/51/503563151.db2.gz YEIREOQAICFMFO-HNNXBMFYSA-N 1 1 357.435 3.130 20 5 FGBDMO O=C1CC[C@H]2C[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)CCN12 ZINC000512470383 503563155 /nfs/dbraw/zinc/56/31/55/503563155.db2.gz YEIREOQAICFMFO-HNNXBMFYSA-N 1 1 357.435 3.130 20 5 FGBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000516682230 503567770 /nfs/dbraw/zinc/56/77/70/503567770.db2.gz ADCOGXIBWUZSQR-QKPAOTATSA-N 1 1 362.474 3.321 20 5 FGBDMO CC[C@@H]1CCCC[N@H+]1CCNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000500412065 503618435 /nfs/dbraw/zinc/61/84/35/503618435.db2.gz BPMSXAHRHHSOEA-MRXNPFEDSA-N 1 1 360.458 3.163 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000500440577 503625588 /nfs/dbraw/zinc/62/55/88/503625588.db2.gz WLLGPXGUBVXJBD-DLBZAZTESA-N 1 1 367.449 3.259 20 5 FGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000512834803 503642655 /nfs/dbraw/zinc/64/26/55/503642655.db2.gz UALOZWJVHRBWBP-QWRGUYRKSA-N 1 1 368.340 3.267 20 5 FGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](COC(F)F)C1 ZINC000512834803 503642658 /nfs/dbraw/zinc/64/26/58/503642658.db2.gz UALOZWJVHRBWBP-QWRGUYRKSA-N 1 1 368.340 3.267 20 5 FGBDMO CC[C@H](C)[C@H]1CCCC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000543205964 503678451 /nfs/dbraw/zinc/67/84/51/503678451.db2.gz FFMXUPQDBUBSGM-WMLDXEAASA-N 1 1 354.472 3.269 20 5 FGBDMO CC[C@H](C)[C@H]1CCCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000543205964 503678455 /nfs/dbraw/zinc/67/84/55/503678455.db2.gz FFMXUPQDBUBSGM-WMLDXEAASA-N 1 1 354.472 3.269 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000533013081 503697898 /nfs/dbraw/zinc/69/78/98/503697898.db2.gz NDTHWMMJCZRPPG-LBPRGKRZSA-N 1 1 357.439 3.318 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000533013081 503697902 /nfs/dbraw/zinc/69/79/02/503697902.db2.gz NDTHWMMJCZRPPG-LBPRGKRZSA-N 1 1 357.439 3.318 20 5 FGBDMO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000533064100 503718222 /nfs/dbraw/zinc/71/82/22/503718222.db2.gz WSKSXVZAFZBVDI-AWEZNQCLSA-N 1 1 369.849 3.468 20 5 FGBDMO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000533064100 503718225 /nfs/dbraw/zinc/71/82/25/503718225.db2.gz WSKSXVZAFZBVDI-AWEZNQCLSA-N 1 1 369.849 3.468 20 5 FGBDMO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@@H]2CCCCS2(=O)=O)c2ccccc2)c1 ZINC000543426842 503765232 /nfs/dbraw/zinc/76/52/32/503765232.db2.gz LSVBNZNPSCYZBT-RBUKOAKNSA-N 1 1 374.462 3.241 20 5 FGBDMO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@H]2CCCCS2(=O)=O)c2ccccc2)c1 ZINC000543426843 503765735 /nfs/dbraw/zinc/76/57/35/503765735.db2.gz LSVBNZNPSCYZBT-RTBURBONSA-N 1 1 374.462 3.241 20 5 FGBDMO COCC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](C)c1ccccc1 ZINC000533255283 503779800 /nfs/dbraw/zinc/77/98/00/503779800.db2.gz VAEWDUVCPWDSDC-OAHLLOKOSA-N 1 1 357.410 3.243 20 5 FGBDMO COCC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](C)c1ccccc1 ZINC000533255283 503779804 /nfs/dbraw/zinc/77/98/04/503779804.db2.gz VAEWDUVCPWDSDC-OAHLLOKOSA-N 1 1 357.410 3.243 20 5 FGBDMO C[C@@H](C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21)c1ccc([N+](=O)[O-])cc1F ZINC000543458932 503780160 /nfs/dbraw/zinc/78/01/60/503780160.db2.gz KKXUHUGBMBOVJO-KZULUSFZSA-N 1 1 357.385 3.140 20 5 FGBDMO C[C@@H](C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21)c1ccc([N+](=O)[O-])cc1F ZINC000543458932 503780166 /nfs/dbraw/zinc/78/01/66/503780166.db2.gz KKXUHUGBMBOVJO-KZULUSFZSA-N 1 1 357.385 3.140 20 5 FGBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000537025750 503780987 /nfs/dbraw/zinc/78/09/87/503780987.db2.gz HYCITLGCCAGURC-JKSUJKDBSA-N 1 1 362.474 3.466 20 5 FGBDMO C[C@@H]([NH2+]CC(=O)NCc1ccc(Cl)s1)c1ccccc1[N+](=O)[O-] ZINC000540479429 503784027 /nfs/dbraw/zinc/78/40/27/503784027.db2.gz IFLBTSXNZFIKFY-SNVBAGLBSA-N 1 1 353.831 3.277 20 5 FGBDMO Cc1csc([C@@H]([NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C2CC2)n1 ZINC000543478171 503787987 /nfs/dbraw/zinc/78/79/87/503787987.db2.gz ORWXKRONWWYOGI-INIZCTEOSA-N 1 1 360.439 3.348 20 5 FGBDMO Cc1csc([C@H]([NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C2CC2)n1 ZINC000543478172 503788225 /nfs/dbraw/zinc/78/82/25/503788225.db2.gz ORWXKRONWWYOGI-MRXNPFEDSA-N 1 1 360.439 3.348 20 5 FGBDMO C[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000543648072 503841037 /nfs/dbraw/zinc/84/10/37/503841037.db2.gz RUMJXVVEECDKHH-HIFRSBDPSA-N 1 1 363.433 3.028 20 5 FGBDMO C[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000543648079 503841080 /nfs/dbraw/zinc/84/10/80/503841080.db2.gz RUMJXVVEECDKHH-ZFWWWQNUSA-N 1 1 363.433 3.028 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1c1ccccn1 ZINC000533484313 503861252 /nfs/dbraw/zinc/86/12/52/503861252.db2.gz INVOAGUXYUEWGF-KRWDZBQOSA-N 1 1 370.409 3.164 20 5 FGBDMO C[C@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000517907877 503864516 /nfs/dbraw/zinc/86/45/16/503864516.db2.gz NORXTTVRJYSDGE-GFCCVEGCSA-N 1 1 356.348 3.373 20 5 FGBDMO CC[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000546815661 503888588 /nfs/dbraw/zinc/88/85/88/503888588.db2.gz FSRXXGLYTYSJIQ-KRWDZBQOSA-N 1 1 353.422 3.331 20 5 FGBDMO CC[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000546815661 503888594 /nfs/dbraw/zinc/88/85/94/503888594.db2.gz FSRXXGLYTYSJIQ-KRWDZBQOSA-N 1 1 353.422 3.331 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000518262863 503938908 /nfs/dbraw/zinc/93/89/08/503938908.db2.gz OETVROSEKBITBC-GASCZTMLSA-N 1 1 370.453 3.331 20 5 FGBDMO COc1ccc([N+](=O)[O-])c(NCc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000518351309 503960514 /nfs/dbraw/zinc/96/05/14/503960514.db2.gz VJNVFBTYZLMMJF-UHFFFAOYSA-N 1 1 357.410 3.048 20 5 FGBDMO COc1cc(C[NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC000541022493 503978516 /nfs/dbraw/zinc/97/85/16/503978516.db2.gz GFIXNXNYZCLRKK-AWEZNQCLSA-N 1 1 370.327 3.445 20 5 FGBDMO CCc1ccc([C@H]([NH2+]CCc2cnccn2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000530518618 503995927 /nfs/dbraw/zinc/99/59/27/503995927.db2.gz WDPRQZFIJBJSII-LJQANCHMSA-N 1 1 352.394 3.462 20 5 FGBDMO C[C@@H]1CCC[C@@H](C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 ZINC000537807516 504047838 /nfs/dbraw/zinc/04/78/38/504047838.db2.gz DBSKQHLTPONWDJ-ZIAGYGMSSA-N 1 1 351.472 3.240 20 5 FGBDMO CC[N@@H+](CCC1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1)CC1CC1 ZINC000537812800 504049845 /nfs/dbraw/zinc/04/98/45/504049845.db2.gz YEKWVAVZWLGZFA-UHFFFAOYSA-N 1 1 373.497 3.498 20 5 FGBDMO C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCc2ccccc21 ZINC000541281195 504073161 /nfs/dbraw/zinc/07/31/61/504073161.db2.gz NCSCEKNFFGNKTK-LJQANCHMSA-N 1 1 374.462 3.378 20 5 FGBDMO C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCc2ccccc21 ZINC000541281195 504073167 /nfs/dbraw/zinc/07/31/67/504073167.db2.gz NCSCEKNFFGNKTK-LJQANCHMSA-N 1 1 374.462 3.378 20 5 FGBDMO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000518838090 504076121 /nfs/dbraw/zinc/07/61/21/504076121.db2.gz KWNZPZJGIDYGND-INIZCTEOSA-N 1 1 373.409 3.125 20 5 FGBDMO O=C(CC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1)Nc1cccc(Cl)c1 ZINC000544441253 504136532 /nfs/dbraw/zinc/13/65/32/504136532.db2.gz SRRGVUXCLJTMRQ-UHFFFAOYSA-N 1 1 360.801 3.030 20 5 FGBDMO Cc1ccc(NCCCNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[nH+]c1 ZINC000531011272 504162316 /nfs/dbraw/zinc/16/23/16/504162316.db2.gz MHPIZMHWGZWHSC-UHFFFAOYSA-N 1 1 370.434 3.167 20 5 FGBDMO O=C(CC[N@H+]1CCO[C@@H](C2CCCCC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000544547554 504168835 /nfs/dbraw/zinc/16/88/35/504168835.db2.gz SBVAXXJOAGCXBD-GOSISDBHSA-N 1 1 361.442 3.205 20 5 FGBDMO C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000534869841 504265355 /nfs/dbraw/zinc/26/53/55/504265355.db2.gz WPMPSCWEAOZPLW-LBPRGKRZSA-N 1 1 369.343 3.468 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CC(F)F)CC1CCC1 ZINC000534907163 504277106 /nfs/dbraw/zinc/27/71/06/504277106.db2.gz GOKSHAXRMWSYOX-UHFFFAOYSA-N 1 1 371.384 3.299 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CC(F)F)CC1CCC1 ZINC000534907163 504277111 /nfs/dbraw/zinc/27/71/11/504277111.db2.gz GOKSHAXRMWSYOX-UHFFFAOYSA-N 1 1 371.384 3.299 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])c(N[C@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000541935920 504308752 /nfs/dbraw/zinc/30/87/52/504308752.db2.gz KAKXCAYYGAJFQG-SJLPKXTDSA-N 1 1 370.453 3.308 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])c(N[C@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000541935920 504308755 /nfs/dbraw/zinc/30/87/55/504308755.db2.gz KAKXCAYYGAJFQG-SJLPKXTDSA-N 1 1 370.453 3.308 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000541935919 504308987 /nfs/dbraw/zinc/30/89/87/504308987.db2.gz KAKXCAYYGAJFQG-FUHWJXTLSA-N 1 1 370.453 3.308 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000541935919 504308991 /nfs/dbraw/zinc/30/89/91/504308991.db2.gz KAKXCAYYGAJFQG-FUHWJXTLSA-N 1 1 370.453 3.308 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@H]([C@H](C)O)C2)cc1OC ZINC000541958922 504316688 /nfs/dbraw/zinc/31/66/88/504316688.db2.gz WPQQZCKZLKLWTB-KKUMJFAQSA-N 1 1 366.458 3.231 20 5 FGBDMO COc1cc(C[N@@H+]2Cc3ccccc3N(C)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000538737812 504352836 /nfs/dbraw/zinc/35/28/36/504352836.db2.gz DNSNUNYFTBWZQP-CQSZACIVSA-N 1 1 371.437 3.453 20 5 FGBDMO COc1cc(C[N@H+]2Cc3ccccc3N(C)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000538737812 504352838 /nfs/dbraw/zinc/35/28/38/504352838.db2.gz DNSNUNYFTBWZQP-CQSZACIVSA-N 1 1 371.437 3.453 20 5 FGBDMO C[N@@H+](CCCNC(=O)NCCc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000535375169 504417640 /nfs/dbraw/zinc/41/76/40/504417640.db2.gz RLNXBQQMIUFXKA-UHFFFAOYSA-N 1 1 362.474 3.091 20 5 FGBDMO C[C@H](C[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000542278673 504436223 /nfs/dbraw/zinc/43/62/23/504436223.db2.gz FYLHERPQIDGVGK-OAHLLOKOSA-N 1 1 362.451 3.104 20 5 FGBDMO C[C@H](C[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000542278673 504436226 /nfs/dbraw/zinc/43/62/26/504436226.db2.gz FYLHERPQIDGVGK-OAHLLOKOSA-N 1 1 362.451 3.104 20 5 FGBDMO CCc1ccc([C@@H]([NH2+]CCN2CCO[C@@H](C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542473793 504504127 /nfs/dbraw/zinc/50/41/27/504504127.db2.gz OCBQUDSAPJBQRE-YWZLYKJASA-N 1 1 373.453 3.150 20 5 FGBDMO CCC[N@@H+](C)C[C@H]1CCN(c2ncc([N+](=O)[O-])c(C)c2Br)C1 ZINC000542505778 504518008 /nfs/dbraw/zinc/51/80/08/504518008.db2.gz MSPFEMOCUWOKPA-GFCCVEGCSA-N 1 1 371.279 3.229 20 5 FGBDMO Cc1nc(NC(=O)[C@@H](C)[N@H+](C)CCc2cccc([N+](=O)[O-])c2)sc1C ZINC000548928661 504623694 /nfs/dbraw/zinc/62/36/94/504623694.db2.gz ZKQYBNJGWGXMSG-GFCCVEGCSA-N 1 1 362.455 3.170 20 5 FGBDMO Cc1nc(NC(=O)[C@@H](C)[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)sc1C ZINC000548928661 504623697 /nfs/dbraw/zinc/62/36/97/504623697.db2.gz ZKQYBNJGWGXMSG-GFCCVEGCSA-N 1 1 362.455 3.170 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+]3CCC[C@H]([C@@H](C)O)C3)o2)c([N+](=O)[O-])c1 ZINC000542820196 504624303 /nfs/dbraw/zinc/62/43/03/504624303.db2.gz MUYXKOVDFJEVEW-KGLIPLIRSA-N 1 1 360.410 3.456 20 5 FGBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000542872788 504641841 /nfs/dbraw/zinc/64/18/41/504641841.db2.gz ALZGTRGDHRHCBV-VXGBXAGGSA-N 1 1 371.384 3.046 20 5 FGBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000539852159 504718130 /nfs/dbraw/zinc/71/81/30/504718130.db2.gz FUOBXNHNRMLNGQ-CQSZACIVSA-N 1 1 369.412 3.360 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000539865067 504721837 /nfs/dbraw/zinc/72/18/37/504721837.db2.gz SKEOLGZRNMJRKA-KRWDZBQOSA-N 1 1 353.422 3.437 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000539865067 504721841 /nfs/dbraw/zinc/72/18/41/504721841.db2.gz SKEOLGZRNMJRKA-KRWDZBQOSA-N 1 1 353.422 3.437 20 5 FGBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000553061653 504816938 /nfs/dbraw/zinc/81/69/38/504816938.db2.gz LPYGWUYBKDLFFU-QGZVFWFLSA-N 1 1 359.470 3.250 20 5 FGBDMO COCCn1cc2c(n1)[C@@H]([NH2+][C@@H]1CCc3c1cccc3[N+](=O)[O-])CCC2 ZINC000565218755 504828188 /nfs/dbraw/zinc/82/81/88/504828188.db2.gz ZXSVGBPHPIKJHL-SJORKVTESA-N 1 1 356.426 3.092 20 5 FGBDMO Nc1c(F)c(N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)ccc1[N+](=O)[O-] ZINC000553334300 504886061 /nfs/dbraw/zinc/88/60/61/504886061.db2.gz 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374.462 3.474 20 5 FGBDMO COc1cccc([N+](=O)[O-])c1N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000563427833 505138811 /nfs/dbraw/zinc/13/88/11/505138811.db2.gz UHSVNPUOJLOHLM-CALCHBBNSA-N 1 1 353.422 3.172 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCO[C@]3(CCCOC3)C2)o1 ZINC000563483123 505152699 /nfs/dbraw/zinc/15/26/99/505152699.db2.gz RFIXVHSNHMLBIX-LJQANCHMSA-N 1 1 358.394 3.236 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCO[C@]3(CCCOC3)C2)o1 ZINC000563483123 505152701 /nfs/dbraw/zinc/15/27/01/505152701.db2.gz RFIXVHSNHMLBIX-LJQANCHMSA-N 1 1 358.394 3.236 20 5 FGBDMO C[NH+](C)[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(Cl)cc1 ZINC000564220160 505355976 /nfs/dbraw/zinc/35/59/76/505355976.db2.gz JHIJMIPVNPZZRY-QGZVFWFLSA-N 1 1 359.813 3.440 20 5 FGBDMO C[C@H](CO)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000564320634 505382618 /nfs/dbraw/zinc/38/26/18/505382618.db2.gz IZJSYPSJWPXIMB-SNVBAGLBSA-N 1 1 369.215 3.430 20 5 FGBDMO 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COc1cc(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000599587120 506512194 /nfs/dbraw/zinc/51/21/94/506512194.db2.gz CRLGWPJLQUMALD-UKRRQHHQSA-N 1 1 364.442 3.403 20 5 FGBDMO COc1ccc(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000599585541 506512582 /nfs/dbraw/zinc/51/25/82/506512582.db2.gz FMCYJVVFCZRKPH-HIFRSBDPSA-N 1 1 364.442 3.403 20 5 FGBDMO COc1ccc(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000599585541 506512586 /nfs/dbraw/zinc/51/25/86/506512586.db2.gz FMCYJVVFCZRKPH-HIFRSBDPSA-N 1 1 364.442 3.403 20 5 FGBDMO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H]2CCC[C@@H]21 ZINC000599657431 506557764 /nfs/dbraw/zinc/55/77/64/506557764.db2.gz KSKUWSNFGCRMBW-KFWWJZLASA-N 1 1 352.818 3.412 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H]2CCC[C@@H]21 ZINC000599657431 506557770 /nfs/dbraw/zinc/55/77/70/506557770.db2.gz KSKUWSNFGCRMBW-KFWWJZLASA-N 1 1 352.818 3.412 20 5 FGBDMO 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/nfs/dbraw/zinc/81/04/66/506810466.db2.gz ACLAYSUZYLHSJK-UHFFFAOYSA-N 1 1 368.393 3.328 20 5 FGBDMO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000597181668 506817929 /nfs/dbraw/zinc/81/79/29/506817929.db2.gz KRGVMQMMAKCKLA-OLZOCXBDSA-N 1 1 360.332 3.077 20 5 FGBDMO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000597181668 506817934 /nfs/dbraw/zinc/81/79/34/506817934.db2.gz KRGVMQMMAKCKLA-OLZOCXBDSA-N 1 1 360.332 3.077 20 5 FGBDMO O=C(C[N@H+]1CCC[C@@H]1c1ccc(O)cc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000604484263 506845129 /nfs/dbraw/zinc/84/51/29/506845129.db2.gz KMMRAWZGFJTVAE-GOSISDBHSA-N 1 1 367.405 3.027 20 5 FGBDMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc(O)cc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000604484263 506845133 /nfs/dbraw/zinc/84/51/33/506845133.db2.gz KMMRAWZGFJTVAE-GOSISDBHSA-N 1 1 367.405 3.027 20 5 FGBDMO COCC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H](C)c1ccccc1 ZINC000604493412 506849306 /nfs/dbraw/zinc/84/93/06/506849306.db2.gz NUGPDDFVVMWAEO-INIZCTEOSA-N 1 1 371.437 3.267 20 5 FGBDMO COCC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H](C)c1ccccc1 ZINC000604493412 506849313 /nfs/dbraw/zinc/84/93/13/506849313.db2.gz NUGPDDFVVMWAEO-INIZCTEOSA-N 1 1 371.437 3.267 20 5 FGBDMO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000600230114 506861652 /nfs/dbraw/zinc/86/16/52/506861652.db2.gz ZLIBXAIMYNDMGZ-SFHVURJKSA-N 1 1 370.453 3.073 20 5 FGBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000600229037 506862004 /nfs/dbraw/zinc/86/20/04/506862004.db2.gz NVELVNAETNBILR-MRXNPFEDSA-N 1 1 363.483 3.210 20 5 FGBDMO C[N@H+]1CCCN(CCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000604526470 506862520 /nfs/dbraw/zinc/86/25/20/506862520.db2.gz AKDFWWIWAFCMBK-UHFFFAOYSA-N 1 1 360.380 3.053 20 5 FGBDMO CN1CCC[N@H+](CCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000604526470 506862527 /nfs/dbraw/zinc/86/25/27/506862527.db2.gz AKDFWWIWAFCMBK-UHFFFAOYSA-N 1 1 360.380 3.053 20 5 FGBDMO CN1CCC[N@@H+](CCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000604526470 506862528 /nfs/dbraw/zinc/86/25/28/506862528.db2.gz AKDFWWIWAFCMBK-UHFFFAOYSA-N 1 1 360.380 3.053 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[NH2+]Cc1ccc3ccccc3n1)OCCO2 ZINC000604533056 506864177 /nfs/dbraw/zinc/86/41/77/506864177.db2.gz WKIUEDKNDSBMBO-UHFFFAOYSA-N 1 1 351.362 3.204 20 5 FGBDMO C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000604535249 506865863 /nfs/dbraw/zinc/86/58/63/506865863.db2.gz OTCWTGWCCFWKOK-MAUKXSAKSA-N 1 1 368.437 3.079 20 5 FGBDMO COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)Cc1cc([N+](=O)[O-])ccc1OC ZINC000604540480 506867230 /nfs/dbraw/zinc/86/72/30/506867230.db2.gz FAELWRGPSWFBOQ-HNNXBMFYSA-N 1 1 372.421 3.415 20 5 FGBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000609530018 506909744 /nfs/dbraw/zinc/90/97/44/506909744.db2.gz GQCUUJIQYWJCDZ-CQSZACIVSA-N 1 1 363.458 3.234 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](c3ccncc3)C2)cccc1[N+](=O)[O-] ZINC000583701376 506925669 /nfs/dbraw/zinc/92/56/69/506925669.db2.gz MVEYAUWREOLYTQ-HOCLYGCPSA-N 1 1 354.410 3.115 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H](c3ccncc3)C2)cccc1[N+](=O)[O-] ZINC000583701376 506925676 /nfs/dbraw/zinc/92/56/76/506925676.db2.gz MVEYAUWREOLYTQ-HOCLYGCPSA-N 1 1 354.410 3.115 20 5 FGBDMO CC(C)Oc1cc(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)ccc1[N+](=O)[O-] ZINC000600469834 506962434 /nfs/dbraw/zinc/96/24/34/506962434.db2.gz LBHAACQJOUDHIY-MRXNPFEDSA-N 1 1 361.442 3.129 20 5 FGBDMO CC(C)(C)[N@H+]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000609792877 507002786 /nfs/dbraw/zinc/00/27/86/507002786.db2.gz PWCOKJZDNKNZGT-UHFFFAOYSA-N 1 1 353.850 3.124 20 5 FGBDMO C[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000609860801 507028409 /nfs/dbraw/zinc/02/84/09/507028409.db2.gz RASNWRMSUXYCGX-CYBMUJFWSA-N 1 1 361.829 3.499 20 5 FGBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000600684058 507063395 /nfs/dbraw/zinc/06/33/95/507063395.db2.gz VUUXYMTXAPTIAJ-CQSZACIVSA-N 1 1 350.394 3.262 20 5 FGBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594284479 507063341 /nfs/dbraw/zinc/06/33/41/507063341.db2.gz YXHADVCHKGUCDW-IEBWSBKVSA-N 1 1 372.469 3.286 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c(F)c1 ZINC000610116520 507105368 /nfs/dbraw/zinc/10/53/68/507105368.db2.gz MCDADZQFOCLXBF-YJBOKZPZSA-N 1 1 359.401 3.029 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597860489 507138793 /nfs/dbraw/zinc/13/87/93/507138793.db2.gz NCQQIGMFOVYOII-GFCCVEGCSA-N 1 1 353.850 3.407 20 5 FGBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597861849 507139741 /nfs/dbraw/zinc/13/97/41/507139741.db2.gz XEVDNLCZVNALGB-IRXDYDNUSA-N 1 1 361.486 3.400 20 5 FGBDMO C[C@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)CC[N@H+]1Cc1ccccc1 ZINC000591194704 507149050 /nfs/dbraw/zinc/14/90/50/507149050.db2.gz ADPRCJDEQLQGSL-HNNXBMFYSA-N 1 1 363.421 3.249 20 5 FGBDMO COc1cc(-c2nc(CCCCn3c[nH+]c(C)c3C)no2)ccc1[N+](=O)[O-] ZINC000594534089 507175006 /nfs/dbraw/zinc/17/50/06/507175006.db2.gz HPWFWSKUEFIMHY-UHFFFAOYSA-N 1 1 371.397 3.490 20 5 FGBDMO CCOC(=O)Cc1ccc(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000594599989 507204051 /nfs/dbraw/zinc/20/40/51/507204051.db2.gz KXCLUNSVHRQIBR-RDJZCZTQSA-N 1 1 361.442 3.129 20 5 FGBDMO CCN(C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](CC)C1 ZINC000598043234 507231115 /nfs/dbraw/zinc/23/11/15/507231115.db2.gz SDIYMFCOMATMAC-UKRRQHHQSA-N 1 1 351.472 3.018 20 5 FGBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000610505707 507268374 /nfs/dbraw/zinc/26/83/74/507268374.db2.gz SMEFHHIMPKDZGN-INIZCTEOSA-N 1 1 371.368 3.479 20 5 FGBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000610505707 507268378 /nfs/dbraw/zinc/26/83/78/507268378.db2.gz SMEFHHIMPKDZGN-INIZCTEOSA-N 1 1 371.368 3.479 20 5 FGBDMO Cc1noc(C2(C)CCN(c3cc[nH+]c4ccc([N+](=O)[O-])cc43)CC2)n1 ZINC000601139819 507275988 /nfs/dbraw/zinc/27/59/88/507275988.db2.gz NEYCSYFOWRDLEM-UHFFFAOYSA-N 1 1 353.382 3.393 20 5 FGBDMO Cc1ccc(C(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000598193979 507306336 /nfs/dbraw/zinc/30/63/36/507306336.db2.gz CPAZEQZPLXIGEJ-LJQANCHMSA-N 1 1 367.449 3.292 20 5 FGBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601258770 507313029 /nfs/dbraw/zinc/31/30/29/507313029.db2.gz NEDDXGHVAUDALL-INIZCTEOSA-N 1 1 359.470 3.207 20 5 FGBDMO CCOc1ccc(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000598220552 507325350 /nfs/dbraw/zinc/32/53/50/507325350.db2.gz QPAPJNUYOAVVRE-HNNXBMFYSA-N 1 1 361.442 3.130 20 5 FGBDMO COc1ccc(C[NH2+]Cc2ccnn2CCc2ccccc2)cc1[N+](=O)[O-] ZINC000610678021 507345011 /nfs/dbraw/zinc/34/50/11/507345011.db2.gz HJQIETXVMKNSBT-UHFFFAOYSA-N 1 1 366.421 3.332 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](CC(=O)N(C)C)c1ccccc1 ZINC000595018110 507355337 /nfs/dbraw/zinc/35/53/37/507355337.db2.gz QCBDZLQMUZAYDO-RDTXWAMCSA-N 1 1 371.437 3.474 20 5 FGBDMO COc1ccc([C@H](CCO)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000595021654 507357527 /nfs/dbraw/zinc/35/75/27/507357527.db2.gz QVODEBLDCIXBRB-UGSOOPFHSA-N 1 1 360.410 3.386 20 5 FGBDMO C[C@@H]1[C@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000601583199 507394127 /nfs/dbraw/zinc/39/41/27/507394127.db2.gz XVMCCPBCPJYPKA-CZUORRHYSA-N 1 1 357.385 3.127 20 5 FGBDMO CC(=O)NCC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccsc1 ZINC000584542830 507403057 /nfs/dbraw/zinc/40/30/57/507403057.db2.gz JYZIXZHCGDBINK-GQCTYLIASA-N 1 1 359.451 3.308 20 5 FGBDMO CC(=O)NCC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccsc1 ZINC000584542830 507403067 /nfs/dbraw/zinc/40/30/67/507403067.db2.gz JYZIXZHCGDBINK-GQCTYLIASA-N 1 1 359.451 3.308 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CCOC(C)(C)C ZINC000610859906 507417528 /nfs/dbraw/zinc/41/75/28/507417528.db2.gz ULYAWFMYUNAIRN-LLVKDONJSA-N 1 1 357.838 3.322 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)CCOC(C)(C)C ZINC000610859906 507417535 /nfs/dbraw/zinc/41/75/35/507417535.db2.gz ULYAWFMYUNAIRN-LLVKDONJSA-N 1 1 357.838 3.322 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@@]4(C3)CCc3ccccc3O4)nc2c1 ZINC000584683361 507446733 /nfs/dbraw/zinc/44/67/33/507446733.db2.gz JRFBWSCRQOSEOU-HXUWFJFHSA-N 1 1 364.405 3.441 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@@]4(C3)CCc3ccccc3O4)nc2c1 ZINC000584683361 507446736 /nfs/dbraw/zinc/44/67/36/507446736.db2.gz JRFBWSCRQOSEOU-HXUWFJFHSA-N 1 1 364.405 3.441 20 5 FGBDMO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(F)cc3[N+](=O)[O-])CC2)C1 ZINC000595297771 507453771 /nfs/dbraw/zinc/45/37/71/507453771.db2.gz OHNMAJJMSLJYPV-CQSZACIVSA-N 1 1 363.433 3.204 20 5 FGBDMO Cc1c(CC(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000610971055 507460060 /nfs/dbraw/zinc/46/00/60/507460060.db2.gz JDPNGERURJMSDS-IBGZPJMESA-N 1 1 367.449 3.179 20 5 FGBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000598508678 507465213 /nfs/dbraw/zinc/46/52/13/507465213.db2.gz HHYZEEGCPBVXOW-KRWDZBQOSA-N 1 1 373.840 3.181 20 5 FGBDMO Cc1noc(CN2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c1[N+](=O)[O-] ZINC000595343557 507466226 /nfs/dbraw/zinc/46/62/26/507466226.db2.gz BIAQVPNGHHTZHK-CQSZACIVSA-N 1 1 350.463 3.368 20 5 FGBDMO CC(C)(C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000598511546 507467813 /nfs/dbraw/zinc/46/78/13/507467813.db2.gz SNFJUEYNKHVXDV-IBGZPJMESA-N 1 1 367.449 3.263 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000598559409 507486421 /nfs/dbraw/zinc/48/64/21/507486421.db2.gz HBIPHYJHVFBHCV-CQSZACIVSA-N 1 1 365.861 3.408 20 5 FGBDMO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000598558854 507486724 /nfs/dbraw/zinc/48/67/24/507486724.db2.gz FKRKDRAVDMUMRE-HNNXBMFYSA-N 1 1 372.469 3.021 20 5 FGBDMO Cc1c(NC(=O)CC[N@@H+]2CC3(C[C@H]2C)CCOCC3)cccc1[N+](=O)[O-] ZINC000592185406 507527688 /nfs/dbraw/zinc/52/76/88/507527688.db2.gz YTKGYTZFXHEQFE-CQSZACIVSA-N 1 1 361.442 3.123 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000592187643 507529059 /nfs/dbraw/zinc/52/90/59/507529059.db2.gz NQAOWJYAYDWKGU-IBGZPJMESA-N 1 1 351.406 3.150 20 5 FGBDMO COc1cc(C[N@H+]2CCC=C(c3cn(C(C)C)nn3)CC2)ccc1[N+](=O)[O-] ZINC000595527542 507545368 /nfs/dbraw/zinc/54/53/68/507545368.db2.gz UZSIJSQDRYFSIO-UHFFFAOYSA-N 1 1 371.441 3.455 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@@H](c3ccccc3F)C1)OCCO2 ZINC000611271129 507595341 /nfs/dbraw/zinc/59/53/41/507595341.db2.gz ISVDEPUSYHZDLW-CYBMUJFWSA-N 1 1 358.369 3.495 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000585707252 507600108 /nfs/dbraw/zinc/60/01/08/507600108.db2.gz YNHSBGKORCRKCN-NSHDSACASA-N 1 1 360.241 3.060 20 5 FGBDMO Cc1noc(C[NH2+][C@]2(Cc3ccc(Cl)cc3)CCCOC2)c1[N+](=O)[O-] ZINC000595671060 507620033 /nfs/dbraw/zinc/62/00/33/507620033.db2.gz MMYZEWYWAVWARY-KRWDZBQOSA-N 1 1 365.817 3.426 20 5 FGBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000595699762 507635948 /nfs/dbraw/zinc/63/59/48/507635948.db2.gz AILXDCMRULBZJU-INIZCTEOSA-N 1 1 371.368 3.479 20 5 FGBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000595699762 507635951 /nfs/dbraw/zinc/63/59/51/507635951.db2.gz AILXDCMRULBZJU-INIZCTEOSA-N 1 1 371.368 3.479 20 5 FGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000595748911 507664791 /nfs/dbraw/zinc/66/47/91/507664791.db2.gz ZSXKAQBLMUHOIO-ZWKOTPCHSA-N 1 1 356.422 3.072 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000595788386 507684788 /nfs/dbraw/zinc/68/47/88/507684788.db2.gz MZUIGNFNGTZLAE-GOSISDBHSA-N 1 1 361.442 3.123 20 5 FGBDMO CCc1cc(N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611510261 507714578 /nfs/dbraw/zinc/71/45/78/507714578.db2.gz YLTBRMIOXICOOL-KDOFPFPSSA-N 1 1 367.453 3.145 20 5 FGBDMO COCCOC[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602487769 507723669 /nfs/dbraw/zinc/72/36/69/507723669.db2.gz UCJGSXSRLYEWBJ-LBPRGKRZSA-N 1 1 362.348 3.099 20 5 FGBDMO Cc1noc(C)c1[C@H](C)C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000611560879 507739860 /nfs/dbraw/zinc/73/98/60/507739860.db2.gz VYMOUWOYPIRLOI-KZULUSFZSA-N 1 1 369.425 3.416 20 5 FGBDMO CCO[C@@H]1C[C@@H]([NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000611560940 507740776 /nfs/dbraw/zinc/74/07/76/507740776.db2.gz PZFWMWDZGLKXJB-KZNAEPCWSA-N 1 1 370.453 3.355 20 5 FGBDMO C[N@H+]1CCC[C@H]2CN(Cc3ccc(Br)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000123024227 700699122 /nfs/dbraw/zinc/69/91/22/700699122.db2.gz YMUHJLVNSLVQHA-ZFWWWQNUSA-N 1 1 368.275 3.273 20 5 FGBDMO CCS[C@@H]1CCCC[N@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000153101375 704985393 /nfs/dbraw/zinc/98/53/93/704985393.db2.gz RYZODFRVKONLDF-CYBMUJFWSA-N 1 1 351.428 3.068 20 5 FGBDMO CCS[C@@H]1CCCC[N@@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000153101375 704985396 /nfs/dbraw/zinc/98/53/96/704985396.db2.gz RYZODFRVKONLDF-CYBMUJFWSA-N 1 1 351.428 3.068 20 5 FGBDMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000173487548 705461235 /nfs/dbraw/zinc/46/12/35/705461235.db2.gz FURIDQGSVZJCKN-JKSUJKDBSA-N 1 1 361.471 3.417 20 5 FGBDMO Cc1ncc(CC[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)s1 ZINC000780766646 724499276 /nfs/dbraw/zinc/49/92/76/724499276.db2.gz HPMDPQUIURJMBI-INIZCTEOSA-N 1 1 357.439 3.015 20 5 FGBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cccc([N+](=O)[O-])n3)C[C@H]21 ZINC001165022260 721805063 /nfs/dbraw/zinc/80/50/63/721805063.db2.gz IJWWHGRUFBIZDC-KBAYOESNSA-N 1 1 367.453 3.122 20 5 FGBDMO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000749264288 722722450 /nfs/dbraw/zinc/72/24/50/722722450.db2.gz YYKGXJIODJQQRV-MRXNPFEDSA-N 1 1 351.834 3.271 20 5 FGBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000750071486 722753614 /nfs/dbraw/zinc/75/36/14/722753614.db2.gz CIUPQHHFIWSGMT-CYBMUJFWSA-N 1 1 351.834 3.052 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCS[C@H]4CCCC[C@H]43)n2)c1 ZINC000753104984 722885327 /nfs/dbraw/zinc/88/53/27/722885327.db2.gz JWUPCNCQNCIIIW-CVEARBPZSA-N 1 1 359.455 3.171 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CCS[C@H]4CCCC[C@H]43)n2)c1 ZINC000753104984 722885329 /nfs/dbraw/zinc/88/53/29/722885329.db2.gz JWUPCNCQNCIIIW-CVEARBPZSA-N 1 1 359.455 3.171 20 5 FGBDMO CC[N@@H+](CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])CCC(F)(F)F ZINC000757611759 722977489 /nfs/dbraw/zinc/97/74/89/722977489.db2.gz IXBAPLHJTKKZJA-UHFFFAOYSA-N 1 1 367.755 3.252 20 5 FGBDMO C[N@H+](CCc1ccc(Cl)cc1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794629311 723536811 /nfs/dbraw/zinc/53/68/11/723536811.db2.gz UPDFJOHNEMWCHW-UHFFFAOYSA-N 1 1 361.785 3.288 20 5 FGBDMO C[N@@H+](CCc1ccc(Cl)cc1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794629311 723536813 /nfs/dbraw/zinc/53/68/13/723536813.db2.gz UPDFJOHNEMWCHW-UHFFFAOYSA-N 1 1 361.785 3.288 20 5 FGBDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000795130333 723566127 /nfs/dbraw/zinc/56/61/27/723566127.db2.gz KVFLNWCDVLAXFV-KGLIPLIRSA-N 1 1 367.471 3.488 20 5 FGBDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000795130333 723566129 /nfs/dbraw/zinc/56/61/29/723566129.db2.gz KVFLNWCDVLAXFV-KGLIPLIRSA-N 1 1 367.471 3.488 20 5 FGBDMO CC[N@@H+](CC(C)C)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795406928 723588609 /nfs/dbraw/zinc/58/86/09/723588609.db2.gz SAKCYJXSFQSTFZ-UHFFFAOYSA-N 1 1 370.247 3.249 20 5 FGBDMO CN(Cc1c(Br)cccc1[N+](=O)[O-])C[C@H]1CCC[N@@H+](C)C1 ZINC000768546059 723661428 /nfs/dbraw/zinc/66/14/28/723661428.db2.gz HRXNTORJULYALU-LBPRGKRZSA-N 1 1 356.264 3.131 20 5 FGBDMO Cc1cnc(CC[N@H+](C)Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)s1 ZINC000774640294 723913757 /nfs/dbraw/zinc/91/37/57/723913757.db2.gz QCCCIIYHMKUPBF-UHFFFAOYSA-N 1 1 365.846 3.495 20 5 FGBDMO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CC[C@@H](c4ccccn4)C3)c2c(Cl)c1 ZINC000799158473 723993136 /nfs/dbraw/zinc/99/31/36/723993136.db2.gz MJCSIOWSXPWYEW-GFCCVEGCSA-N 1 1 357.801 3.440 20 5 FGBDMO O=[N+]([O-])c1cc2cnn(C[N@H+]3CC[C@@H](c4ccccn4)C3)c2c(Cl)c1 ZINC000799158473 723993138 /nfs/dbraw/zinc/99/31/38/723993138.db2.gz MJCSIOWSXPWYEW-GFCCVEGCSA-N 1 1 357.801 3.440 20 5 FGBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@H](Oc3ccccc3Cl)C2)cc1 ZINC000776591645 724162762 /nfs/dbraw/zinc/16/27/62/724162762.db2.gz RXAWYMKEUUTRCU-DOTOQJQBSA-N 1 1 362.813 3.435 20 5 FGBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809911329 725275493 /nfs/dbraw/zinc/27/54/93/725275493.db2.gz LREUXNLIPGGCCV-NWDGAFQWSA-N 1 1 354.838 3.490 20 5 FGBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000809920472 725276172 /nfs/dbraw/zinc/27/61/72/725276172.db2.gz SOCFMZPLYRBPOB-GFCCVEGCSA-N 1 1 354.838 3.348 20 5 FGBDMO C[N@H+](Cc1csc([N+](=O)[O-])c1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000812835475 726817158 /nfs/dbraw/zinc/81/71/58/726817158.db2.gz RMILRIPNEKOJJQ-CYBMUJFWSA-N 1 1 355.460 3.391 20 5 FGBDMO C[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000812835475 726817159 /nfs/dbraw/zinc/81/71/59/726817159.db2.gz RMILRIPNEKOJJQ-CYBMUJFWSA-N 1 1 355.460 3.391 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)c1F ZINC000822059964 729143706 /nfs/dbraw/zinc/14/37/06/729143706.db2.gz XQHBJICCIPZDND-CMPLNLGQSA-N 1 1 355.385 3.032 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)ccc1Br ZINC000825133248 729372261 /nfs/dbraw/zinc/37/22/61/729372261.db2.gz ALSPBILGMYNRNM-OAHLLOKOSA-N 1 1 355.232 3.360 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@]3(CCOC3)C2)ccc1Br ZINC000825133248 729372262 /nfs/dbraw/zinc/37/22/62/729372262.db2.gz ALSPBILGMYNRNM-OAHLLOKOSA-N 1 1 355.232 3.360 20 5 FGBDMO Cc1cc(Cl)c(C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000826570295 729409741 /nfs/dbraw/zinc/40/97/41/729409741.db2.gz YCYYHSMKAMCNSX-AWEZNQCLSA-N 1 1 365.861 3.361 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000827452119 729430431 /nfs/dbraw/zinc/43/04/31/729430431.db2.gz OYERPZCKHDOUCZ-NVXWUHKLSA-N 1 1 359.813 3.423 20 5 FGBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC000836779892 729969733 /nfs/dbraw/zinc/96/97/33/729969733.db2.gz UZFCCMNAYVTQHZ-UHFFFAOYSA-N 1 1 350.806 3.224 20 5 FGBDMO O=C(CC[N@H+]1CCSC[C@H]1C1CCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000842170280 730304436 /nfs/dbraw/zinc/30/44/36/730304436.db2.gz CZCTVNOPTOHMHN-INIZCTEOSA-N 1 1 367.446 3.280 20 5 FGBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000843774182 730653703 /nfs/dbraw/zinc/65/37/03/730653703.db2.gz IOWUSBFIYQCNMC-GFCCVEGCSA-N 1 1 351.422 3.283 20 5 FGBDMO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000844910849 730788188 /nfs/dbraw/zinc/78/81/88/730788188.db2.gz KJBPPLCRANKTQF-XOKHGSTOSA-N 1 1 353.850 3.109 20 5 FGBDMO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000847255345 731040749 /nfs/dbraw/zinc/04/07/49/731040749.db2.gz KJQLPRSELTYDHW-LSDHHAIUSA-N 1 1 369.824 3.063 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2C[C@H](O)c3ccccc32)c1 ZINC000850371424 731349637 /nfs/dbraw/zinc/34/96/37/731349637.db2.gz JNQFNDIKBOLUEK-CABCVRRESA-N 1 1 350.321 3.464 20 5 FGBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000852314450 731569487 /nfs/dbraw/zinc/56/94/87/731569487.db2.gz SYEWFULDGASJJA-SNVBAGLBSA-N 1 1 356.213 3.015 20 5 FGBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000852314450 731569488 /nfs/dbraw/zinc/56/94/88/731569488.db2.gz SYEWFULDGASJJA-SNVBAGLBSA-N 1 1 356.213 3.015 20 5 FGBDMO O=[N+]([O-])c1ccc(NC(=S)NC[C@@H]2CC[N@H+]2Cc2ccccc2)cc1 ZINC000853049141 731656334 /nfs/dbraw/zinc/65/63/34/731656334.db2.gz VEFGVNPKKWIZHB-KRWDZBQOSA-N 1 1 356.451 3.156 20 5 FGBDMO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000856476990 732031884 /nfs/dbraw/zinc/03/18/84/732031884.db2.gz KPHUMUYYGBBRFV-ZDUSSCGKSA-N 1 1 351.834 3.100 20 5 FGBDMO CO[C@@H]1C[N@@H+](C)[C@@](C)(COC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000861341115 732667151 /nfs/dbraw/zinc/66/71/51/732667151.db2.gz NMHKUXKDROYGDR-SUMWQHHRSA-N 1 1 364.423 3.076 20 5 FGBDMO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC[N@H+](C2CCC2)C1 ZINC000861812858 732735206 /nfs/dbraw/zinc/73/52/06/732735206.db2.gz KQLGNMOZDDENNL-LBPRGKRZSA-N 1 1 351.834 3.195 20 5 FGBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)c1cccc([N+](=O)[O-])c1Cl ZINC000862629748 732858549 /nfs/dbraw/zinc/85/85/49/732858549.db2.gz QXIBTIWTXPYJSE-ZDUSSCGKSA-N 1 1 351.834 3.385 20 5 FGBDMO C[C@H](c1ccsc1)[NH+]1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865679590 733250798 /nfs/dbraw/zinc/25/07/98/733250798.db2.gz ALLFGEQEKLYINC-GFCCVEGCSA-N 1 1 365.430 3.171 20 5 FGBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCN(C(C)(C)C)C1=O ZINC000872081444 735586292 /nfs/dbraw/zinc/58/62/92/735586292.db2.gz HBUHLYQJGVZHHM-RISCZKNCSA-N 1 1 351.472 3.367 20 5 FGBDMO CC(C)(O)[C@@H]1CCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000877796831 736723426 /nfs/dbraw/zinc/72/34/26/736723426.db2.gz VHANRVTTZRLKDX-GFCCVEGCSA-N 1 1 357.248 3.340 20 5 FGBDMO CC(C)(O)[C@@H]1CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000877796831 736723430 /nfs/dbraw/zinc/72/34/30/736723430.db2.gz VHANRVTTZRLKDX-GFCCVEGCSA-N 1 1 357.248 3.340 20 5 FGBDMO CO[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)[C@H](C)C1 ZINC000878554706 736886618 /nfs/dbraw/zinc/88/66/18/736886618.db2.gz HVFNCASMYHMPAU-ZYHUDNBSSA-N 1 1 366.805 3.298 20 5 FGBDMO CO[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)[C@H](C)C1 ZINC000878554706 736886620 /nfs/dbraw/zinc/88/66/20/736886620.db2.gz HVFNCASMYHMPAU-ZYHUDNBSSA-N 1 1 366.805 3.298 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@@H](c4nccs4)C3)n2)cc1 ZINC000880318668 737153415 /nfs/dbraw/zinc/15/34/15/737153415.db2.gz KLQFRAKWIOCMEK-GFCCVEGCSA-N 1 1 357.395 3.091 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@@H](c4nccs4)C3)n2)cc1 ZINC000880318668 737153418 /nfs/dbraw/zinc/15/34/18/737153418.db2.gz KLQFRAKWIOCMEK-GFCCVEGCSA-N 1 1 357.395 3.091 20 5 FGBDMO Cn1cc2c(n1)CCC[C@H]2[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000883295610 737548422 /nfs/dbraw/zinc/54/84/22/737548422.db2.gz NDGQXNYWKDYPAM-CYBMUJFWSA-N 1 1 365.231 3.258 20 5 FGBDMO O=[N+]([O-])c1ncccc1C[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000886190399 739227528 /nfs/dbraw/zinc/22/75/28/739227528.db2.gz PBEQIFGYDPSIQX-CYBMUJFWSA-N 1 1 364.199 3.366 20 5 FGBDMO O=[N+]([O-])c1cccc(C[N@@H+](C2CC2)[C@@H]2CCC3(C[C@@H]2F)OCCO3)c1 ZINC000891622618 739921704 /nfs/dbraw/zinc/92/17/04/739921704.db2.gz HVLHFHFDLBZLEW-DLBZAZTESA-N 1 1 350.390 3.193 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@@H+](C2CC2)[C@H]2CCC3(C[C@H]2F)OCCO3)cc1 ZINC000891623866 739922057 /nfs/dbraw/zinc/92/20/57/739922057.db2.gz PZYZYSPZCDOIOW-SJORKVTESA-N 1 1 350.390 3.193 20 5 FGBDMO COc1c(O)ccc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c1[N+](=O)[O-] ZINC000894295813 742264262 /nfs/dbraw/zinc/26/42/62/742264262.db2.gz SRNSIPYMBVQGQF-RISCZKNCSA-N 1 1 361.225 3.325 20 5 FGBDMO COc1c(O)ccc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c1[N+](=O)[O-] ZINC000894295813 742264265 /nfs/dbraw/zinc/26/42/65/742264265.db2.gz SRNSIPYMBVQGQF-RISCZKNCSA-N 1 1 361.225 3.325 20 5 FGBDMO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@H+]2C2CCOCC2)c(C(F)(F)F)c1 ZINC000896518066 742561104 /nfs/dbraw/zinc/56/11/04/742561104.db2.gz LHISJZJHWITYON-ZDUSSCGKSA-N 1 1 359.348 3.279 20 5 FGBDMO O=[N+]([O-])c1c(Br)cccc1NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000896520965 742561492 /nfs/dbraw/zinc/56/14/92/742561492.db2.gz APZLLAFNARBFMO-GFCCVEGCSA-N 1 1 370.247 3.023 20 5 FGBDMO Cc1nc(CC2CC[NH+](Cc3ccc([N+](=O)[O-])c(Cl)c3)CC2)no1 ZINC000896552097 742564508 /nfs/dbraw/zinc/56/45/08/742564508.db2.gz UTOKKQMQMZEFBI-UHFFFAOYSA-N 1 1 350.806 3.394 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cn(C)nc1Br ZINC000903188582 743819496 /nfs/dbraw/zinc/81/94/96/743819496.db2.gz GRUXKJNICRWIBS-JTQLQIEISA-N 1 1 353.220 3.250 20 5 FGBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000906337414 744117777 /nfs/dbraw/zinc/11/77/77/744117777.db2.gz IZUOONFUZIPIPI-LBPRGKRZSA-N 1 1 364.833 3.138 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(CSC)CC1 ZINC000932589995 761196329 /nfs/dbraw/zinc/19/63/29/761196329.db2.gz RZBRMOQWCQMFQC-LBPRGKRZSA-N 1 1 367.471 3.005 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000933440090 761390354 /nfs/dbraw/zinc/39/03/54/761390354.db2.gz XTQULVIMLOAOLP-CJNGLKHVSA-N 1 1 367.877 3.370 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@H](Cc3nccs3)C2)c([N+](=O)[O-])cc1F ZINC000934333502 761597677 /nfs/dbraw/zinc/59/76/77/761597677.db2.gz PISYRGWFPNRJEG-LLVKDONJSA-N 1 1 351.403 3.264 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@H](Cc3nccs3)C2)c([N+](=O)[O-])cc1F ZINC000934333502 761597679 /nfs/dbraw/zinc/59/76/79/761597679.db2.gz PISYRGWFPNRJEG-LLVKDONJSA-N 1 1 351.403 3.264 20 5 FGBDMO C[C@@](CO)([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000934496232 761637476 /nfs/dbraw/zinc/63/74/76/761637476.db2.gz TZHDJPCTERSCKD-INIZCTEOSA-N 1 1 365.227 3.355 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N=c2[nH]c3c(s2)C[N@H+](C)CC3)c1 ZINC000023609464 539716689 /nfs/dbraw/zinc/71/66/89/539716689.db2.gz BFFHHXBVJANIHA-UHFFFAOYSA-N 1 1 364.452 3.013 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N=c2[nH]c3c(s2)C[N@@H+](C)CC3)c1 ZINC000023609464 539716691 /nfs/dbraw/zinc/71/66/91/539716691.db2.gz BFFHHXBVJANIHA-UHFFFAOYSA-N 1 1 364.452 3.013 20 5 FGBDMO Cn1c[nH+]cc1CCNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000302143814 257385073 /nfs/dbraw/zinc/38/50/73/257385073.db2.gz KESGDOJHKZJQPE-UHFFFAOYSA-N 1 1 350.378 3.214 20 5 FGBDMO C[C@@H](C1CC1)[N@@H+](Cc1ccccc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000029843435 493861477 /nfs/dbraw/zinc/86/14/77/493861477.db2.gz CZPLRRJBBVCHFF-AWEZNQCLSA-N 1 1 353.422 3.494 20 5 FGBDMO CCC[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000030269296 493883469 /nfs/dbraw/zinc/88/34/69/493883469.db2.gz NQUSJHDMPLEZHN-SNVBAGLBSA-N 1 1 358.236 3.416 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000076388060 493880714 /nfs/dbraw/zinc/88/07/14/493880714.db2.gz RPQYPBCPTJSFSN-QGZVFWFLSA-N 1 1 367.449 3.260 20 5 FGBDMO CN(C(=O)C[NH2+]C1(c2nccs2)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000081577919 493922168 /nfs/dbraw/zinc/92/21/68/493922168.db2.gz VLBKQRJHLKFZPI-UHFFFAOYSA-N 1 1 360.439 3.073 20 5 FGBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000050629132 493925440 /nfs/dbraw/zinc/92/54/40/493925440.db2.gz FWCVSRFELGWDIK-ZDUSSCGKSA-N 1 1 374.466 3.180 20 5 FGBDMO O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1C[NH+]1CCSCC1 ZINC000061285495 493971900 /nfs/dbraw/zinc/97/19/00/493971900.db2.gz VWMFCNASWUIKIV-UHFFFAOYSA-N 1 1 371.462 3.325 20 5 FGBDMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083169282 494001653 /nfs/dbraw/zinc/00/16/53/494001653.db2.gz GMTOGCVIOIOTMH-UONOGXRCSA-N 1 1 374.441 3.253 20 5 FGBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000062231507 494006779 /nfs/dbraw/zinc/00/67/79/494006779.db2.gz GXWJUWXRGNVRJJ-IBGZPJMESA-N 1 1 367.449 3.166 20 5 FGBDMO Cn1c2ccccc2nc1C[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000083242995 494012725 /nfs/dbraw/zinc/01/27/25/494012725.db2.gz QLKHEARZIGUFLX-UHFFFAOYSA-N 1 1 354.410 3.382 20 5 FGBDMO Cn1c2ccccc2nc1C[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000083242995 494012730 /nfs/dbraw/zinc/01/27/30/494012730.db2.gz QLKHEARZIGUFLX-UHFFFAOYSA-N 1 1 354.410 3.382 20 5 FGBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCCc2ccccc21 ZINC000032770000 494014607 /nfs/dbraw/zinc/01/46/07/494014607.db2.gz HQTBGMLOBRGJKB-FXAWDEMLSA-N 1 1 356.422 3.344 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+](Cc2ccccc2F)C2CC2)c1 ZINC000032775587 494015243 /nfs/dbraw/zinc/01/52/43/494015243.db2.gz RUMPHQGDXJYZKW-KRWDZBQOSA-N 1 1 360.385 3.138 20 5 FGBDMO CCc1nc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cs1 ZINC000063603922 494069753 /nfs/dbraw/zinc/06/97/53/494069753.db2.gz KPZKUGVPRUJXNN-UHFFFAOYSA-N 1 1 362.455 3.383 20 5 FGBDMO CCc1nc(C[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cs1 ZINC000063603922 494069756 /nfs/dbraw/zinc/06/97/56/494069756.db2.gz KPZKUGVPRUJXNN-UHFFFAOYSA-N 1 1 362.455 3.383 20 5 FGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000008351494 494085927 /nfs/dbraw/zinc/08/59/27/494085927.db2.gz GWISBSZIYIWIIU-LSDHHAIUSA-N 1 1 365.499 3.456 20 5 FGBDMO COc1cccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000008492558 494093021 /nfs/dbraw/zinc/09/30/21/494093021.db2.gz MAAIZINJVMOERS-ZDUSSCGKSA-N 1 1 373.409 3.071 20 5 FGBDMO COc1cccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000008492558 494093024 /nfs/dbraw/zinc/09/30/24/494093024.db2.gz MAAIZINJVMOERS-ZDUSSCGKSA-N 1 1 373.409 3.071 20 5 FGBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000008532315 494096177 /nfs/dbraw/zinc/09/61/77/494096177.db2.gz LUCPIXUAZBYFAU-GFCCVEGCSA-N 1 1 361.373 3.202 20 5 FGBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000008532315 494096180 /nfs/dbraw/zinc/09/61/80/494096180.db2.gz LUCPIXUAZBYFAU-GFCCVEGCSA-N 1 1 361.373 3.202 20 5 FGBDMO CC(C)[N@H+](CC(=O)NC(=O)Nc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350176 494116512 /nfs/dbraw/zinc/11/65/12/494116512.db2.gz FADCQQPUYHTAHJ-UHFFFAOYSA-N 1 1 370.409 3.154 20 5 FGBDMO CC(C)[N@@H+](CC(=O)NC(=O)Nc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350176 494116514 /nfs/dbraw/zinc/11/65/14/494116514.db2.gz FADCQQPUYHTAHJ-UHFFFAOYSA-N 1 1 370.409 3.154 20 5 FGBDMO Cc1ccccc1C[NH+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000087002728 494161350 /nfs/dbraw/zinc/16/13/50/494161350.db2.gz FGXHQCVJPPRMMX-UHFFFAOYSA-N 1 1 367.449 3.180 20 5 FGBDMO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1Cl ZINC000054056580 494190378 /nfs/dbraw/zinc/19/03/78/494190378.db2.gz CUMNTHKCIIBELF-INIZCTEOSA-N 1 1 365.792 3.420 20 5 FGBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000065421064 494195696 /nfs/dbraw/zinc/19/56/96/494195696.db2.gz QSAWLPNLIFSAIC-AWEZNQCLSA-N 1 1 374.485 3.409 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)c1 ZINC000065951584 494261542 /nfs/dbraw/zinc/26/15/42/494261542.db2.gz UVTLSTUAMICRHL-RXVVDRJESA-N 1 1 368.433 3.486 20 5 FGBDMO CC[N@H+](C)C[C@H]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000072860043 494268822 /nfs/dbraw/zinc/26/88/22/494268822.db2.gz ODJDORQJYNTFKG-OAHLLOKOSA-N 1 1 358.442 3.066 20 5 FGBDMO CC[N@@H+](C)C[C@H]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000072860043 494268825 /nfs/dbraw/zinc/26/88/25/494268825.db2.gz ODJDORQJYNTFKG-OAHLLOKOSA-N 1 1 358.442 3.066 20 5 FGBDMO Cc1c(NC(=O)NCCC[N@H+]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000043347020 494290384 /nfs/dbraw/zinc/29/03/84/494290384.db2.gz LBLASDREDFYLRI-UHFFFAOYSA-N 1 1 368.437 3.473 20 5 FGBDMO CC(C)NC(=O)c1ccc(N(C)CC[C@@H]2CCCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000078455777 494298250 /nfs/dbraw/zinc/29/82/50/494298250.db2.gz XPJPJUNQCDMYOC-INIZCTEOSA-N 1 1 362.474 3.044 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CCC[N@@H+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000073109738 494323406 /nfs/dbraw/zinc/32/34/06/494323406.db2.gz FCLBOLQMZZMYOS-UHFFFAOYSA-N 1 1 356.382 3.215 20 5 FGBDMO Cc1cccn2c(=O)cc(C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C(C)C)nc12 ZINC000066434526 494334354 /nfs/dbraw/zinc/33/43/54/494334354.db2.gz TZPJQMJLLFBLPY-UHFFFAOYSA-N 1 1 366.421 3.322 20 5 FGBDMO CC[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000044492200 494361242 /nfs/dbraw/zinc/36/12/42/494361242.db2.gz LQDKCEIPMPZMCG-INIZCTEOSA-N 1 1 359.451 3.223 20 5 FGBDMO CCOC(=O)[C@@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089882811 494391101 /nfs/dbraw/zinc/39/11/01/494391101.db2.gz HZBVOWYGCLJEPW-CQSZACIVSA-N 1 1 359.382 3.025 20 5 FGBDMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089882811 494391103 /nfs/dbraw/zinc/39/11/03/494391103.db2.gz HZBVOWYGCLJEPW-CQSZACIVSA-N 1 1 359.382 3.025 20 5 FGBDMO Cc1c(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000571375862 505718361 /nfs/dbraw/zinc/71/83/61/505718361.db2.gz IVAMXVFAGRHVKO-VQIMIIECSA-N 1 1 372.469 3.062 20 5 FGBDMO CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](C)Cc1ccc(OC)cc1 ZINC000066885676 494431954 /nfs/dbraw/zinc/43/19/54/494431954.db2.gz HPYHUVYHXGNFHE-OAHLLOKOSA-N 1 1 371.437 3.495 20 5 FGBDMO COC(=O)c1cc(C[N@@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)oc1C ZINC000056268100 494479785 /nfs/dbraw/zinc/47/97/85/494479785.db2.gz IHFXBPADJGLYHA-UHFFFAOYSA-N 1 1 362.382 3.184 20 5 FGBDMO CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000056331974 494487019 /nfs/dbraw/zinc/48/70/19/494487019.db2.gz GHOVQCAUHLPALB-GOSISDBHSA-N 1 1 370.453 3.126 20 5 FGBDMO CCOc1ccc(C(=O)Nc2cccnc2-n2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000047174401 494647636 /nfs/dbraw/zinc/64/76/36/494647636.db2.gz BEFHQFXKIFDNOE-UHFFFAOYSA-N 1 1 367.365 3.135 20 5 FGBDMO C[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000024746512 494659741 /nfs/dbraw/zinc/65/97/41/494659741.db2.gz PYXACYBHSJREQI-CQSZACIVSA-N 1 1 354.410 3.163 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](C)c1ccncc1 ZINC000091986075 494745735 /nfs/dbraw/zinc/74/57/35/494745735.db2.gz AHPAUZDMYPPRFC-CYBMUJFWSA-N 1 1 358.398 3.020 20 5 FGBDMO CC[C@H](c1ccncc1)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000091992977 494748252 /nfs/dbraw/zinc/74/82/52/494748252.db2.gz MDPDPNFXXAJTKM-QGZVFWFLSA-N 1 1 372.425 3.410 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCO[C@H](c4ccco4)C3)o2)c1 ZINC000121464028 494768803 /nfs/dbraw/zinc/76/88/03/494768803.db2.gz LCGOQBCATJRADX-SFHVURJKSA-N 1 1 369.377 3.459 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCO[C@H](c4ccco4)C3)o2)c1 ZINC000121464028 494768807 /nfs/dbraw/zinc/76/88/07/494768807.db2.gz LCGOQBCATJRADX-SFHVURJKSA-N 1 1 369.377 3.459 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000126541496 494783636 /nfs/dbraw/zinc/78/36/36/494783636.db2.gz FNCULOMZZPCITM-SJCJKPOMSA-N 1 1 363.845 3.337 20 5 FGBDMO COc1ccc(NC(=O)CC[N@@H+](C)Cc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000026223894 494810873 /nfs/dbraw/zinc/81/08/73/494810873.db2.gz FTCZMPKUGLIWGZ-UHFFFAOYSA-N 1 1 361.373 3.203 20 5 FGBDMO Cc1ccc(OCC[N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000026336933 494819171 /nfs/dbraw/zinc/81/91/71/494819171.db2.gz FDIUTXPRJHLPFH-UHFFFAOYSA-N 1 1 357.410 3.243 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000132162754 494831921 /nfs/dbraw/zinc/83/19/21/494831921.db2.gz AXKGTAMQFVKCSJ-SJORKVTESA-N 1 1 369.421 3.315 20 5 FGBDMO Cc1cccc(N2CCC(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)CC2)[nH+]1 ZINC000116670141 494835438 /nfs/dbraw/zinc/83/54/38/494835438.db2.gz NNDYAIXFIIMIJJ-CMDGGOBGSA-N 1 1 366.421 3.097 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cccc(F)c3Cl)C2)nc1 ZINC000093193620 494840874 /nfs/dbraw/zinc/84/08/74/494840874.db2.gz SHUQXPNCCHOIBF-GFCCVEGCSA-N 1 1 350.781 3.469 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cccc(F)c3Cl)C2)nc1 ZINC000093193620 494840876 /nfs/dbraw/zinc/84/08/76/494840876.db2.gz SHUQXPNCCHOIBF-GFCCVEGCSA-N 1 1 350.781 3.469 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116727765 494844358 /nfs/dbraw/zinc/84/43/58/494844358.db2.gz SZSRZEOHICOBHZ-ZDUSSCGKSA-N 1 1 369.849 3.008 20 5 FGBDMO CC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1cccc(F)c1 ZINC000027227503 494857791 /nfs/dbraw/zinc/85/77/91/494857791.db2.gz LAKDRMJSNSHNDQ-UHFFFAOYSA-N 1 1 357.385 3.145 20 5 FGBDMO CC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1cccc(F)c1 ZINC000027227503 494857795 /nfs/dbraw/zinc/85/77/95/494857795.db2.gz LAKDRMJSNSHNDQ-UHFFFAOYSA-N 1 1 357.385 3.145 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cc(-c4ccccc4)n[nH]3)C2)nc1 ZINC000093534923 494898318 /nfs/dbraw/zinc/89/83/18/494898318.db2.gz FUNORPLZTBHIID-OAHLLOKOSA-N 1 1 364.409 3.066 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cc(-c4ccccc4)n[nH]3)C2)nc1 ZINC000093534923 494898322 /nfs/dbraw/zinc/89/83/22/494898322.db2.gz FUNORPLZTBHIID-OAHLLOKOSA-N 1 1 364.409 3.066 20 5 FGBDMO COc1ccc2oc(C[N@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)cc2c1 ZINC000093534912 494899137 /nfs/dbraw/zinc/89/91/37/494899137.db2.gz LTEGUONSOVDMBC-CQSZACIVSA-N 1 1 368.393 3.431 20 5 FGBDMO COC(=O)c1ccc(N2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3)[C@@H](C)C2)cc1 ZINC000109957096 494934160 /nfs/dbraw/zinc/93/41/60/494934160.db2.gz JBAQMNKNDPONCP-HNNXBMFYSA-N 1 1 369.421 3.092 20 5 FGBDMO COC(=O)c1ccc(N2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)[C@@H](C)C2)cc1 ZINC000109957096 494934163 /nfs/dbraw/zinc/93/41/63/494934163.db2.gz JBAQMNKNDPONCP-HNNXBMFYSA-N 1 1 369.421 3.092 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCSc3ccc(F)cc3)C2)nc1 ZINC000122266770 494949366 /nfs/dbraw/zinc/94/93/66/494949366.db2.gz PUAQWSSIMTYGKV-AWEZNQCLSA-N 1 1 362.430 3.407 20 5 FGBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000122603055 495002123 /nfs/dbraw/zinc/00/21/23/495002123.db2.gz LMFRBZRJTOLFOX-MRXNPFEDSA-N 1 1 374.485 3.175 20 5 FGBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000122663006 495012286 /nfs/dbraw/zinc/01/22/86/495012286.db2.gz XJVTZJONEBVOID-INIZCTEOSA-N 1 1 359.451 3.376 20 5 FGBDMO COc1cc(C(=O)NCc2cccc(C[N@@H+](C)C(C)C)c2)ccc1[N+](=O)[O-] ZINC000110871823 495016037 /nfs/dbraw/zinc/01/60/37/495016037.db2.gz UARBWIVMOFBULU-UHFFFAOYSA-N 1 1 371.437 3.374 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@H]3CCCC[C@H]3n3cccn3)n2)cc1 ZINC000128153711 495053263 /nfs/dbraw/zinc/05/32/63/495053263.db2.gz DOKAIRLKQZNKRO-JKSUJKDBSA-N 1 1 368.397 3.115 20 5 FGBDMO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1c(Cl)cccc1[N+](=O)[O-])CC2 ZINC000119221339 495120052 /nfs/dbraw/zinc/12/00/52/495120052.db2.gz MMXXOWRENRLNOB-HZPDHXFCSA-N 1 1 354.834 3.000 20 5 FGBDMO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1c(Cl)cccc1[N+](=O)[O-])CC2 ZINC000119221102 495120458 /nfs/dbraw/zinc/12/04/58/495120458.db2.gz MMXXOWRENRLNOB-JKSUJKDBSA-N 1 1 354.834 3.000 20 5 FGBDMO CC1(C)C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000134275136 495129398 /nfs/dbraw/zinc/12/93/98/495129398.db2.gz ICBHRMVCOJKPOG-KRWDZBQOSA-N 1 1 353.422 3.319 20 5 FGBDMO CCS[C@H]1CCCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000112089989 495143463 /nfs/dbraw/zinc/14/34/63/495143463.db2.gz KVMWRIASXXKJRN-INIZCTEOSA-N 1 1 351.472 3.165 20 5 FGBDMO CS[C@@H]1CCCC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000134556092 495167937 /nfs/dbraw/zinc/16/79/37/495167937.db2.gz WBQQWDBJXROJDL-CQSZACIVSA-N 1 1 351.472 3.449 20 5 FGBDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000112918604 495256975 /nfs/dbraw/zinc/25/69/75/495256975.db2.gz YDZGXHYTKVGMSI-UHFFFAOYSA-N 1 1 351.422 3.318 20 5 FGBDMO COc1ccccc1CC[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000104710812 495299238 /nfs/dbraw/zinc/29/92/38/495299238.db2.gz FGKLHOIGXCNVAT-UHFFFAOYSA-N 1 1 358.394 3.144 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000120140158 495314237 /nfs/dbraw/zinc/31/42/37/495314237.db2.gz XTPWFLIDXDZFME-USXIJHARSA-N 1 1 360.458 3.090 20 5 FGBDMO C[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccc([N+](=O)[O-])cc1Cl ZINC000120229201 495331833 /nfs/dbraw/zinc/33/18/33/495331833.db2.gz MHTHIIJKCUJJIA-OAHLLOKOSA-N 1 1 350.802 3.120 20 5 FGBDMO CC[C@H](c1ccncc1)[N@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000130098862 495341431 /nfs/dbraw/zinc/34/14/31/495341431.db2.gz JOHBHXREKBTDPC-MRXNPFEDSA-N 1 1 358.398 3.020 20 5 FGBDMO CC[C@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000130098862 495341434 /nfs/dbraw/zinc/34/14/34/495341434.db2.gz JOHBHXREKBTDPC-MRXNPFEDSA-N 1 1 358.398 3.020 20 5 FGBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC[N@H+]1C ZINC000124804246 495345717 /nfs/dbraw/zinc/34/57/17/495345717.db2.gz TYJRSPDMKOGFSK-CVEARBPZSA-N 1 1 374.485 3.140 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000136027138 495350634 /nfs/dbraw/zinc/35/06/34/495350634.db2.gz MJFYTWOFCHHYLB-CYBMUJFWSA-N 1 1 351.472 3.311 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@H]1CCc2ccccc2C1 ZINC000114489297 495383556 /nfs/dbraw/zinc/38/35/56/495383556.db2.gz KZISBPIFRLBIOM-KRWDZBQOSA-N 1 1 353.422 3.331 20 5 FGBDMO O=C(C[N@@H+]1CCC[C@@]2(CC=CCC2)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000114494805 495385014 /nfs/dbraw/zinc/38/50/14/495385014.db2.gz IJNMTUSYPHRDDA-IBGZPJMESA-N 1 1 373.409 3.084 20 5 FGBDMO O=C(C[N@H+]1CCC[C@@]2(CC=CCC2)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000114494805 495385019 /nfs/dbraw/zinc/38/50/19/495385019.db2.gz IJNMTUSYPHRDDA-IBGZPJMESA-N 1 1 373.409 3.084 20 5 FGBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000114784501 495424724 /nfs/dbraw/zinc/42/47/24/495424724.db2.gz HEBDMUVQJLJYHA-LJQANCHMSA-N 1 1 368.437 3.059 20 5 FGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)CCC1CCOCC1 ZINC000120698808 495437492 /nfs/dbraw/zinc/43/74/92/495437492.db2.gz XGHYHVHDUBQJNE-ZDUSSCGKSA-N 1 1 360.414 3.454 20 5 FGBDMO COc1ccc(NC(=O)C[N@@H+]2C[C@@H](c3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000115552079 495515325 /nfs/dbraw/zinc/51/53/25/495515325.db2.gz OARYTBKLKCCMQN-ZBFHGGJFSA-N 1 1 369.421 3.420 20 5 FGBDMO COc1ccc(NC(=O)C[N@H+]2C[C@@H](c3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000115552079 495515330 /nfs/dbraw/zinc/51/53/30/495515330.db2.gz OARYTBKLKCCMQN-ZBFHGGJFSA-N 1 1 369.421 3.420 20 5 FGBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000182444656 495566495 /nfs/dbraw/zinc/56/64/95/495566495.db2.gz UHTNLQXXWKFEEI-ZDUSSCGKSA-N 1 1 369.874 3.037 20 5 FGBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[N@H+]2CCCC[C@H]2C1 ZINC000182444656 495566496 /nfs/dbraw/zinc/56/64/96/495566496.db2.gz UHTNLQXXWKFEEI-ZDUSSCGKSA-N 1 1 369.874 3.037 20 5 FGBDMO Cc1ncc(C[N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)s1 ZINC000179380715 495568276 /nfs/dbraw/zinc/56/82/76/495568276.db2.gz YWQKKDQKDHIUSX-UHFFFAOYSA-N 1 1 357.439 3.392 20 5 FGBDMO Cc1ncc(C[N@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)s1 ZINC000179380715 495568283 /nfs/dbraw/zinc/56/82/83/495568283.db2.gz YWQKKDQKDHIUSX-UHFFFAOYSA-N 1 1 357.439 3.392 20 5 FGBDMO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1Cc1ccccc1 ZINC000173524900 495574001 /nfs/dbraw/zinc/57/40/01/495574001.db2.gz PESLYPHQAMWHMZ-OAHLLOKOSA-N 1 1 371.412 3.471 20 5 FGBDMO CCOC(=O)C[C@H](C)[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000182657978 495651503 /nfs/dbraw/zinc/65/15/03/495651503.db2.gz XGTAEUJAGFPDRZ-ZDUSSCGKSA-N 1 1 361.398 3.066 20 5 FGBDMO CCS[C@H]1CC[C@@H]([N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000173871622 495726738 /nfs/dbraw/zinc/72/67/38/495726738.db2.gz JPUTWDXIDSEUCI-ZBFHGGJFSA-N 1 1 363.483 3.090 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000154963855 495786835 /nfs/dbraw/zinc/78/68/35/495786835.db2.gz CWUGOXQADKGHCD-CQSZACIVSA-N 1 1 351.472 3.311 20 5 FGBDMO COc1ccc(F)cc1[C@H](C)[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000179937693 495791722 /nfs/dbraw/zinc/79/17/22/495791722.db2.gz OKNSQLIOXVXABD-LBPRGKRZSA-N 1 1 361.373 3.340 20 5 FGBDMO COc1ccc(F)cc1[C@@H](C)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000179944362 495795097 /nfs/dbraw/zinc/79/50/97/495795097.db2.gz LSBROEMRNCNCQQ-GFCCVEGCSA-N 1 1 361.373 3.056 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](CCc1nccs1)C(C)C ZINC000159736638 495797181 /nfs/dbraw/zinc/79/71/81/495797181.db2.gz WKPUBCJFQJGDSF-UHFFFAOYSA-N 1 1 362.455 3.251 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](CCc1nccs1)C(C)C ZINC000159736638 495797188 /nfs/dbraw/zinc/79/71/88/495797188.db2.gz WKPUBCJFQJGDSF-UHFFFAOYSA-N 1 1 362.455 3.251 20 5 FGBDMO CC(C)Oc1nc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000577866122 505808548 /nfs/dbraw/zinc/80/85/48/505808548.db2.gz YPHKOVJLKUYRHJ-ZBFHGGJFSA-N 1 1 360.458 3.230 20 5 FGBDMO COC[C@@H]1CCC[N@@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000180139592 495875342 /nfs/dbraw/zinc/87/53/42/495875342.db2.gz VTKXZYYHSCPFNX-GFCCVEGCSA-N 1 1 374.384 3.106 20 5 FGBDMO COc1cc(C[N@H+](C)CCSC)c([N+](=O)[O-])cc1OCC(F)F ZINC000180173696 495890924 /nfs/dbraw/zinc/89/09/24/495890924.db2.gz MWOAPJMRFIPKDA-UHFFFAOYSA-N 1 1 350.387 3.042 20 5 FGBDMO COc1cc(C[N@@H+](C)CCSC)c([N+](=O)[O-])cc1OCC(F)F ZINC000180173696 495890926 /nfs/dbraw/zinc/89/09/26/495890926.db2.gz MWOAPJMRFIPKDA-UHFFFAOYSA-N 1 1 350.387 3.042 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCOCC3(CCOCC3)C2)o1 ZINC000183269800 495908989 /nfs/dbraw/zinc/90/89/89/495908989.db2.gz QNXTZFPCAYMMBC-UHFFFAOYSA-N 1 1 372.421 3.484 20 5 FGBDMO COc1cc(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000160286925 495927067 /nfs/dbraw/zinc/92/70/67/495927067.db2.gz XOGOBHZVGGRGIV-GASCZTMLSA-N 1 1 363.458 3.091 20 5 FGBDMO CCN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186300581 495934824 /nfs/dbraw/zinc/93/48/24/495934824.db2.gz AOLJMHFNWFLCFV-IBGZPJMESA-N 1 1 353.422 3.331 20 5 FGBDMO CN(C(=O)C[N@H+](CCC(F)(F)F)CC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000177170571 495958530 /nfs/dbraw/zinc/95/85/30/495958530.db2.gz XEPPVYAHAQZLRR-UHFFFAOYSA-N 1 1 359.348 3.222 20 5 FGBDMO CN(C(=O)C[N@@H+](CCC(F)(F)F)CC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000177170571 495958536 /nfs/dbraw/zinc/95/85/36/495958536.db2.gz XEPPVYAHAQZLRR-UHFFFAOYSA-N 1 1 359.348 3.222 20 5 FGBDMO C[C@@H](NC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000171864763 496068276 /nfs/dbraw/zinc/06/82/76/496068276.db2.gz YZGIKHIZCPIYKQ-HUUCEWRRSA-N 1 1 353.422 3.219 20 5 FGBDMO C[C@@H](NC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000171864763 496068281 /nfs/dbraw/zinc/06/82/81/496068281.db2.gz YZGIKHIZCPIYKQ-HUUCEWRRSA-N 1 1 353.422 3.219 20 5 FGBDMO O=C(CC[N@H+]1CC[C@]2(C1)OCc1ccccc12)Nc1ccccc1[N+](=O)[O-] ZINC000186623923 496078183 /nfs/dbraw/zinc/07/81/83/496078183.db2.gz UAOFIXZZHJERMC-HXUWFJFHSA-N 1 1 367.405 3.055 20 5 FGBDMO C[C@]12CCC[N@@H+]1C[C@@H](c1noc(/C=C\c3ccc(F)cc3[N+](=O)[O-])n1)OC2 ZINC000568971297 505822090 /nfs/dbraw/zinc/82/20/90/505822090.db2.gz WMORNJVIBPMYPT-CTQQLDRNSA-N 1 1 374.372 3.213 20 5 FGBDMO C[C@]12CCC[N@H+]1C[C@@H](c1noc(/C=C\c3ccc(F)cc3[N+](=O)[O-])n1)OC2 ZINC000568971297 505822092 /nfs/dbraw/zinc/82/20/92/505822092.db2.gz WMORNJVIBPMYPT-CTQQLDRNSA-N 1 1 374.372 3.213 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@H](Cn4ccnn4)C3)o2)cc1 ZINC000180799341 496151191 /nfs/dbraw/zinc/15/11/91/496151191.db2.gz DYZBTJAOFITNHQ-HNNXBMFYSA-N 1 1 367.409 3.359 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000571844004 505826274 /nfs/dbraw/zinc/82/62/74/505826274.db2.gz WNSGPDCENIFHPE-AEFFLSMTSA-N 1 1 361.442 3.121 20 5 FGBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000174915998 496162522 /nfs/dbraw/zinc/16/25/22/496162522.db2.gz RMGRDYISHZDPFQ-QGZVFWFLSA-N 1 1 353.422 3.189 20 5 FGBDMO Cc1c(CC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000161377540 496163400 /nfs/dbraw/zinc/16/34/00/496163400.db2.gz YMYLOMJUHLMJDM-IBGZPJMESA-N 1 1 367.449 3.227 20 5 FGBDMO CN(C)C1(C[N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCC1 ZINC000186970262 496234423 /nfs/dbraw/zinc/23/44/23/496234423.db2.gz RZQATXGBYHHHJT-UHFFFAOYSA-N 1 1 358.442 3.208 20 5 FGBDMO CN(C)C1(C[N@@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCC1 ZINC000186970262 496234427 /nfs/dbraw/zinc/23/44/27/496234427.db2.gz RZQATXGBYHHHJT-UHFFFAOYSA-N 1 1 358.442 3.208 20 5 FGBDMO CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000161933989 496265584 /nfs/dbraw/zinc/26/55/84/496265584.db2.gz WTMGHDHFZYYQRY-ZDUSSCGKSA-N 1 1 361.398 3.291 20 5 FGBDMO CC(C)c1ccc(C[N@H+]2CCC[C@H](c3ccnc(N)n3)C2)cc1[N+](=O)[O-] ZINC000569039183 505835447 /nfs/dbraw/zinc/83/54/47/505835447.db2.gz RNSTVEAPVUNSFU-HNNXBMFYSA-N 1 1 355.442 3.300 20 5 FGBDMO Cc1cnn(-c2cc[nH+]cc2[N-]C(=O)c2cc(F)c([N+](=O)[O-])cc2F)c1 ZINC000156714703 496317704 /nfs/dbraw/zinc/31/77/04/496317704.db2.gz NVOCARRQGHTILT-UHFFFAOYSA-N 1 1 359.292 3.014 20 5 FGBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@H](O)COc1ccc(Cl)cc1)C2 ZINC000153197080 496380397 /nfs/dbraw/zinc/38/03/97/496380397.db2.gz UJZNTXAIJLGGJF-HNNXBMFYSA-N 1 1 362.813 3.046 20 5 FGBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@H](O)COc1ccc(Cl)cc1)C2 ZINC000153197080 496380400 /nfs/dbraw/zinc/38/04/00/496380400.db2.gz UJZNTXAIJLGGJF-HNNXBMFYSA-N 1 1 362.813 3.046 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000162974549 496443811 /nfs/dbraw/zinc/44/38/11/496443811.db2.gz LEOMTMHZPMQDPH-OAHLLOKOSA-N 1 1 368.437 3.472 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000184713815 496503863 /nfs/dbraw/zinc/50/38/63/496503863.db2.gz MCPJERSQFQLWAF-ZWKOTPCHSA-N 1 1 361.486 3.400 20 5 FGBDMO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2nnc(C(C)C)s2)cc1[N+](=O)[O-] ZINC000181811142 496554971 /nfs/dbraw/zinc/55/49/71/496554971.db2.gz AGNGPYJBXBUPDL-NSHDSACASA-N 1 1 363.443 3.167 20 5 FGBDMO CC[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCN1CC(F)F ZINC000153730341 496560399 /nfs/dbraw/zinc/56/03/99/496560399.db2.gz OUWZARDPZSRKLC-CQSZACIVSA-N 1 1 357.401 3.025 20 5 FGBDMO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2cc(C(C)(C)C)no2)cc1[N+](=O)[O-] ZINC000181829669 496562574 /nfs/dbraw/zinc/56/25/74/496562574.db2.gz YOJWFYODDDCLMX-LBPRGKRZSA-N 1 1 360.414 3.478 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+](CCc1cccc(F)c1)C1CC1 ZINC000181883133 496584660 /nfs/dbraw/zinc/58/46/60/496584660.db2.gz ORQWSESRQWYSRR-GOSISDBHSA-N 1 1 374.412 3.181 20 5 FGBDMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181897537 496590679 /nfs/dbraw/zinc/59/06/79/496590679.db2.gz RYDJQBZJRDKGCA-HFTRVMKXSA-N 1 1 374.412 3.352 20 5 FGBDMO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181897576 496591036 /nfs/dbraw/zinc/59/10/36/496591036.db2.gz RYDJQBZJRDKGCA-KYJSFNMBSA-N 1 1 374.412 3.352 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1cccc(F)c1F ZINC000181968017 496616885 /nfs/dbraw/zinc/61/68/85/496616885.db2.gz QBATTXGBUZBZEZ-JTQLQIEISA-N 1 1 365.336 3.171 20 5 FGBDMO COc1ccc(OCC[N@H+]2CC[C@@H](Nc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000173289709 496628450 /nfs/dbraw/zinc/62/84/50/496628450.db2.gz GHFUYABFTKHYKV-MRXNPFEDSA-N 1 1 357.410 3.169 20 5 FGBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176055798 496663226 /nfs/dbraw/zinc/66/32/26/496663226.db2.gz BCUCXMMPJPODMM-OCCSQVGLSA-N 1 1 359.430 3.105 20 5 FGBDMO Cc1c(Br)c(N[C@@H](C)C[NH+]2CCCCC2)ncc1[N+](=O)[O-] ZINC000165743084 496668415 /nfs/dbraw/zinc/66/84/15/496668415.db2.gz OAIRZTZGCOXJFT-JTQLQIEISA-N 1 1 357.252 3.347 20 5 FGBDMO CC(C)Oc1cccc(C[N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000182256816 496721048 /nfs/dbraw/zinc/72/10/48/496721048.db2.gz BQCKKZRSNOFJCU-QGZVFWFLSA-N 1 1 374.437 3.254 20 5 FGBDMO COC[C@@H](Cc1ccccc1)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000191503057 496787718 /nfs/dbraw/zinc/78/77/18/496787718.db2.gz YFUKQADHKRDTDN-GOSISDBHSA-N 1 1 371.437 3.031 20 5 FGBDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000191503057 496787722 /nfs/dbraw/zinc/78/77/22/496787722.db2.gz YFUKQADHKRDTDN-GOSISDBHSA-N 1 1 371.437 3.031 20 5 FGBDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000191512728 496793050 /nfs/dbraw/zinc/79/30/50/496793050.db2.gz ATRDIYUCIDQFPK-MRXNPFEDSA-N 1 1 362.401 3.432 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]CCC[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000273610946 496852747 /nfs/dbraw/zinc/85/27/47/496852747.db2.gz AENAXZRKRRTBIF-ROUUACIJSA-N 1 1 358.442 3.357 20 5 FGBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000247448222 496861054 /nfs/dbraw/zinc/86/10/54/496861054.db2.gz PZZWNPXNISHJFL-CXAGYDPISA-N 1 1 374.466 3.173 20 5 FGBDMO C[NH+]1CCC(Nc2ccccc2NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000269311064 496916651 /nfs/dbraw/zinc/91/66/51/496916651.db2.gz YSVRLQXDHVHPTF-UHFFFAOYSA-N 1 1 370.409 3.059 20 5 FGBDMO CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000247963168 496933462 /nfs/dbraw/zinc/93/34/62/496933462.db2.gz DERSJKGXSNQMMV-LPHOPBHVSA-N 1 1 369.421 3.169 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)[C@H](C)C1 ZINC000269499341 496959904 /nfs/dbraw/zinc/95/99/04/496959904.db2.gz DXPXRYNKRFFAJN-WBMJQRKESA-N 1 1 368.865 3.120 20 5 FGBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC[C@H]21 ZINC000248149372 496964467 /nfs/dbraw/zinc/96/44/67/496964467.db2.gz QOFJTEQISRSHOP-IUODEOHRSA-N 1 1 359.451 3.366 20 5 FGBDMO C[C@@H]1C[N@@H+](C(C)(C)CNc2ccc([N+](=O)[O-])c3cnccc23)C[C@H](C)O1 ZINC000198409278 496968643 /nfs/dbraw/zinc/96/86/43/496968643.db2.gz GTSWQMHBIHVEPA-OKILXGFUSA-N 1 1 358.442 3.443 20 5 FGBDMO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H](CO)c1ccccc1 ZINC000269568265 496971526 /nfs/dbraw/zinc/97/15/26/496971526.db2.gz MWXAIZPFMVXPHN-SFHVURJKSA-N 1 1 367.405 3.458 20 5 FGBDMO CC[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H](C)c1cccc(O)c1 ZINC000248460528 497019150 /nfs/dbraw/zinc/01/91/50/497019150.db2.gz OMSHEUYYPYQNSC-RHSMWYFYSA-N 1 1 360.410 3.123 20 5 FGBDMO O=[N+]([O-])c1ccc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(F)c1 ZINC000572080680 505883828 /nfs/dbraw/zinc/88/38/28/505883828.db2.gz JDQSOTVBHRMYIK-QGZVFWFLSA-N 1 1 360.385 3.404 20 5 FGBDMO Cc1cccc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000248753531 497098446 /nfs/dbraw/zinc/09/84/46/497098446.db2.gz FZLUPFCQJXQPEI-QAPCUYQASA-N 1 1 353.422 3.154 20 5 FGBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)[C@@H]2C1 ZINC000274578002 497126599 /nfs/dbraw/zinc/12/65/99/497126599.db2.gz HBYYMBDGYFRXKP-QMTHXVAHSA-N 1 1 372.347 3.172 20 5 FGBDMO CC(C)[NH+]1CCN(C2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC000270485172 497138367 /nfs/dbraw/zinc/13/83/67/497138367.db2.gz QBZSOQFWTZAUDR-UHFFFAOYSA-N 1 1 366.893 3.243 20 5 FGBDMO Cc1ccnc([C@@H]2CC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)c1 ZINC000581020770 505892421 /nfs/dbraw/zinc/89/24/21/505892421.db2.gz NGGAPEQOKFNJLM-OAHLLOKOSA-N 1 1 354.410 3.116 20 5 FGBDMO COc1ccc(-c2ccc(CNC[C@H](C)[N@@H+](C)C3CC3)o2)c([N+](=O)[O-])c1 ZINC000237429867 497235411 /nfs/dbraw/zinc/23/54/11/497235411.db2.gz LMYZZBFQILZGBT-ZDUSSCGKSA-N 1 1 359.426 3.436 20 5 FGBDMO COc1ccc(-c2ccc(C[NH2+]C[C@H](C)N(C)C3CC3)o2)c([N+](=O)[O-])c1 ZINC000237429867 497235416 /nfs/dbraw/zinc/23/54/16/497235416.db2.gz LMYZZBFQILZGBT-ZDUSSCGKSA-N 1 1 359.426 3.436 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC(c4[nH+]cc5n4CCCC5)CC3)nc2c1 ZINC000278935371 497272561 /nfs/dbraw/zinc/27/25/61/497272561.db2.gz VOQFEOKBCMIHCA-UHFFFAOYSA-N 1 1 366.425 3.388 20 5 FGBDMO O=C(NCc1ccco1)c1cccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000238041846 497332306 /nfs/dbraw/zinc/33/23/06/497332306.db2.gz ORRKGEKMNHVYQB-UHFFFAOYSA-N 1 1 365.389 3.408 20 5 FGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000193582823 497419699 /nfs/dbraw/zinc/41/96/99/497419699.db2.gz LOPZBVDTNDZQBS-JSGCOSHPSA-N 1 1 368.397 3.309 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c(F)c1 ZINC000267006385 497467076 /nfs/dbraw/zinc/46/70/76/497467076.db2.gz FXQPMTMFVCSGSK-CQSZACIVSA-N 1 1 355.373 3.156 20 5 FGBDMO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267011402 497468301 /nfs/dbraw/zinc/46/83/01/497468301.db2.gz HMYUEERQYBIPMV-GFCCVEGCSA-N 1 1 353.394 3.081 20 5 FGBDMO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267011402 497468305 /nfs/dbraw/zinc/46/83/05/497468305.db2.gz HMYUEERQYBIPMV-GFCCVEGCSA-N 1 1 353.394 3.081 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c(F)c1 ZINC000267017878 497470228 /nfs/dbraw/zinc/47/02/28/497470228.db2.gz JSQUQSRAQZJNLJ-HNNXBMFYSA-N 1 1 373.432 3.431 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c(F)c1 ZINC000267017878 497470231 /nfs/dbraw/zinc/47/02/31/497470231.db2.gz JSQUQSRAQZJNLJ-HNNXBMFYSA-N 1 1 373.432 3.431 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193766475 497474465 /nfs/dbraw/zinc/47/44/65/497474465.db2.gz LSMZOUXFPMNEPD-QGZVFWFLSA-N 1 1 353.422 3.155 20 5 FGBDMO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000193808524 497489716 /nfs/dbraw/zinc/48/97/16/497489716.db2.gz HVLKJLUOPQBGKY-KRWDZBQOSA-N 1 1 353.422 3.155 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCO[C@@H]([C@H]4CCCO4)C3)o2)cc1 ZINC000245728057 497517808 /nfs/dbraw/zinc/51/78/08/497517808.db2.gz DXURLJOXDJUUCD-RTBURBONSA-N 1 1 358.394 3.235 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCO[C@@H]([C@H]4CCCO4)C3)o2)cc1 ZINC000245728057 497517812 /nfs/dbraw/zinc/51/78/12/497517812.db2.gz DXURLJOXDJUUCD-RTBURBONSA-N 1 1 358.394 3.235 20 5 FGBDMO C[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1 ZINC000245887605 497560723 /nfs/dbraw/zinc/56/07/23/497560723.db2.gz OCBREURJTMUBDV-DLBZAZTESA-N 1 1 359.813 3.423 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1 ZINC000245887605 497560726 /nfs/dbraw/zinc/56/07/26/497560726.db2.gz OCBREURJTMUBDV-DLBZAZTESA-N 1 1 359.813 3.423 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)c2c(c1)COCO2 ZINC000246055825 497606304 /nfs/dbraw/zinc/60/63/04/497606304.db2.gz AGWBHMYNNIMHHO-HZPDHXFCSA-N 1 1 350.440 3.321 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)c2c(c1)COCO2 ZINC000246055825 497606306 /nfs/dbraw/zinc/60/63/06/497606306.db2.gz AGWBHMYNNIMHHO-HZPDHXFCSA-N 1 1 350.440 3.321 20 5 FGBDMO O=C1CCCN1[C@@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000276817777 497662363 /nfs/dbraw/zinc/66/23/63/497662363.db2.gz OWEJXKIEUARFRD-MRXNPFEDSA-N 1 1 355.394 3.052 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](COc3ccccc3)C2)c2c(c1)COCO2 ZINC000272623144 497681923 /nfs/dbraw/zinc/68/19/23/497681923.db2.gz VDJRUCGOECFSFE-HNNXBMFYSA-N 1 1 370.405 3.362 20 5 FGBDMO C[C@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272736627 497717212 /nfs/dbraw/zinc/71/72/12/497717212.db2.gz LPSVAYZIRMBPCG-DOTOQJQBSA-N 1 1 374.485 3.090 20 5 FGBDMO Cc1cc(NC2CC[NH+](C[C@H]3CCOC3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272804247 497734983 /nfs/dbraw/zinc/73/49/83/497734983.db2.gz FKHXVVKHWKYWFE-OAHLLOKOSA-N 1 1 370.453 3.364 20 5 FGBDMO CS[C@@H]1CCCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000246570415 497777995 /nfs/dbraw/zinc/77/79/95/497777995.db2.gz LHDJHCWYMJEZNQ-UONOGXRCSA-N 1 1 351.472 3.448 20 5 FGBDMO C[C@H]1C[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C[C@]2(CCOC2)O1 ZINC000280603568 497822842 /nfs/dbraw/zinc/82/28/42/497822842.db2.gz VJTFLASKMWNSRP-NYHFZMIOSA-N 1 1 365.429 3.326 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C[C@]2(CCOC2)O1 ZINC000280603568 497822844 /nfs/dbraw/zinc/82/28/44/497822844.db2.gz VJTFLASKMWNSRP-NYHFZMIOSA-N 1 1 365.429 3.326 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCN(C)[C@H](c2nc(C3CC3)no2)C1 ZINC000284561780 497830244 /nfs/dbraw/zinc/83/02/44/497830244.db2.gz GAEXMTXCAUMFMD-GUYCJALGSA-N 1 1 371.441 3.213 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCN(C)[C@H](c2nc(C3CC3)no2)C1 ZINC000284561780 497830249 /nfs/dbraw/zinc/83/02/49/497830249.db2.gz GAEXMTXCAUMFMD-GUYCJALGSA-N 1 1 371.441 3.213 20 5 FGBDMO CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000364194386 497835380 /nfs/dbraw/zinc/83/53/80/497835380.db2.gz ANHNEVTUIXNIDT-YJBOKZPZSA-N 1 1 369.425 3.147 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]1c1ccncc1 ZINC000299575023 497853895 /nfs/dbraw/zinc/85/38/95/497853895.db2.gz HMHGFCWEYSJFMY-KRWDZBQOSA-N 1 1 370.409 3.164 20 5 FGBDMO C[C@@H]1Cc2c([nH+]cn2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C ZINC000296023079 497893463 /nfs/dbraw/zinc/89/34/63/497893463.db2.gz RIWUSPDCJPLMED-NWDGAFQWSA-N 1 1 353.382 3.260 20 5 FGBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)c1 ZINC000364344624 497911513 /nfs/dbraw/zinc/91/15/13/497911513.db2.gz YVULNURMYPLOBM-MRXNPFEDSA-N 1 1 370.388 3.158 20 5 FGBDMO CCOc1ccccc1NC(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292183572 497912603 /nfs/dbraw/zinc/91/26/03/497912603.db2.gz QUPIXOAAYNSHBD-UHFFFAOYSA-N 1 1 357.410 3.457 20 5 FGBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000581272901 505948727 /nfs/dbraw/zinc/94/87/27/505948727.db2.gz VVWMMWLTHPYZCW-GJZGRUSLSA-N 1 1 365.384 3.255 20 5 FGBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000581272901 505948731 /nfs/dbraw/zinc/94/87/31/505948731.db2.gz VVWMMWLTHPYZCW-GJZGRUSLSA-N 1 1 365.384 3.255 20 5 FGBDMO C[C@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000301109337 497956101 /nfs/dbraw/zinc/95/61/01/497956101.db2.gz NIOFGVJHMVIZFA-HZPDHXFCSA-N 1 1 374.485 3.363 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000301115602 497957993 /nfs/dbraw/zinc/95/79/93/497957993.db2.gz TYXZDVODPXWDBS-OKILXGFUSA-N 1 1 370.457 3.057 20 5 FGBDMO CC[N@H+]1CCCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000301208192 498001473 /nfs/dbraw/zinc/00/14/73/498001473.db2.gz RUABARNTGLNJSN-UHFFFAOYSA-N 1 1 353.422 3.358 20 5 FGBDMO C[N@H+]1CC[C@H](CNC(=O)c2csc([N+](=O)[O-])c2)[C@@H]1c1cccs1 ZINC000364633158 498059888 /nfs/dbraw/zinc/05/98/88/498059888.db2.gz JQMDVEWUDOHFFT-QMTHXVAHSA-N 1 1 351.453 3.141 20 5 FGBDMO COc1cc(C[N@@H+]2CCC[C@@]3(CCCCO3)C2)c([N+](=O)[O-])cc1OC ZINC000364809640 498154360 /nfs/dbraw/zinc/15/43/60/498154360.db2.gz JTKLCLUKRMZIJX-SFHVURJKSA-N 1 1 350.415 3.147 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@@]3(CCCCO3)C2)c([N+](=O)[O-])cc1OC ZINC000364809640 498154363 /nfs/dbraw/zinc/15/43/63/498154363.db2.gz JTKLCLUKRMZIJX-SFHVURJKSA-N 1 1 350.415 3.147 20 5 FGBDMO Cc1ccc2cc(C[N@H+]3CCC[C@H](n4cc([N+](=O)[O-])cn4)C3)ccc2n1 ZINC000364839018 498167741 /nfs/dbraw/zinc/16/77/41/498167741.db2.gz IAJYMVZCJCPTDH-KRWDZBQOSA-N 1 1 351.410 3.485 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000330695777 498175525 /nfs/dbraw/zinc/17/55/25/498175525.db2.gz DBKNYIGPWPRJAB-QWHCGFSZSA-N 1 1 351.472 3.260 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000330695777 498175530 /nfs/dbraw/zinc/17/55/30/498175530.db2.gz DBKNYIGPWPRJAB-QWHCGFSZSA-N 1 1 351.472 3.260 20 5 FGBDMO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000330701109 498176663 /nfs/dbraw/zinc/17/66/63/498176663.db2.gz HFMFINUWYJJXRC-ZDUSSCGKSA-N 1 1 351.422 3.108 20 5 FGBDMO CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000330701109 498176672 /nfs/dbraw/zinc/17/66/72/498176672.db2.gz HFMFINUWYJJXRC-ZDUSSCGKSA-N 1 1 351.422 3.108 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@H](OC)C[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000281511724 498176966 /nfs/dbraw/zinc/17/69/66/498176966.db2.gz ABKCULLKIDNMDT-PWSUYJOCSA-N 1 1 360.357 3.204 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@H](OC)C[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000281511724 498176974 /nfs/dbraw/zinc/17/69/74/498176974.db2.gz ABKCULLKIDNMDT-PWSUYJOCSA-N 1 1 360.357 3.204 20 5 FGBDMO Cc1nc(NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)ccc1[N+](=O)[O-] ZINC000301673184 498217434 /nfs/dbraw/zinc/21/74/34/498217434.db2.gz ZUCFLPDFIUDKRG-CQSZACIVSA-N 1 1 356.426 3.131 20 5 FGBDMO Cc1nc(NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)ccc1[N+](=O)[O-] ZINC000301673184 498217438 /nfs/dbraw/zinc/21/74/38/498217438.db2.gz ZUCFLPDFIUDKRG-CQSZACIVSA-N 1 1 356.426 3.131 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292991086 498225043 /nfs/dbraw/zinc/22/50/43/498225043.db2.gz NZWHVHPPDVRIQV-KUHUBIRLSA-N 1 1 371.441 3.124 20 5 FGBDMO Cn1cc[nH+]c1C[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000301715695 498235852 /nfs/dbraw/zinc/23/58/52/498235852.db2.gz MUSHWXKDDNBOQQ-LBPRGKRZSA-N 1 1 366.368 3.389 20 5 FGBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000301728870 498241626 /nfs/dbraw/zinc/24/16/26/498241626.db2.gz RKLLADXUGBLNAQ-AAEUAGOBSA-N 1 1 354.248 3.278 20 5 FGBDMO C[N@H+]1CC[C@H](Nc2nc3sccn3c2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000301817886 498277638 /nfs/dbraw/zinc/27/76/38/498277638.db2.gz FJEKJEBVWMXRLL-STQMWFEESA-N 1 1 361.402 3.300 20 5 FGBDMO C[N@H+]1CC[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@H]1c1ccccc1 ZINC000301825791 498281450 /nfs/dbraw/zinc/28/14/50/498281450.db2.gz DWYIDZRMRCWHHT-FOIQADDNSA-N 1 1 366.421 3.337 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c1 ZINC000581540185 506010909 /nfs/dbraw/zinc/01/09/09/506010909.db2.gz OWNCXAMELBPZOX-OGHNNQOOSA-N 1 1 363.483 3.119 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)ccc1NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000301864593 498301558 /nfs/dbraw/zinc/30/15/58/498301558.db2.gz GPZXYGJJHVXMQC-HOTGVXAUSA-N 1 1 361.829 3.296 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](n3ncc4ccccc43)C2)c([N+](=O)[O-])c1 ZINC000365120493 498307058 /nfs/dbraw/zinc/30/70/58/498307058.db2.gz LFEKOZPVBXLBDT-INIZCTEOSA-N 1 1 367.365 3.300 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](n3ncc4ccccc43)C2)c([N+](=O)[O-])c1 ZINC000365120493 498307064 /nfs/dbraw/zinc/30/70/64/498307064.db2.gz LFEKOZPVBXLBDT-INIZCTEOSA-N 1 1 367.365 3.300 20 5 FGBDMO O=[N+]([O-])c1cncc(Br)c1N1CC[NH+](C2CCCCC2)CC1 ZINC000301948400 498340402 /nfs/dbraw/zinc/34/04/02/498340402.db2.gz YQQDEWLUTPXARY-UHFFFAOYSA-N 1 1 369.263 3.207 20 5 FGBDMO Cc1cc(N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000301991478 498359774 /nfs/dbraw/zinc/35/97/74/498359774.db2.gz GASPMSNOWZCZBW-HNNXBMFYSA-N 1 1 370.453 3.141 20 5 FGBDMO CCC[C@H]1CN(c2c([N+](=O)[O-])c(C)nn2C)CC[N@H+]1Cc1ccccc1 ZINC000302025654 498374374 /nfs/dbraw/zinc/37/43/74/498374374.db2.gz PZEVHRMDYQUOKW-KRWDZBQOSA-N 1 1 357.458 3.128 20 5 FGBDMO Cc1ccc(NC(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000572671568 506025750 /nfs/dbraw/zinc/02/57/50/506025750.db2.gz KBLFPNDUYQIZIV-UHFFFAOYSA-N 1 1 354.410 3.251 20 5 FGBDMO CC(C)[C@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000302155608 498420181 /nfs/dbraw/zinc/42/01/81/498420181.db2.gz DSWZXSAHPIJCIJ-GOSISDBHSA-N 1 1 370.453 3.345 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1nc2sccn2c1[N+](=O)[O-] ZINC000302160689 498422174 /nfs/dbraw/zinc/42/21/74/498422174.db2.gz GXVLVAKBPQIMDI-JSGCOSHPSA-N 1 1 357.439 3.236 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000362279192 498487824 /nfs/dbraw/zinc/48/78/24/498487824.db2.gz HIDFZRKOLQRCQM-UONOGXRCSA-N 1 1 363.483 3.452 20 5 FGBDMO O=C1C[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CN1 ZINC000362337438 498499128 /nfs/dbraw/zinc/49/91/28/498499128.db2.gz WEHDICKKNLQWPI-CRAIPNDOSA-N 1 1 369.421 3.345 20 5 FGBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000297603987 498508505 /nfs/dbraw/zinc/50/85/05/498508505.db2.gz HHSRBHMIRUJPCJ-MFKMUULPSA-N 1 1 359.348 3.026 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@@H](C)C1 ZINC000297689845 498536914 /nfs/dbraw/zinc/53/69/14/498536914.db2.gz MBXYPUQUROIWHZ-XHDPSFHLSA-N 1 1 373.375 3.416 20 5 FGBDMO Cc1nc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1[N+](=O)[O-] ZINC000302782218 498571673 /nfs/dbraw/zinc/57/16/73/498571673.db2.gz KCUZWOAURHAECV-KRWDZBQOSA-N 1 1 356.426 3.001 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])s1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000365739047 498619650 /nfs/dbraw/zinc/61/96/50/498619650.db2.gz HUALFRCZYGEWNH-CVEARBPZSA-N 1 1 371.462 3.250 20 5 FGBDMO COc1ccc(C[NH+]2CCC(O)(Cc3ccccc3F)CC2)cc1[N+](=O)[O-] ZINC000365855527 498672844 /nfs/dbraw/zinc/67/28/44/498672844.db2.gz HRIPMCCHZFUNRD-UHFFFAOYSA-N 1 1 374.412 3.312 20 5 FGBDMO C[NH+](C)CCOc1ccccc1CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000576172575 506094308 /nfs/dbraw/zinc/09/43/08/506094308.db2.gz QDHQKIBPGPILMS-SFHVURJKSA-N 1 1 355.438 3.312 20 5 FGBDMO O=C(CC[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000283352252 498860290 /nfs/dbraw/zinc/86/02/90/498860290.db2.gz RBDDTBUOEFLGSI-PBHICJAKSA-N 1 1 373.409 3.105 20 5 FGBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000363625151 498910401 /nfs/dbraw/zinc/91/04/01/498910401.db2.gz SEYCQQZRTSAFRQ-QGZVFWFLSA-N 1 1 353.422 3.237 20 5 FGBDMO COc1c(C)c[nH+]c(CN(C)Cc2nc3cc([N+](=O)[O-])ccc3o2)c1C ZINC000295241556 498953442 /nfs/dbraw/zinc/95/34/42/498953442.db2.gz YEOVQWQZADLTBG-UHFFFAOYSA-N 1 1 356.382 3.388 20 5 FGBDMO O=C(NC[C@H]1CCCC[N@H+]1C1CC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000295365410 498994018 /nfs/dbraw/zinc/99/40/18/498994018.db2.gz OBHMVYFMELZLHU-CYBMUJFWSA-N 1 1 371.359 3.360 20 5 FGBDMO Cc1cc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)[nH]n1 ZINC000364006606 499082977 /nfs/dbraw/zinc/08/29/77/499082977.db2.gz CZNQGBKDMTWQHU-HUUCEWRRSA-N 1 1 371.441 3.141 20 5 FGBDMO Cc1cc([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)[nH]n1 ZINC000364006606 499082982 /nfs/dbraw/zinc/08/29/82/499082982.db2.gz CZNQGBKDMTWQHU-HUUCEWRRSA-N 1 1 371.441 3.141 20 5 FGBDMO Cc1cc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)n[nH]1 ZINC000364006606 499082988 /nfs/dbraw/zinc/08/29/88/499082988.db2.gz CZNQGBKDMTWQHU-HUUCEWRRSA-N 1 1 371.441 3.141 20 5 FGBDMO Cc1cc([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)n[nH]1 ZINC000364006606 499082993 /nfs/dbraw/zinc/08/29/93/499082993.db2.gz CZNQGBKDMTWQHU-HUUCEWRRSA-N 1 1 371.441 3.141 20 5 FGBDMO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000366887112 499106033 /nfs/dbraw/zinc/10/60/33/499106033.db2.gz UXHUMAYHJZPJGG-UHFFFAOYSA-N 1 1 358.417 3.477 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](Cc3nnc4ccccn43)C2)cs1 ZINC000364122445 499119255 /nfs/dbraw/zinc/11/92/55/499119255.db2.gz CDGRSMJFRSIXFV-ZDUSSCGKSA-N 1 1 357.439 3.154 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc(CNc2nc3ccccc3cc2[N+](=O)[O-])cn1 ZINC000370020267 499167627 /nfs/dbraw/zinc/16/76/27/499167627.db2.gz NIKNNPJMPOQWQX-UHFFFAOYSA-N 1 1 360.377 3.066 20 5 FGBDMO C[N@@H+](C[C@@H]1CC12CCN(c1ncc(Cl)cc1[N+](=O)[O-])CC2)C1CC1 ZINC000367297008 499175580 /nfs/dbraw/zinc/17/55/80/499175580.db2.gz VJJZEAQIYVLKGZ-LBPRGKRZSA-N 1 1 350.850 3.344 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)cc1[N+](=O)[O-] ZINC000370120459 499183792 /nfs/dbraw/zinc/18/37/92/499183792.db2.gz NXFGUSFOPSVXKW-OWLYRPNTSA-N 1 1 372.469 3.090 20 5 FGBDMO Cc1c([C@@H]2CCC[N@H+]2[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cnn1C ZINC000367341796 499184404 /nfs/dbraw/zinc/18/44/04/499184404.db2.gz HFBFYUPQTAUDBJ-KDOFPFPSSA-N 1 1 371.441 3.109 20 5 FGBDMO Cc1c([C@@H]2CCC[N@@H+]2[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cnn1C ZINC000367341796 499184406 /nfs/dbraw/zinc/18/44/06/499184406.db2.gz HFBFYUPQTAUDBJ-KDOFPFPSSA-N 1 1 371.441 3.109 20 5 FGBDMO Cc1cc(C(=O)N2CCC[C@@H](n3cc[nH+]c3C(C)C)C2)c(N)c([N+](=O)[O-])c1 ZINC000370872025 499265177 /nfs/dbraw/zinc/26/51/77/499265177.db2.gz PQORVQISDINWGO-CQSZACIVSA-N 1 1 371.441 3.283 20 5 FGBDMO CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000371125945 499290836 /nfs/dbraw/zinc/29/08/36/499290836.db2.gz DDHYVKFZGJRCJF-SCOAYWHSSA-N 1 1 354.410 3.058 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000371292614 499306735 /nfs/dbraw/zinc/30/67/35/499306735.db2.gz RBDTVTJGLHNRIY-MRXNPFEDSA-N 1 1 368.393 3.125 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000371292614 499306737 /nfs/dbraw/zinc/30/67/37/499306737.db2.gz RBDTVTJGLHNRIY-MRXNPFEDSA-N 1 1 368.393 3.125 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000371712168 499357926 /nfs/dbraw/zinc/35/79/26/499357926.db2.gz ZDZQNALQZZBHRQ-GFCCVEGCSA-N 1 1 354.332 3.337 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000371721758 499358750 /nfs/dbraw/zinc/35/87/50/499358750.db2.gz BEUCVSJSBYNHSG-GOEBONIOSA-N 1 1 357.410 3.170 20 5 FGBDMO CCCN1CC[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)CC1 ZINC000369152818 499371384 /nfs/dbraw/zinc/37/13/84/499371384.db2.gz AMEOWPQXDGDJTJ-UHFFFAOYSA-N 1 1 366.893 3.245 20 5 FGBDMO COc1cc(C[NH+]2CCC(c3nccc(C)n3)CC2)c([N+](=O)[O-])cc1OC ZINC000371887003 499375610 /nfs/dbraw/zinc/37/56/10/499375610.db2.gz BRJTVZIYTHBCOV-UHFFFAOYSA-N 1 1 372.425 3.090 20 5 FGBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](Cc3cc(-c4ccccc4)no3)C2)c1 ZINC000372287193 499416980 /nfs/dbraw/zinc/41/69/80/499416980.db2.gz FBCQGJVSHDUHAI-HNNXBMFYSA-N 1 1 353.382 3.283 20 5 FGBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3cc(-c4ccccc4)no3)C2)c1 ZINC000372287193 499416982 /nfs/dbraw/zinc/41/69/82/499416982.db2.gz FBCQGJVSHDUHAI-HNNXBMFYSA-N 1 1 353.382 3.283 20 5 FGBDMO Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000369568156 499419181 /nfs/dbraw/zinc/41/91/81/499419181.db2.gz KCAPDVNQSZATNX-WMLDXEAASA-N 1 1 359.451 3.388 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000369569010 499419780 /nfs/dbraw/zinc/41/97/80/499419780.db2.gz MRUWZXYFXLOUSX-DYVFJYSZSA-N 1 1 359.451 3.388 20 5 FGBDMO C[N@H+]1CC[C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H]1c1cccs1 ZINC000369672725 499435161 /nfs/dbraw/zinc/43/51/61/499435161.db2.gz SDHIKVCRHSSRCO-KBXCAEBGSA-N 1 1 359.451 3.008 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000373367725 499465819 /nfs/dbraw/zinc/46/58/19/499465819.db2.gz AXAXRJSMOBAASE-QWFCFKBJSA-N 1 1 370.453 3.213 20 5 FGBDMO Cc1c(Cl)cccc1N1CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000375347006 499509528 /nfs/dbraw/zinc/50/95/28/499509528.db2.gz BHHZLNSTTJXQRG-UHFFFAOYSA-N 1 1 363.849 3.002 20 5 FGBDMO Cc1c(Cl)cccc1N1CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000375347006 499509529 /nfs/dbraw/zinc/50/95/29/499509529.db2.gz BHHZLNSTTJXQRG-UHFFFAOYSA-N 1 1 363.849 3.002 20 5 FGBDMO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000573237592 506150544 /nfs/dbraw/zinc/15/05/44/506150544.db2.gz QXYWGZPUGTXXBW-QAPCUYQASA-N 1 1 353.422 3.296 20 5 FGBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000376103025 499583233 /nfs/dbraw/zinc/58/32/33/499583233.db2.gz LHVXMIZSECKZDS-UHFFFAOYSA-N 1 1 351.366 3.299 20 5 FGBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000377545332 499702924 /nfs/dbraw/zinc/70/29/24/499702924.db2.gz BVAIVILXMROCFG-SJLPKXTDSA-N 1 1 360.458 3.142 20 5 FGBDMO Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3)[C@H](C)C2)s1 ZINC000377793057 499734624 /nfs/dbraw/zinc/73/46/24/499734624.db2.gz QFNIMKFLSLAXDE-SJKOYZFVSA-N 1 1 374.466 3.000 20 5 FGBDMO CCOC(=O)c1[nH]c(C)c(C(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1C ZINC000411451044 499742037 /nfs/dbraw/zinc/74/20/37/499742037.db2.gz HSUFYDJVJRTORT-LBPRGKRZSA-N 1 1 373.409 3.250 20 5 FGBDMO COC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000414484777 499798104 /nfs/dbraw/zinc/79/81/04/499798104.db2.gz HBTZGUWWYUIPMH-STQMWFEESA-N 1 1 366.801 3.090 20 5 FGBDMO COC(=O)[C@@]1(C)CCC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000412079378 499821313 /nfs/dbraw/zinc/82/13/13/499821313.db2.gz VBTKMGIMXGSYES-IBGZPJMESA-N 1 1 373.409 3.067 20 5 FGBDMO C[C@H](CC[NH3+])NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000414902478 499843185 /nfs/dbraw/zinc/84/31/85/499843185.db2.gz YJIIHMVRXRYLNC-SNVBAGLBSA-N 1 1 368.231 3.444 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000412698317 499876971 /nfs/dbraw/zinc/87/69/71/499876971.db2.gz NEYAJLCWJNKUAJ-INIZCTEOSA-N 1 1 353.422 3.250 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000412698317 499876972 /nfs/dbraw/zinc/87/69/72/499876972.db2.gz NEYAJLCWJNKUAJ-INIZCTEOSA-N 1 1 353.422 3.250 20 5 FGBDMO CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000421393988 500037369 /nfs/dbraw/zinc/03/73/69/500037369.db2.gz SCWLNSCYIGDDHQ-GFCCVEGCSA-N 1 1 363.801 3.219 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000425420196 500099805 /nfs/dbraw/zinc/09/98/05/500099805.db2.gz KNYWYDZPKAAFGW-TZMCWYRMSA-N 1 1 355.232 3.358 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000425420196 500099808 /nfs/dbraw/zinc/09/98/08/500099808.db2.gz KNYWYDZPKAAFGW-TZMCWYRMSA-N 1 1 355.232 3.358 20 5 FGBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425439326 500106475 /nfs/dbraw/zinc/10/64/75/500106475.db2.gz AAUAVTXXMQRYRK-XNHOIOAFSA-N 1 1 367.243 3.213 20 5 FGBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425439326 500106480 /nfs/dbraw/zinc/10/64/80/500106480.db2.gz AAUAVTXXMQRYRK-XNHOIOAFSA-N 1 1 367.243 3.213 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000421783367 500149722 /nfs/dbraw/zinc/14/97/22/500149722.db2.gz GNVOXKBNEYRZQE-UHFFFAOYSA-N 1 1 356.426 3.040 20 5 FGBDMO COC(=O)[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)[C@H]1C(C)C ZINC000430142755 500199164 /nfs/dbraw/zinc/19/91/64/500199164.db2.gz DCAGDFGCVMAVDO-ZFWWWQNUSA-N 1 1 372.368 3.216 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](Cc1nc(C)no1)c1ccccc1 ZINC000430236071 500213331 /nfs/dbraw/zinc/21/33/31/500213331.db2.gz MTZUTIHIVZVNHH-KRWDZBQOSA-N 1 1 368.393 3.368 20 5 FGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000425970165 500219181 /nfs/dbraw/zinc/21/91/81/500219181.db2.gz ZBMDVQAOJZCLGH-QHVUTBCBSA-N 1 1 372.469 3.076 20 5 FGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000425970165 500219183 /nfs/dbraw/zinc/21/91/83/500219183.db2.gz ZBMDVQAOJZCLGH-QHVUTBCBSA-N 1 1 372.469 3.076 20 5 FGBDMO C[C@H]1OCC[C@@]1(O)C[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000576552187 506184540 /nfs/dbraw/zinc/18/45/40/506184540.db2.gz FAAIOANQIQJOCM-OXQOHEQNSA-N 1 1 356.422 3.137 20 5 FGBDMO CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000570535760 506190025 /nfs/dbraw/zinc/19/00/25/506190025.db2.gz NKRCFHXKHRIEDJ-YOEHRIQHSA-N 1 1 371.441 3.289 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@H]2COc2cccnc2C)ccc1[N+](=O)[O-] ZINC000419386277 500360193 /nfs/dbraw/zinc/36/01/93/500360193.db2.gz IFRXMMQDYBKKGI-INIZCTEOSA-N 1 1 357.410 3.350 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000427381423 500387364 /nfs/dbraw/zinc/38/73/64/500387364.db2.gz GPYFRTIDSSEFFM-UHFFFAOYSA-N 1 1 371.437 3.244 20 5 FGBDMO C[C@H]1CC2(CN1Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC[NH2+]CC2 ZINC000424385118 500494964 /nfs/dbraw/zinc/49/49/64/500494964.db2.gz VXYDIRJUNDEWML-LBPRGKRZSA-N 1 1 355.385 3.160 20 5 FGBDMO C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)[C@@H](C(N)=O)C1 ZINC000428456941 500512660 /nfs/dbraw/zinc/51/26/60/500512660.db2.gz GJPBBQNAHCVICI-BLLLJJGKSA-N 1 1 359.451 3.409 20 5 FGBDMO CC[NH+](CC)CCOc1ccccc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000432448207 500517767 /nfs/dbraw/zinc/51/77/67/500517767.db2.gz IBSMCNHWUHCXIN-UHFFFAOYSA-N 1 1 373.409 3.273 20 5 FGBDMO Cc1ccccc1C[C@H](C)[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000447402806 500601343 /nfs/dbraw/zinc/60/13/43/500601343.db2.gz AWLJTJYOALCTBM-INIZCTEOSA-N 1 1 367.449 3.355 20 5 FGBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000447693973 500647349 /nfs/dbraw/zinc/64/73/49/500647349.db2.gz OVEMGBVTCLSFDD-DZGCQCFKSA-N 1 1 351.410 3.140 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(N3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)n2)cc1 ZINC000448058180 500713311 /nfs/dbraw/zinc/71/33/11/500713311.db2.gz KCQUWDICPPTTBZ-WMLDXEAASA-N 1 1 369.425 3.098 20 5 FGBDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000438844089 500825969 /nfs/dbraw/zinc/82/59/69/500825969.db2.gz XJDUFOFYOGVHMJ-QAPCUYQASA-N 1 1 362.474 3.466 20 5 FGBDMO CC[C@@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000444682015 500877999 /nfs/dbraw/zinc/87/79/99/500877999.db2.gz SFTUWRAUUVDZQR-OCCSQVGLSA-N 1 1 363.414 3.163 20 5 FGBDMO Cc1ccc([C@@]2(C)CC[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)cc1 ZINC000434746487 500887839 /nfs/dbraw/zinc/88/78/39/500887839.db2.gz JMHUVKTVMPLDRS-FQEVSTJZSA-N 1 1 353.422 3.166 20 5 FGBDMO CCOc1cc(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000444729680 500888917 /nfs/dbraw/zinc/88/89/17/500888917.db2.gz SERJTWIKQWPTFH-DOMZBBRYSA-N 1 1 362.348 3.129 20 5 FGBDMO CCOc1cc(C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000444729680 500888920 /nfs/dbraw/zinc/88/89/20/500888920.db2.gz SERJTWIKQWPTFH-DOMZBBRYSA-N 1 1 362.348 3.129 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C[C@H](O)COc1ccccc1)C(C)C ZINC000444820697 500907110 /nfs/dbraw/zinc/90/71/10/500907110.db2.gz WLMTTWXIQHXEFB-SFHVURJKSA-N 1 1 374.437 3.254 20 5 FGBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000439692428 500926794 /nfs/dbraw/zinc/92/67/94/500926794.db2.gz PXAOPDCRQKUDGP-MRXNPFEDSA-N 1 1 365.499 3.314 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000439881031 500949599 /nfs/dbraw/zinc/94/95/99/500949599.db2.gz BGCWUIXIJUKTDG-KBPBESRZSA-N 1 1 364.446 3.378 20 5 FGBDMO COc1ccc(OCC[N@@H+](C)[C@H](C)[C@@H]2Cc3ccccc3O2)c([N+](=O)[O-])c1 ZINC000441056447 501081643 /nfs/dbraw/zinc/08/16/43/501081643.db2.gz YLQJNTYJSMFNRM-VLIAUNLRSA-N 1 1 372.421 3.306 20 5 FGBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000436254891 501096443 /nfs/dbraw/zinc/09/64/43/501096443.db2.gz UZTQNYQLHBQSCK-HNNXBMFYSA-N 1 1 363.461 3.143 20 5 FGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000436260572 501096887 /nfs/dbraw/zinc/09/68/87/501096887.db2.gz MHODZRRXJYPQCI-DQLDELGASA-N 1 1 367.449 3.241 20 5 FGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000436260572 501096889 /nfs/dbraw/zinc/09/68/89/501096889.db2.gz MHODZRRXJYPQCI-DQLDELGASA-N 1 1 367.449 3.241 20 5 FGBDMO COc1ccc(NC(=O)C[N@H+](C)CCc2ccccc2C)c([N+](=O)[O-])c1 ZINC000451167129 501249453 /nfs/dbraw/zinc/24/94/53/501249453.db2.gz IBDJSKLEZLATJU-UHFFFAOYSA-N 1 1 357.410 3.025 20 5 FGBDMO COc1ccc(NC(=O)C[N@@H+](C)CCc2ccccc2C)c([N+](=O)[O-])c1 ZINC000451167129 501249454 /nfs/dbraw/zinc/24/94/54/501249454.db2.gz IBDJSKLEZLATJU-UHFFFAOYSA-N 1 1 357.410 3.025 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCn1c[nH+]c2c1C[C@H](C)[C@H](C)C2 ZINC000451346681 501271466 /nfs/dbraw/zinc/27/14/66/501271466.db2.gz UPAZQMSPRRXMNL-KGLIPLIRSA-N 1 1 356.426 3.499 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC000451920396 501401704 /nfs/dbraw/zinc/40/17/04/501401704.db2.gz GVIXHEWKIUCGTQ-UHFFFAOYSA-N 1 1 350.369 3.061 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@]3(CCSC3)C2)cccc1[N+](=O)[O-] ZINC000451987601 501414121 /nfs/dbraw/zinc/41/41/21/501414121.db2.gz YUMWHNYKVJEQAG-RDTXWAMCSA-N 1 1 363.483 3.449 20 5 FGBDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000456338647 501502877 /nfs/dbraw/zinc/50/28/77/501502877.db2.gz CJRWEZNACGPZHI-KGLIPLIRSA-N 1 1 351.472 3.018 20 5 FGBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000456338647 501502879 /nfs/dbraw/zinc/50/28/79/501502879.db2.gz CJRWEZNACGPZHI-KGLIPLIRSA-N 1 1 351.472 3.018 20 5 FGBDMO Cc1cc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000456352085 501507512 /nfs/dbraw/zinc/50/75/12/501507512.db2.gz XWBDIAUTPFDONV-KRWDZBQOSA-N 1 1 367.449 3.497 20 5 FGBDMO C[C@H](NC(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000454496826 501560846 /nfs/dbraw/zinc/56/08/46/501560846.db2.gz VFOCXZVWXNPUSY-HOTGVXAUSA-N 1 1 370.453 3.476 20 5 FGBDMO C[N@H+]1CCC[C@@H](CCNC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000459313722 501629111 /nfs/dbraw/zinc/62/91/11/501629111.db2.gz ORLXJIXXGDULIX-FUHWJXTLSA-N 1 1 374.485 3.216 20 5 FGBDMO COc1cc(CNC[C@H]2CC[N@H+]2C2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000598992471 506266511 /nfs/dbraw/zinc/26/65/11/506266511.db2.gz PAMSPDTYQFYQMG-MRXNPFEDSA-N 1 1 363.458 3.109 20 5 FGBDMO COc1cc(C[NH2+]C[C@H]2CCN2C2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000598992471 506266518 /nfs/dbraw/zinc/26/65/18/506266518.db2.gz PAMSPDTYQFYQMG-MRXNPFEDSA-N 1 1 363.458 3.109 20 5 FGBDMO COc1ccc(-c2ccc(C[NH+]3CC(c4nc(C)no4)C3)o2)c([N+](=O)[O-])c1 ZINC000459609773 501686398 /nfs/dbraw/zinc/68/63/98/501686398.db2.gz QXRSUBVIDHLCOG-UHFFFAOYSA-N 1 1 370.365 3.154 20 5 FGBDMO Cn1c2ccc(F)cc2[nH+]c1NCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000463507405 501746327 /nfs/dbraw/zinc/74/63/27/501746327.db2.gz PGWFIECGOFOOSX-UHFFFAOYSA-N 1 1 366.299 3.256 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000599000038 506271074 /nfs/dbraw/zinc/27/10/74/506271074.db2.gz RCCHGTNYTKVJEA-HNNXBMFYSA-N 1 1 355.385 3.303 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@@H]2CCN2C2CCCC2)c1 ZINC000599000038 506271078 /nfs/dbraw/zinc/27/10/78/506271078.db2.gz RCCHGTNYTKVJEA-HNNXBMFYSA-N 1 1 355.385 3.303 20 5 FGBDMO CCCN(C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](C)C1 ZINC000592833230 506271360 /nfs/dbraw/zinc/27/13/60/506271360.db2.gz XEKHGMHHXAAGOH-UKRRQHHQSA-N 1 1 351.472 3.018 20 5 FGBDMO CCCN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CC[N@@H+](C)C1 ZINC000592832136 506271641 /nfs/dbraw/zinc/27/16/41/506271641.db2.gz QZHGFYLPABQXCS-HNNXBMFYSA-N 1 1 374.466 3.275 20 5 FGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000602723382 506273869 /nfs/dbraw/zinc/27/38/69/506273869.db2.gz FSOGTUSJYNPNEX-VXMWWYGOSA-N 1 1 362.373 3.099 20 5 FGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000602723382 506273876 /nfs/dbraw/zinc/27/38/76/506273876.db2.gz FSOGTUSJYNPNEX-VXMWWYGOSA-N 1 1 362.373 3.099 20 5 FGBDMO O=C1NC[C@@H]2[C@H]1CCC[N@@H+]2Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000467522066 501815552 /nfs/dbraw/zinc/81/55/52/501815552.db2.gz NTJAKMVNESUJGQ-GDBMZVCRSA-N 1 1 357.435 3.034 20 5 FGBDMO Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602731036 506277134 /nfs/dbraw/zinc/27/71/34/506277134.db2.gz HTXPEZNOJNHZFW-IBGZPJMESA-N 1 1 360.458 3.160 20 5 FGBDMO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000467847871 501889757 /nfs/dbraw/zinc/88/97/57/501889757.db2.gz AKYPFFIKQNJDSD-LRQRDZAKSA-N 1 1 369.465 3.128 20 5 FGBDMO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000467847871 501889760 /nfs/dbraw/zinc/88/97/60/501889760.db2.gz AKYPFFIKQNJDSD-LRQRDZAKSA-N 1 1 369.465 3.128 20 5 FGBDMO COc1ccc([C@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)C2CC2)cn1 ZINC000599019948 506280803 /nfs/dbraw/zinc/28/08/03/506280803.db2.gz IREUKPWKZUDORP-GOSISDBHSA-N 1 1 371.393 3.106 20 5 FGBDMO COc1cc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000485774294 501931692 /nfs/dbraw/zinc/93/16/92/501931692.db2.gz QYTVTKWKCYXJSL-VMPITWQZSA-N 1 1 367.449 3.434 20 5 FGBDMO COc1cc(C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)c([N+](=O)[O-])cc1F ZINC000464486053 502002712 /nfs/dbraw/zinc/00/27/12/502002712.db2.gz KVKLKZNFQBUTGK-UHFFFAOYSA-N 1 1 360.341 3.250 20 5 FGBDMO C[NH+](C)[C@H](C(=O)NCCc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000461261015 502054372 /nfs/dbraw/zinc/05/43/72/502054372.db2.gz WDBIEBIKFDEIQS-KRWDZBQOSA-N 1 1 361.829 3.210 20 5 FGBDMO CSc1ccc(C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000478700501 502062243 /nfs/dbraw/zinc/06/22/43/502062243.db2.gz JRUQYGBHYMNLSK-OLZOCXBDSA-N 1 1 351.472 3.309 20 5 FGBDMO Cc1c(CNC(=O)NCCC[N@H+](C)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000478752973 502075543 /nfs/dbraw/zinc/07/55/43/502075543.db2.gz BMTNGAZPJPYCGJ-UHFFFAOYSA-N 1 1 362.474 3.357 20 5 FGBDMO CCC[C@H]1[C@H](C)CCC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000464743680 502079639 /nfs/dbraw/zinc/07/96/39/502079639.db2.gz ZZHVPPLHFDBLJT-OCCSQVGLSA-N 1 1 363.414 3.163 20 5 FGBDMO CCc1ccc(C(=O)NC[C@@H](c2ccccc2OC)[NH+](C)C)cc1[N+](=O)[O-] ZINC000471606745 502085356 /nfs/dbraw/zinc/08/53/56/502085356.db2.gz VESFUGTZNAFJPR-SFHVURJKSA-N 1 1 371.437 3.199 20 5 FGBDMO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602776785 506294630 /nfs/dbraw/zinc/29/46/30/506294630.db2.gz ALDMNFJWRHZORA-QGZVFWFLSA-N 1 1 368.441 3.306 20 5 FGBDMO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602776785 506294641 /nfs/dbraw/zinc/29/46/41/506294641.db2.gz ALDMNFJWRHZORA-QGZVFWFLSA-N 1 1 368.441 3.306 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000475316157 502131850 /nfs/dbraw/zinc/13/18/50/502131850.db2.gz KPYPEFOOZUICDC-QGZVFWFLSA-N 1 1 353.422 3.250 20 5 FGBDMO COc1ccc(CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)CC(C)(C)C)cc1 ZINC000475355768 502147036 /nfs/dbraw/zinc/14/70/36/502147036.db2.gz KSAHCTZJBNAMON-UHFFFAOYSA-N 1 1 360.458 3.428 20 5 FGBDMO COc1ccc(NC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000611775530 506296085 /nfs/dbraw/zinc/29/60/85/506296085.db2.gz ORTHPJVTSWCYEA-UHFFFAOYSA-N 1 1 370.409 3.162 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(N3CC[NH+](Cc4cccs4)CC3)n2)cc1 ZINC000486436459 502153211 /nfs/dbraw/zinc/15/32/11/502153211.db2.gz PWJOASOLKNHKOA-UHFFFAOYSA-N 1 1 371.422 3.029 20 5 FGBDMO COc1cccc(NCc2ccc(C[NH+]3CCOCC3)cc2)c1[N+](=O)[O-] ZINC000475451404 502174801 /nfs/dbraw/zinc/17/48/01/502174801.db2.gz ZKNIKOXXXUIFLZ-UHFFFAOYSA-N 1 1 357.410 3.048 20 5 FGBDMO CC[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1cccc([N+](=O)[O-])c1 ZINC000468818337 502193745 /nfs/dbraw/zinc/19/37/45/502193745.db2.gz CEEBPXVRQYHRLH-CQSZACIVSA-N 1 1 354.453 3.301 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000475582925 502218601 /nfs/dbraw/zinc/21/86/01/502218601.db2.gz UWGUPZLSEMYWDE-KRWDZBQOSA-N 1 1 370.405 3.136 20 5 FGBDMO Cc1cc(N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000461946772 502247428 /nfs/dbraw/zinc/24/74/28/502247428.db2.gz HVOQPCOLUXSPNR-ZNMIVQPWSA-N 1 1 351.422 3.120 20 5 FGBDMO Cc1cc(N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000461946772 502247434 /nfs/dbraw/zinc/24/74/34/502247434.db2.gz HVOQPCOLUXSPNR-ZNMIVQPWSA-N 1 1 351.422 3.120 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CCCO)Cc1ccccc1 ZINC000486810023 502270161 /nfs/dbraw/zinc/27/01/61/502270161.db2.gz PWGDMMOREUJLSM-UHFFFAOYSA-N 1 1 371.437 3.116 20 5 FGBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000483110237 502276324 /nfs/dbraw/zinc/27/63/24/502276324.db2.gz BEZBVIATULDPLI-CQSZACIVSA-N 1 1 373.384 3.171 20 5 FGBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000483110237 502276328 /nfs/dbraw/zinc/27/63/28/502276328.db2.gz BEZBVIATULDPLI-CQSZACIVSA-N 1 1 373.384 3.171 20 5 FGBDMO C[C@@H]1C[N@H+](CCCNc2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@H](C)O1 ZINC000462088499 502303330 /nfs/dbraw/zinc/30/33/30/502303330.db2.gz MUPZOBXXUKXVDM-TXEJJXNPSA-N 1 1 359.373 3.107 20 5 FGBDMO Cc1ccc2c(c1)C[N@@H+](CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)C2 ZINC000483335012 502353485 /nfs/dbraw/zinc/35/34/85/502353485.db2.gz ZVHNJKWBFBAAIB-UHFFFAOYSA-N 1 1 353.378 3.217 20 5 FGBDMO Cc1ccc2c(c1)C[N@H+](CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)C2 ZINC000483335012 502353492 /nfs/dbraw/zinc/35/34/92/502353492.db2.gz ZVHNJKWBFBAAIB-UHFFFAOYSA-N 1 1 353.378 3.217 20 5 FGBDMO CN(C(=O)C[N@@H+]1CC[C@@](C)(c2ccc(F)cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000483400934 502376377 /nfs/dbraw/zinc/37/63/77/502376377.db2.gz DLKXCMOBOWSWDZ-HXUWFJFHSA-N 1 1 371.412 3.360 20 5 FGBDMO CN(C(=O)C[N@H+]1CC[C@@](C)(c2ccc(F)cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000483400934 502376384 /nfs/dbraw/zinc/37/63/84/502376384.db2.gz DLKXCMOBOWSWDZ-HXUWFJFHSA-N 1 1 371.412 3.360 20 5 FGBDMO CC(C)[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[N@H+]1C ZINC000487222310 502394903 /nfs/dbraw/zinc/39/49/03/502394903.db2.gz QOEDKZDFZSAINE-AWEZNQCLSA-N 1 1 374.363 3.418 20 5 FGBDMO CN(CC[N@@H+](C)C1CC1)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000472678594 502416328 /nfs/dbraw/zinc/41/63/28/502416328.db2.gz PUTVETQVASWOJZ-UHFFFAOYSA-N 1 1 356.426 3.099 20 5 FGBDMO COc1c(C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)cccc1[N+](=O)[O-] ZINC000476566552 502528080 /nfs/dbraw/zinc/52/80/80/502528080.db2.gz WZUOIIJIUMLEQK-UHFFFAOYSA-N 1 1 369.421 3.492 20 5 FGBDMO Cc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000484160448 502589736 /nfs/dbraw/zinc/58/97/36/502589736.db2.gz HUQKOSQFYGWILI-UTKZUKDTSA-N 1 1 369.465 3.191 20 5 FGBDMO O=[N+]([O-])c1cccc(C[N@H+](CCO)Cc2cccc(Br)c2)c1 ZINC000488179825 502648988 /nfs/dbraw/zinc/64/89/88/502648988.db2.gz RNLLQAZVRPOREG-UHFFFAOYSA-N 1 1 365.227 3.352 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cc4ccc(F)cc4[nH]3)C2)nc1 ZINC000488329873 502685225 /nfs/dbraw/zinc/68/52/25/502685225.db2.gz PKJAKCHGDMXDRO-AWEZNQCLSA-N 1 1 355.373 3.297 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)[C@@H]1C ZINC000470157564 502685286 /nfs/dbraw/zinc/68/52/86/502685286.db2.gz ZIPHGEDBQDOAJW-IUODEOHRSA-N 1 1 374.393 3.247 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000488484637 502728032 /nfs/dbraw/zinc/72/80/32/502728032.db2.gz VEPNPXQGDJYMRI-IFXJQAMLSA-N 1 1 371.412 3.374 20 5 FGBDMO CC[C@H]1Cc2ccccc2C[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000466934456 502731889 /nfs/dbraw/zinc/73/18/89/502731889.db2.gz PAGRJBLTHWMOIP-ROUUACIJSA-N 1 1 356.422 3.171 20 5 FGBDMO 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C[N@H+]1CCCC[C@@H](CNC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000599156945 506352025 /nfs/dbraw/zinc/35/20/25/506352025.db2.gz LLXMYOCAXRPVQP-WMZOPIPTSA-N 1 1 374.485 3.216 20 5 FGBDMO CC[N@H+]1C[C@H](C)N(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000498251180 503142354 /nfs/dbraw/zinc/14/23/54/503142354.db2.gz KSVGTPHFMUBQDL-CVEARBPZSA-N 1 1 362.474 3.042 20 5 FGBDMO O=C(Nc1cccc([N+](=O)[O-])c1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000490418200 503170542 /nfs/dbraw/zinc/17/05/42/503170542.db2.gz NOVWPXCLYYZCAR-UHFFFAOYSA-N 1 1 359.292 3.365 20 5 FGBDMO CCn1nc(C)c(C[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1C ZINC000602927617 506356497 /nfs/dbraw/zinc/35/64/97/506356497.db2.gz XFPRFNMDGUCKBC-UHFFFAOYSA-N 1 1 373.457 3.197 20 5 FGBDMO CCc1cc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506962598 503201758 /nfs/dbraw/zinc/20/17/58/503201758.db2.gz WRQKVSCJQZWEKV-AEFFLSMTSA-N 1 1 367.453 3.075 20 5 FGBDMO 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UZDHJRIUDGRKDN-HNNXBMFYSA-N 1 1 358.442 3.080 20 5 FGBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000499680860 503455857 /nfs/dbraw/zinc/45/58/57/503455857.db2.gz IZVLJSPGWUSOEO-AWEZNQCLSA-N 1 1 351.472 3.311 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+](Cc2ccc(F)cc2)CC2CC2)c1 ZINC000503681593 503457583 /nfs/dbraw/zinc/45/75/83/503457583.db2.gz DIRIEMAOKRQALT-LJQANCHMSA-N 1 1 374.412 3.386 20 5 FGBDMO O=[N+]([O-])c1cccc(CN2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000593068962 506373320 /nfs/dbraw/zinc/37/33/20/506373320.db2.gz QETSDVOAWBBPLT-LEWJYISDSA-N 1 1 367.449 3.070 20 5 FGBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000508376491 503485280 /nfs/dbraw/zinc/48/52/80/503485280.db2.gz PQYAECMSWKMJQP-HUUCEWRRSA-N 1 1 353.422 3.355 20 5 FGBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000508376491 503485282 /nfs/dbraw/zinc/48/52/82/503485282.db2.gz PQYAECMSWKMJQP-HUUCEWRRSA-N 1 1 353.422 3.355 20 5 FGBDMO CNc1ccc(C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000516597360 503545615 /nfs/dbraw/zinc/54/56/15/503545615.db2.gz DXKAWSHYMVQSRZ-OKILXGFUSA-N 1 1 362.474 3.123 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC000500109415 503556024 /nfs/dbraw/zinc/55/60/24/503556024.db2.gz CMMRPCOWOJYCKP-STQMWFEESA-N 1 1 351.472 3.262 20 5 FGBDMO COc1ccc([C@@H]2CC[N@H+](CC(=O)Nc3c(C)cccc3[N+](=O)[O-])C2)cc1 ZINC000504504979 503581517 /nfs/dbraw/zinc/58/15/17/503581517.db2.gz WXTYOZFQUHENJX-MRXNPFEDSA-N 1 1 369.421 3.340 20 5 FGBDMO COc1ccc([C@@H]2CC[N@@H+](CC(=O)Nc3c(C)cccc3[N+](=O)[O-])C2)cc1 ZINC000504504979 503581520 /nfs/dbraw/zinc/58/15/20/503581520.db2.gz WXTYOZFQUHENJX-MRXNPFEDSA-N 1 1 369.421 3.340 20 5 FGBDMO CCOc1ccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1F ZINC000494931564 503637907 /nfs/dbraw/zinc/63/79/07/503637907.db2.gz AZPWOBNYCYLJEO-CQSZACIVSA-N 1 1 360.389 3.214 20 5 FGBDMO CCCOc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000536638572 503654207 /nfs/dbraw/zinc/65/42/07/503654207.db2.gz MNELPYPJJICMCY-UHFFFAOYSA-N 1 1 356.426 3.101 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CC[NH+](C/C=C\c3ccc(Cl)cc3)CC2)cn1 ZINC000527050340 503659061 /nfs/dbraw/zinc/65/90/61/503659061.db2.gz AAVKWKNYCURUNW-UPHRSURJSA-N 1 1 358.829 3.479 20 5 FGBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cnc(N2CCCC2)nc1 ZINC000536656212 503663436 /nfs/dbraw/zinc/66/34/36/503663436.db2.gz OOKPJKQVYOAXJF-UHFFFAOYSA-N 1 1 355.442 3.396 20 5 FGBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cnc(N2CCCC2)nc1 ZINC000536656212 503663439 /nfs/dbraw/zinc/66/34/39/503663439.db2.gz OOKPJKQVYOAXJF-UHFFFAOYSA-N 1 1 355.442 3.396 20 5 FGBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCCC3(CCCCC3)C2)cc1 ZINC000543206265 503677863 /nfs/dbraw/zinc/67/78/63/503677863.db2.gz UDZMRAIWLWZPAH-UHFFFAOYSA-N 1 1 366.483 3.415 20 5 FGBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCCC3(CCCCC3)C2)cc1 ZINC000543206265 503677869 /nfs/dbraw/zinc/67/78/69/503677869.db2.gz UDZMRAIWLWZPAH-UHFFFAOYSA-N 1 1 366.483 3.415 20 5 FGBDMO Cc1ccc([C@H]2CC[N@H+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000543254179 503700688 /nfs/dbraw/zinc/70/06/88/503700688.db2.gz UHEYYBYXXRQMSY-KRWDZBQOSA-N 1 1 353.422 3.356 20 5 FGBDMO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(OCC(F)(F)F)cc1 ZINC000540361883 503749641 /nfs/dbraw/zinc/74/96/41/503749641.db2.gz BCUMOKGVQHXDGX-SNVBAGLBSA-N 1 1 358.320 3.120 20 5 FGBDMO O=C1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCN1Cc1ccccc1 ZINC000543399026 503754417 /nfs/dbraw/zinc/75/44/17/503754417.db2.gz VFBQTPOEIBMIKK-QGZVFWFLSA-N 1 1 359.813 3.139 20 5 FGBDMO CCc1ccc([C@@H]([NH2+][C@H]2CCC(=O)N(C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543402220 503755548 /nfs/dbraw/zinc/75/55/48/503755548.db2.gz GKVLZCCYOZOJBD-LIRRHRJNSA-N 1 1 357.410 3.050 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(c2ccccc2)CC1 ZINC000533221597 503765146 /nfs/dbraw/zinc/76/51/46/503765146.db2.gz PMDOMXRUTMVRLY-UHFFFAOYSA-N 1 1 369.421 3.422 20 5 FGBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000543646616 503840125 /nfs/dbraw/zinc/84/01/25/503840125.db2.gz RARPACXHWDVLJV-ZDUSSCGKSA-N 1 1 352.410 3.368 20 5 FGBDMO CCSc1cccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000546741966 503860498 /nfs/dbraw/zinc/86/04/98/503860498.db2.gz VBZWRTMABMMOBI-UHFFFAOYSA-N 1 1 358.467 3.424 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000543745039 503876009 /nfs/dbraw/zinc/87/60/09/503876009.db2.gz LCUBOAVYABPZAV-CYBMUJFWSA-N 1 1 351.472 3.169 20 5 FGBDMO C[C@H]1C[C@H](CCNC(=O)c2ccc([N+](=O)[O-])cn2)C[N@H+]1Cc1ccccc1 ZINC000533574106 503894185 /nfs/dbraw/zinc/89/41/85/503894185.db2.gz ZCIQJYLFUIXZCL-RDJZCZTQSA-N 1 1 368.437 3.020 20 5 FGBDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000533827634 503963472 /nfs/dbraw/zinc/96/34/72/503963472.db2.gz SGMBRSXTLBOBEU-KRWDZBQOSA-N 1 1 359.813 3.094 20 5 FGBDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000533827634 503963480 /nfs/dbraw/zinc/96/34/80/503963480.db2.gz SGMBRSXTLBOBEU-KRWDZBQOSA-N 1 1 359.813 3.094 20 5 FGBDMO C[C@@H]1CC[C@]2(CC[N@@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C2)C1 ZINC000541023918 503978016 /nfs/dbraw/zinc/97/80/16/503978016.db2.gz KCBIEZLLDIBUGC-KUHUBIRLSA-N 1 1 359.426 3.405 20 5 FGBDMO C[NH+](C)[C@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000533993146 504012432 /nfs/dbraw/zinc/01/24/32/504012432.db2.gz WXCDSHSECSROOU-KRWDZBQOSA-N 1 1 361.829 3.210 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000547285490 504047905 /nfs/dbraw/zinc/04/79/05/504047905.db2.gz ZWYLEDFZXFNYSN-ZDUSSCGKSA-N 1 1 351.422 3.002 20 5 FGBDMO CC(C)C[C@@H]1CCCC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000541278088 504071133 /nfs/dbraw/zinc/07/11/33/504071133.db2.gz KUAAZIVGJXCFEI-INIZCTEOSA-N 1 1 354.472 3.269 20 5 FGBDMO CC(C)C[C@@H]1CCCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000541278088 504071137 /nfs/dbraw/zinc/07/11/37/504071137.db2.gz KUAAZIVGJXCFEI-INIZCTEOSA-N 1 1 354.472 3.269 20 5 FGBDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000534292914 504099126 /nfs/dbraw/zinc/09/91/26/504099126.db2.gz GOSRRRKBANOVPD-QGZVFWFLSA-N 1 1 362.389 3.060 20 5 FGBDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000534292914 504099130 /nfs/dbraw/zinc/09/91/30/504099130.db2.gz GOSRRRKBANOVPD-QGZVFWFLSA-N 1 1 362.389 3.060 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000544421583 504127064 /nfs/dbraw/zinc/12/70/64/504127064.db2.gz LOQTUHLHNMDPPP-JKSUJKDBSA-N 1 1 374.485 3.084 20 5 FGBDMO C[N@@H+](CCNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])C1CCCC1 ZINC000538345393 504216176 /nfs/dbraw/zinc/21/61/76/504216176.db2.gz NVUFAPFAFMQVCO-UHFFFAOYSA-N 1 1 368.437 3.261 20 5 FGBDMO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000544765981 504250937 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/nfs/dbraw/zinc/39/29/32/504392932.db2.gz KSQIMBDPDBPMQP-JXFKEZNVSA-N 1 1 367.449 3.466 20 5 FGBDMO Cn1cc[nH+]c1N1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000531904062 504465824 /nfs/dbraw/zinc/46/58/24/504465824.db2.gz KJJBYCKKGMJEFC-UHFFFAOYSA-N 1 1 371.444 3.084 20 5 FGBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000539199298 504496784 /nfs/dbraw/zinc/49/67/84/504496784.db2.gz DJDQSXINYSAOLP-GOEBONIOSA-N 1 1 368.437 3.202 20 5 FGBDMO C[N@H+]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C2(CCCCC2)C1 ZINC000535706438 504513310 /nfs/dbraw/zinc/51/33/10/504513310.db2.gz ZHMCYHVTNVUUCQ-UHFFFAOYSA-N 1 1 356.426 3.167 20 5 FGBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000548934894 504626703 /nfs/dbraw/zinc/62/67/03/504626703.db2.gz WFALIIJJAVPQPB-HKUYNNGSSA-N 1 1 359.470 3.250 20 5 FGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000548934894 504626710 /nfs/dbraw/zinc/62/67/10/504626710.db2.gz WFALIIJJAVPQPB-HKUYNNGSSA-N 1 1 359.470 3.250 20 5 FGBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000521070577 504643835 /nfs/dbraw/zinc/64/38/35/504643835.db2.gz UVUXYLAPABOMMD-AWEZNQCLSA-N 1 1 363.458 3.234 20 5 FGBDMO C[C@@H]1C[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@@H]2CCCC[C@H]21 ZINC000542974845 504679710 /nfs/dbraw/zinc/67/97/10/504679710.db2.gz LIUTWNVJYNMALF-VNQPRFMTSA-N 1 1 359.426 3.403 20 5 FGBDMO CCC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000532585928 504703020 /nfs/dbraw/zinc/70/30/20/504703020.db2.gz TVFZATJJGLZBNQ-XWIAVFTESA-N 1 1 361.442 3.059 20 5 FGBDMO COc1ccc2c(c1)CC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])CC2 ZINC000536344308 504704858 /nfs/dbraw/zinc/70/48/58/504704858.db2.gz DGFXGKCBBKVRIP-UHFFFAOYSA-N 1 1 372.421 3.092 20 5 FGBDMO O=C(NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000552872441 504779793 /nfs/dbraw/zinc/77/97/93/504779793.db2.gz ACLHSMBBAVJDFK-SFHVURJKSA-N 1 1 365.389 3.449 20 5 FGBDMO C[NH+]1CCN(CCCCNc2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000552939700 504791414 /nfs/dbraw/zinc/79/14/14/504791414.db2.gz VFJMKCXHTFFRGL-UHFFFAOYSA-N 1 1 361.273 3.341 20 5 FGBDMO COc1ccccc1[C@@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000559149578 504792586 /nfs/dbraw/zinc/79/25/86/504792586.db2.gz JVKQUJBUMRFOCM-OAHLLOKOSA-N 1 1 370.327 3.445 20 5 FGBDMO CCC[N@@H+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccc(Cl)cc1 ZINC000553028937 504808513 /nfs/dbraw/zinc/80/85/13/504808513.db2.gz UCNUVCZJQOBIOT-OAHLLOKOSA-N 1 1 364.833 3.389 20 5 FGBDMO COC(=O)[C@@H](C)Oc1ccc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000549808855 504903553 /nfs/dbraw/zinc/90/35/53/504903553.db2.gz YIGZNSYYFHEYHO-OAHLLOKOSA-N 1 1 372.421 3.210 20 5 FGBDMO CCOC(=O)C1CCC([N@@H+](CC)Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000549823563 504907937 /nfs/dbraw/zinc/90/79/37/504907937.db2.gz CBJKXADVQZXXCB-UHFFFAOYSA-N 1 1 350.415 3.244 20 5 FGBDMO CC(C)[N@H+](C)CC1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 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BTUBXWJRHYOQLA-GOSISDBHSA-N 1 1 354.385 3.389 20 5 FGBDMO CC[C@@H]1CCCC[N@H+]1CCN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000560524946 505114412 /nfs/dbraw/zinc/11/44/12/505114412.db2.gz RXOOLLQYPUBSRT-IEBWSBKVSA-N 1 1 371.485 3.272 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]C[C@H](CO)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000550894090 505121664 /nfs/dbraw/zinc/12/16/64/505121664.db2.gz BBZHORUCCCCYRR-MJGOQNOKSA-N 1 1 372.469 3.196 20 5 FGBDMO COc1cccc(C(=O)NCC[N@@H+]2CC=C(C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000560648937 505153374 /nfs/dbraw/zinc/15/33/74/505153374.db2.gz SJTQUEPWMRYHRW-UHFFFAOYSA-N 1 1 361.442 3.011 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000557570828 505170036 /nfs/dbraw/zinc/17/00/36/505170036.db2.gz ZXNBYNOFIJLTDR-CHWSQXEVSA-N 1 1 351.472 3.260 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000557570828 505170041 /nfs/dbraw/zinc/17/00/41/505170041.db2.gz ZXNBYNOFIJLTDR-CHWSQXEVSA-N 1 1 351.472 3.260 20 5 FGBDMO C[C@]1(CNc2cccc(C(N)=O)c2[N+](=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000557662342 505196323 /nfs/dbraw/zinc/19/63/23/505196323.db2.gz LURFUSNTURBFJZ-HXUWFJFHSA-N 1 1 368.437 3.160 20 5 FGBDMO C[C@H]1CC[C@H]([N@@H+](CCO)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000554935887 505303927 /nfs/dbraw/zinc/30/39/27/505303927.db2.gz YSDCPAFWJATTIV-HOCLYGCPSA-N 1 1 359.426 3.275 20 5 FGBDMO CCN1CC[NH+](CCCNc2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000555119779 505355071 /nfs/dbraw/zinc/35/50/71/505355071.db2.gz LDBQNMOIBJOGJJ-UHFFFAOYSA-N 1 1 374.407 3.362 20 5 FGBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000561746751 505424865 /nfs/dbraw/zinc/42/48/65/505424865.db2.gz NCQVRVSAQNBRAK-DAYGRLMNSA-N 1 1 359.470 3.061 20 5 FGBDMO C[C@@H](C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000558689936 505464379 /nfs/dbraw/zinc/46/43/79/505464379.db2.gz SXTMLSHTEUHTGM-JKSUJKDBSA-N 1 1 367.449 3.261 20 5 FGBDMO CCCC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000555866164 505529607 /nfs/dbraw/zinc/52/96/07/505529607.db2.gz ANOUSVFEORKOQA-UHFFFAOYSA-N 1 1 372.263 3.127 20 5 FGBDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596461237 506416488 /nfs/dbraw/zinc/41/64/88/506416488.db2.gz FCHUOVMUUORHKU-HNNXBMFYSA-N 1 1 360.845 3.396 20 5 FGBDMO O=[N+]([O-])c1ccc2c(c1)nccc2N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000596514077 506441587 /nfs/dbraw/zinc/44/15/87/506441587.db2.gz HIQBQMQCZFFLQW-RTBURBONSA-N 1 1 368.437 3.198 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000612174768 506473105 /nfs/dbraw/zinc/47/31/05/506473105.db2.gz SNAFYDGOGDQEES-UGSOOPFHSA-N 1 1 373.384 3.214 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000612174768 506473106 /nfs/dbraw/zinc/47/31/06/506473106.db2.gz SNAFYDGOGDQEES-UGSOOPFHSA-N 1 1 373.384 3.214 20 5 FGBDMO O=C(CC[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000612174206 506473275 /nfs/dbraw/zinc/47/32/75/506473275.db2.gz APGBKMPNYVEKPO-GOSISDBHSA-N 1 1 373.384 3.216 20 5 FGBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000593226034 506479812 /nfs/dbraw/zinc/47/98/12/506479812.db2.gz HLVSSGCCOGPMGL-BZUAXINKSA-N 1 1 370.453 3.057 20 5 FGBDMO CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@H](CC(N)=O)C2)cc1[N+](=O)[O-] ZINC000589209420 506485215 /nfs/dbraw/zinc/48/52/15/506485215.db2.gz MIONGFJVIZGVKG-MRXNPFEDSA-N 1 1 368.437 3.060 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC3(CCOCC3)CC[C@H]2CO)c(Cl)c1 ZINC000599543651 506492865 /nfs/dbraw/zinc/49/28/65/506492865.db2.gz VOLZTTALAKQOIB-HNNXBMFYSA-N 1 1 354.834 3.002 20 5 FGBDMO C[C@@H]1CC[N@@H+](CCOc2ccc(-c3cc([N+](=O)[O-])ccc3CO)cc2)C1 ZINC000596634994 506501015 /nfs/dbraw/zinc/50/10/15/506501015.db2.gz USTAWMXONYKLON-OAHLLOKOSA-N 1 1 356.422 3.475 20 5 FGBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCCN4c5ccccc5C[C@H]4C3)nc2c1 ZINC000589279326 506505329 /nfs/dbraw/zinc/50/53/29/506505329.db2.gz MTEMRVPPJUSFKU-INIZCTEOSA-N 1 1 364.405 3.373 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC(F)(F)C[C@@H]1C ZINC000599623385 506535495 /nfs/dbraw/zinc/53/54/95/506535495.db2.gz PDKIFTPIQCPGFD-NSHDSACASA-N 1 1 357.357 3.052 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+][C@@H]1CNc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000593321490 506538804 /nfs/dbraw/zinc/53/88/04/506538804.db2.gz XTHDKDHVGNVBDR-LPHOPBHVSA-N 1 1 363.421 3.044 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000589510765 506573709 /nfs/dbraw/zinc/57/37/09/506573709.db2.gz NZEFOGARDAPSSK-FQEVSTJZSA-N 1 1 368.389 3.013 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000589510765 506573714 /nfs/dbraw/zinc/57/37/14/506573714.db2.gz NZEFOGARDAPSSK-FQEVSTJZSA-N 1 1 368.389 3.013 20 5 FGBDMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cc([N+](=O)[O-])cn3C)cc2)C1 ZINC000603668756 506592554 /nfs/dbraw/zinc/59/25/54/506592554.db2.gz OPWFFOXQQTZOHJ-AWEZNQCLSA-N 1 1 356.426 3.418 20 5 FGBDMO CCN(C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@H]1CC[N@@H+](C)C1 ZINC000596830154 506623563 /nfs/dbraw/zinc/62/35/63/506623563.db2.gz ZJFUTYPFDABSPS-NSHDSACASA-N 1 1 360.336 3.172 20 5 FGBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599831325 506663543 /nfs/dbraw/zinc/66/35/43/506663543.db2.gz LJNPEMQLQACJHJ-CQSZACIVSA-N 1 1 371.441 3.481 20 5 FGBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1COc2ccccc2O1 ZINC000604012608 506685585 /nfs/dbraw/zinc/68/55/85/506685585.db2.gz WEELUWQOUXPPRV-QGZVFWFLSA-N 1 1 358.394 3.136 20 5 FGBDMO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000604104533 506715187 /nfs/dbraw/zinc/71/51/87/506715187.db2.gz RBYRYIMEAWPRKZ-HNNXBMFYSA-N 1 1 362.817 3.143 20 5 FGBDMO CCc1ccc([C@@H]2CN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])CC[NH2+]2)cc1 ZINC000593684261 506729647 /nfs/dbraw/zinc/72/96/47/506729647.db2.gz PIGQGJWJDZMTFI-SFHVURJKSA-N 1 1 371.412 3.012 20 5 FGBDMO CCc1ccc([C@H]2CN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])CC[NH2+]2)cc1 ZINC000593684260 506729825 /nfs/dbraw/zinc/72/98/25/506729825.db2.gz PIGQGJWJDZMTFI-GOSISDBHSA-N 1 1 371.412 3.012 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C[C@H]1C ZINC000597101658 506775796 /nfs/dbraw/zinc/77/57/96/506775796.db2.gz KUBDSVQEEAHDGT-ZYHUDNBSSA-N 1 1 369.853 3.167 20 5 FGBDMO CCOc1ccc(-c2nc(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)no2)cc1[N+](=O)[O-] ZINC000612954174 506835815 /nfs/dbraw/zinc/83/58/15/506835815.db2.gz CMHKLXLPNNXROP-AGUYFDCRSA-N 1 1 358.398 3.384 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(C)([NH+]2CCOCC2)CC1 ZINC000600201465 506840602 /nfs/dbraw/zinc/84/06/02/506840602.db2.gz MUEABLLPQRNWMJ-SAPNQHFASA-N 1 1 359.470 3.185 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c([N+](=O)[O-])cc1OC ZINC000597226688 506846029 /nfs/dbraw/zinc/84/60/29/506846029.db2.gz VYYYWNWTNIRVIV-WMLDXEAASA-N 1 1 364.442 3.393 20 5 FGBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCCc2ccccc21 ZINC000604495948 506850532 /nfs/dbraw/zinc/85/05/32/506850532.db2.gz HQTBGMLOBRGJKB-PXNSSMCTSA-N 1 1 356.422 3.344 20 5 FGBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000600228289 506860058 /nfs/dbraw/zinc/86/00/58/506860058.db2.gz ISHICMJJAGMAHV-CQSZACIVSA-N 1 1 351.834 3.385 20 5 FGBDMO C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000604535251 506865694 /nfs/dbraw/zinc/86/56/94/506865694.db2.gz OTCWTGWCCFWKOK-YJBOKZPZSA-N 1 1 368.437 3.079 20 5 FGBDMO C[NH+](C)[C@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000609548721 506919782 /nfs/dbraw/zinc/91/97/82/506919782.db2.gz ZORSDRMTBZVOHZ-KRWDZBQOSA-N 1 1 361.829 3.210 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000609553345 506919928 /nfs/dbraw/zinc/91/99/28/506919928.db2.gz PGZDGYLKICYUGB-CQSZACIVSA-N 1 1 372.425 3.245 20 5 FGBDMO Cc1ccc(N2CCC(c3nc(-c4ccc([N+](=O)[O-])o4)no3)CC2)[nH+]c1 ZINC000590778860 506949528 /nfs/dbraw/zinc/94/95/28/506949528.db2.gz QNIFYLVOLRYYIQ-UHFFFAOYSA-N 1 1 355.354 3.325 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000609631609 506953895 /nfs/dbraw/zinc/95/38/95/506953895.db2.gz GDZXTOGMNINWSO-YSVLISHTSA-N 1 1 361.442 3.443 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594196778 507001555 /nfs/dbraw/zinc/00/15/55/507001555.db2.gz MNGRRQJRGJQDRC-QRQLOZEOSA-N 1 1 359.470 3.297 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594200269 507002502 /nfs/dbraw/zinc/00/25/02/507002502.db2.gz KKFQPLYRHMXGBX-JQFCIGGWSA-N 1 1 363.483 3.209 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594231107 507027595 /nfs/dbraw/zinc/02/75/95/507027595.db2.gz AIUGHQLTALZUOZ-UAGQMJEPSA-N 1 1 360.458 3.280 20 5 FGBDMO COc1cc(C[NH2+]C(C)(C)C(=O)Nc2ccccc2)c([N+](=O)[O-])cc1F ZINC000613382977 507059699 /nfs/dbraw/zinc/05/96/99/507059699.db2.gz APJXZAQNJHNQLR-UHFFFAOYSA-N 1 1 361.373 3.249 20 5 FGBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000594283357 507061375 /nfs/dbraw/zinc/06/13/75/507061375.db2.gz GMCUUBPTGDGZNL-MOPGFXCFSA-N 1 1 372.469 3.286 20 5 FGBDMO COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000613383412 507061347 /nfs/dbraw/zinc/06/13/47/507061347.db2.gz QKEYYBRIPMKWEW-ZDUSSCGKSA-N 1 1 368.405 3.154 20 5 FGBDMO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000613383412 507061352 /nfs/dbraw/zinc/06/13/52/507061352.db2.gz QKEYYBRIPMKWEW-ZDUSSCGKSA-N 1 1 368.405 3.154 20 5 FGBDMO C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000609995728 507066098 /nfs/dbraw/zinc/06/60/98/507066098.db2.gz JFVACOUASDFZPC-GOEBONIOSA-N 1 1 356.426 3.048 20 5 FGBDMO Cc1ccc(C[C@H](C)[N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000610003492 507067903 /nfs/dbraw/zinc/06/79/03/507067903.db2.gz BDGYCGVNHLWBTN-LPHOPBHVSA-N 1 1 358.438 3.206 20 5 FGBDMO Cc1ccc(NCCCNC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000610091190 507097272 /nfs/dbraw/zinc/09/72/72/507097272.db2.gz RRKLQHGWQVZGED-OWCLPIDISA-N 1 1 362.474 3.083 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000597859863 507137601 /nfs/dbraw/zinc/13/76/01/507137601.db2.gz ZRCBDZFFMDVUFN-AWEZNQCLSA-N 1 1 374.466 3.321 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000597859549 507137961 /nfs/dbraw/zinc/13/79/61/507137961.db2.gz FMIFOIXZZNZDKH-LLVKDONJSA-N 1 1 373.375 3.464 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000597861681 507138837 /nfs/dbraw/zinc/13/88/37/507138837.db2.gz VGDIVNABRKJWBN-NSHDSACASA-N 1 1 371.384 3.046 20 5 FGBDMO COC[C@@H](CC(C)(C)C)[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000594514073 507165262 /nfs/dbraw/zinc/16/52/62/507165262.db2.gz GLQBWTWUYXWWKT-NVXWUHKLSA-N 1 1 360.458 3.459 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000597921916 507175894 /nfs/dbraw/zinc/17/58/94/507175894.db2.gz HULDUVWBHFGZKT-GFCCVEGCSA-N 1 1 371.890 3.329 20 5 FGBDMO COc1cc(C[N@@H+]2CCC[C@@H](OC3CCC3)C2)c([N+](=O)[O-])cc1OC ZINC000594614531 507213902 /nfs/dbraw/zinc/21/39/02/507213902.db2.gz XLLJLAYDXBGCES-OAHLLOKOSA-N 1 1 350.415 3.146 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@@H](OC3CCC3)C2)c([N+](=O)[O-])cc1OC ZINC000594614531 507213904 /nfs/dbraw/zinc/21/39/04/507213904.db2.gz XLLJLAYDXBGCES-OAHLLOKOSA-N 1 1 350.415 3.146 20 5 FGBDMO O=[N+]([O-])c1ncccc1N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000610469443 507251384 /nfs/dbraw/zinc/25/13/84/507251384.db2.gz SRHHATCKRXZNDB-FQEVSTJZSA-N 1 1 352.438 3.482 20 5 FGBDMO COc1cc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)ccc1Cl ZINC000601150275 507279128 /nfs/dbraw/zinc/27/91/28/507279128.db2.gz UWOMOCMAURYAEJ-KRWDZBQOSA-N 1 1 350.802 3.254 20 5 FGBDMO CCn1c(SCCCc2c[nH+]cn2C)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000594893284 507306478 /nfs/dbraw/zinc/30/64/78/507306478.db2.gz WIVMUKGUDPPJAG-UHFFFAOYSA-N 1 1 372.454 3.332 20 5 FGBDMO Cc1cccc(C(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000598195205 507307091 /nfs/dbraw/zinc/30/70/91/507307091.db2.gz LZVFXQVTLZWNIO-SFHVURJKSA-N 1 1 367.449 3.292 20 5 FGBDMO CC(C)(C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000598220519 507324825 /nfs/dbraw/zinc/32/48/25/507324825.db2.gz QFFZRTMFHBHTFZ-OAHLLOKOSA-N 1 1 359.470 3.396 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000610712172 507359060 /nfs/dbraw/zinc/35/90/60/507359060.db2.gz QRQVVEOHDVFMHH-INIZCTEOSA-N 1 1 357.385 3.080 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCc2ccccc2NC1=O ZINC000595045772 507366901 /nfs/dbraw/zinc/36/69/01/507366901.db2.gz GSFTYWSVVAQNCN-PXAZEXFGSA-N 1 1 355.394 3.208 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000601465698 507368355 /nfs/dbraw/zinc/36/83/55/507368355.db2.gz WRBKSZNRFBZXLM-SFHVURJKSA-N 1 1 371.412 3.374 20 5 FGBDMO COc1ccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c(C)c1OC ZINC000584556631 507408839 /nfs/dbraw/zinc/40/88/39/507408839.db2.gz MZGUHYSKMBKSMN-UHFFFAOYSA-N 1 1 371.437 3.243 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CCOCC3(CCCC3)C2)cccc1[N+](=O)[O-] ZINC000614222882 507412332 /nfs/dbraw/zinc/41/23/32/507412332.db2.gz NNJRCJWRHAPDEK-UHFFFAOYSA-N 1 1 361.442 3.124 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601701959 507431498 /nfs/dbraw/zinc/43/14/98/507431498.db2.gz QVWLHPTXMQOTGJ-HOCLYGCPSA-N 1 1 371.412 3.232 20 5 FGBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1)c1ccccc1 ZINC000595342198 507465429 /nfs/dbraw/zinc/46/54/29/507465429.db2.gz LOPGKAOKAKAUEL-HNNXBMFYSA-N 1 1 371.412 3.376 20 5 FGBDMO O=C(NC[C@@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1)c1ccccc1 ZINC000595342198 507465437 /nfs/dbraw/zinc/46/54/37/507465437.db2.gz LOPGKAOKAKAUEL-HNNXBMFYSA-N 1 1 371.412 3.376 20 5 FGBDMO O=C1CCCN1C[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000595409672 507484832 /nfs/dbraw/zinc/48/48/32/507484832.db2.gz FPWJBMIBPZLODM-QGZVFWFLSA-N 1 1 357.385 3.187 20 5 FGBDMO COc1ccnc(C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)c1 ZINC000592131257 507496189 /nfs/dbraw/zinc/49/61/89/507496189.db2.gz VCNXSMXIRBFBCI-IYARVYRRSA-N 1 1 371.437 3.304 20 5 FGBDMO COc1ccnc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)c1 ZINC000592131257 507496197 /nfs/dbraw/zinc/49/61/97/507496197.db2.gz VCNXSMXIRBFBCI-IYARVYRRSA-N 1 1 371.437 3.304 20 5 FGBDMO C[C@@H](NC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000595481030 507522663 /nfs/dbraw/zinc/52/26/63/507522663.db2.gz MZABUVNBHPUDAI-ZBFHGGJFSA-N 1 1 360.458 3.362 20 5 FGBDMO C[C@H](NC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000595481012 507523411 /nfs/dbraw/zinc/52/34/11/507523411.db2.gz MWHSGCIOKDRUEO-GOEBONIOSA-N 1 1 360.458 3.077 20 5 FGBDMO C[C@@H]1CC2(C[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CCOCC2 ZINC000592184042 507526957 /nfs/dbraw/zinc/52/69/57/507526957.db2.gz XWGGQOFCKMAHQV-GFCCVEGCSA-N 1 1 367.833 3.078 20 5 FGBDMO C[C@@H]1CC2(C[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CCOCC2 ZINC000592184042 507526963 /nfs/dbraw/zinc/52/69/63/507526963.db2.gz XWGGQOFCKMAHQV-GFCCVEGCSA-N 1 1 367.833 3.078 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H](C(F)F)C1CCCCC1 ZINC000598647366 507530717 /nfs/dbraw/zinc/53/07/17/507530717.db2.gz AIFNNNFDACWIBJ-XJKSGUPXSA-N 1 1 358.385 3.138 20 5 FGBDMO O=C1N[C@@H]2CCCC[C@@H]2C[C@@H]1[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000595524333 507543635 /nfs/dbraw/zinc/54/36/35/507543635.db2.gz LXMLYUSWIJUSGN-RWQQGDIJSA-N 1 1 357.454 3.222 20 5 FGBDMO Cc1noc(C[N@@H+]2CCCC[C@@H]2CCC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000595545075 507554246 /nfs/dbraw/zinc/55/42/46/507554246.db2.gz ZHDLOLPMNCRQGD-CYBMUJFWSA-N 1 1 353.419 3.368 20 5 FGBDMO Cc1noc(C[N@H+]2CCCC[C@@H]2CCC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000595545075 507554252 /nfs/dbraw/zinc/55/42/52/507554252.db2.gz ZHDLOLPMNCRQGD-CYBMUJFWSA-N 1 1 353.419 3.368 20 5 FGBDMO CCOc1ccc(C[N@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000611252172 507581250 /nfs/dbraw/zinc/58/12/50/507581250.db2.gz XTMGSUAIWUZODV-UHFFFAOYSA-N 1 1 358.394 3.397 20 5 FGBDMO CCOc1ccc(C[N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000611252172 507581257 /nfs/dbraw/zinc/58/12/57/507581257.db2.gz XTMGSUAIWUZODV-UHFFFAOYSA-N 1 1 358.394 3.397 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCS[C@H]3CCCC[C@H]31)OCCO2 ZINC000611274240 507599496 /nfs/dbraw/zinc/59/94/96/507599496.db2.gz DIIWREZJHMKSJU-DYVFJYSZSA-N 1 1 350.440 3.226 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCS[C@H]3CCCC[C@H]31)OCCO2 ZINC000611274240 507599504 /nfs/dbraw/zinc/59/95/04/507599504.db2.gz DIIWREZJHMKSJU-DYVFJYSZSA-N 1 1 350.440 3.226 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C(C)(C)c1ccccc1 ZINC000585754559 507617119 /nfs/dbraw/zinc/61/71/19/507617119.db2.gz QXUIZSVVOQHQJR-UHFFFAOYSA-N 1 1 357.410 3.409 20 5 FGBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000598888452 507663619 /nfs/dbraw/zinc/66/36/19/507663619.db2.gz LRSSDMGQBDJLHL-UHFFFAOYSA-N 1 1 369.487 3.176 20 5 FGBDMO NC(=O)c1ccc(C[N@@H+](Cc2ccccc2F)CC2CC2)c([N+](=O)[O-])c1 ZINC000595768392 507676273 /nfs/dbraw/zinc/67/62/73/507676273.db2.gz ZYULOIBFTJIZSE-UHFFFAOYSA-N 1 1 357.385 3.245 20 5 FGBDMO NC(=O)c1ccc(C[N@H+](Cc2ccccc2F)CC2CC2)c([N+](=O)[O-])c1 ZINC000595768392 507676277 /nfs/dbraw/zinc/67/62/77/507676277.db2.gz ZYULOIBFTJIZSE-UHFFFAOYSA-N 1 1 357.385 3.245 20 5 FGBDMO C[N@@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H](c2ccccc2)C1 ZINC000611432319 507680085 /nfs/dbraw/zinc/68/00/85/507680085.db2.gz SRBJYPONPOGBOA-QGZVFWFLSA-N 1 1 352.394 3.225 20 5 FGBDMO C[N@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H](c2ccccc2)C1 ZINC000611432319 507680089 /nfs/dbraw/zinc/68/00/89/507680089.db2.gz SRBJYPONPOGBOA-QGZVFWFLSA-N 1 1 352.394 3.225 20 5 FGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000595788442 507685100 /nfs/dbraw/zinc/68/51/00/507685100.db2.gz OCVUJFIQHLHBDG-KSSFIOAISA-N 1 1 361.442 3.203 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@H]([C@@H]4CCCCO4)C3)n2)c1 ZINC000595792242 507688374 /nfs/dbraw/zinc/68/83/74/507688374.db2.gz YSORLLTZLSRZJG-WBVHZDCISA-N 1 1 372.425 3.426 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CCOC(C3CC3)(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000595821810 507700750 /nfs/dbraw/zinc/70/07/50/507700750.db2.gz GRMOIVKVAMNVHR-UHFFFAOYSA-N 1 1 373.453 3.123 20 5 FGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c(F)c1 ZINC000611498028 507708197 /nfs/dbraw/zinc/70/81/97/507708197.db2.gz HCOABHMCUXAFBV-HOTGVXAUSA-N 1 1 372.318 3.358 20 5 FGBDMO Cn1cc(C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)c([N+](=O)[O-])n1 ZINC000602433414 507710973 /nfs/dbraw/zinc/71/09/73/507710973.db2.gz LBLDSUFAYJFXLE-GFCCVEGCSA-N 1 1 357.439 3.318 20 5 FGBDMO Cn1cc(C[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)cn1 ZINC000602483496 507722103 /nfs/dbraw/zinc/72/21/03/507722103.db2.gz LTVAPMIQOXPOQC-LBPRGKRZSA-N 1 1 368.359 3.412 20 5 FGBDMO Cn1cc(C[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)c([N+](=O)[O-])n1 ZINC000602481191 507722466 /nfs/dbraw/zinc/72/24/66/507722466.db2.gz AOVFBMYJKBQSFG-LBPRGKRZSA-N 1 1 361.471 3.043 20 5 FGBDMO O=[N+]([O-])c1ccc2oc(CNc3ccc(C[NH+]4CCOCC4)cc3)nc2c1 ZINC000602490362 507725706 /nfs/dbraw/zinc/72/57/06/507725706.db2.gz TXKKJWROFSNGHV-UHFFFAOYSA-N 1 1 368.393 3.180 20 5 FGBDMO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@@H](c3ccco3)N3CCCC3)nc2c1 ZINC000602505969 507730371 /nfs/dbraw/zinc/73/03/71/507730371.db2.gz QYQJZUDIMDZXAR-HNNXBMFYSA-N 1 1 356.382 3.256 20 5 FGBDMO COc1ccc(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)cn1 ZINC000602512248 507733311 /nfs/dbraw/zinc/73/33/11/507733311.db2.gz WSGTVBBGUXHOMR-UHFFFAOYSA-N 1 1 358.217 3.112 20 5 FGBDMO O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611556848 507737502 /nfs/dbraw/zinc/73/75/02/507737502.db2.gz IGVCRQXRSUGKRI-LJQANCHMSA-N 1 1 369.421 3.257 20 5 FGBDMO CC[N@@H+](CCc1nccs1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000134142442 704813849 /nfs/dbraw/zinc/81/38/49/704813849.db2.gz XSVRKCUIDWZNOE-UHFFFAOYSA-N 1 1 357.439 3.437 20 5 FGBDMO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172413162 705417072 /nfs/dbraw/zinc/41/70/72/705417072.db2.gz WIZQIQUPXUOIEJ-UHFFFAOYSA-N 1 1 351.834 3.339 20 5 FGBDMO C[C@@H](c1ccsc1)[NH+]1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000185477046 712694926 /nfs/dbraw/zinc/69/49/26/712694926.db2.gz YCTVPLNEZORJPL-NSHDSACASA-N 1 1 363.468 3.249 20 5 FGBDMO C[C@H](c1ccsc1)[NH+]1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000185477067 712694941 /nfs/dbraw/zinc/69/49/41/712694941.db2.gz YCTVPLNEZORJPL-LLVKDONJSA-N 1 1 363.468 3.249 20 5 FGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCSC2(CCOCC2)C1 ZINC000186827248 712726832 /nfs/dbraw/zinc/72/68/32/712726832.db2.gz YUMAPLXFLAYYAL-UHFFFAOYSA-N 1 1 366.483 3.480 20 5 FGBDMO CC(C)(O)C[N@H+]1CCc2c(cccc2NCc2csc([N+](=O)[O-])c2)C1 ZINC000374625912 713935170 /nfs/dbraw/zinc/93/51/70/713935170.db2.gz CPJKIKJZAJQDBL-UHFFFAOYSA-N 1 1 361.467 3.397 20 5 FGBDMO Cn1cc[nH+]c1[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413271523 714001759 /nfs/dbraw/zinc/00/17/59/714001759.db2.gz VYOBITFDKDWWRS-SNVBAGLBSA-N 1 1 355.320 3.126 20 5 FGBDMO C[C@@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000804346639 724506313 /nfs/dbraw/zinc/50/63/13/724506313.db2.gz VIEYVSPZQLYCKP-NSHDSACASA-N 1 1 362.411 3.423 20 5 FGBDMO C[C@@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000804346639 724506316 /nfs/dbraw/zinc/50/63/16/724506316.db2.gz VIEYVSPZQLYCKP-NSHDSACASA-N 1 1 362.411 3.423 20 5 FGBDMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000804534061 724525842 /nfs/dbraw/zinc/52/58/42/724525842.db2.gz MEAPNSIZSHISFD-UHFFFAOYSA-N 1 1 359.813 3.205 20 5 FGBDMO O=[N+]([O-])c1cnc(Cl)nc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164628735 719055111 /nfs/dbraw/zinc/05/51/11/719055111.db2.gz ZOPSXHXMUPTMFG-HOCLYGCPSA-N 1 1 373.844 3.139 20 5 FGBDMO COc1cc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)ncc1[N+](=O)[O-] ZINC001164618955 719073085 /nfs/dbraw/zinc/07/30/85/719073085.db2.gz BSWZQFKQDFYODO-SJLPKXTDSA-N 1 1 368.437 3.099 20 5 FGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)OCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000785735843 724933662 /nfs/dbraw/zinc/93/36/62/724933662.db2.gz VAHICZBVQYGDRR-PHIMTYICSA-N 1 1 371.231 3.273 20 5 FGBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cn3nc(Cl)c4ccccc43)CC2)n1 ZINC000782860602 724704950 /nfs/dbraw/zinc/70/49/50/724704950.db2.gz IJYGFYWPFVGJSW-UHFFFAOYSA-N 1 1 360.805 3.089 20 5 FGBDMO O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000715599059 722416112 /nfs/dbraw/zinc/41/61/12/722416112.db2.gz SEALEFMHDKHIQN-CQSZACIVSA-N 1 1 359.813 3.253 20 5 FGBDMO O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000715599059 722416113 /nfs/dbraw/zinc/41/61/13/722416113.db2.gz SEALEFMHDKHIQN-CQSZACIVSA-N 1 1 359.813 3.253 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(N(C)CC(F)F)CC1 ZINC000749844195 722744616 /nfs/dbraw/zinc/74/46/16/722744616.db2.gz KTXMENYPALVZTD-UHFFFAOYSA-N 1 1 357.401 3.155 20 5 FGBDMO C[N@@H+](C1CCCC1)C(C)(C)C(=O)OCCOc1ccc([N+](=O)[O-])cc1 ZINC000754875137 722947324 /nfs/dbraw/zinc/94/73/24/722947324.db2.gz XAMYMQDJZBEWHG-UHFFFAOYSA-N 1 1 350.415 3.170 20 5 FGBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000757259180 722975629 /nfs/dbraw/zinc/97/56/29/722975629.db2.gz DKYHPPUWMNFLPG-AWEZNQCLSA-N 1 1 368.865 3.264 20 5 FGBDMO COC(=O)[C@H](C)C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000761217934 723134234 /nfs/dbraw/zinc/13/42/34/723134234.db2.gz ZNULMOTVWLMNST-SNVBAGLBSA-N 1 1 371.231 3.131 20 5 FGBDMO CN(C)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)cc[nH+]1 ZINC000766585592 723582625 /nfs/dbraw/zinc/58/26/25/723582625.db2.gz QVFGQRZDIMWLIB-UHFFFAOYSA-N 1 1 365.187 3.071 20 5 FGBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC000767874444 723637679 /nfs/dbraw/zinc/63/76/79/723637679.db2.gz FSKGUZAVEMBTCZ-ZDUSSCGKSA-N 1 1 354.332 3.300 20 5 FGBDMO COCC[C@@H]1CCCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000767941418 723640688 /nfs/dbraw/zinc/64/06/88/723640688.db2.gz QUTBCFPEMNFKJE-ZDUSSCGKSA-N 1 1 369.849 3.325 20 5 FGBDMO CN(Cc1c(Br)cccc1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CC2)C1 ZINC000769326308 723682492 /nfs/dbraw/zinc/68/24/92/723682492.db2.gz ITOSGXGRTDTDLM-GFCCVEGCSA-N 1 1 354.248 3.026 20 5 FGBDMO CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000798964421 723980896 /nfs/dbraw/zinc/98/08/96/723980896.db2.gz PYFIPVTZVCPKLM-QGZVFWFLSA-N 1 1 370.833 3.040 20 5 FGBDMO CCOC(=O)[C@]1(COC)CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000798964421 723980897 /nfs/dbraw/zinc/98/08/97/723980897.db2.gz PYFIPVTZVCPKLM-QGZVFWFLSA-N 1 1 370.833 3.040 20 5 FGBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)cc1 ZINC000776590360 724163068 /nfs/dbraw/zinc/16/30/68/724163068.db2.gz CTWKSFSGWKVWKC-IXDOHACOSA-N 1 1 362.451 3.278 20 5 FGBDMO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)OCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000785735843 724933659 /nfs/dbraw/zinc/93/36/59/724933659.db2.gz VAHICZBVQYGDRR-PHIMTYICSA-N 1 1 371.231 3.273 20 5 FGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(C)(C)NC(=O)OC(C)(C)C ZINC000809689353 725258679 /nfs/dbraw/zinc/25/86/79/725258679.db2.gz YXZFBTVXHVYDIO-UHFFFAOYSA-N 1 1 351.447 3.372 20 5 FGBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000809940069 725277197 /nfs/dbraw/zinc/27/71/97/725277197.db2.gz CEELSNWPXNNGHK-SNVBAGLBSA-N 1 1 361.225 3.487 20 5 FGBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000809940069 725277199 /nfs/dbraw/zinc/27/71/99/725277199.db2.gz CEELSNWPXNNGHK-SNVBAGLBSA-N 1 1 361.225 3.487 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000810844851 725330657 /nfs/dbraw/zinc/33/06/57/725330657.db2.gz AWHDBHFPFMVQDO-QEJZJMRPSA-N 1 1 350.440 3.245 20 5 FGBDMO C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1=O ZINC000811481600 725368542 /nfs/dbraw/zinc/36/85/42/725368542.db2.gz GWUZXFZBUHUXHC-YDEJPDAXSA-N 1 1 358.225 3.001 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)c1F ZINC000826791387 729415337 /nfs/dbraw/zinc/41/53/37/729415337.db2.gz VFIRAZMCNCSNNA-TXEJJXNPSA-N 1 1 355.385 3.174 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000827287229 729428140 /nfs/dbraw/zinc/42/81/40/729428140.db2.gz JXQYSNMMVIOJNR-CZUORRHYSA-N 1 1 363.483 3.263 20 5 FGBDMO CC[N@@H+](CCC1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1)CC(C)C ZINC000827795128 729435040 /nfs/dbraw/zinc/43/50/40/729435040.db2.gz XYLHKBBBSHSECY-UHFFFAOYSA-N 1 1 355.523 3.429 20 5 FGBDMO Cc1cc(Cl)c(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000830529516 729569196 /nfs/dbraw/zinc/56/91/96/729569196.db2.gz KLQIYYYXSGYHIV-CYBMUJFWSA-N 1 1 351.834 3.303 20 5 FGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000831236971 729627347 /nfs/dbraw/zinc/62/73/47/729627347.db2.gz KDGQPTDDFINQJW-UHFFFAOYSA-N 1 1 353.394 3.221 20 5 FGBDMO C[C@@H]([NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840793152 730174563 /nfs/dbraw/zinc/17/45/63/730174563.db2.gz NRXGQZZXVMZRPC-WKFLNTIRSA-N 1 1 363.439 3.162 20 5 FGBDMO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000847141545 731025763 /nfs/dbraw/zinc/02/57/63/731025763.db2.gz IXRDNQXUBKRLLX-ZFWWWQNUSA-N 1 1 352.822 3.387 20 5 FGBDMO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])CC(C)(C)NC(=O)OC(C)(C)C ZINC000852307642 731568180 /nfs/dbraw/zinc/56/81/80/731568180.db2.gz AYXGKUDNTLCGBI-UHFFFAOYSA-N 1 1 355.410 3.469 20 5 FGBDMO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])CC(C)(C)NC(=O)OC(C)(C)C ZINC000852307642 731568181 /nfs/dbraw/zinc/56/81/81/731568181.db2.gz AYXGKUDNTLCGBI-UHFFFAOYSA-N 1 1 355.410 3.469 20 5 FGBDMO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1Br ZINC000852427598 731582556 /nfs/dbraw/zinc/58/25/56/731582556.db2.gz NDEHVPULUAKETE-AAEUAGOBSA-N 1 1 357.248 3.340 20 5 FGBDMO C[C@@H](CO)[C@@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1Br ZINC000852427598 731582559 /nfs/dbraw/zinc/58/25/59/731582559.db2.gz NDEHVPULUAKETE-AAEUAGOBSA-N 1 1 357.248 3.340 20 5 FGBDMO Cc1cc(N2CCC([N@H+]3CCCOCC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000853688004 731742148 /nfs/dbraw/zinc/74/21/48/731742148.db2.gz BSSDQTJYAYBPQT-UHFFFAOYSA-N 1 1 353.850 3.248 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000855161201 731903225 /nfs/dbraw/zinc/90/32/25/731903225.db2.gz MWKHAFXNWNNUKW-NSHDSACASA-N 1 1 371.840 3.166 20 5 FGBDMO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)c1cc([N+](=O)[O-])ccc1Cl ZINC000855810619 731958332 /nfs/dbraw/zinc/95/83/32/731958332.db2.gz CUPWPCBMGKBPNA-LBPRGKRZSA-N 1 1 351.834 3.385 20 5 FGBDMO C[C@@H]1C[N@@H+](CCCNc2cccc(Br)c2[N+](=O)[O-])CCCO1 ZINC000856745574 732052334 /nfs/dbraw/zinc/05/23/34/732052334.db2.gz JBFWGBHCJOATTI-GFCCVEGCSA-N 1 1 372.263 3.270 20 5 FGBDMO CC1(C)CC[C@@H](CO)[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000856805893 732063050 /nfs/dbraw/zinc/06/30/50/732063050.db2.gz YKTBQVNJSJBTNX-LBPRGKRZSA-N 1 1 357.248 3.340 20 5 FGBDMO CC1(C)CC[C@@H](CO)[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000856805893 732063057 /nfs/dbraw/zinc/06/30/57/732063057.db2.gz YKTBQVNJSJBTNX-LBPRGKRZSA-N 1 1 357.248 3.340 20 5 FGBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000859783231 732392147 /nfs/dbraw/zinc/39/21/47/732392147.db2.gz OMOJYVJIGXJCIX-CYBMUJFWSA-N 1 1 351.834 3.052 20 5 FGBDMO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]2CCC[C@@H]21 ZINC000859953820 732422509 /nfs/dbraw/zinc/42/25/09/732422509.db2.gz HORAVJIQWXAKAY-UMVBOHGHSA-N 1 1 352.818 3.412 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]2CCC[C@@H]21 ZINC000859953820 732422510 /nfs/dbraw/zinc/42/25/10/732422510.db2.gz HORAVJIQWXAKAY-UMVBOHGHSA-N 1 1 352.818 3.412 20 5 FGBDMO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000863323780 732945609 /nfs/dbraw/zinc/94/56/09/732945609.db2.gz TYFYCQMSSVSKNE-YPMHNXCESA-N 1 1 365.231 3.389 20 5 FGBDMO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000863323780 732945613 /nfs/dbraw/zinc/94/56/13/732945613.db2.gz TYFYCQMSSVSKNE-YPMHNXCESA-N 1 1 365.231 3.389 20 5 FGBDMO C[C@H]([NH2+]CCn1cc(Br)cn1)c1c(F)cccc1[N+](=O)[O-] ZINC000872070680 735584253 /nfs/dbraw/zinc/58/42/53/735584253.db2.gz GTOTVPMGOLLXJG-VIFPVBQESA-N 1 1 357.183 3.044 20 5 FGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCN(C(C)(C)C)C1=O ZINC000872081445 735586431 /nfs/dbraw/zinc/58/64/31/735586431.db2.gz HBUHLYQJGVZHHM-SMDDNHRTSA-N 1 1 351.472 3.367 20 5 FGBDMO CCS(=O)(=O)c1ccc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)s1 ZINC000873118270 735721752 /nfs/dbraw/zinc/72/17/52/735721752.db2.gz FETFYPZFVSPUHE-UHFFFAOYSA-N 1 1 368.480 3.357 20 5 FGBDMO CC(C)(O)[C@H]1CCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000877796832 736723265 /nfs/dbraw/zinc/72/32/65/736723265.db2.gz VHANRVTTZRLKDX-LBPRGKRZSA-N 1 1 357.248 3.340 20 5 FGBDMO CC(C)(O)[C@H]1CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000877796832 736723276 /nfs/dbraw/zinc/72/32/76/736723276.db2.gz VHANRVTTZRLKDX-LBPRGKRZSA-N 1 1 357.248 3.340 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@H](c3nc(C)cs3)C2)c([N+](=O)[O-])cc1OC ZINC000877814188 736727049 /nfs/dbraw/zinc/72/70/49/736727049.db2.gz VPRDQBSAYZRZKW-GFCCVEGCSA-N 1 1 363.439 3.366 20 5 FGBDMO CC[N@H+](CCc1nccs1)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878298145 736802444 /nfs/dbraw/zinc/80/24/44/736802444.db2.gz BGNZALMPKJQYSV-UHFFFAOYSA-N 1 1 359.411 3.166 20 5 FGBDMO CC[N@@H+](CCc1nccs1)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878298145 736802449 /nfs/dbraw/zinc/80/24/49/736802449.db2.gz BGNZALMPKJQYSV-UHFFFAOYSA-N 1 1 359.411 3.166 20 5 FGBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879561609 737007859 /nfs/dbraw/zinc/00/78/59/737007859.db2.gz RCYMAEJCMRTVEQ-IJLUTSLNSA-N 1 1 369.874 3.260 20 5 FGBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879561609 737007864 /nfs/dbraw/zinc/00/78/64/737007864.db2.gz RCYMAEJCMRTVEQ-IJLUTSLNSA-N 1 1 369.874 3.260 20 5 FGBDMO COCC1([N@H+](C)Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CCC1 ZINC000880184785 737133704 /nfs/dbraw/zinc/13/37/04/737133704.db2.gz SKSVBPKJTIKIPT-UHFFFAOYSA-N 1 1 366.805 3.299 20 5 FGBDMO COCC1([N@@H+](C)Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CCC1 ZINC000880184785 737133710 /nfs/dbraw/zinc/13/37/10/737133710.db2.gz SKSVBPKJTIKIPT-UHFFFAOYSA-N 1 1 366.805 3.299 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](c2nccs2)C1 ZINC000880318648 737153772 /nfs/dbraw/zinc/15/37/72/737153772.db2.gz JQTQIVCUMRDLJH-ZDUSSCGKSA-N 1 1 360.439 3.178 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000883295572 737548467 /nfs/dbraw/zinc/54/84/67/737548467.db2.gz MHPRKODCLWGBES-LBPRGKRZSA-N 1 1 351.204 3.248 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)ccc1Br ZINC000886818284 739306009 /nfs/dbraw/zinc/30/60/09/739306009.db2.gz CNEYWQYPDQMUEL-SWLSCSKDSA-N 1 1 355.232 3.358 20 5 FGBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000888284688 739496275 /nfs/dbraw/zinc/49/62/75/739496275.db2.gz IMDJUARLGQAIJJ-LLVKDONJSA-N 1 1 352.822 3.329 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000893342450 742142343 /nfs/dbraw/zinc/14/23/43/742142343.db2.gz ITOYULFMTJXYKI-UHFFFAOYSA-N 1 1 367.877 3.373 20 5 FGBDMO CCO/C=C/[C@](O)(C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C(F)(F)F ZINC000895709262 742444047 /nfs/dbraw/zinc/44/40/47/742444047.db2.gz YMNRBHAOGIJHDH-GFUIURDCSA-N 1 1 368.739 3.181 20 5 FGBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895847251 742462795 /nfs/dbraw/zinc/46/27/95/742462795.db2.gz UABXOJVKHDDYSD-IAQYHMDHSA-N 1 1 355.232 3.358 20 5 FGBDMO C[N@H+]1CCC[C@H](CNC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1 ZINC000896268348 742523735 /nfs/dbraw/zinc/52/37/35/742523735.db2.gz XXUYXQOXQTZSRN-MRVPVSSYSA-N 1 1 364.204 3.112 20 5 FGBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)CCc3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000908424129 744288405 /nfs/dbraw/zinc/28/84/05/744288405.db2.gz VPGZBMHGEKBWRY-GOSISDBHSA-N 1 1 365.861 3.125 20 5 FGBDMO C[N@H+]1CCC[C@H](CCNC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000909913510 744400018 /nfs/dbraw/zinc/40/00/18/744400018.db2.gz GJQPUYBHGIFFCE-CYBMUJFWSA-N 1 1 353.850 3.029 20 5 FGBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000935774337 761939741 /nfs/dbraw/zinc/93/97/41/761939741.db2.gz GMZMCCYKXFPZRQ-CYBMUJFWSA-N 1 1 353.850 3.124 20 5 FGBDMO C[C@H](CNc1ccc([N+](=O)[O-])c2nonc21)[N@H+]1CCc2sccc2C1 ZINC000914863519 757852741 /nfs/dbraw/zinc/85/27/41/757852741.db2.gz OMAPGMKTVFXLIS-SNVBAGLBSA-N 1 1 359.411 3.051 20 5 FGBDMO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CSC)CC2)c([N+](=O)[O-])c1 ZINC000932589661 761196170 /nfs/dbraw/zinc/19/61/70/761196170.db2.gz NHGKMXZPQMPCME-GFCCVEGCSA-N 1 1 367.471 3.005 20 5 FGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000934774137 761714360 /nfs/dbraw/zinc/71/43/60/761714360.db2.gz SGLDQYQMJGZQJB-PPHDSNJXSA-N 1 1 360.439 3.391 20 5 FGBDMO CC(C)(C)OC(=O)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000579828711 505628641 /nfs/dbraw/zinc/62/86/41/505628641.db2.gz LXDYMMCBMYHOEV-UHFFFAOYSA-N 1 1 364.442 3.308 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000579834925 505629723 /nfs/dbraw/zinc/62/97/23/505629723.db2.gz DOHRBAQXIQRKHK-INIZCTEOSA-N 1 1 358.394 3.265 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@H](Oc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000579834925 505629730 /nfs/dbraw/zinc/62/97/30/505629730.db2.gz DOHRBAQXIQRKHK-INIZCTEOSA-N 1 1 358.394 3.265 20 5 FGBDMO C[C@@H](NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000571102484 505654220 /nfs/dbraw/zinc/65/42/20/505654220.db2.gz NKXYZLNNDDYMHH-WBVHZDCISA-N 1 1 353.422 3.294 20 5 FGBDMO CCOC(=O)CC(C)(C)CC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000580010514 505661291 /nfs/dbraw/zinc/66/12/91/505661291.db2.gz GLKAOCODDCSGPB-UHFFFAOYSA-N 1 1 350.415 3.159 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1ccc(Cl)nc1 ZINC000080909820 493789714 /nfs/dbraw/zinc/78/97/14/493789714.db2.gz IWOBHXKBXKEPTD-UHFFFAOYSA-N 1 1 362.817 3.412 20 5 FGBDMO O=[N+]([O-])c1cc(F)ccc1NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000029618963 493847584 /nfs/dbraw/zinc/84/75/84/493847584.db2.gz MIHFSAJDJADIJE-UHFFFAOYSA-N 1 1 362.380 3.107 20 5 FGBDMO C[N@@H+](CCCOc1ccccc1)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000029855050 493862363 /nfs/dbraw/zinc/86/23/63/493862363.db2.gz KDMWATABHGOTIM-UHFFFAOYSA-N 1 1 357.410 3.324 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCCOc1ccccc1 ZINC000029853033 493862750 /nfs/dbraw/zinc/86/27/50/493862750.db2.gz ZYADQVGBZCSWJN-HNNXBMFYSA-N 1 1 357.410 3.323 20 5 FGBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(C)s2)c([N+](=O)[O-])c1 ZINC000076342520 493870402 /nfs/dbraw/zinc/87/04/02/493870402.db2.gz YDAJALXMHWWEQS-GFCCVEGCSA-N 1 1 363.439 3.432 20 5 FGBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C)s2)c([N+](=O)[O-])c1 ZINC000076342520 493870406 /nfs/dbraw/zinc/87/04/06/493870406.db2.gz YDAJALXMHWWEQS-GFCCVEGCSA-N 1 1 363.439 3.432 20 5 FGBDMO CC(C)[NH+]1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000029997668 493872794 /nfs/dbraw/zinc/87/27/94/493872794.db2.gz RRUYZEAHKZAXJG-UHFFFAOYSA-N 1 1 362.308 3.052 20 5 FGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCCN1C(=O)c2ccccc2C1=O ZINC000050508168 493919147 /nfs/dbraw/zinc/91/91/47/493919147.db2.gz IPELQEXLXIQRND-CQSZACIVSA-N 1 1 367.405 3.274 20 5 FGBDMO COC(=O)[C@@H](C)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000060333779 493923609 /nfs/dbraw/zinc/92/36/09/493923609.db2.gz NIWFLWIJYGPZDA-INIZCTEOSA-N 1 1 356.422 3.449 20 5 FGBDMO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000050631686 493925258 /nfs/dbraw/zinc/92/52/58/493925258.db2.gz VSZWPWGLCLJTMY-HNNXBMFYSA-N 1 1 372.450 3.029 20 5 FGBDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000051050871 493943748 /nfs/dbraw/zinc/94/37/48/493943748.db2.gz BGJAORWRTRSCCS-GOEBONIOSA-N 1 1 363.458 3.120 20 5 FGBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000051469791 493972382 /nfs/dbraw/zinc/97/23/82/493972382.db2.gz JZLQGHBJGCDCIH-CYBMUJFWSA-N 1 1 374.466 3.178 20 5 FGBDMO CCCCC[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C(C)C ZINC000076912498 493987434 /nfs/dbraw/zinc/98/74/34/493987434.db2.gz KPGXUJCASFLZSR-UHFFFAOYSA-N 1 1 351.403 3.163 20 5 FGBDMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000061624010 493987542 /nfs/dbraw/zinc/98/75/42/493987542.db2.gz MIABXFVTQOCAEY-UHFFFAOYSA-N 1 1 354.341 3.158 20 5 FGBDMO CCCCCNC(=O)C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000083168591 494001166 /nfs/dbraw/zinc/00/11/66/494001166.db2.gz IGTGECTWWPPCAJ-UHFFFAOYSA-N 1 1 374.441 3.254 20 5 FGBDMO C[C@@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[N@H+]1CCCC[C@@H]1C ZINC000032731772 494008862 /nfs/dbraw/zinc/00/88/62/494008862.db2.gz IWMXBRFQSRHUOA-HOTGVXAUSA-N 1 1 374.485 3.188 20 5 FGBDMO CCOc1ccc(C[N@H+](C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000007687085 494035143 /nfs/dbraw/zinc/03/51/43/494035143.db2.gz JLNRWDDLOKJAPZ-UHFFFAOYSA-N 1 1 373.409 3.073 20 5 FGBDMO CCOc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000007687085 494035146 /nfs/dbraw/zinc/03/51/46/494035146.db2.gz JLNRWDDLOKJAPZ-UHFFFAOYSA-N 1 1 373.409 3.073 20 5 FGBDMO O=C(C[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000053076371 494090187 /nfs/dbraw/zinc/09/01/87/494090187.db2.gz NFAJICFFXRTGGR-MRXNPFEDSA-N 1 1 357.385 3.380 20 5 FGBDMO O=C(C[N@H+]1CCC[C@@H]1Cc1cccc(F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000053076371 494090188 /nfs/dbraw/zinc/09/01/88/494090188.db2.gz NFAJICFFXRTGGR-MRXNPFEDSA-N 1 1 357.385 3.380 20 5 FGBDMO Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000010707801 494159618 /nfs/dbraw/zinc/15/96/18/494159618.db2.gz SEVXKQVOQSMPNK-UHFFFAOYSA-N 1 1 353.422 3.251 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000072719019 494239855 /nfs/dbraw/zinc/23/98/55/494239855.db2.gz VVXAFRMWPYEQAZ-KRWDZBQOSA-N 1 1 374.485 3.040 20 5 FGBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2c2ccccc2Br)c1 ZINC000088559305 494249954 /nfs/dbraw/zinc/24/99/54/494249954.db2.gz BNRZPJQUBHHSTH-OAHLLOKOSA-N 1 1 365.231 3.391 20 5 FGBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]2c2ccccc2Br)c1 ZINC000088559305 494249957 /nfs/dbraw/zinc/24/99/57/494249957.db2.gz BNRZPJQUBHHSTH-OAHLLOKOSA-N 1 1 365.231 3.391 20 5 FGBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000054720640 494264786 /nfs/dbraw/zinc/26/47/86/494264786.db2.gz HDIPQWMVAAWGFL-QAPCUYQASA-N 1 1 368.437 3.230 20 5 FGBDMO Cc1nc(C(C)(C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)sc1C ZINC000072865470 494270708 /nfs/dbraw/zinc/27/07/08/494270708.db2.gz QMHARWJWPUIAJF-UHFFFAOYSA-N 1 1 362.455 3.440 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOC[C@@H]1c1ccccc1 ZINC000072895275 494277034 /nfs/dbraw/zinc/27/70/34/494277034.db2.gz BGKGMPSSMSMPAP-LJQANCHMSA-N 1 1 369.421 3.305 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCOC[C@@H]1c1ccccc1 ZINC000072895275 494277038 /nfs/dbraw/zinc/27/70/38/494277038.db2.gz BGKGMPSSMSMPAP-LJQANCHMSA-N 1 1 369.421 3.305 20 5 FGBDMO CO[C@]1(C)C[C@H]([N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1(C)C ZINC000072897965 494277971 /nfs/dbraw/zinc/27/79/71/494277971.db2.gz FECHPWWGQPXLKY-KBXCAEBGSA-N 1 1 360.414 3.280 20 5 FGBDMO CO[C@]1(C)C[C@H]([N@@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1(C)C ZINC000072897965 494277975 /nfs/dbraw/zinc/27/79/75/494277975.db2.gz FECHPWWGQPXLKY-KBXCAEBGSA-N 1 1 360.414 3.280 20 5 FGBDMO CCOC[C@H]1CCC[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000072976611 494297232 /nfs/dbraw/zinc/29/72/32/494297232.db2.gz WICULKYBUKGXAX-KBPBESRZSA-N 1 1 360.414 3.454 20 5 FGBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)COCc1cccs1 ZINC000066483807 494343454 /nfs/dbraw/zinc/34/34/54/494343454.db2.gz HJYCISUKGZCABO-QGZVFWFLSA-N 1 1 364.467 3.444 20 5 FGBDMO C[NH+](C)[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000044836516 494383401 /nfs/dbraw/zinc/38/34/01/494383401.db2.gz YKLNGGYBNDUYAY-ZDUSSCGKSA-N 1 1 353.831 3.342 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C[C@H](C)c1ccccc1 ZINC000066854666 494427820 /nfs/dbraw/zinc/42/78/20/494427820.db2.gz HKOGOLCOBWZAAH-AWEZNQCLSA-N 1 1 357.410 3.277 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000045624299 494445570 /nfs/dbraw/zinc/44/55/70/494445570.db2.gz KTRDIWNJTLWWFE-IYBDPMFKSA-N 1 1 362.474 3.152 20 5 FGBDMO COc1ccc(C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C2CC2)cc1 ZINC000090519095 494476095 /nfs/dbraw/zinc/47/60/95/494476095.db2.gz ZMCDVQQYRMTLOV-OAHLLOKOSA-N 1 1 371.437 3.066 20 5 FGBDMO O=c1cc(C[N@@H+]2CCCC3(C2)OCCO3)c2c(ccc3ccccc32)o1 ZINC000090562741 494482477 /nfs/dbraw/zinc/48/24/77/494482477.db2.gz UQSOQCRRXCTBKI-UHFFFAOYSA-N 1 1 351.402 3.285 20 5 FGBDMO O=c1cc(C[N@H+]2CCCC3(C2)OCCO3)c2c(ccc3ccccc32)o1 ZINC000090562741 494482479 /nfs/dbraw/zinc/48/24/79/494482479.db2.gz UQSOQCRRXCTBKI-UHFFFAOYSA-N 1 1 351.402 3.285 20 5 FGBDMO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090590052 494485301 /nfs/dbraw/zinc/48/53/01/494485301.db2.gz BNPFJXBCIJYRRE-CYBMUJFWSA-N 1 1 364.471 3.338 20 5 FGBDMO C[C@H]1C[C@H](NC(=O)c2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000079686370 494508017 /nfs/dbraw/zinc/50/80/17/494508017.db2.gz PHKZLDRRGZRNCA-DOTOQJQBSA-N 1 1 353.422 3.378 20 5 FGBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000074328514 494520499 /nfs/dbraw/zinc/52/04/99/494520499.db2.gz AGLRHWKEPGZMGG-ZDUSSCGKSA-N 1 1 351.834 3.052 20 5 FGBDMO C[N@@H+](CCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1[N+](=O)[O-] ZINC000046599055 494539994 /nfs/dbraw/zinc/53/99/94/494539994.db2.gz LRZQIWCBSCTQSC-UHFFFAOYSA-N 1 1 367.405 3.103 20 5 FGBDMO CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(OC)c(OC)c1 ZINC000022971547 494544336 /nfs/dbraw/zinc/54/43/36/494544336.db2.gz GCXSCCMKNNLQIB-UHFFFAOYSA-N 1 1 373.409 3.073 20 5 FGBDMO CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(OC)c(OC)c1 ZINC000022971547 494544341 /nfs/dbraw/zinc/54/43/41/494544341.db2.gz GCXSCCMKNNLQIB-UHFFFAOYSA-N 1 1 373.409 3.073 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000079927342 494551051 /nfs/dbraw/zinc/55/10/51/494551051.db2.gz LAYBAUCRUGBHKE-OKILXGFUSA-N 1 1 373.457 3.001 20 5 FGBDMO COc1cc(C[N@@H+](C)C[C@@H]2CCCOC2)c([N+](=O)[O-])cc1OC(F)F ZINC000107691375 494586617 /nfs/dbraw/zinc/58/66/17/494586617.db2.gz ADFKVTINXZXSAC-NSHDSACASA-N 1 1 360.357 3.063 20 5 FGBDMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC000047260994 494665294 /nfs/dbraw/zinc/66/52/94/494665294.db2.gz BAKVDDABRWXGGV-INIZCTEOSA-N 1 1 354.410 3.149 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2nc(CN3CC[N@H+]4CCCC[C@@H]4C3)cs2)c1 ZINC000092615977 494687962 /nfs/dbraw/zinc/68/79/62/494687962.db2.gz GHAASTKVPHJACV-QGZVFWFLSA-N 1 1 358.467 3.388 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CCC(n3cccn3)CC2)c1 ZINC000092618317 494689927 /nfs/dbraw/zinc/68/99/27/494689927.db2.gz PVONHFUSUFHESS-UHFFFAOYSA-N 1 1 352.341 3.230 20 5 FGBDMO NC(=O)c1ccc(C[N@H+]2CCCC[C@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000116498280 494801324 /nfs/dbraw/zinc/80/13/24/494801324.db2.gz QIMRSDFUPCKCIK-SFHVURJKSA-N 1 1 353.422 3.291 20 5 FGBDMO COc1ccccc1C[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000026223457 494810473 /nfs/dbraw/zinc/81/04/73/494810473.db2.gz KCXRCQDPAHNVFB-UHFFFAOYSA-N 1 1 357.410 3.372 20 5 FGBDMO COc1ccccc1C[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000026223494 494810506 /nfs/dbraw/zinc/81/05/06/494810506.db2.gz MLCSKJRAOAJHKN-UHFFFAOYSA-N 1 1 373.409 3.073 20 5 FGBDMO COc1ccc(C[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000026221427 494811524 /nfs/dbraw/zinc/81/15/24/494811524.db2.gz CUDFCONPQYXDFX-UHFFFAOYSA-N 1 1 357.410 3.372 20 5 FGBDMO CC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](C)Cc1ccc(OC)cc1 ZINC000109012933 494820926 /nfs/dbraw/zinc/82/09/26/494820926.db2.gz BLSHRMMQLZVGFH-AWEZNQCLSA-N 1 1 371.437 3.155 20 5 FGBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCCc2ccccc21 ZINC000026816577 494839331 /nfs/dbraw/zinc/83/93/31/494839331.db2.gz KWQYVQBQAJBZNX-IBGZPJMESA-N 1 1 365.433 3.493 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](Cc1ccccc1)[C@H](C)CCO ZINC000093303675 494863553 /nfs/dbraw/zinc/86/35/53/494863553.db2.gz WGLKIPVBUAFURY-MRXNPFEDSA-N 1 1 371.437 3.115 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](Cc1ccccc1)[C@H](C)CCO ZINC000093303675 494863556 /nfs/dbraw/zinc/86/35/56/494863556.db2.gz WGLKIPVBUAFURY-MRXNPFEDSA-N 1 1 371.437 3.115 20 5 FGBDMO Cc1[nH+]ccn1CCCCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000132577615 494894648 /nfs/dbraw/zinc/89/46/48/494894648.db2.gz NYLYCXDYYWTDDP-UHFFFAOYSA-N 1 1 370.331 3.329 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cnc(C4CCC4)s3)C2)nc1 ZINC000093534805 494899049 /nfs/dbraw/zinc/89/90/49/494899049.db2.gz MHHBAZSEURDFBE-CYBMUJFWSA-N 1 1 359.455 3.400 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cnc(C4CCC4)s3)C2)nc1 ZINC000093534805 494899052 /nfs/dbraw/zinc/89/90/52/494899052.db2.gz MHHBAZSEURDFBE-CYBMUJFWSA-N 1 1 359.455 3.400 20 5 FGBDMO C[C@@H]1C[C@@H](N(C)Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000093644069 494907464 /nfs/dbraw/zinc/90/74/64/494907464.db2.gz AIEMDAOJLBYAED-YPMHNXCESA-N 1 1 356.264 3.272 20 5 FGBDMO Cc1ccccc1C[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117333695 494912266 /nfs/dbraw/zinc/91/22/66/494912266.db2.gz IABLDHKFBASSII-UHFFFAOYSA-N 1 1 355.394 3.333 20 5 FGBDMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000110172869 494954440 /nfs/dbraw/zinc/95/44/40/494954440.db2.gz VABYAAAJGXLNPG-AWEZNQCLSA-N 1 1 363.801 3.408 20 5 FGBDMO CCc1nn(C)c(NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000094166541 494956425 /nfs/dbraw/zinc/95/64/25/494956425.db2.gz MIOFUXCENGQQMS-DOMZBBRYSA-N 1 1 363.487 3.447 20 5 FGBDMO C[C@H](CCNC(=O)c1ccc(F)cc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000134127941 495110337 /nfs/dbraw/zinc/11/03/37/495110337.db2.gz ZKDAKIUJPGRCNX-CQSZACIVSA-N 1 1 359.401 3.374 20 5 FGBDMO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2cc(C)ccc2OC)c([N+](=O)[O-])c1 ZINC000102691899 495153931 /nfs/dbraw/zinc/15/39/31/495153931.db2.gz KKRFXYXYHMSRGZ-ZDUSSCGKSA-N 1 1 373.409 3.210 20 5 FGBDMO C[C@H](c1ccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000128822453 495155193 /nfs/dbraw/zinc/15/51/93/495155193.db2.gz MGSYLEWVOUIPAR-CYBMUJFWSA-N 1 1 373.384 3.379 20 5 FGBDMO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000119424296 495164294 /nfs/dbraw/zinc/16/42/94/495164294.db2.gz VUNINVIHOGNKDN-BEFAXECRSA-N 1 1 369.469 3.430 20 5 FGBDMO CN(C(=O)C[N@H+]1CC[C@H](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000124138835 495240750 /nfs/dbraw/zinc/24/07/50/495240750.db2.gz JBJDNKGDMDOLLI-QGZVFWFLSA-N 1 1 353.422 3.122 20 5 FGBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000103603887 495248725 /nfs/dbraw/zinc/24/87/25/495248725.db2.gz DJNDXACPQNXJPB-MRXNPFEDSA-N 1 1 362.474 3.247 20 5 FGBDMO O=C(C[N@@H+]1CCC[C@H]1COc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000112984478 495262379 /nfs/dbraw/zinc/26/23/79/495262379.db2.gz BHGDWPYAGMFHJB-HNNXBMFYSA-N 1 1 355.394 3.077 20 5 FGBDMO O=C(C[N@H+]1CCC[C@H]1COc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000112984478 495262382 /nfs/dbraw/zinc/26/23/82/495262382.db2.gz BHGDWPYAGMFHJB-HNNXBMFYSA-N 1 1 355.394 3.077 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000124349972 495273962 /nfs/dbraw/zinc/27/39/62/495273962.db2.gz WWWVZRAGEBOKAD-AWEZNQCLSA-N 1 1 358.442 3.174 20 5 FGBDMO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1(C)C ZINC000120488880 495390001 /nfs/dbraw/zinc/39/00/01/495390001.db2.gz GKPKLODESFYXGL-HUUCEWRRSA-N 1 1 360.414 3.280 20 5 FGBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1(C)C ZINC000120488880 495390002 /nfs/dbraw/zinc/39/00/02/495390002.db2.gz GKPKLODESFYXGL-HUUCEWRRSA-N 1 1 360.414 3.280 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000115552239 495515667 /nfs/dbraw/zinc/51/56/67/495515667.db2.gz UDSLLWFHZVJBID-GDBMZVCRSA-N 1 1 369.421 3.420 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000115552239 495515670 /nfs/dbraw/zinc/51/56/70/495515670.db2.gz UDSLLWFHZVJBID-GDBMZVCRSA-N 1 1 369.421 3.420 20 5 FGBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)CC(C)(C)CN1CCOCC1 ZINC000182359610 495532480 /nfs/dbraw/zinc/53/24/80/495532480.db2.gz NSSXLCLKWRAHQT-UHFFFAOYSA-N 1 1 355.866 3.038 20 5 FGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)CC(C)(C)CN1CCOCC1 ZINC000182359610 495532483 /nfs/dbraw/zinc/53/24/83/495532483.db2.gz NSSXLCLKWRAHQT-UHFFFAOYSA-N 1 1 355.866 3.038 20 5 FGBDMO COC(=O)COc1c(C)cc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1C ZINC000179316845 495540416 /nfs/dbraw/zinc/54/04/16/495540416.db2.gz DLKKBVPKWVVZRD-UHFFFAOYSA-N 1 1 372.421 3.395 20 5 FGBDMO COC(=O)COc1c(C)cc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1C ZINC000179316845 495540420 /nfs/dbraw/zinc/54/04/20/495540420.db2.gz DLKKBVPKWVVZRD-UHFFFAOYSA-N 1 1 372.421 3.395 20 5 FGBDMO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000179336027 495547526 /nfs/dbraw/zinc/54/75/26/495547526.db2.gz HPDKOSIRTBAAOP-INIZCTEOSA-N 1 1 359.451 3.424 20 5 FGBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000154338339 495585883 /nfs/dbraw/zinc/58/58/83/495585883.db2.gz QZUKAFFCHNZZHY-CQSZACIVSA-N 1 1 353.850 3.489 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCCOCc3ccccc3)C2)nc1 ZINC000182524693 495598342 /nfs/dbraw/zinc/59/83/42/495598342.db2.gz GKDHTOGFXZXXJB-QGZVFWFLSA-N 1 1 356.426 3.083 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000179466324 495602752 /nfs/dbraw/zinc/60/27/52/495602752.db2.gz GIEAHFUPFNOJEX-YJBOKZPZSA-N 1 1 370.409 3.170 20 5 FGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c1 ZINC000154421314 495611583 /nfs/dbraw/zinc/61/15/83/495611583.db2.gz LGDOVCLDWZBQOV-PVAVHDDUSA-N 1 1 362.451 3.278 20 5 FGBDMO C[N@@H+](CCOCc1ccccc1)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000154518549 495641359 /nfs/dbraw/zinc/64/13/59/495641359.db2.gz GFWJWEHNIVUIGK-UHFFFAOYSA-N 1 1 357.410 3.072 20 5 FGBDMO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185753418 495710740 /nfs/dbraw/zinc/71/07/40/495710740.db2.gz OHSXWSSOSJCBMY-HOTGVXAUSA-N 1 1 374.485 3.166 20 5 FGBDMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cc(F)c([N+](=O)[O-])cc1F ZINC000154775201 495724261 /nfs/dbraw/zinc/72/42/61/495724261.db2.gz DQLKMVAWOHWFMJ-HNNXBMFYSA-N 1 1 365.336 3.033 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000154877039 495758439 /nfs/dbraw/zinc/75/84/39/495758439.db2.gz RQYNLCYQTNRAAI-KRWDZBQOSA-N 1 1 368.437 3.418 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000154877039 495758443 /nfs/dbraw/zinc/75/84/43/495758443.db2.gz RQYNLCYQTNRAAI-KRWDZBQOSA-N 1 1 368.437 3.418 20 5 FGBDMO O=C(CC[N@H+]1CCC[C@H](Nc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000155011132 495802607 /nfs/dbraw/zinc/80/26/07/495802607.db2.gz OLANTHHTEQFRPG-KRWDZBQOSA-N 1 1 368.437 3.500 20 5 FGBDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000174104504 495822291 /nfs/dbraw/zinc/82/22/91/495822291.db2.gz VQVFJBUYFSUYTQ-QILLFSRXSA-N 1 1 360.458 3.313 20 5 FGBDMO COCC1CC[NH+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CC1 ZINC000180078948 495848363 /nfs/dbraw/zinc/84/83/63/495848363.db2.gz QLLMVQJKFKKVOF-UHFFFAOYSA-N 1 1 374.384 3.106 20 5 FGBDMO C[C@@H](C(=O)NCC[N@@H+](C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000183156914 495859429 /nfs/dbraw/zinc/85/94/29/495859429.db2.gz GBIASGXPAWVMPL-CQSZACIVSA-N 1 1 359.401 3.086 20 5 FGBDMO COC(=O)c1coc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000174247461 495881250 /nfs/dbraw/zinc/88/12/50/495881250.db2.gz MUNRZXACNQPHAR-UHFFFAOYSA-N 1 1 360.366 3.018 20 5 FGBDMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3C)C2)n1 ZINC000183277534 495911316 /nfs/dbraw/zinc/91/13/16/495911316.db2.gz URWKCTRJEYXVNI-QGZVFWFLSA-N 1 1 368.437 3.457 20 5 FGBDMO O=c1cc(C[N@H+]2CCC[C@H](n3cncn3)C2)c2c(ccc3ccccc32)o1 ZINC000171528932 495916237 /nfs/dbraw/zinc/91/62/37/495916237.db2.gz VMXXGVNDLFHSAS-KRWDZBQOSA-N 1 1 360.417 3.375 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000183309895 495925448 /nfs/dbraw/zinc/92/54/48/495925448.db2.gz RVLUTFMYIUTFHI-QGZVFWFLSA-N 1 1 372.400 3.438 20 5 FGBDMO CCN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186300562 495935140 /nfs/dbraw/zinc/93/51/40/495935140.db2.gz AOLJMHFNWFLCFV-LJQANCHMSA-N 1 1 353.422 3.331 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@H]4OCCC[C@@H]4C3)o2)c1 ZINC000155386407 495940957 /nfs/dbraw/zinc/94/09/57/495940957.db2.gz GBTYKSDYGDZYKP-NVXWUHKLSA-N 1 1 357.410 3.293 20 5 FGBDMO COc1ccc([C@@H](C)C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000180344443 495959757 /nfs/dbraw/zinc/95/97/57/495959757.db2.gz HUEZRGQLVHVSSX-HOCLYGCPSA-N 1 1 356.426 3.288 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@@H](c4ccncc4)C3)n2)cc1 ZINC000568962856 505819382 /nfs/dbraw/zinc/81/93/82/505819382.db2.gz MFLXEZSHHSBDOR-OAHLLOKOSA-N 1 1 351.366 3.029 20 5 FGBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000160885802 496061099 /nfs/dbraw/zinc/06/10/99/496061099.db2.gz WKUCQLAFZXCQRP-GDBMZVCRSA-N 1 1 368.437 3.029 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000155954972 496117261 /nfs/dbraw/zinc/11/72/61/496117261.db2.gz SIXBMGQEWXRBBX-IBGZPJMESA-N 1 1 356.422 3.377 20 5 FGBDMO CC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000171982896 496117588 /nfs/dbraw/zinc/11/75/88/496117588.db2.gz JQWAZZNDSGJYJG-UHFFFAOYSA-N 1 1 359.451 3.428 20 5 FGBDMO CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H]1CCC[N@H+](C)C1 ZINC000152336448 496120691 /nfs/dbraw/zinc/12/06/91/496120691.db2.gz ALENCDRBJRFRSM-HNNXBMFYSA-N 1 1 358.442 3.066 20 5 FGBDMO CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152336448 496120695 /nfs/dbraw/zinc/12/06/95/496120695.db2.gz ALENCDRBJRFRSM-HNNXBMFYSA-N 1 1 358.442 3.066 20 5 FGBDMO CN1CCC[C@H](C[N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000152336448 496120699 /nfs/dbraw/zinc/12/06/99/496120699.db2.gz ALENCDRBJRFRSM-HNNXBMFYSA-N 1 1 358.442 3.066 20 5 FGBDMO CN1CCC[C@H](C[N@@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000152336448 496120705 /nfs/dbraw/zinc/12/07/05/496120705.db2.gz ALENCDRBJRFRSM-HNNXBMFYSA-N 1 1 358.442 3.066 20 5 FGBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000156255896 496199884 /nfs/dbraw/zinc/19/98/84/496199884.db2.gz NLDCEDWDJSPUDR-CQSZACIVSA-N 1 1 356.426 3.089 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCNc1cccc(C)[nH+]1 ZINC000161814761 496242904 /nfs/dbraw/zinc/24/29/04/496242904.db2.gz PFNXSEKNBAEFSW-UHFFFAOYSA-N 1 1 360.439 3.252 20 5 FGBDMO C[N@@H+](CCCn1ccnc1)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000181074667 496260344 /nfs/dbraw/zinc/26/03/44/496260344.db2.gz DUXGPLUFNYPVFN-UHFFFAOYSA-N 1 1 355.398 3.011 20 5 FGBDMO C[C@H](C(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000580780566 505836702 /nfs/dbraw/zinc/83/67/02/505836702.db2.gz DWDWHKPYIMYXEG-HRAATJIYSA-N 1 1 367.449 3.479 20 5 FGBDMO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000175413853 496380500 /nfs/dbraw/zinc/38/05/00/496380500.db2.gz FAQQFVJWVWCSHL-SXBQZSJRSA-N 1 1 362.451 3.404 20 5 FGBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@H](O)COc1ccccc1Cl)C2 ZINC000153357555 496429659 /nfs/dbraw/zinc/42/96/59/496429659.db2.gz PJCQWZVMOZDLCJ-AWEZNQCLSA-N 1 1 362.813 3.046 20 5 FGBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@H](O)COc1ccccc1Cl)C2 ZINC000153357555 496429669 /nfs/dbraw/zinc/42/96/69/496429669.db2.gz PJCQWZVMOZDLCJ-AWEZNQCLSA-N 1 1 362.813 3.046 20 5 FGBDMO Cc1csc([C@H]([NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000181614695 496470271 /nfs/dbraw/zinc/47/02/71/496470271.db2.gz JIKVYPUUHWZHTO-IAQYHMDHSA-N 1 1 360.439 3.428 20 5 FGBDMO CC[C@]1(CO)CCC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000187641463 496518955 /nfs/dbraw/zinc/51/89/55/496518955.db2.gz UXDYJTKTTHKJMS-IBGZPJMESA-N 1 1 359.426 3.277 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000163516338 496526640 /nfs/dbraw/zinc/52/66/40/496526640.db2.gz PPXNZKSRMHTHGB-CQSZACIVSA-N 1 1 365.499 3.415 20 5 FGBDMO CCC[N@@H+](CC)CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000175745513 496526939 /nfs/dbraw/zinc/52/69/39/496526939.db2.gz QVPRQMDKRGPLOW-UHFFFAOYSA-N 1 1 360.361 3.050 20 5 FGBDMO CC[C@H](C)[C@@H](C)[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000181787094 496543838 /nfs/dbraw/zinc/54/38/38/496543838.db2.gz HXTJKQUGGACDRZ-UONOGXRCSA-N 1 1 354.472 3.268 20 5 FGBDMO Cc1ccc(N2CCC(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)[nH+]c1 ZINC000157838466 496567973 /nfs/dbraw/zinc/56/79/73/496567973.db2.gz FLHFNLJYVAHEPG-UHFFFAOYSA-N 1 1 354.410 3.005 20 5 FGBDMO Cc1nc(C)c([C@@H](C)[N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000181860322 496575330 /nfs/dbraw/zinc/57/53/30/496575330.db2.gz LWBRQYOOHRVMEH-OCCSQVGLSA-N 1 1 365.455 3.101 20 5 FGBDMO Cc1ccc(N2CCC(NC(=O)c3cc(C)cc([N+](=O)[O-])c3)CC2)[nH+]c1 ZINC000157925525 496587275 /nfs/dbraw/zinc/58/72/75/496587275.db2.gz RULZHKDITJJQBI-UHFFFAOYSA-N 1 1 354.410 3.005 20 5 FGBDMO C[C@H](NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000178876471 496602347 /nfs/dbraw/zinc/60/23/47/496602347.db2.gz VXGUOMYNKXNUSN-AWEZNQCLSA-N 1 1 371.441 3.054 20 5 FGBDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC000153879817 496611135 /nfs/dbraw/zinc/61/11/35/496611135.db2.gz DHISFMHQMQHLHX-UHFFFAOYSA-N 1 1 373.428 3.433 20 5 FGBDMO C[S@@](=O)C[C@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000182095940 496668282 /nfs/dbraw/zinc/66/82/82/496668282.db2.gz VLBKMWIEXHPZCG-NPMXOYFQSA-N 1 1 352.843 3.458 20 5 FGBDMO CCN(C)C(=O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000185180221 496694327 /nfs/dbraw/zinc/69/43/27/496694327.db2.gz SNSMRBCWEIDMCY-UHFFFAOYSA-N 1 1 351.790 3.076 20 5 FGBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000179262059 496722626 /nfs/dbraw/zinc/72/26/26/496722626.db2.gz LDFZMTGBLPITTH-MJGOQNOKSA-N 1 1 368.437 3.182 20 5 FGBDMO CCC[C@]1(COC)CCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000194928080 496763217 /nfs/dbraw/zinc/76/32/17/496763217.db2.gz PVSSLHFUWYFYAW-GOSISDBHSA-N 1 1 360.414 3.426 20 5 FGBDMO COc1cc(C(=O)N2CC[N@@H+](C)CC23CCCCC3)cc([N+](=O)[O-])c1C ZINC000188526192 496820105 /nfs/dbraw/zinc/82/01/05/496820105.db2.gz SYBKQKXXMMQPEB-UHFFFAOYSA-N 1 1 361.442 3.002 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@]1(CO)CC(C)C ZINC000191643949 496843870 /nfs/dbraw/zinc/84/38/70/496843870.db2.gz KCPFZOUHTBELEM-LJQANCHMSA-N 1 1 363.458 3.105 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]CCC[C@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000273610939 496853290 /nfs/dbraw/zinc/85/32/90/496853290.db2.gz AENAXZRKRRTBIF-QZTJIDSGSA-N 1 1 358.442 3.357 20 5 FGBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000277759043 496878263 /nfs/dbraw/zinc/87/82/63/496878263.db2.gz KBZPDWRUBQQHOL-UHFFFAOYSA-N 1 1 364.789 3.142 20 5 FGBDMO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000195694085 496960650 /nfs/dbraw/zinc/96/06/50/496960650.db2.gz LNMZTYOCUIWZCI-SFHVURJKSA-N 1 1 353.422 3.298 20 5 FGBDMO COc1ccc([C@H]2CCC[N@H+]2C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000248372648 496986479 /nfs/dbraw/zinc/98/64/79/496986479.db2.gz BHRUOWISLWDTQU-SJLPKXTDSA-N 1 1 372.421 3.180 20 5 FGBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000248563478 497041367 /nfs/dbraw/zinc/04/13/67/497041367.db2.gz KARWMLRYWOMBQD-ZIAGYGMSSA-N 1 1 351.422 3.218 20 5 FGBDMO C[C@@H](C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000248617017 497059034 /nfs/dbraw/zinc/05/90/34/497059034.db2.gz ZFKDMKGALWVMJL-HZSPNIEDSA-N 1 1 351.422 3.074 20 5 FGBDMO O=[N+]([O-])c1ccc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(F)c1 ZINC000572080673 505883534 /nfs/dbraw/zinc/88/35/34/505883534.db2.gz JDQSOTVBHRMYIK-KRWDZBQOSA-N 1 1 360.385 3.404 20 5 FGBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000278361767 497088363 /nfs/dbraw/zinc/08/83/63/497088363.db2.gz ODIQKXVWKNDZBF-UHFFFAOYSA-N 1 1 355.394 3.290 20 5 FGBDMO C[C@H](CCN1CC[NH+](C)CC1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000274486148 497108920 /nfs/dbraw/zinc/10/89/20/497108920.db2.gz OZWQCVGGHSCHJZ-GFCCVEGCSA-N 1 1 360.380 3.052 20 5 FGBDMO C[N@@H+]1CC=C(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000278539101 497148077 /nfs/dbraw/zinc/14/80/77/497148077.db2.gz UUFGQFKLALKRBI-UHFFFAOYSA-N 1 1 366.290 3.318 20 5 FGBDMO CSc1cccc(C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000249121164 497171109 /nfs/dbraw/zinc/17/11/09/497171109.db2.gz HCTBZGSMDHHKGK-CHWSQXEVSA-N 1 1 351.472 3.167 20 5 FGBDMO CSc1cccc(C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000249138612 497172747 /nfs/dbraw/zinc/17/27/47/497172747.db2.gz PCKDFSSVFYFZFQ-STQMWFEESA-N 1 1 351.472 3.167 20 5 FGBDMO CCOCCC[N@H+]1CC[C@@H](NCc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000249508971 497213497 /nfs/dbraw/zinc/21/34/97/497213497.db2.gz ZHBUADPLTLZGNM-WMLDXEAASA-N 1 1 369.893 3.475 20 5 FGBDMO CC[C@@]1(CO)CCC[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000249543694 497219804 /nfs/dbraw/zinc/21/98/04/497219804.db2.gz FRCVWCLYFZSFLR-FZKQIMNGSA-N 1 1 360.414 3.190 20 5 FGBDMO CC[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](C)Cc1ccsc1 ZINC000249589166 497226138 /nfs/dbraw/zinc/22/61/38/497226138.db2.gz UWQSLKOZUNGAEB-RHSMWYFYSA-N 1 1 364.467 3.349 20 5 FGBDMO C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000278830709 497235313 /nfs/dbraw/zinc/23/53/13/497235313.db2.gz DCLPFDCOXISRRV-LDYMZIIASA-N 1 1 361.345 3.454 20 5 FGBDMO COCc1cc([N+](=O)[O-])ccc1NCc1ccccc1C[NH+]1CCOCC1 ZINC000266027438 497236492 /nfs/dbraw/zinc/23/64/92/497236492.db2.gz RBGYBBBNTROFGS-UHFFFAOYSA-N 1 1 371.437 3.186 20 5 FGBDMO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000271464832 497355442 /nfs/dbraw/zinc/35/54/42/497355442.db2.gz KWTXTSOKEWYGTN-LLVKDONJSA-N 1 1 370.377 3.442 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cccc1[N+](=O)[O-] ZINC000245493023 497427675 /nfs/dbraw/zinc/42/76/75/497427675.db2.gz KRZOAFRAZIZNPD-BBWFWOEESA-N 1 1 374.485 3.177 20 5 FGBDMO CN(C(=O)CSCC[N@@H+](C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000193617295 497429182 /nfs/dbraw/zinc/42/91/82/497429182.db2.gz PSBJOXVYTWVZRU-UHFFFAOYSA-N 1 1 373.478 3.423 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000275792455 497432376 /nfs/dbraw/zinc/43/23/76/497432376.db2.gz JYHXCHYTAZHEFO-GXTWGEPZSA-N 1 1 353.850 3.359 20 5 FGBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000193642325 497434991 /nfs/dbraw/zinc/43/49/91/497434991.db2.gz PABRBLNWWSCGCS-HNNXBMFYSA-N 1 1 374.466 3.178 20 5 FGBDMO C[C@@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H](C2CC2)O1 ZINC000279424271 497436197 /nfs/dbraw/zinc/43/61/97/497436197.db2.gz XGCGWEZJMYKGLX-ACJLOTCBSA-N 1 1 357.410 3.292 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000245528150 497440753 /nfs/dbraw/zinc/44/07/53/497440753.db2.gz BHTVOPOJEGZVMT-IVMMDQJWSA-N 1 1 360.414 3.189 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000245526146 497441040 /nfs/dbraw/zinc/44/10/40/497441040.db2.gz OUZBJPOZVGGQHN-YZVOILCLSA-N 1 1 357.454 3.440 20 5 FGBDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000279716828 497518892 /nfs/dbraw/zinc/51/88/92/497518892.db2.gz INEPOZGGXRAORS-HOCLYGCPSA-N 1 1 359.426 3.418 20 5 FGBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000279794654 497544153 /nfs/dbraw/zinc/54/41/53/497544153.db2.gz VUQMFLPCOOETEV-OAHLLOKOSA-N 1 1 373.409 3.153 20 5 FGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)cc1F ZINC000276324162 497544977 /nfs/dbraw/zinc/54/49/77/497544977.db2.gz PLHPCEVTEMWPLQ-MRXNPFEDSA-N 1 1 352.406 3.284 20 5 FGBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000245911872 497569352 /nfs/dbraw/zinc/56/93/52/497569352.db2.gz RHMZRECUQIIRGZ-IRXDYDNUSA-N 1 1 374.828 3.127 20 5 FGBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000245911872 497569353 /nfs/dbraw/zinc/56/93/53/497569353.db2.gz RHMZRECUQIIRGZ-IRXDYDNUSA-N 1 1 374.828 3.127 20 5 FGBDMO Cc1ccc(N2CCC(C(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)[nH+]c1 ZINC000194105480 497574988 /nfs/dbraw/zinc/57/49/88/497574988.db2.gz GVHITLNLRBXLBQ-UHFFFAOYSA-N 1 1 354.410 3.462 20 5 FGBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000245962943 497585289 /nfs/dbraw/zinc/58/52/89/497585289.db2.gz MUVYIPRAHXKGHP-PKOBYXMFSA-N 1 1 374.485 3.043 20 5 FGBDMO CC(C)[N@H+]1CCC[C@@H](CN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272515333 497648935 /nfs/dbraw/zinc/64/89/35/497648935.db2.gz JVRREUNWIHNUAZ-LPHOPBHVSA-N 1 1 371.485 3.128 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)Nc2ccc3c(c2)C[N@H+](C)C3)cccc1[N+](=O)[O-] ZINC000194512765 497691562 /nfs/dbraw/zinc/69/15/62/497691562.db2.gz SNUQUUFANHILQF-ZDUSSCGKSA-N 1 1 354.410 3.288 20 5 FGBDMO C[C@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000246470770 497744912 /nfs/dbraw/zinc/74/49/12/497744912.db2.gz AOPLFGFTBMVDFA-HZPDHXFCSA-N 1 1 374.485 3.389 20 5 FGBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000246514500 497759420 /nfs/dbraw/zinc/75/94/20/497759420.db2.gz BLYIDARKSCDXMZ-GUYCJALGSA-N 1 1 374.466 3.051 20 5 FGBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000246675356 497798307 /nfs/dbraw/zinc/79/83/07/497798307.db2.gz ILXXQJXNPFMNRI-STQMWFEESA-N 1 1 353.850 3.027 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000246711507 497803011 /nfs/dbraw/zinc/80/30/11/497803011.db2.gz NTOCASWJIQVSSU-SMDDNHRTSA-N 1 1 372.368 3.206 20 5 FGBDMO C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246797748 497811818 /nfs/dbraw/zinc/81/18/18/497811818.db2.gz VFAFINVLTWRWDY-GXFFZTMASA-N 1 1 373.240 3.152 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000246852004 497816676 /nfs/dbraw/zinc/81/66/76/497816676.db2.gz KTVHVAAUZVLLKA-MUKKUYKPSA-N 1 1 372.425 3.333 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000299677983 497891840 /nfs/dbraw/zinc/89/18/40/497891840.db2.gz QXACSNSWWIYBRG-OKILXGFUSA-N 1 1 351.422 3.222 20 5 FGBDMO Cc1cc(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301123014 497962813 /nfs/dbraw/zinc/96/28/13/497962813.db2.gz RPXPEENRIDNUJH-SJORKVTESA-N 1 1 353.426 3.399 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CSC)C1 ZINC000292430590 498012679 /nfs/dbraw/zinc/01/26/79/498012679.db2.gz NOBIQANVQDXERU-QWHCGFSZSA-N 1 1 367.471 3.005 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CSC)C1 ZINC000292430590 498012682 /nfs/dbraw/zinc/01/26/82/498012682.db2.gz NOBIQANVQDXERU-QWHCGFSZSA-N 1 1 367.471 3.005 20 5 FGBDMO Cn1cc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000285239352 498030557 /nfs/dbraw/zinc/03/05/57/498030557.db2.gz SKMLBNHZWLWDPF-ZWKOTPCHSA-N 1 1 356.426 3.139 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1ncc([N+](=O)[O-])cc1Cl ZINC000301285536 498037977 /nfs/dbraw/zinc/03/79/77/498037977.db2.gz QMLDIBJZGPCWNY-BLLLJJGKSA-N 1 1 361.833 3.361 20 5 FGBDMO Cc1ccnc(NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000301304940 498048721 /nfs/dbraw/zinc/04/87/21/498048721.db2.gz TYFRTDMIUQEPSM-GOSISDBHSA-N 1 1 369.469 3.089 20 5 FGBDMO Cc1ccnc(NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000301304940 498048727 /nfs/dbraw/zinc/04/87/27/498048727.db2.gz TYFRTDMIUQEPSM-GOSISDBHSA-N 1 1 369.469 3.089 20 5 FGBDMO Cc1ccnc(NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000301304940 498048732 /nfs/dbraw/zinc/04/87/32/498048732.db2.gz TYFRTDMIUQEPSM-GOSISDBHSA-N 1 1 369.469 3.089 20 5 FGBDMO C[C@]12CCC[N@H+]1C[C@@H](c1noc(-c3c[nH]c4cc([N+](=O)[O-])ccc43)n1)OC2 ZINC000350400764 498095043 /nfs/dbraw/zinc/09/50/43/498095043.db2.gz RDUSHPZMCCDCCN-MAUKXSAKSA-N 1 1 369.381 3.052 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@H](Cc4ccncc4)C3)o2)cc1 ZINC000364701895 498100138 /nfs/dbraw/zinc/10/01/38/498100138.db2.gz DQTFVAZSXLEKNT-OAHLLOKOSA-N 1 1 365.393 3.104 20 5 FGBDMO COc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c(C)c3)CC2)cc(OC)c1 ZINC000301472608 498124542 /nfs/dbraw/zinc/12/45/42/498124542.db2.gz LCFPCKFCPOKDMA-UHFFFAOYSA-N 1 1 371.437 3.243 20 5 FGBDMO Cc1cc(F)c(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000296679390 498149595 /nfs/dbraw/zinc/14/95/95/498149595.db2.gz IKMCCSIEWAJHJN-YHWZYXNKSA-N 1 1 350.394 3.179 20 5 FGBDMO C[C@H]1C[C@@H](Nc2nc3sccn3c2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000301623925 498192342 /nfs/dbraw/zinc/19/23/42/498192342.db2.gz OWZSXWXIGCTGCQ-GXTWGEPZSA-N 1 1 357.439 3.379 20 5 FGBDMO CC(C)[N@H+]1CCC[C@H](CNc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000301707839 498233551 /nfs/dbraw/zinc/23/35/51/498233551.db2.gz WHYGCFJFKOXEHM-LLVKDONJSA-N 1 1 357.252 3.285 20 5 FGBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000301728871 498241542 /nfs/dbraw/zinc/24/15/42/498241542.db2.gz RKLLADXUGBLNAQ-DGCLKSJQSA-N 1 1 354.248 3.278 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)c(F)c1 ZINC000301742830 498248797 /nfs/dbraw/zinc/24/87/97/498248797.db2.gz YWSSXXXFKIPAMF-HNAYVOBHSA-N 1 1 359.401 3.029 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1C(F)(F)F ZINC000301837088 498287035 /nfs/dbraw/zinc/28/70/35/498287035.db2.gz VUIGLSVTVHHXEL-CQSZACIVSA-N 1 1 373.375 3.305 20 5 FGBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)CC[C@@H]21 ZINC000293384412 498365872 /nfs/dbraw/zinc/36/58/72/498365872.db2.gz NTJOTGBFXMOHDU-ABAIWWIYSA-N 1 1 371.359 3.170 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000361751183 498426915 /nfs/dbraw/zinc/42/69/15/498426915.db2.gz LKTJEDZUNSXIIO-UXLLHSPISA-N 1 1 358.442 3.160 20 5 FGBDMO C[N@H+]1CCC[C@@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000361828855 498436664 /nfs/dbraw/zinc/43/66/64/498436664.db2.gz IVNVQTHFEUWHNQ-GUYCJALGSA-N 1 1 374.466 3.250 20 5 FGBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000297603984 498508748 /nfs/dbraw/zinc/50/87/48/498508748.db2.gz HHSRBHMIRUJPCJ-GXFFZTMASA-N 1 1 359.348 3.026 20 5 FGBDMO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282430981 498509420 /nfs/dbraw/zinc/50/94/20/498509420.db2.gz KBCVYYJFPXGZSZ-CYBMUJFWSA-N 1 1 352.394 3.479 20 5 FGBDMO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282430981 498509426 /nfs/dbraw/zinc/50/94/26/498509426.db2.gz KBCVYYJFPXGZSZ-CYBMUJFWSA-N 1 1 352.394 3.479 20 5 FGBDMO Cc1[nH+]c(CNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c2n1CCCC2 ZINC000362635354 498529070 /nfs/dbraw/zinc/52/90/70/498529070.db2.gz MYKBCGPAMCMXLW-CYBMUJFWSA-N 1 1 371.441 3.305 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])s1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000365739052 498618902 /nfs/dbraw/zinc/61/89/02/498618902.db2.gz HUALFRCZYGEWNH-JKSUJKDBSA-N 1 1 371.462 3.250 20 5 FGBDMO Cc1cccnc1NC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000365790545 498642283 /nfs/dbraw/zinc/64/22/83/498642283.db2.gz JIKSJJGJUGVCJA-CQSZACIVSA-N 1 1 372.400 3.288 20 5 FGBDMO Cc1cccnc1NC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000365790545 498642290 /nfs/dbraw/zinc/64/22/90/498642290.db2.gz JIKSJJGJUGVCJA-CQSZACIVSA-N 1 1 372.400 3.288 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](n3cc4ccccc4n3)C2)c([N+](=O)[O-])c1 ZINC000365799228 498645559 /nfs/dbraw/zinc/64/55/59/498645559.db2.gz WSHUBAOXRNEPRL-INIZCTEOSA-N 1 1 367.365 3.300 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](n3cc4ccccc4n3)C2)c([N+](=O)[O-])c1 ZINC000365799228 498645570 /nfs/dbraw/zinc/64/55/70/498645570.db2.gz WSHUBAOXRNEPRL-INIZCTEOSA-N 1 1 367.365 3.300 20 5 FGBDMO C[C@@H]([NH2+]Cc1ccncc1OC[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000287211049 498673654 /nfs/dbraw/zinc/67/36/54/498673654.db2.gz MLPNGOKSIIVDBH-HUUCEWRRSA-N 1 1 357.410 3.256 20 5 FGBDMO Cc1cc(C)nc(N2CC[NH+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)n1 ZINC000332401357 498676959 /nfs/dbraw/zinc/67/69/59/498676959.db2.gz SXJGRFWJHPWVEK-MRXNPFEDSA-N 1 1 355.442 3.193 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000332538077 498717511 /nfs/dbraw/zinc/71/75/11/498717511.db2.gz WCIRANWQEMETEK-CJNGLKHVSA-N 1 1 369.259 3.484 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000332538077 498717517 /nfs/dbraw/zinc/71/75/17/498717517.db2.gz WCIRANWQEMETEK-CJNGLKHVSA-N 1 1 369.259 3.484 20 5 FGBDMO CC(C)c1nc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c2ccccn21 ZINC000576113613 506080577 /nfs/dbraw/zinc/08/05/77/506080577.db2.gz PLTDATOCFYWZIJ-UHFFFAOYSA-N 1 1 353.426 3.331 20 5 FGBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000332671580 498759407 /nfs/dbraw/zinc/75/94/07/498759407.db2.gz ZTFNOZIOWPEVLZ-HNNXBMFYSA-N 1 1 363.483 3.263 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccccc1N1CCO[C@H](C)C1 ZINC000298545272 498807650 /nfs/dbraw/zinc/80/76/50/498807650.db2.gz UBSXRIDEDOHBEB-OAHLLOKOSA-N 1 1 371.437 3.118 20 5 FGBDMO Cc1cc(Cl)c(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000294803964 498810896 /nfs/dbraw/zinc/81/08/96/498810896.db2.gz FHVBIMJGLRBAER-CYBMUJFWSA-N 1 1 353.850 3.407 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@H](OC)C(C)(C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000294980093 498869066 /nfs/dbraw/zinc/86/90/66/498869066.db2.gz JRCTZNZDRDOJJI-HNNXBMFYSA-N 1 1 374.384 3.452 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@H](OC)C(C)(C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000294980093 498869071 /nfs/dbraw/zinc/86/90/71/498869071.db2.gz JRCTZNZDRDOJJI-HNNXBMFYSA-N 1 1 374.384 3.452 20 5 FGBDMO CN(C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000287974690 498915565 /nfs/dbraw/zinc/91/55/65/498915565.db2.gz JGMQEXRVEOFBGI-NNQSOWQGSA-N 1 1 366.849 3.015 20 5 FGBDMO CC1CCN(C(=O)C2CC[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2)CC1 ZINC000283689401 498958810 /nfs/dbraw/zinc/95/88/10/498958810.db2.gz WYOOFELHKAZPTA-UHFFFAOYSA-N 1 1 363.433 3.204 20 5 FGBDMO Cc1ccccc1C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccn1 ZINC000576283156 506121193 /nfs/dbraw/zinc/12/11/93/506121193.db2.gz FLCHRXDFEQMRIE-UHFFFAOYSA-N 1 1 351.410 3.197 20 5 FGBDMO Cc1ccccc1C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccn1 ZINC000576283156 506121197 /nfs/dbraw/zinc/12/11/97/506121197.db2.gz FLCHRXDFEQMRIE-UHFFFAOYSA-N 1 1 351.410 3.197 20 5 FGBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1F ZINC000283806078 498987214 /nfs/dbraw/zinc/98/72/14/498987214.db2.gz BQQWESAZMDDJMH-KBPBESRZSA-N 1 1 363.433 3.425 20 5 FGBDMO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000283816990 498992307 /nfs/dbraw/zinc/99/23/07/498992307.db2.gz CHNBVYOACGIGRO-LBPRGKRZSA-N 1 1 366.414 3.378 20 5 FGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCSC[C@@H]2c2cccs2)c1 ZINC000366649746 499018609 /nfs/dbraw/zinc/01/86/09/499018609.db2.gz DAPUSSDAZBXSJJ-HUUCEWRRSA-N 1 1 350.465 3.480 20 5 FGBDMO CC[C@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1nnc2n1CCCCC2 ZINC000284031465 499033795 /nfs/dbraw/zinc/03/37/95/499033795.db2.gz JIXSIDOLMNJXRG-DOMZBBRYSA-N 1 1 358.446 3.297 20 5 FGBDMO C[N@@H+]1CC[C@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000366798255 499077618 /nfs/dbraw/zinc/07/76/18/499077618.db2.gz YZZUPGUYSJLUFU-DOTOQJQBSA-N 1 1 361.348 3.048 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000366798255 499077624 /nfs/dbraw/zinc/07/76/24/499077624.db2.gz YZZUPGUYSJLUFU-DOTOQJQBSA-N 1 1 361.348 3.048 20 5 FGBDMO Cc1[nH+]ccn1CCCCNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000295771741 499098872 /nfs/dbraw/zinc/09/88/72/499098872.db2.gz IPLUSMRSAZQTLH-UHFFFAOYSA-N 1 1 350.806 3.272 20 5 FGBDMO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000372712208 499165349 /nfs/dbraw/zinc/16/53/49/499165349.db2.gz FNSORKYHVHOFBG-SFHVURJKSA-N 1 1 355.373 3.047 20 5 FGBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000372712208 499165351 /nfs/dbraw/zinc/16/53/51/499165351.db2.gz FNSORKYHVHOFBG-SFHVURJKSA-N 1 1 355.373 3.047 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCC(c4cn[nH]c4)CC3)co2)cc1 ZINC000372827286 499181459 /nfs/dbraw/zinc/18/14/59/499181459.db2.gz ZZYOJLQYJCWSOD-UHFFFAOYSA-N 1 1 353.382 3.353 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)cc1[N+](=O)[O-] ZINC000370120457 499183255 /nfs/dbraw/zinc/18/32/55/499183255.db2.gz NXFGUSFOPSVXKW-DZJNRPSUSA-N 1 1 372.469 3.090 20 5 FGBDMO CC(C)c1ccc(C[N@H+]2CCC[C@@H]2[C@H]2COCC[C@@]2(C)O)cc1[N+](=O)[O-] ZINC000367471273 499202966 /nfs/dbraw/zinc/20/29/66/499202966.db2.gz OHJOCQLBAQRFGG-QWFCFKBJSA-N 1 1 362.470 3.470 20 5 FGBDMO COc1ccccc1-c1noc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000367539892 499210364 /nfs/dbraw/zinc/21/03/64/499210364.db2.gz FNMBQIUOORSXSU-UHFFFAOYSA-N 1 1 368.393 3.328 20 5 FGBDMO COc1ccccc1-c1noc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000367539892 499210366 /nfs/dbraw/zinc/21/03/66/499210366.db2.gz FNMBQIUOORSXSU-UHFFFAOYSA-N 1 1 368.393 3.328 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCc2nn(C(C)C)c(=O)cc2C1 ZINC000371498915 499334874 /nfs/dbraw/zinc/33/48/74/499334874.db2.gz ZZNOSJKIKIKTIZ-CQSZACIVSA-N 1 1 356.426 3.160 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCc2nn(C(C)C)c(=O)cc2C1 ZINC000371498915 499334876 /nfs/dbraw/zinc/33/48/76/499334876.db2.gz ZZNOSJKIKIKTIZ-CQSZACIVSA-N 1 1 356.426 3.160 20 5 FGBDMO Cc1c(C[N@@H+]2CCCN(Cc3noc(C(C)C)n3)CC2)cccc1[N+](=O)[O-] ZINC000371547933 499340493 /nfs/dbraw/zinc/34/04/93/499340493.db2.gz CUEOTDGLYXEYJH-UHFFFAOYSA-N 1 1 373.457 3.118 20 5 FGBDMO CCc1nc(CN2CCC[C@H]([N@@H+](C)[C@@H](C)c3cccc([N+](=O)[O-])c3)C2)no1 ZINC000369238165 499381563 /nfs/dbraw/zinc/38/15/63/499381563.db2.gz RIPDHLJJTTWCRC-YOEHRIQHSA-N 1 1 373.457 3.198 20 5 FGBDMO CCc1nc(CN2CCC[C@@H]([N@@H+](C)[C@H](C)c3cccc([N+](=O)[O-])c3)C2)no1 ZINC000369238163 499381716 /nfs/dbraw/zinc/38/17/16/499381716.db2.gz RIPDHLJJTTWCRC-RHSMWYFYSA-N 1 1 373.457 3.198 20 5 FGBDMO CCOCc1cc(C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)ccc1OC ZINC000372275895 499415789 /nfs/dbraw/zinc/41/57/89/499415789.db2.gz YNISSHMADOBJPW-QGZVFWFLSA-N 1 1 374.441 3.174 20 5 FGBDMO C[N@H+]1CC[C@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000369565131 499418590 /nfs/dbraw/zinc/41/85/90/499418590.db2.gz UGVXRSSTDNTANV-BDJLRTHQSA-N 1 1 363.414 3.218 20 5 FGBDMO Cc1cccc(C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000369567527 499419371 /nfs/dbraw/zinc/41/93/71/499419371.db2.gz HWSHXVVBCGUUSG-CXAGYDPISA-N 1 1 359.451 3.388 20 5 FGBDMO Cc1cc(C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2cccs2)cc([N+](=O)[O-])c1 ZINC000369571407 499420586 /nfs/dbraw/zinc/42/05/86/499420586.db2.gz WUKCJPDPRZTBQA-GUYCJALGSA-N 1 1 359.451 3.388 20 5 FGBDMO CC(C)c1ccc(C[NH+]2CCC(N3C(=O)CCCC3=O)CC2)cc1[N+](=O)[O-] ZINC000372377832 499426249 /nfs/dbraw/zinc/42/62/49/499426249.db2.gz OOBUOBRPMLJVOG-UHFFFAOYSA-N 1 1 373.453 3.222 20 5 FGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)c1 ZINC000372393216 499428277 /nfs/dbraw/zinc/42/82/77/499428277.db2.gz QFVPGUVNSNJXHO-ZDUSSCGKSA-N 1 1 354.834 3.266 20 5 FGBDMO C[N@H+]1CCC[C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H]1c1cccs1 ZINC000369668616 499434280 /nfs/dbraw/zinc/43/42/80/499434280.db2.gz YFBLRGSNSPRJPH-HNAYVOBHSA-N 1 1 373.478 3.398 20 5 FGBDMO Cn1cc[nH+]c1[C@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000373058784 499449277 /nfs/dbraw/zinc/44/92/77/499449277.db2.gz OFFRQQGIZLNXNK-NSHDSACASA-N 1 1 352.341 3.314 20 5 FGBDMO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000373323691 499463408 /nfs/dbraw/zinc/46/34/08/499463408.db2.gz YROONHUPRZIQGK-JSGCOSHPSA-N 1 1 371.359 3.104 20 5 FGBDMO O=[N+]([O-])c1ccc(CNC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000373489374 499472931 /nfs/dbraw/zinc/47/29/31/499472931.db2.gz KUACVAKHXKPOIK-UHFFFAOYSA-N 1 1 357.376 3.490 20 5 FGBDMO Cc1cnn(-c2cc[nH+]cc2NC(=O)c2cc([N+](=O)[O-])cc(C)c2F)c1 ZINC000375213303 499496028 /nfs/dbraw/zinc/49/60/28/499496028.db2.gz YBTALAMODZRNFG-UHFFFAOYSA-N 1 1 355.329 3.184 20 5 FGBDMO O=C1C[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)CN1 ZINC000378321501 499501576 /nfs/dbraw/zinc/50/15/76/499501576.db2.gz TYDAYJSADYNRHR-WFASDCNBSA-N 1 1 371.359 3.104 20 5 FGBDMO C[N@H+]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H](c2ccccc2)C1 ZINC000375888525 499564938 /nfs/dbraw/zinc/56/49/38/499564938.db2.gz FQEBJSCBLHPJDE-RDJZCZTQSA-N 1 1 359.813 3.076 20 5 FGBDMO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398121575 499566520 /nfs/dbraw/zinc/56/65/20/499566520.db2.gz HFOYKSPFXFIFKF-RHSMWYFYSA-N 1 1 357.458 3.442 20 5 FGBDMO O=C(CC[N@H+](Cc1ccco1)C[C@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000410024532 499636935 /nfs/dbraw/zinc/63/69/35/499636935.db2.gz DWFJTQSHRXZHDE-MRXNPFEDSA-N 1 1 373.409 3.198 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@](O)(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000377716898 499724466 /nfs/dbraw/zinc/72/44/66/499724466.db2.gz GQUZXXOXTRZUHK-LJQANCHMSA-N 1 1 371.393 3.377 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1Cc2ccccc2C[C@H]1C ZINC000411318922 499725401 /nfs/dbraw/zinc/72/54/01/499725401.db2.gz ZRTGENUYHRVEIX-CQSZACIVSA-N 1 1 369.421 3.379 20 5 FGBDMO C[C@H]1COC[C@H](c2ccccc2)[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411425273 499738605 /nfs/dbraw/zinc/73/86/05/499738605.db2.gz MFGWFIWKIRPHNE-HNAYVOBHSA-N 1 1 369.421 3.385 20 5 FGBDMO C[C@H]1COC[C@H](c2ccccc2)[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411425273 499738607 /nfs/dbraw/zinc/73/86/07/499738607.db2.gz MFGWFIWKIRPHNE-HNAYVOBHSA-N 1 1 369.421 3.385 20 5 FGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000411688406 499777959 /nfs/dbraw/zinc/77/79/59/499777959.db2.gz CHFNEMUXAJUPCZ-GOSISDBHSA-N 1 1 357.385 3.014 20 5 FGBDMO O=C1[C@@H]([N@H+]2CCSC3(CCC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000411872811 499798604 /nfs/dbraw/zinc/79/86/04/499798604.db2.gz WFSYYWKBSNLWOV-INIZCTEOSA-N 1 1 361.467 3.062 20 5 FGBDMO C[C@H]1C[C@H]1[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@@H](C)C1 ZINC000413306601 499939739 /nfs/dbraw/zinc/93/97/39/499939739.db2.gz WBMQXHTYMYUREA-COPLHBTASA-N 1 1 358.364 3.175 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000421192093 499988846 /nfs/dbraw/zinc/98/88/46/499988846.db2.gz VJOXVTJYLCHHAO-UHFFFAOYSA-N 1 1 357.410 3.048 20 5 FGBDMO O=[N+]([O-])c1cccc2c1ccn2Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000421210778 499992805 /nfs/dbraw/zinc/99/28/05/499992805.db2.gz HPEUBBGBNNDJJZ-UHFFFAOYSA-N 1 1 351.406 3.430 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425066048 500010164 /nfs/dbraw/zinc/01/01/64/500010164.db2.gz NBAQFSMWQBTJLA-XJKSGUPXSA-N 1 1 363.483 3.263 20 5 FGBDMO CC(C)(C)[N@H+]1CCc2nc(NC(=O)c3ccccc3[N+](=O)[O-])sc2C1 ZINC000425080576 500014108 /nfs/dbraw/zinc/01/41/08/500014108.db2.gz MVPACWJQZXRJJP-UHFFFAOYSA-N 1 1 360.439 3.460 20 5 FGBDMO CC(C)(C)[N@H+]1CCc2nc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000425082255 500014164 /nfs/dbraw/zinc/01/41/64/500014164.db2.gz OQCNSGUVOFWZPA-UHFFFAOYSA-N 1 1 374.466 3.389 20 5 FGBDMO CCN1CCN(C[C@@H](C)C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417304356 500034845 /nfs/dbraw/zinc/03/48/45/500034845.db2.gz FHACUJCXGOKGHR-UWJYYQICSA-N 1 1 374.529 3.226 20 5 FGBDMO Cc1cc(CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc(N2CCCC2)[nH+]1 ZINC000421561543 500081436 /nfs/dbraw/zinc/08/14/36/500081436.db2.gz RQARIJODPKAXJF-UHFFFAOYSA-N 1 1 368.437 3.445 20 5 FGBDMO CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425425832 500102363 /nfs/dbraw/zinc/10/23/63/500102363.db2.gz RJGIAZMCIGZSAO-LBPRGKRZSA-N 1 1 356.264 3.131 20 5 FGBDMO CC[C@](C)(C(=O)OC)[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)CC1CC1 ZINC000425511254 500128651 /nfs/dbraw/zinc/12/86/51/500128651.db2.gz LFEMIXDSWXUZGG-GOSISDBHSA-N 1 1 350.415 3.157 20 5 FGBDMO CC[C@](C)(C(=O)OC)[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)CC1CC1 ZINC000425511254 500128654 /nfs/dbraw/zinc/12/86/54/500128654.db2.gz LFEMIXDSWXUZGG-GOSISDBHSA-N 1 1 350.415 3.157 20 5 FGBDMO COc1cc(OCc2ccc(C[NH+]3CCOCC3)cc2)ccc1[N+](=O)[O-] ZINC000421843447 500162604 /nfs/dbraw/zinc/16/26/04/500162604.db2.gz QRNOVIRHZNDHJL-UHFFFAOYSA-N 1 1 358.394 3.015 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000430211694 500209951 /nfs/dbraw/zinc/20/99/51/500209951.db2.gz YCDXPGPQDFTRSA-INIZCTEOSA-N 1 1 369.421 3.454 20 5 FGBDMO CNC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000430764466 500281686 /nfs/dbraw/zinc/28/16/86/500281686.db2.gz CVRUSUFBEGLMKA-SFHVURJKSA-N 1 1 359.451 3.281 20 5 FGBDMO C[C@@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000431870508 500436664 /nfs/dbraw/zinc/43/66/64/500436664.db2.gz IUONNSJQNBZRAT-CABCVRRESA-N 1 1 362.474 3.250 20 5 FGBDMO CC(C)[N@@H+](C)Cc1ccccc1CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000427993984 500456089 /nfs/dbraw/zinc/45/60/89/500456089.db2.gz QEFBOGVHRZIPHH-UHFFFAOYSA-N 1 1 353.426 3.345 20 5 FGBDMO O=C(C[N@@H+]1CCC[C@H](CC(F)(F)F)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000420945560 500537949 /nfs/dbraw/zinc/53/79/49/500537949.db2.gz KZRWDRLAKDHLGM-GFCCVEGCSA-N 1 1 371.359 3.148 20 5 FGBDMO O=C(C[N@H+]1CCC[C@H](CC(F)(F)F)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000420945560 500537951 /nfs/dbraw/zinc/53/79/51/500537951.db2.gz KZRWDRLAKDHLGM-GFCCVEGCSA-N 1 1 371.359 3.148 20 5 FGBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000428664300 500539663 /nfs/dbraw/zinc/53/96/63/500539663.db2.gz BEBILLCIESEOEV-QGZVFWFLSA-N 1 1 358.467 3.328 20 5 FGBDMO CCc1cc(N2CC[N@H+](C)C[C@@H]2CC)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000573508335 506205819 /nfs/dbraw/zinc/20/58/19/506205819.db2.gz LXBLCVQPKRTYQE-INIZCTEOSA-N 1 1 355.442 3.145 20 5 FGBDMO CN(CCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000447515252 500615165 /nfs/dbraw/zinc/61/51/65/500615165.db2.gz BLGDDEUHIDDHAZ-OALUTQOASA-N 1 1 371.485 3.387 20 5 FGBDMO C[N@H+]1CCC[C@@H]1CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000447681062 500644613 /nfs/dbraw/zinc/64/46/13/500644613.db2.gz VTZILRDKKVYSJQ-MRVPVSSYSA-N 1 1 354.279 3.150 20 5 FGBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000447693974 500647508 /nfs/dbraw/zinc/64/75/08/500647508.db2.gz OVEMGBVTCLSFDD-HIFRSBDPSA-N 1 1 351.410 3.140 20 5 FGBDMO CC[N@H+](Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)[C@H]1CCNC1=O ZINC000442971876 500656353 /nfs/dbraw/zinc/65/63/53/500656353.db2.gz YXQKNEGRNSDXSZ-SFHVURJKSA-N 1 1 368.437 3.073 20 5 FGBDMO CC[N@@H+](Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)[C@H]1CCNC1=O ZINC000442971876 500656358 /nfs/dbraw/zinc/65/63/58/500656358.db2.gz YXQKNEGRNSDXSZ-SFHVURJKSA-N 1 1 368.437 3.073 20 5 FGBDMO CC(C)NC(=O)c1ccc(NC[C@@H]2[N@@H+](C)CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000447810325 500667410 /nfs/dbraw/zinc/66/74/10/500667410.db2.gz IFNSBXPAQNBJSO-KRWDZBQOSA-N 1 1 362.474 3.265 20 5 FGBDMO Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000447963227 500697148 /nfs/dbraw/zinc/69/71/48/500697148.db2.gz MUXJROBDEFCOSV-PBHICJAKSA-N 1 1 362.474 3.384 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCCCOc3ccccc3)C2)nc1 ZINC000438093770 500736888 /nfs/dbraw/zinc/73/68/88/500736888.db2.gz JJMRGSJZLQBHND-MRXNPFEDSA-N 1 1 356.426 3.335 20 5 FGBDMO C[C@@H](CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000448705244 500809698 /nfs/dbraw/zinc/80/96/98/500809698.db2.gz SHEBKEVRLKNQCY-RYUDHWBXSA-N 1 1 373.375 3.464 20 5 FGBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC[C@H](C)O)c([N+](=O)[O-])c1 ZINC000444186174 500814741 /nfs/dbraw/zinc/81/47/41/500814741.db2.gz RLLWYFDURGTCLD-HNAYVOBHSA-N 1 1 371.437 3.286 20 5 FGBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC[C@H](C)O)c([N+](=O)[O-])c1 ZINC000444186174 500814746 /nfs/dbraw/zinc/81/47/46/500814746.db2.gz RLLWYFDURGTCLD-HNAYVOBHSA-N 1 1 371.437 3.286 20 5 FGBDMO O=C(NC[C@H]1CCCC[N@H+]1C1CC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000434352902 500831011 /nfs/dbraw/zinc/83/10/11/500831011.db2.gz QKNLCODVJAWUGE-GOSISDBHSA-N 1 1 372.469 3.286 20 5 FGBDMO Cc1c(CC(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000438901434 500833515 /nfs/dbraw/zinc/83/35/15/500833515.db2.gz IJMOMFLUBHUXDE-APWZRJJASA-N 1 1 367.449 3.397 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000444421793 500846222 /nfs/dbraw/zinc/84/62/22/500846222.db2.gz JCULQJHORAGEMX-UHFFFAOYSA-N 1 1 369.469 3.353 20 5 FGBDMO C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444662132 500874215 /nfs/dbraw/zinc/87/42/15/500874215.db2.gz JADDADVJXFSABI-KZULUSFZSA-N 1 1 352.394 3.295 20 5 FGBDMO C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444662132 500874217 /nfs/dbraw/zinc/87/42/17/500874217.db2.gz JADDADVJXFSABI-KZULUSFZSA-N 1 1 352.394 3.295 20 5 FGBDMO Cc1ccc([C@]2(C)CC[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)cc1 ZINC000434746488 500888254 /nfs/dbraw/zinc/88/82/54/500888254.db2.gz JMHUVKTVMPLDRS-HXUWFJFHSA-N 1 1 353.422 3.166 20 5 FGBDMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000434892569 500908534 /nfs/dbraw/zinc/90/85/34/500908534.db2.gz SRIRSVMOKQGLNI-DNVCBOLYSA-N 1 1 365.433 3.362 20 5 FGBDMO COc1cc(C[NH2+]Cc2ccnc(C)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000449405041 500995502 /nfs/dbraw/zinc/99/55/02/500995502.db2.gz WTQXXOXHAQXQQD-UHFFFAOYSA-N 1 1 367.352 3.241 20 5 FGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000449418148 500999351 /nfs/dbraw/zinc/99/93/51/500999351.db2.gz BMUCSNJDIQGOMW-FLXFGSMXSA-N 1 1 356.397 3.408 20 5 FGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000449418148 500999353 /nfs/dbraw/zinc/99/93/53/500999353.db2.gz BMUCSNJDIQGOMW-FLXFGSMXSA-N 1 1 356.397 3.408 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3C[C@H](O)C[C@@H]3[C@H]3CCCOC3)o2)c1 ZINC000449434295 501002259 /nfs/dbraw/zinc/00/22/59/501002259.db2.gz QJJNQXNTDYVSCV-KVSKMBFKSA-N 1 1 372.421 3.217 20 5 FGBDMO Cc1ncsc1CC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000449466310 501009526 /nfs/dbraw/zinc/00/95/26/501009526.db2.gz FNVCKLKYNOYGJE-MRXNPFEDSA-N 1 1 357.439 3.015 20 5 FGBDMO Cc1ccc(C)c(OCC[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000440484416 501013751 /nfs/dbraw/zinc/01/37/51/501013751.db2.gz HWYCZRAMWGFNNP-INIZCTEOSA-N 1 1 356.426 3.172 20 5 FGBDMO CCO[C@H]1CC[N@@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000449491258 501016010 /nfs/dbraw/zinc/01/60/10/501016010.db2.gz FZRDSJPKNZPYLI-FZMZJTMJSA-N 1 1 374.384 3.452 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000446045085 501066008 /nfs/dbraw/zinc/06/60/08/501066008.db2.gz PVIOKGJUFHLXHR-CYBMUJFWSA-N 1 1 351.834 3.303 20 5 FGBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000436137080 501076668 /nfs/dbraw/zinc/07/66/68/501076668.db2.gz XPAZBFFXERVEQK-INIZCTEOSA-N 1 1 353.422 3.148 20 5 FGBDMO Cc1nc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000450347266 501096244 /nfs/dbraw/zinc/09/62/44/501096244.db2.gz OUMNJKOWAUVAED-WMLDXEAASA-N 1 1 355.442 3.183 20 5 FGBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000450388217 501108158 /nfs/dbraw/zinc/10/81/58/501108158.db2.gz IFGXDVYYMJCWMR-CXAGYDPISA-N 1 1 356.426 3.072 20 5 FGBDMO COc1ccc(OCC[N@H+]2CC[C@@H](c3ccccc3OC)C2)c([N+](=O)[O-])c1 ZINC000441406662 501134340 /nfs/dbraw/zinc/13/43/40/501134340.db2.gz YMZSHVBPTLHROB-OAHLLOKOSA-N 1 1 372.421 3.480 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cnn(-c4ccc(F)cc4)c3)nc2c1 ZINC000446836893 501170486 /nfs/dbraw/zinc/17/04/86/501170486.db2.gz UIRAHSDDDJYVJO-UHFFFAOYSA-N 1 1 366.356 3.086 20 5 FGBDMO CC(C)[C@@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000451161229 501249114 /nfs/dbraw/zinc/24/91/14/501249114.db2.gz ICNCXVRZIGNPED-AWEZNQCLSA-N 1 1 359.348 3.026 20 5 FGBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000451543778 501318271 /nfs/dbraw/zinc/31/82/71/501318271.db2.gz CSGIDKIWZSAAKP-INIZCTEOSA-N 1 1 369.421 3.422 20 5 FGBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000451543778 501318275 /nfs/dbraw/zinc/31/82/75/501318275.db2.gz CSGIDKIWZSAAKP-INIZCTEOSA-N 1 1 369.421 3.422 20 5 FGBDMO O=C(C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)NC(C1CC1)C1CC1 ZINC000451545157 501319398 /nfs/dbraw/zinc/31/93/98/501319398.db2.gz GTIXVOFVRKDPGD-KRWDZBQOSA-N 1 1 357.454 3.079 20 5 FGBDMO O=C(C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)NC(C1CC1)C1CC1 ZINC000451545157 501319399 /nfs/dbraw/zinc/31/93/99/501319399.db2.gz GTIXVOFVRKDPGD-KRWDZBQOSA-N 1 1 357.454 3.079 20 5 FGBDMO CCO[C@@H]1CC[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C ZINC000451550579 501321176 /nfs/dbraw/zinc/32/11/76/501321176.db2.gz XAWPDOJZRCCTBV-HEHGZKQESA-N 1 1 360.414 3.453 20 5 FGBDMO COc1ccc2oc(C[NH+]3CCN(c4ncccc4[N+](=O)[O-])CC3)cc2c1 ZINC000453571195 501350405 /nfs/dbraw/zinc/35/04/05/501350405.db2.gz BEXLODFGIJPGGB-UHFFFAOYSA-N 1 1 368.393 3.067 20 5 FGBDMO Cc1cc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c2ccccc2n1 ZINC000453575541 501351683 /nfs/dbraw/zinc/35/16/83/501351683.db2.gz KOMXLUVOOQEPLA-UHFFFAOYSA-N 1 1 363.421 3.169 20 5 FGBDMO CO[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C12CCC2 ZINC000451845183 501384856 /nfs/dbraw/zinc/38/48/56/501384856.db2.gz IDZCXSGTNTVSTG-DLBZAZTESA-N 1 1 361.442 3.121 20 5 FGBDMO CO[C@@H]1C[C@@H]([N@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC000451857695 501386799 /nfs/dbraw/zinc/38/67/99/501386799.db2.gz UXWHRIBYJRLIEP-HUUCEWRRSA-N 1 1 367.833 3.076 20 5 FGBDMO CO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC000451857695 501386801 /nfs/dbraw/zinc/38/68/01/501386801.db2.gz UXWHRIBYJRLIEP-HUUCEWRRSA-N 1 1 367.833 3.076 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@@]3(CCSC3)C2)cccc1[N+](=O)[O-] ZINC000451978032 501412318 /nfs/dbraw/zinc/41/23/18/501412318.db2.gz OCZMCQRRAHEFGS-GOSISDBHSA-N 1 1 363.483 3.451 20 5 FGBDMO COC(=O)[C@@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1c1ccccc1 ZINC000452012942 501418611 /nfs/dbraw/zinc/41/86/11/501418611.db2.gz YDVXSKBYJCNIGM-HUUCEWRRSA-N 1 1 358.369 3.123 20 5 FGBDMO COC(=O)[C@@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000452012944 501418627 /nfs/dbraw/zinc/41/86/27/501418627.db2.gz YDVXSKBYJCNIGM-LSDHHAIUSA-N 1 1 358.369 3.123 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000452169990 501450854 /nfs/dbraw/zinc/45/08/54/501450854.db2.gz HLMRGMCGBZCMIE-DOTOQJQBSA-N 1 1 359.470 3.106 20 5 FGBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456317620 501496350 /nfs/dbraw/zinc/49/63/50/501496350.db2.gz ZCXIDNBTSCRBHA-INIZCTEOSA-N 1 1 353.422 3.189 20 5 FGBDMO Cc1[nH+]ccn1CCCNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454324201 501513818 /nfs/dbraw/zinc/51/38/18/501513818.db2.gz OBINIFFNZGLCBL-KRWDZBQOSA-N 1 1 371.441 3.079 20 5 FGBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000459264464 501621235 /nfs/dbraw/zinc/62/12/35/501621235.db2.gz NABGBXMPRVYISK-MRXNPFEDSA-N 1 1 362.474 3.247 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000455100667 501688006 /nfs/dbraw/zinc/68/80/06/501688006.db2.gz XUCIUUYSHHZEAQ-HOTGVXAUSA-N 1 1 362.474 3.323 20 5 FGBDMO C[C@H](Cc1cccc(F)c1)[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000459778069 501712472 /nfs/dbraw/zinc/71/24/72/501712472.db2.gz ZBXOUPPSHMDRLF-CQSZACIVSA-N 1 1 371.412 3.186 20 5 FGBDMO Cn1cc(CNC[C@@H]2CC[N@@H+]2C2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000598998047 506270041 /nfs/dbraw/zinc/27/00/41/506270041.db2.gz DBJPXVGEFLVTJQ-IBGZPJMESA-N 1 1 369.469 3.102 20 5 FGBDMO Cn1cc(CNC[C@@H]2CC[N@H+]2C2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000598998047 506270051 /nfs/dbraw/zinc/27/00/51/506270051.db2.gz DBJPXVGEFLVTJQ-IBGZPJMESA-N 1 1 369.469 3.102 20 5 FGBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000460477900 501834218 /nfs/dbraw/zinc/83/42/18/501834218.db2.gz CTCFGJMEPKAZDM-LSDHHAIUSA-N 1 1 350.463 3.384 20 5 FGBDMO CCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000478020146 501856641 /nfs/dbraw/zinc/85/66/41/501856641.db2.gz CGSVZKOJDIWJPE-IBGZPJMESA-N 1 1 371.485 3.168 20 5 FGBDMO C[C@@H]1C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@@H]1c1ccccc1 ZINC000471016898 501893682 /nfs/dbraw/zinc/89/36/82/501893682.db2.gz GBDVZIKIQGVCOE-CCKFTAQKSA-N 1 1 351.406 3.393 20 5 FGBDMO C[C@@H]1C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@@H]1c1ccccc1 ZINC000471016898 501893685 /nfs/dbraw/zinc/89/36/85/501893685.db2.gz GBDVZIKIQGVCOE-CCKFTAQKSA-N 1 1 351.406 3.393 20 5 FGBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@@H]1c1ccccc1 ZINC000471174547 501945930 /nfs/dbraw/zinc/94/59/30/501945930.db2.gz YPDYPCHADVMHJA-MRXNPFEDSA-N 1 1 353.378 3.340 20 5 FGBDMO CC(C)[C@@H]1OCCC[C@H]1Nc1nc(NCc2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000485835355 501956752 /nfs/dbraw/zinc/95/67/52/501956752.db2.gz QXWBSLWBDCZPSP-QAPCUYQASA-N 1 1 371.441 3.034 20 5 FGBDMO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000464346123 501961524 /nfs/dbraw/zinc/96/15/24/501961524.db2.gz HMLUIMYSGDTZGT-OAHLLOKOSA-N 1 1 357.410 3.335 20 5 FGBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cccc(Br)c1 ZINC000478404314 501969339 /nfs/dbraw/zinc/96/93/39/501969339.db2.gz HILBGJXZPMJNQE-UHFFFAOYSA-N 1 1 353.220 3.076 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596156705 506285441 /nfs/dbraw/zinc/28/54/41/506285441.db2.gz WDKPZOHSMQHULZ-KDOFPFPSSA-N 1 1 368.437 3.016 20 5 FGBDMO CC(C)[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(Br)cc1 ZINC000478433599 501981146 /nfs/dbraw/zinc/98/11/46/501981146.db2.gz LSDUQPLEVFQBGJ-UHFFFAOYSA-N 1 1 367.247 3.464 20 5 FGBDMO Cc1c(NC(=O)CC[N@@H+](CCO)CC2CCCCC2)cccc1[N+](=O)[O-] ZINC000485901152 501981481 /nfs/dbraw/zinc/98/14/81/501981481.db2.gz YIEGNDPYXIOIMV-UHFFFAOYSA-N 1 1 363.458 3.106 20 5 FGBDMO CCOc1ccnc(N2CCC[N@H+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000468240686 502001777 /nfs/dbraw/zinc/00/17/77/502001777.db2.gz HOEOMITUTGQJGZ-OAHLLOKOSA-N 1 1 371.441 3.057 20 5 FGBDMO COc1cc(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)ccc1[N+](=O)[O-] ZINC000464499307 502007002 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IUDRSFLQBUQBND-AAEUAGOBSA-N 1 1 354.248 3.278 20 5 FGBDMO C[C@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@H]1C ZINC000478671895 502052459 /nfs/dbraw/zinc/05/24/59/502052459.db2.gz URITXTKCPZBOOJ-HZPDHXFCSA-N 1 1 362.474 3.166 20 5 FGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000602764603 506290930 /nfs/dbraw/zinc/29/09/30/506290930.db2.gz DXGLOWIEGYLDQW-MJGOQNOKSA-N 1 1 358.442 3.199 20 5 FGBDMO C[C@@H](C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000468464219 502065786 /nfs/dbraw/zinc/06/57/86/502065786.db2.gz WWLMCCYWGDJSPM-MLGOLLRUSA-N 1 1 351.422 3.074 20 5 FGBDMO C[C@@H]1[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCC[N@H+]1C ZINC000475193001 502094318 /nfs/dbraw/zinc/09/43/18/502094318.db2.gz NPUANMYCMDTWOY-BXKDBHETSA-N 1 1 360.336 3.218 20 5 FGBDMO CC[N@@H+](Cc1cccs1)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000475554846 502212035 /nfs/dbraw/zinc/21/20/35/502212035.db2.gz OBALZAAZBMOBBR-UHFFFAOYSA-N 1 1 364.423 3.230 20 5 FGBDMO 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ZINC000487286674 502409333 /nfs/dbraw/zinc/40/93/33/502409333.db2.gz MXCPAYVFCZECAC-GOEBONIOSA-N 1 1 371.412 3.374 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000480208526 502501934 /nfs/dbraw/zinc/50/19/34/502501934.db2.gz WULKMYKLXKIHLN-ZBFHGGJFSA-N 1 1 369.421 3.420 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000480208526 502501937 /nfs/dbraw/zinc/50/19/37/502501937.db2.gz WULKMYKLXKIHLN-ZBFHGGJFSA-N 1 1 369.421 3.420 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000480208523 502502284 /nfs/dbraw/zinc/50/22/84/502502284.db2.gz WULKMYKLXKIHLN-GDBMZVCRSA-N 1 1 369.421 3.420 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000480208523 502502289 /nfs/dbraw/zinc/50/22/89/502502289.db2.gz WULKMYKLXKIHLN-GDBMZVCRSA-N 1 1 369.421 3.420 20 5 FGBDMO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000484153651 502586334 /nfs/dbraw/zinc/58/63/34/502586334.db2.gz BNBIPBXXKOAFBL-NBHGPNQESA-N 1 1 369.465 3.128 20 5 FGBDMO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000484153651 502586338 /nfs/dbraw/zinc/58/63/38/502586338.db2.gz BNBIPBXXKOAFBL-NBHGPNQESA-N 1 1 369.465 3.128 20 5 FGBDMO COCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[C@H]1C ZINC000488035503 502607647 /nfs/dbraw/zinc/60/76/47/502607647.db2.gz OBWVFJUUPUUPMY-IUODEOHRSA-N 1 1 369.849 3.324 20 5 FGBDMO O=[N+]([O-])c1cc2ccccc2nc1NCC[N@@H+]1CCc2sccc2C1 ZINC000473514495 502617797 /nfs/dbraw/zinc/61/77/97/502617797.db2.gz VXJPQUYMJNXMRB-UHFFFAOYSA-N 1 1 354.435 3.097 20 5 FGBDMO O=[N+]([O-])c1cc2ccccc2nc1NCC[N@H+]1CCc2sccc2C1 ZINC000473514495 502617804 /nfs/dbraw/zinc/61/78/04/502617804.db2.gz VXJPQUYMJNXMRB-UHFFFAOYSA-N 1 1 354.435 3.097 20 5 FGBDMO CNc1c(C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000462936679 502632410 /nfs/dbraw/zinc/63/24/10/502632410.db2.gz SBKZZSSVBHJDMK-ZBFHGGJFSA-N 1 1 368.437 3.202 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000462990919 502653088 /nfs/dbraw/zinc/65/30/88/502653088.db2.gz JFGHKYMOYLLNFQ-RBUKOAKNSA-N 1 1 373.497 3.354 20 5 FGBDMO COc1ccc([C@H](C)[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000484544918 502666359 /nfs/dbraw/zinc/66/63/59/502666359.db2.gz QKUUFTXUZULAAB-ZDUSSCGKSA-N 1 1 373.409 3.244 20 5 FGBDMO COc1ccc([C@H](C)[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000484544918 502666364 /nfs/dbraw/zinc/66/63/64/502666364.db2.gz QKUUFTXUZULAAB-ZDUSSCGKSA-N 1 1 373.409 3.244 20 5 FGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000470171044 502692106 /nfs/dbraw/zinc/69/21/06/502692106.db2.gz DTWFVTTYMCKLHM-JOIYNNFJSA-N 1 1 372.513 3.100 20 5 FGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000470179190 502697440 /nfs/dbraw/zinc/69/74/40/502697440.db2.gz UCMQEZJTVUHBKC-QWSHFYNQSA-N 1 1 357.454 3.236 20 5 FGBDMO CC(C)(C(=O)NCC[N@H+]1CCCC(C)(C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000470269494 502720755 /nfs/dbraw/zinc/72/07/55/502720755.db2.gz XPTGEDACZGNHIP-UHFFFAOYSA-N 1 1 365.449 3.250 20 5 FGBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](O)C2(C)C)cc1OC ZINC000463219334 502724358 /nfs/dbraw/zinc/72/43/58/502724358.db2.gz OZCJXGXMOLBXEM-FZKQIMNGSA-N 1 1 366.458 3.374 20 5 FGBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](O)C2(C)C)cc1OC ZINC000463219334 502724366 /nfs/dbraw/zinc/72/43/66/502724366.db2.gz OZCJXGXMOLBXEM-FZKQIMNGSA-N 1 1 366.458 3.374 20 5 FGBDMO CC[N@@H+](Cc1ccc(OC)cc1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000488592824 502760561 /nfs/dbraw/zinc/76/05/61/502760561.db2.gz KKXLCLVMFXIKCV-CQSZACIVSA-N 1 1 357.410 3.453 20 5 FGBDMO COCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[C@@H](C)C1 ZINC000484875587 502762722 /nfs/dbraw/zinc/76/27/22/502762722.db2.gz BJCIOBPAXXWPKI-OCCSQVGLSA-N 1 1 369.849 3.324 20 5 FGBDMO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000588771337 506333929 /nfs/dbraw/zinc/33/39/29/506333929.db2.gz YYPBQBPCSQJNJN-YRNRMSPPSA-N 1 1 367.449 3.478 20 5 FGBDMO C[C@@H]1[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000588771325 506334083 /nfs/dbraw/zinc/33/40/83/506334083.db2.gz WLARBGDKLXVRGX-ACJLOTCBSA-N 1 1 357.385 3.127 20 5 FGBDMO COCC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C[C@@H]1CC=CCC1 ZINC000485113966 502816346 /nfs/dbraw/zinc/81/63/46/502816346.db2.gz QDDRAPJMEOTXSE-MRXNPFEDSA-N 1 1 361.442 3.146 20 5 FGBDMO CC[N@@H+](C)[C@H](C(=O)N(C)CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000512986114 502826713 /nfs/dbraw/zinc/82/67/13/502826713.db2.gz TUQRPSHSZPRCKL-IBGZPJMESA-N 1 1 355.438 3.289 20 5 FGBDMO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509264874 502862294 /nfs/dbraw/zinc/86/22/94/502862294.db2.gz SVWKDSHZXSUVNK-CHWSQXEVSA-N 1 1 369.412 3.390 20 5 FGBDMO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509264874 502862295 /nfs/dbraw/zinc/86/22/95/502862295.db2.gz SVWKDSHZXSUVNK-CHWSQXEVSA-N 1 1 369.412 3.390 20 5 FGBDMO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000489208183 502901351 /nfs/dbraw/zinc/90/13/51/502901351.db2.gz UTYQVXGMLHBSRK-ZBFHGGJFSA-N 1 1 363.458 3.120 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000509509473 502921228 /nfs/dbraw/zinc/92/12/28/502921228.db2.gz KWLDGSQHUYPGNP-CHWSQXEVSA-N 1 1 351.472 3.262 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000509509473 502921232 /nfs/dbraw/zinc/92/12/32/502921232.db2.gz KWLDGSQHUYPGNP-CHWSQXEVSA-N 1 1 351.472 3.262 20 5 FGBDMO CCc1ccc([C@H]2CN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)CC[NH2+]2)cc1 ZINC000505517412 502923498 /nfs/dbraw/zinc/92/34/98/502923498.db2.gz STGPOONITOBWIC-GOSISDBHSA-N 1 1 353.422 3.252 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000505527754 502927545 /nfs/dbraw/zinc/92/75/45/502927545.db2.gz MHYXXRWJTUBNQS-SFHVURJKSA-N 1 1 363.483 3.265 20 5 FGBDMO CCc1ccc([C@H]([NH2+]CC(C)(C)OCCO)c2ccc([N+](=O)[O-])cc2)o1 ZINC000489827491 503043395 /nfs/dbraw/zinc/04/33/95/503043395.db2.gz SHACFEZGXPNYCK-GOSISDBHSA-N 1 1 362.426 3.217 20 5 FGBDMO C[C@@H](NC(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000489914082 503063607 /nfs/dbraw/zinc/06/36/07/503063607.db2.gz PCXCGKRZIVMPNO-LUXYFRNMSA-N 1 1 360.458 3.028 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCCN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000514086880 503083731 /nfs/dbraw/zinc/08/37/31/503083731.db2.gz DKIRWULKWAAOJU-VQIMIIECSA-N 1 1 371.485 3.272 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000502030147 503129654 /nfs/dbraw/zinc/12/96/54/503129654.db2.gz ZWUOLEBDAAMCCG-UHFFFAOYSA-N 1 1 364.405 3.347 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000502030147 503129659 /nfs/dbraw/zinc/12/96/59/503129659.db2.gz ZWUOLEBDAAMCCG-UHFFFAOYSA-N 1 1 364.405 3.347 20 5 FGBDMO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000510545165 503139703 /nfs/dbraw/zinc/13/97/03/503139703.db2.gz KKUGYCCNQYHCQO-UGSOOPFHSA-N 1 1 357.410 3.030 20 5 FGBDMO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000510545162 503139950 /nfs/dbraw/zinc/13/99/50/503139950.db2.gz KKUGYCCNQYHCQO-ACJLOTCBSA-N 1 1 357.410 3.030 20 5 FGBDMO C[C@@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000506684542 503155466 /nfs/dbraw/zinc/15/54/66/503155466.db2.gz YJBFIQZJSRDKQN-OAHLLOKOSA-N 1 1 369.421 3.037 20 5 FGBDMO C[C@@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000506684542 503155471 /nfs/dbraw/zinc/15/54/71/503155471.db2.gz YJBFIQZJSRDKQN-OAHLLOKOSA-N 1 1 369.421 3.037 20 5 FGBDMO Cc1ccc(NCCCNC(=O)CC[C@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000498561989 503212517 /nfs/dbraw/zinc/21/25/17/503212517.db2.gz BMJDDQPVLVJWJF-MRXNPFEDSA-N 1 1 362.474 3.086 20 5 FGBDMO COc1cc(C[N@@H+](CCO)[C@@H]2CC[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000515011848 503250219 /nfs/dbraw/zinc/25/02/19/503250219.db2.gz UZAKVVOPPBCFAR-WCQYABFASA-N 1 1 374.384 3.188 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511097753 503254216 /nfs/dbraw/zinc/25/42/16/503254216.db2.gz WTYXRSRGCMPUFS-LBPRGKRZSA-N 1 1 363.364 3.375 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511097753 503254221 /nfs/dbraw/zinc/25/42/21/503254221.db2.gz WTYXRSRGCMPUFS-LBPRGKRZSA-N 1 1 363.364 3.375 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000507301572 503273367 /nfs/dbraw/zinc/27/33/67/503273367.db2.gz KLLXMWMJDYQNFR-BLLLJJGKSA-N 1 1 363.483 3.309 20 5 FGBDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)nc1 ZINC000491146768 503279753 /nfs/dbraw/zinc/27/97/53/503279753.db2.gz OZMKTQKQNCQFCQ-OAHLLOKOSA-N 1 1 372.400 3.288 20 5 FGBDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)nc1 ZINC000491146768 503279758 /nfs/dbraw/zinc/27/97/58/503279758.db2.gz OZMKTQKQNCQFCQ-OAHLLOKOSA-N 1 1 372.400 3.288 20 5 FGBDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000491181567 503282346 /nfs/dbraw/zinc/28/23/46/503282346.db2.gz FJWZJSSVIQAEGP-ZFWWWQNUSA-N 1 1 351.422 3.251 20 5 FGBDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000491181567 503282348 /nfs/dbraw/zinc/28/23/48/503282348.db2.gz FJWZJSSVIQAEGP-ZFWWWQNUSA-N 1 1 351.422 3.251 20 5 FGBDMO CC[N@@H+](CCNc1nc2ccccc2cc1[N+](=O)[O-])CCC(F)(F)F ZINC000491721172 503327627 /nfs/dbraw/zinc/32/76/27/503327627.db2.gz QOHIFJWVIHMTSY-UHFFFAOYSA-N 1 1 356.348 3.251 20 5 FGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000492150252 503353056 /nfs/dbraw/zinc/35/30/56/503353056.db2.gz IFXMSAFTEJMKHH-HNNXBMFYSA-N 1 1 369.190 3.320 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@H](c3nncn3C(C)C)C2)ccc1[N+](=O)[O-] ZINC000492909601 503393205 /nfs/dbraw/zinc/39/32/05/503393205.db2.gz DWJYCTPOSRQCBX-HNNXBMFYSA-N 1 1 359.430 3.155 20 5 FGBDMO CCC[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC[N@H+]1CCOC ZINC000499640171 503447959 /nfs/dbraw/zinc/44/79/59/503447959.db2.gz FZAXOXVQQHFWLC-CQSZACIVSA-N 1 1 373.400 3.133 20 5 FGBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000499714479 503464811 /nfs/dbraw/zinc/46/48/11/503464811.db2.gz OKZFPKGKEBPNSN-CQSZACIVSA-N 1 1 351.472 3.068 20 5 FGBDMO Cc1cccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000493998129 503472711 /nfs/dbraw/zinc/47/27/11/503472711.db2.gz BYWPVHRBVBZWBH-QAPCUYQASA-N 1 1 353.422 3.296 20 5 FGBDMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000503896913 503484450 /nfs/dbraw/zinc/48/44/50/503484450.db2.gz YYWWBASBDHDWOZ-OAHLLOKOSA-N 1 1 353.850 3.171 20 5 FGBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000516358787 503501533 /nfs/dbraw/zinc/50/15/33/503501533.db2.gz YPEZUTQSEQXPOO-LSDHHAIUSA-N 1 1 350.463 3.384 20 5 FGBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000508759554 503559727 /nfs/dbraw/zinc/55/97/27/503559727.db2.gz UPRIVASZSDSRRF-ZNMIVQPWSA-N 1 1 374.485 3.265 20 5 FGBDMO CCCC[N@@H+](C)CC1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000509037433 503626294 /nfs/dbraw/zinc/62/62/94/503626294.db2.gz KUIUOIWHRZDWRP-UHFFFAOYSA-N 1 1 357.458 3.486 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000543206949 503679406 /nfs/dbraw/zinc/67/94/06/503679406.db2.gz GQYVUTBFYYVOER-RBUKOAKNSA-N 1 1 370.449 3.289 20 5 FGBDMO COCCn1cc2c(n1)[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)CCC2 ZINC000546228393 503679759 /nfs/dbraw/zinc/67/97/59/503679759.db2.gz NCJMMCDWZBOESL-KSSFIOAISA-N 1 1 358.442 3.474 20 5 FGBDMO CC(C)c1nnc(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000540155301 503691883 /nfs/dbraw/zinc/69/18/83/503691883.db2.gz DHIHPEJEIQTRTG-NSHDSACASA-N 1 1 363.443 3.077 20 5 FGBDMO CCOc1cc(N2CC[NH+](Cc3cccnc3C)CC2)ccc1[N+](=O)[O-] ZINC000527241594 503735808 /nfs/dbraw/zinc/73/58/08/503735808.db2.gz XCKGDVKYDXYASY-UHFFFAOYSA-N 1 1 356.426 3.019 20 5 FGBDMO CCc1ccc([C@H]([NH2+][C@H]2CCC(=O)N(C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543402218 503755220 /nfs/dbraw/zinc/75/52/20/503755220.db2.gz GKVLZCCYOZOJBD-IFXJQAMLSA-N 1 1 357.410 3.050 20 5 FGBDMO O=C(CC[N@H+]1CCCN(c2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000533246186 503774460 /nfs/dbraw/zinc/77/44/60/503774460.db2.gz FZOFNCKCZIRKIH-UHFFFAOYSA-N 1 1 368.437 3.136 20 5 FGBDMO C[C@H](C[N@@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccccc1 ZINC000533262994 503783510 /nfs/dbraw/zinc/78/35/10/503783510.db2.gz CLGUQMNZUKMHQI-BEFAXECRSA-N 1 1 353.422 3.436 20 5 FGBDMO Cn1ccc([C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2)n1 ZINC000537191278 503835020 /nfs/dbraw/zinc/83/50/20/503835020.db2.gz YNOKMMNYSSFDEH-LJQANCHMSA-N 1 1 370.384 3.225 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000543641634 503838778 /nfs/dbraw/zinc/83/87/78/503838778.db2.gz ONTNDAGXQFLCRR-CYBMUJFWSA-N 1 1 352.410 3.223 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)cc1 ZINC000546967561 503940812 /nfs/dbraw/zinc/94/08/12/503940812.db2.gz HQKRYLSANMQFGS-MRXNPFEDSA-N 1 1 365.393 3.419 20 5 FGBDMO CN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000518366281 503964388 /nfs/dbraw/zinc/96/43/88/503964388.db2.gz UKSCMJDYNKFVBY-HNNXBMFYSA-N 1 1 372.450 3.027 20 5 FGBDMO C[C@H]1CC[C@]2(CC[N@@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C2)C1 ZINC000541023920 503978206 /nfs/dbraw/zinc/97/82/06/503978206.db2.gz KCBIEZLLDIBUGC-LIRRHRJNSA-N 1 1 359.426 3.405 20 5 FGBDMO Cc1cc(NC(=O)NCCC[N@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000547450042 504109482 /nfs/dbraw/zinc/10/94/82/504109482.db2.gz WSLHXKGTDKWWFE-UHFFFAOYSA-N 1 1 368.437 3.473 20 5 FGBDMO CCc1ccc([C@@H]([NH2+][C@@H]2CCN(C(C)=O)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544380845 504110344 /nfs/dbraw/zinc/11/03/44/504110344.db2.gz DOTWEABPDPNNAP-BEFAXECRSA-N 1 1 357.410 3.050 20 5 FGBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2c2ccc(Br)s2)n1 ZINC000541392738 504116133 /nfs/dbraw/zinc/11/61/33/504116133.db2.gz KFDOTCLYCCCXDZ-SNVBAGLBSA-N 1 1 371.260 3.452 20 5 FGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]2c2ccc(Br)s2)n1 ZINC000541392738 504116138 /nfs/dbraw/zinc/11/61/38/504116138.db2.gz KFDOTCLYCCCXDZ-SNVBAGLBSA-N 1 1 371.260 3.452 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000519035108 504123501 /nfs/dbraw/zinc/12/35/01/504123501.db2.gz KNKBZNGQRHXTOO-SFHVURJKSA-N 1 1 372.421 3.273 20 5 FGBDMO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000538143650 504144534 /nfs/dbraw/zinc/14/45/34/504144534.db2.gz GQUNBAKZQNNABE-NSHDSACASA-N 1 1 365.336 3.486 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](COc1ccccc1)c1ccccc1 ZINC000538215440 504164308 /nfs/dbraw/zinc/16/43/08/504164308.db2.gz DJOSTHZXNVQKDW-QGZVFWFLSA-N 1 1 352.394 3.238 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](COc1ccccc1)c1ccccc1 ZINC000538215439 504164324 /nfs/dbraw/zinc/16/43/24/504164324.db2.gz DJOSTHZXNVQKDW-KRWDZBQOSA-N 1 1 352.394 3.238 20 5 FGBDMO CCN(CC)C(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000541995990 504328740 /nfs/dbraw/zinc/32/87/40/504328740.db2.gz AVJQZIRIQQJHBU-UHFFFAOYSA-N 1 1 353.850 3.329 20 5 FGBDMO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000531614687 504364596 /nfs/dbraw/zinc/36/45/96/504364596.db2.gz GHVOUHYBOQRRNN-OAHLLOKOSA-N 1 1 364.442 3.417 20 5 FGBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])cn3)cc2)C1 ZINC000531878041 504457122 /nfs/dbraw/zinc/45/71/22/504457122.db2.gz JJROEGNPRCBTOL-CQSZACIVSA-N 1 1 354.410 3.474 20 5 FGBDMO CSc1ccc(OC[C@@H](O)C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000520360656 504476600 /nfs/dbraw/zinc/47/66/00/504476600.db2.gz FEYIFXGWKKQLPW-HNNXBMFYSA-N 1 1 374.462 3.115 20 5 FGBDMO CSc1ccc(OC[C@@H](O)C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000520360656 504476601 /nfs/dbraw/zinc/47/66/01/504476601.db2.gz FEYIFXGWKKQLPW-HNNXBMFYSA-N 1 1 374.462 3.115 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+]3C[C@@H]4CC[C@H](O)[C@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000542484756 504509851 /nfs/dbraw/zinc/50/98/51/504509851.db2.gz STMJICOQFOOLHP-IWEFOYFVSA-N 1 1 358.394 3.066 20 5 FGBDMO CCc1ccc([C@@H]([NH2+]CC(C)(C)C(=O)NC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542494060 504512395 /nfs/dbraw/zinc/51/23/95/504512395.db2.gz JLMRPPGKVKTYPC-KRWDZBQOSA-N 1 1 359.426 3.201 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccccc3OCC3CC3)CC2)cn1 ZINC000535785666 504545049 /nfs/dbraw/zinc/54/50/49/504545049.db2.gz ATKRSNLCOMLWKL-UHFFFAOYSA-N 1 1 368.437 3.101 20 5 FGBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000520906547 504607191 /nfs/dbraw/zinc/60/71/91/504607191.db2.gz OUWGSNLZMVCGHF-OAHLLOKOSA-N 1 1 362.474 3.045 20 5 FGBDMO C[N@@H+](CCCNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)C1CCCCC1 ZINC000536029898 504612500 /nfs/dbraw/zinc/61/25/00/504612500.db2.gz SNVMEVTXICZEFS-UHFFFAOYSA-N 1 1 374.485 3.317 20 5 FGBDMO COc1ccccc1NC(=O)[C@@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000548928290 504624192 /nfs/dbraw/zinc/62/41/92/504624192.db2.gz NQAJXYORPMRWOO-CQSZACIVSA-N 1 1 357.410 3.105 20 5 FGBDMO COc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000548928290 504624195 /nfs/dbraw/zinc/62/41/95/504624195.db2.gz NQAJXYORPMRWOO-CQSZACIVSA-N 1 1 357.410 3.105 20 5 FGBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)NC1(c2ccccc2)CCC1 ZINC000548935265 504628636 /nfs/dbraw/zinc/62/86/36/504628636.db2.gz HKFLKBMEHLQLSP-UHFFFAOYSA-N 1 1 367.449 3.265 20 5 FGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)NC1(c2ccccc2)CCC1 ZINC000548935265 504628637 /nfs/dbraw/zinc/62/86/37/504628637.db2.gz HKFLKBMEHLQLSP-UHFFFAOYSA-N 1 1 367.449 3.265 20 5 FGBDMO CCOCCC[N@H+]1CC[C@@H](Nc2nc(C)cc(C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000542863514 504639227 /nfs/dbraw/zinc/63/92/27/504639227.db2.gz SLBWZGDGENHDFO-GOEBONIOSA-N 1 1 350.463 3.156 20 5 FGBDMO COc1ccc(NC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000542960720 504673832 /nfs/dbraw/zinc/67/38/32/504673832.db2.gz DMMSLVMBFIJIFQ-ZDUSSCGKSA-N 1 1 364.446 3.235 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000549083495 504678957 /nfs/dbraw/zinc/67/89/57/504678957.db2.gz HREIRXPTWFDZOY-UHFFFAOYSA-N 1 1 363.458 3.186 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@@H]1c1ccccc1 ZINC000536261846 504682156 /nfs/dbraw/zinc/68/21/56/504682156.db2.gz DGOCTAQOHHLHNO-BEFAXECRSA-N 1 1 364.405 3.251 20 5 FGBDMO CNc1ccc(C(=O)N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000521260380 504695871 /nfs/dbraw/zinc/69/58/71/504695871.db2.gz CHMMVYJNKJAAPH-IJEWVQPXSA-N 1 1 360.458 3.114 20 5 FGBDMO COc1ccccc1[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000532572233 504696362 /nfs/dbraw/zinc/69/63/62/504696362.db2.gz ICSQLRMEJXLVSL-HUUCEWRRSA-N 1 1 369.421 3.420 20 5 FGBDMO COc1ccccc1[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000532572233 504696370 /nfs/dbraw/zinc/69/63/70/504696370.db2.gz ICSQLRMEJXLVSL-HUUCEWRRSA-N 1 1 369.421 3.420 20 5 FGBDMO COc1cc(C[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000539812293 504697618 /nfs/dbraw/zinc/69/76/18/504697618.db2.gz LFLFOMQTPGLKDU-KRWDZBQOSA-N 1 1 369.421 3.057 20 5 FGBDMO COc1ccc(C[NH2+]Cc2cc(OC)c(OC)cc2F)cc1[N+](=O)[O-] ZINC000565080127 504789015 /nfs/dbraw/zinc/78/90/15/504789015.db2.gz UNRSTWFCZXOBLP-UHFFFAOYSA-N 1 1 350.346 3.050 20 5 FGBDMO C[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000565090105 504791206 /nfs/dbraw/zinc/79/12/06/504791206.db2.gz ZNERROOWXZBNAG-MRXNPFEDSA-N 1 1 370.453 3.074 20 5 FGBDMO CC1(C)c2ccccc2CC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000553007449 504803421 /nfs/dbraw/zinc/80/34/21/504803421.db2.gz WCFMOODJBCKINY-QGZVFWFLSA-N 1 1 356.422 3.128 20 5 FGBDMO COc1ccc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c(OC)c1OC ZINC000549408694 504813969 /nfs/dbraw/zinc/81/39/69/504813969.db2.gz PPXTUZCJJDSOJP-UHFFFAOYSA-N 1 1 360.410 3.295 20 5 FGBDMO CC[C@@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000559277671 504818242 /nfs/dbraw/zinc/81/82/42/504818242.db2.gz MYRUPVYZVYVFDX-KRWDZBQOSA-N 1 1 353.422 3.395 20 5 FGBDMO COCCn1cc2c(n1)[C@H]([NH2+][C@@H]1CCc3c1cccc3[N+](=O)[O-])CCC2 ZINC000565218751 504828015 /nfs/dbraw/zinc/82/80/15/504828015.db2.gz ZXSVGBPHPIKJHL-IAGOWNOFSA-N 1 1 356.426 3.092 20 5 FGBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000562547409 504854133 /nfs/dbraw/zinc/85/41/33/504854133.db2.gz IVCOQHJIJSVSIT-HNNXBMFYSA-N 1 1 363.461 3.286 20 5 FGBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](O)CC2)cc1OC ZINC000559480454 504872375 /nfs/dbraw/zinc/87/23/75/504872375.db2.gz VNEKEMLSFCFMAK-ZBFHGGJFSA-N 1 1 366.458 3.375 20 5 FGBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](O)CC2)cc1OC ZINC000559480454 504872377 /nfs/dbraw/zinc/87/23/77/504872377.db2.gz VNEKEMLSFCFMAK-ZBFHGGJFSA-N 1 1 366.458 3.375 20 5 FGBDMO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000565505010 504906546 /nfs/dbraw/zinc/90/65/46/504906546.db2.gz KONYYWGIIKQTEM-KRWDZBQOSA-N 1 1 357.410 3.285 20 5 FGBDMO C[C@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC[N@H+](C2CCC2)C1 ZINC000553518204 504937773 /nfs/dbraw/zinc/93/77/73/504937773.db2.gz TXHDWHWJNZVNLL-CYBMUJFWSA-N 1 1 356.426 3.023 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+][C@H]1CCOC2(CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000556887493 505006511 /nfs/dbraw/zinc/00/65/11/505006511.db2.gz YDEHHXIGYXWYKX-FUHWJXTLSA-N 1 1 370.453 3.499 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000550445159 505045952 /nfs/dbraw/zinc/04/59/52/505045952.db2.gz PDMYQRJBJUHJPT-GDBMZVCRSA-N 1 1 361.442 3.443 20 5 FGBDMO Cc1ccc(CCC[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000550473646 505051386 /nfs/dbraw/zinc/05/13/86/505051386.db2.gz BCJSSISTVUDRTF-UHFFFAOYSA-N 1 1 367.449 3.294 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](CC)C[C@@H]1C ZINC000563325118 505108871 /nfs/dbraw/zinc/10/88/71/505108871.db2.gz SHNNTJNZJBNZKQ-ZDUSSCGKSA-N 1 1 351.472 3.263 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](CC)C[C@@H]1C ZINC000563325118 505108874 /nfs/dbraw/zinc/10/88/74/505108874.db2.gz SHNNTJNZJBNZKQ-ZDUSSCGKSA-N 1 1 351.472 3.263 20 5 FGBDMO C[N@@H+]1CCO[C@@H](CSCc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000566213936 505113438 /nfs/dbraw/zinc/11/34/38/505113438.db2.gz BTVQBEHELZZGOI-GFCCVEGCSA-N 1 1 350.362 3.177 20 5 FGBDMO C[N@H+]1CCO[C@@H](CSCc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000566213936 505113440 /nfs/dbraw/zinc/11/34/40/505113440.db2.gz BTVQBEHELZZGOI-GFCCVEGCSA-N 1 1 350.362 3.177 20 5 FGBDMO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000554289467 505135865 /nfs/dbraw/zinc/13/58/65/505135865.db2.gz CRNCHMQMGCXLKE-INIZCTEOSA-N 1 1 363.458 3.120 20 5 FGBDMO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCn1cc(Br)cn1 ZINC000566395412 505163433 /nfs/dbraw/zinc/16/34/33/505163433.db2.gz GQQNBNQGSSCXIG-XQRVVYSFSA-N 1 1 365.231 3.199 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC)C[C@@H]1CCC[N@H+]1CC ZINC000554599197 505217479 /nfs/dbraw/zinc/21/74/79/505217479.db2.gz KLMRXSGADLKEHE-MJGOQNOKSA-N 1 1 361.486 3.496 20 5 FGBDMO CC1=C(c2ccco2)C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000560975727 505220601 /nfs/dbraw/zinc/22/06/01/505220601.db2.gz RMUXDPLDINKBSW-HNNXBMFYSA-N 1 1 358.394 3.107 20 5 FGBDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000557771315 505226391 /nfs/dbraw/zinc/22/63/91/505226391.db2.gz VQPRCJFVPFJWJA-UHFFFAOYSA-N 1 1 365.817 3.435 20 5 FGBDMO O=C(NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)c1ccccc1[N+](=O)[O-] ZINC000561082563 505246885 /nfs/dbraw/zinc/24/68/85/505246885.db2.gz DBNYKPJGBVUJBT-KRWDZBQOSA-N 1 1 365.389 3.449 20 5 FGBDMO C[C@H](NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000561157771 505267064 /nfs/dbraw/zinc/26/70/64/505267064.db2.gz ZKXHJLYUHGOJER-YJBOKZPZSA-N 1 1 353.422 3.294 20 5 FGBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000561749281 505425499 /nfs/dbraw/zinc/42/54/99/505425499.db2.gz WOMWIHUDTIPMNJ-ZOWXZIJZSA-N 1 1 351.834 3.051 20 5 FGBDMO C[C@@H]1CCC[C@@](CNCCC(=O)Nc2ccccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000558573364 505427548 /nfs/dbraw/zinc/42/75/48/505427548.db2.gz JKHGDTDJUJVDBZ-DNVCBOLYSA-N 1 1 362.474 3.024 20 5 FGBDMO CC(C)[C@@H]1OCCC[C@H]1C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000552277744 505448114 /nfs/dbraw/zinc/44/81/14/505448114.db2.gz HNBYXVPBSVQGFU-WDSOQIARSA-N 1 1 372.469 3.459 20 5 FGBDMO C[N@@H+](C[C@H](O)CNc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C1CC1 ZINC000567493905 505479740 /nfs/dbraw/zinc/47/97/40/505479740.db2.gz MJFPGPSNWCZASX-QGZVFWFLSA-N 1 1 357.410 3.254 20 5 FGBDMO Cn1cc(C[N@H+]2CC[C@@H](COC(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000561975469 505482227 /nfs/dbraw/zinc/48/22/27/505482227.db2.gz WNPGGBRMEHUYSL-GFCCVEGCSA-N 1 1 366.368 3.056 20 5 FGBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[N@H+]1CCC[C@H](C)C1 ZINC000559048458 505556881 /nfs/dbraw/zinc/55/68/81/505556881.db2.gz BXVDZIODLCXSDO-NWDGAFQWSA-N 1 1 373.375 3.464 20 5 FGBDMO O=C1CCc2cc([N+](=O)[O-])c(N[C@@H]3CC[N@H+](C4CCCCC4)C3)cc2N1 ZINC000596480437 506426546 /nfs/dbraw/zinc/42/65/46/506426546.db2.gz ZFCAIZASQKGENY-CQSZACIVSA-N 1 1 358.442 3.298 20 5 FGBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccnc(C[NH+](C)C)c1 ZINC000603147166 506438166 /nfs/dbraw/zinc/43/81/66/506438166.db2.gz WOLQPSMNUGVVFL-UHFFFAOYSA-N 1 1 371.441 3.494 20 5 FGBDMO O=[N+]([O-])c1ccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)nc1 ZINC000596524993 506446886 /nfs/dbraw/zinc/44/68/86/506446886.db2.gz GWDMROHZZMSQLQ-KRWDZBQOSA-N 1 1 352.438 3.126 20 5 FGBDMO O=[N+]([O-])c1cccc(F)c1Cn1cc(C[NH2+][C@@H]2CCc3ccccc32)nn1 ZINC000603203925 506456376 /nfs/dbraw/zinc/45/63/76/506456376.db2.gz RVGAIQKGJXYPIA-GOSISDBHSA-N 1 1 367.384 3.151 20 5 FGBDMO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000589186975 506475324 /nfs/dbraw/zinc/47/53/24/506475324.db2.gz NQQPGFKPTHAHJP-HBFSDRIKSA-N 1 1 354.406 3.305 20 5 FGBDMO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000589186975 506475333 /nfs/dbraw/zinc/47/53/33/506475333.db2.gz NQQPGFKPTHAHJP-HBFSDRIKSA-N 1 1 354.406 3.305 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000599511919 506479852 /nfs/dbraw/zinc/47/98/52/506479852.db2.gz CXWXIORBBKVQRT-BETUJISGSA-N 1 1 355.385 3.455 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@@H](C)Cc2ccccc2OC)c1 ZINC000589498480 506570910 /nfs/dbraw/zinc/57/09/10/506570910.db2.gz RFJQNXUNOPCFQM-AWEZNQCLSA-N 1 1 372.421 3.453 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C[C@H]2CCCO2)C2CCCC2)c1 ZINC000589502907 506572549 /nfs/dbraw/zinc/57/25/49/506572549.db2.gz GQFTWWHUOSUVIB-QGZVFWFLSA-N 1 1 362.426 3.305 20 5 FGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593440248 506621185 /nfs/dbraw/zinc/62/11/85/506621185.db2.gz MYJSDMFEEFTHGY-VBQJREDUSA-N 1 1 363.433 3.140 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C[C@H]1C ZINC000599830946 506664124 /nfs/dbraw/zinc/66/41/24/506664124.db2.gz GGNWUBIAMIDRRO-ZIAGYGMSSA-N 1 1 371.441 3.480 20 5 FGBDMO CC[N@H+]1C[C@H](C)N(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C[C@H]1C ZINC000599833393 506666383 /nfs/dbraw/zinc/66/63/83/506666383.db2.gz RCXIBASOXUBKKI-OLZOCXBDSA-N 1 1 357.414 3.089 20 5 FGBDMO C[C@H]1C[C@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000593520544 506667388 /nfs/dbraw/zinc/66/73/88/506667388.db2.gz HCOVMWNYXVBDBS-KSSFIOAISA-N 1 1 371.412 3.056 20 5 FGBDMO C[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000604126732 506724429 /nfs/dbraw/zinc/72/44/29/506724429.db2.gz UMHBSQCHRBPQHU-KXBFYZLASA-N 1 1 368.437 3.354 20 5 FGBDMO C[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000604126732 506724434 /nfs/dbraw/zinc/72/44/34/506724434.db2.gz UMHBSQCHRBPQHU-KXBFYZLASA-N 1 1 368.437 3.354 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000608856056 506726235 /nfs/dbraw/zinc/72/62/35/506726235.db2.gz ZDPUZLWIKRXEQX-UHFFFAOYSA-N 1 1 351.204 3.464 20 5 FGBDMO COc1cc(C[N@@H+](C)[C@H](C)CCO)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000593694797 506736422 /nfs/dbraw/zinc/73/64/22/506736422.db2.gz SWBUEFSZYITFAI-OAHLLOKOSA-N 1 1 374.437 3.385 20 5 FGBDMO C[NH+](C)[C@@H](C(=O)NCCc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000583388996 506753366 /nfs/dbraw/zinc/75/33/66/506753366.db2.gz SXEAEUMYKUPTCO-QGZVFWFLSA-N 1 1 361.829 3.210 20 5 FGBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000593772471 506769999 /nfs/dbraw/zinc/76/99/99/506769999.db2.gz QIQUZWXVSHAJMK-RBSFLKMASA-N 1 1 356.426 3.046 20 5 FGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000609193244 506808276 /nfs/dbraw/zinc/80/82/76/506808276.db2.gz VSQQGXJSHRTBNZ-HNNXBMFYSA-N 1 1 358.442 3.495 20 5 FGBDMO CCCC(=O)NC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000609193309 506808670 /nfs/dbraw/zinc/80/86/70/506808670.db2.gz YWCJUYJRCJWUOG-UHFFFAOYSA-N 1 1 363.458 3.263 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@H](Cn4ccnn4)C3)s2)cc1 ZINC000597174105 506812717 /nfs/dbraw/zinc/81/27/17/506812717.db2.gz JPBLEPWHXDTGHI-CQSZACIVSA-N 1 1 369.450 3.437 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@@H](Oc3ccccc3)C1)OCCO2 ZINC000597227529 506848569 /nfs/dbraw/zinc/84/85/69/506848569.db2.gz GBUCJBVCIIDVNQ-MRXNPFEDSA-N 1 1 356.378 3.019 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@@H](Oc3ccccc3)C1)OCCO2 ZINC000597227529 506848576 /nfs/dbraw/zinc/84/85/76/506848576.db2.gz GBUCJBVCIIDVNQ-MRXNPFEDSA-N 1 1 356.378 3.019 20 5 FGBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000604519575 506858597 /nfs/dbraw/zinc/85/85/97/506858597.db2.gz YAFIUGCNAPMOCL-ZBFHGGJFSA-N 1 1 372.450 3.075 20 5 FGBDMO COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000604541014 506866830 /nfs/dbraw/zinc/86/68/30/506866830.db2.gz ZTBKZVLKDITSBI-HNNXBMFYSA-N 1 1 372.421 3.415 20 5 FGBDMO CC[N@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000590579508 506867771 /nfs/dbraw/zinc/86/77/71/506867771.db2.gz WKYWAOOJPBGJQS-LLVKDONJSA-N 1 1 355.822 3.321 20 5 FGBDMO CC[N@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000590579510 506867799 /nfs/dbraw/zinc/86/77/99/506867799.db2.gz WKYWAOOJPBGJQS-NSHDSACASA-N 1 1 355.822 3.321 20 5 FGBDMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609442994 506882734 /nfs/dbraw/zinc/88/27/34/506882734.db2.gz ZBSYSFIGQDTNNS-UHFFFAOYSA-N 1 1 354.341 3.158 20 5 FGBDMO C[N@H+]1CCCC[C@@H](CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000600316301 506900605 /nfs/dbraw/zinc/90/06/05/506900605.db2.gz ZGGSVQHVYAXMIE-NSHDSACASA-N 1 1 359.348 3.075 20 5 FGBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](c3ccco3)C2)c([N+](=O)[O-])c1 ZINC000609540413 506914837 /nfs/dbraw/zinc/91/48/37/506914837.db2.gz VOQZJNFAZVLUMG-OLZOCXBDSA-N 1 1 359.382 3.013 20 5 FGBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](c3ccco3)C2)c([N+](=O)[O-])c1 ZINC000609540413 506914843 /nfs/dbraw/zinc/91/48/43/506914843.db2.gz VOQZJNFAZVLUMG-OLZOCXBDSA-N 1 1 359.382 3.013 20 5 FGBDMO CC(C)(C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1F ZINC000594195093 506999049 /nfs/dbraw/zinc/99/90/49/506999049.db2.gz BXAIJRWNIRFIHI-SJORKVTESA-N 1 1 363.433 3.145 20 5 FGBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000594195712 507000010 /nfs/dbraw/zinc/00/00/10/507000010.db2.gz HQUFSSOVHRMTRI-GJZGRUSLSA-N 1 1 371.359 3.360 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)N(C)Cc2cc(C(C)(C)C)[nH]n2)cccc1[N+](=O)[O-] ZINC000583851649 507008301 /nfs/dbraw/zinc/00/83/01/507008301.db2.gz GKJQXLUFBRVOOO-ZDUSSCGKSA-N 1 1 373.457 3.383 20 5 FGBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000609874618 507033074 /nfs/dbraw/zinc/03/30/74/507033074.db2.gz WQGPTNYSSNOLQO-FRRDWIJNSA-N 1 1 353.850 3.344 20 5 FGBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000609874621 507034110 /nfs/dbraw/zinc/03/41/10/507034110.db2.gz WQGPTNYSSNOLQO-XQQFMLRXSA-N 1 1 353.850 3.344 20 5 FGBDMO O=[N+]([O-])c1cnc(N2CC[NH+](CCc3cccs3)CC2)c(Cl)c1 ZINC000609892307 507040181 /nfs/dbraw/zinc/04/01/81/507040181.db2.gz UKVFOCPZZJZVSM-UHFFFAOYSA-N 1 1 352.847 3.069 20 5 FGBDMO CC(C)(C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000610036914 507078965 /nfs/dbraw/zinc/07/89/65/507078965.db2.gz UYSNHRJRBGBBNP-GOSISDBHSA-N 1 1 367.449 3.263 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000597922636 507176879 /nfs/dbraw/zinc/17/68/79/507176879.db2.gz JSDPNIJKDDZKGY-ZDUSSCGKSA-N 1 1 369.849 3.006 20 5 FGBDMO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000598220014 507323054 /nfs/dbraw/zinc/32/30/54/507323054.db2.gz NJLCNZQTILFAKI-CQSZACIVSA-N 1 1 356.426 3.213 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000598220041 507323351 /nfs/dbraw/zinc/32/33/51/507323351.db2.gz OCTJNSTYYDKJHD-CYBMUJFWSA-N 1 1 363.483 3.454 20 5 FGBDMO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000584461858 507357808 /nfs/dbraw/zinc/35/78/08/507357808.db2.gz DFLCHOWPWCOFPQ-JKIFEVAISA-N 1 1 374.412 3.481 20 5 FGBDMO COc1ccc(C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C(C)(C)C)cc1 ZINC000584493246 507375431 /nfs/dbraw/zinc/37/54/31/507375431.db2.gz NOENNBBWIFCMQL-UHFFFAOYSA-N 1 1 359.426 3.066 20 5 FGBDMO CC(C)[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000610788691 507391372 /nfs/dbraw/zinc/39/13/72/507391372.db2.gz DFIFRQMVRUCHNG-LJQANCHMSA-N 1 1 353.422 3.449 20 5 FGBDMO CCS(=O)(=O)C1(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000595105861 507394916 /nfs/dbraw/zinc/39/49/16/507394916.db2.gz TXKYKMYMEXHXLQ-SFHVURJKSA-N 1 1 374.462 3.241 20 5 FGBDMO C[C@H]1[C@@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000601583196 507394941 /nfs/dbraw/zinc/39/49/41/507394941.db2.gz XVMCCPBCPJYPKA-BBRMVZONSA-N 1 1 357.385 3.127 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601666249 507420762 /nfs/dbraw/zinc/42/07/62/507420762.db2.gz XVXIVMNZOWSENZ-HNNXBMFYSA-N 1 1 359.470 3.253 20 5 FGBDMO O=C(CC1CCCC1)NC1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595310073 507456543 /nfs/dbraw/zinc/45/65/43/507456543.db2.gz CHEZVKINVOLRHM-UHFFFAOYSA-N 1 1 363.433 3.395 20 5 FGBDMO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000595311076 507458270 /nfs/dbraw/zinc/45/82/70/507458270.db2.gz AEUQOIKJZZJKQG-UHFFFAOYSA-N 1 1 355.373 3.156 20 5 FGBDMO O=C(CSc1ccccc1[N+](=O)[O-])NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000598507933 507465230 /nfs/dbraw/zinc/46/52/30/507465230.db2.gz DSXZGXCCVGABQH-MRXNPFEDSA-N 1 1 371.462 3.078 20 5 FGBDMO O=C(CSc1ccccc1[N+](=O)[O-])NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000598507933 507465232 /nfs/dbraw/zinc/46/52/32/507465232.db2.gz DSXZGXCCVGABQH-MRXNPFEDSA-N 1 1 371.462 3.078 20 5 FGBDMO Cc1noc(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1[N+](=O)[O-] ZINC000595409054 507485088 /nfs/dbraw/zinc/48/50/88/507485088.db2.gz JLZLDYFEDTXGEW-UHFFFAOYSA-N 1 1 370.453 3.379 20 5 FGBDMO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000598558776 507486818 /nfs/dbraw/zinc/48/68/18/507486818.db2.gz DCJXNQXZJFPWIL-ZDUSSCGKSA-N 1 1 351.834 3.100 20 5 FGBDMO COC(=O)c1ccc2[nH]c(C[NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)nc2c1 ZINC000595418984 507488282 /nfs/dbraw/zinc/48/82/82/507488282.db2.gz HHCVKCYPHXKFAD-LBPRGKRZSA-N 1 1 368.393 3.417 20 5 FGBDMO COc1ccccc1C1([NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000592142756 507505623 /nfs/dbraw/zinc/50/56/23/507505623.db2.gz CUTXVKIAMNVYHY-UHFFFAOYSA-N 1 1 355.394 3.129 20 5 FGBDMO Cc1noc(C[NH+]2CCC(N3CCc4cc(F)ccc43)CC2)c1[N+](=O)[O-] ZINC000595473895 507517006 /nfs/dbraw/zinc/51/70/06/507517006.db2.gz CCFTZZIOBVGHNY-UHFFFAOYSA-N 1 1 360.389 3.057 20 5 FGBDMO Cc1noc(C[NH2+][C@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000595489175 507527689 /nfs/dbraw/zinc/52/76/89/507527689.db2.gz QMFVQALFQKFRCG-XJKSGUPXSA-N 1 1 350.806 3.080 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000592192013 507531892 /nfs/dbraw/zinc/53/18/92/507531892.db2.gz FNJPMDWPQKEJRH-OAHLLOKOSA-N 1 1 361.442 3.265 20 5 FGBDMO C[N@H+]1CC[C@@]2(C1)CCCN(Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000595505817 507534810 /nfs/dbraw/zinc/53/48/10/507534810.db2.gz YXWACYGLRZEFBE-LJQANCHMSA-N 1 1 356.426 3.168 20 5 FGBDMO CC(C)N1CC[NH+](C2CCN([C@H](C)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000611181023 507549715 /nfs/dbraw/zinc/54/97/15/507549715.db2.gz SNIZDXFIPJBDGU-QGZVFWFLSA-N 1 1 360.502 3.146 20 5 FGBDMO Cc1noc(C[NH+]2CCC(Cc3nc4ccccc4[nH]3)CC2)c1[N+](=O)[O-] ZINC000595552453 507557088 /nfs/dbraw/zinc/55/70/88/507557088.db2.gz VVXVDUDBBXXZJI-UHFFFAOYSA-N 1 1 355.398 3.222 20 5 FGBDMO CC[N@H+](CC(=O)N(C)C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000611254540 507583753 /nfs/dbraw/zinc/58/37/53/507583753.db2.gz FOOLPAYEDLKIIB-UHFFFAOYSA-N 1 1 370.453 3.273 20 5 FGBDMO CC[N@@H+](CC(=O)N(C)C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000611254540 507583758 /nfs/dbraw/zinc/58/37/58/507583758.db2.gz FOOLPAYEDLKIIB-UHFFFAOYSA-N 1 1 370.453 3.273 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC=C(c3ccccc3)C2)c1 ZINC000585756040 507617501 /nfs/dbraw/zinc/61/75/01/507617501.db2.gz XJTQWLROQKMPCF-IBGZPJMESA-N 1 1 354.406 3.124 20 5 FGBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@H](c4ccccc4)[C@H](CO)C3)nc2c1 ZINC000595746543 507661333 /nfs/dbraw/zinc/66/13/33/507661333.db2.gz BVFWICCDMGIJDM-DOTOQJQBSA-N 1 1 367.405 3.334 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H](CCF)C2)c([N+](=O)[O-])c1 ZINC000595756371 507669370 /nfs/dbraw/zinc/66/93/70/507669370.db2.gz UQFWQRHFERCOCY-CYBMUJFWSA-N 1 1 353.394 3.004 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H](CCF)C2)c([N+](=O)[O-])c1 ZINC000595756371 507669372 /nfs/dbraw/zinc/66/93/72/507669372.db2.gz UQFWQRHFERCOCY-CYBMUJFWSA-N 1 1 353.394 3.004 20 5 FGBDMO COc1cc(C[N@H+]2CC3(C[C@H]2C)CCOCC3)c([N+](=O)[O-])cc1OC ZINC000592527738 507697061 /nfs/dbraw/zinc/69/70/61/507697061.db2.gz OSKYSRXCYJLIAI-CYBMUJFWSA-N 1 1 350.415 3.003 20 5 FGBDMO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000595812240 507697670 /nfs/dbraw/zinc/69/76/70/507697670.db2.gz XLVMMDNLWLHRNN-DYEKYZERSA-N 1 1 372.450 3.387 20 5 FGBDMO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000595812240 507697677 /nfs/dbraw/zinc/69/76/77/507697677.db2.gz XLVMMDNLWLHRNN-DYEKYZERSA-N 1 1 372.450 3.387 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)cccc1[N+](=O)[O-] ZINC000595909701 507737580 /nfs/dbraw/zinc/73/75/80/507737580.db2.gz MSEMHWVEPKRRBF-YSGRDPCXSA-N 1 1 373.453 3.123 20 5 FGBDMO CCC[N@H+]1CC[C@H](CNCc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602526511 507738324 /nfs/dbraw/zinc/73/83/24/507738324.db2.gz KXWLDGNHJZISRD-SNVBAGLBSA-N 1 1 362.293 3.240 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]CC1(O)CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000611560918 507741317 /nfs/dbraw/zinc/74/13/17/507741317.db2.gz HWRTYVMXXLNOTN-KRWDZBQOSA-N 1 1 358.442 3.093 20 5 FGBDMO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@H](O)COCc1ccccc1 ZINC000174858750 705522883 /nfs/dbraw/zinc/52/28/83/705522883.db2.gz CAEILYGYRCKLRZ-KRWDZBQOSA-N 1 1 364.829 3.258 20 5 FGBDMO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@H](O)COCc1ccccc1 ZINC000174858750 705522885 /nfs/dbraw/zinc/52/28/85/705522885.db2.gz CAEILYGYRCKLRZ-KRWDZBQOSA-N 1 1 364.829 3.258 20 5 FGBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000246157320 713618437 /nfs/dbraw/zinc/61/84/37/713618437.db2.gz IGJVVNMPTVHVNN-XQQFMLRXSA-N 1 1 353.850 3.344 20 5 FGBDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000523660640 714245552 /nfs/dbraw/zinc/24/55/52/714245552.db2.gz FHGQSQHBSUNLAI-UHFFFAOYSA-N 1 1 351.422 3.318 20 5 FGBDMO O=[N+]([O-])c1ccc(NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000524947025 714312240 /nfs/dbraw/zinc/31/22/40/714312240.db2.gz KCJMHOVVVSBJES-SFHVURJKSA-N 1 1 361.829 3.297 20 5 FGBDMO O=[N+]([O-])c1ccc(Cl)cc1NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000804607482 724533586 /nfs/dbraw/zinc/53/35/86/724533586.db2.gz YZDVUKUGXIJQNM-INIZCTEOSA-N 1 1 361.829 3.427 20 5 FGBDMO CCC[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H]1CCCCO1 ZINC000730261025 722466483 /nfs/dbraw/zinc/46/64/83/722466483.db2.gz FCEJHUKQTNDXPC-CQSZACIVSA-N 1 1 369.849 3.468 20 5 FGBDMO CCC[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H]1CCCCO1 ZINC000730261025 722466484 /nfs/dbraw/zinc/46/64/84/722466484.db2.gz FCEJHUKQTNDXPC-CQSZACIVSA-N 1 1 369.849 3.468 20 5 FGBDMO COCC[N@H+]1CC[C@H](Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000730807470 722470903 /nfs/dbraw/zinc/47/09/03/722470903.db2.gz XQCOYWIRPZXPLG-VIFPVBQESA-N 1 1 367.755 3.400 20 5 FGBDMO CC[N@@H+](CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC(F)(F)F ZINC000755041421 722949623 /nfs/dbraw/zinc/94/96/23/722949623.db2.gz ONKRWQSZOOTNBO-UHFFFAOYSA-N 1 1 350.297 3.189 20 5 FGBDMO COc1ccc(C[N@H+](C)Cc2ccc(Br)c([N+](=O)[O-])c2)cn1 ZINC000757917293 722981241 /nfs/dbraw/zinc/98/12/41/722981241.db2.gz BFOQFDCGABQDNM-UHFFFAOYSA-N 1 1 366.215 3.393 20 5 FGBDMO COc1ccc(C[N@@H+](C)Cc2ccc(Br)c([N+](=O)[O-])c2)cn1 ZINC000757917293 722981242 /nfs/dbraw/zinc/98/12/42/722981242.db2.gz BFOQFDCGABQDNM-UHFFFAOYSA-N 1 1 366.215 3.393 20 5 FGBDMO COC(=O)c1cc([N+](=O)[O-])c(NC[C@@H]2CCCC[N@H+]2C2CC2)cc1Cl ZINC000764941837 723462054 /nfs/dbraw/zinc/46/20/54/723462054.db2.gz OWAXYLWQUGMFLB-LBPRGKRZSA-N 1 1 367.833 3.464 20 5 FGBDMO C[C@@H]1CC[N@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)[C@H]1C ZINC000795437601 723591267 /nfs/dbraw/zinc/59/12/67/723591267.db2.gz MAYAGESLAMKVBH-ZJUUUORDSA-N 1 1 368.231 3.001 20 5 FGBDMO C[C@@H]1CC[N@@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)[C@H]1C ZINC000795437601 723591268 /nfs/dbraw/zinc/59/12/68/723591268.db2.gz MAYAGESLAMKVBH-ZJUUUORDSA-N 1 1 368.231 3.001 20 5 FGBDMO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000768903000 723671789 /nfs/dbraw/zinc/67/17/89/723671789.db2.gz HWPMVMVSBRDEEB-LLVKDONJSA-N 1 1 365.231 3.460 20 5 FGBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000768903000 723671790 /nfs/dbraw/zinc/67/17/90/723671790.db2.gz HWPMVMVSBRDEEB-LLVKDONJSA-N 1 1 365.231 3.460 20 5 FGBDMO C[C@@]1(CNC(=O)c2csc([N+](=O)[O-])c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798525332 723940529 /nfs/dbraw/zinc/94/05/29/723940529.db2.gz RCRMAZCUQWBNCX-SFHVURJKSA-N 1 1 359.451 3.298 20 5 FGBDMO CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000798963764 723980872 /nfs/dbraw/zinc/98/08/72/723980872.db2.gz JMWZBNRJFNTRHV-QGZVFWFLSA-N 1 1 370.833 3.040 20 5 FGBDMO CCOC(=O)[C@]1(COC)CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000798963764 723980874 /nfs/dbraw/zinc/98/08/74/723980874.db2.gz JMWZBNRJFNTRHV-QGZVFWFLSA-N 1 1 370.833 3.040 20 5 FGBDMO O=[N+]([O-])c1cc(C[NH+]2CCC3(CCOC3)CC2)ccc1Br ZINC000801525977 724310463 /nfs/dbraw/zinc/31/04/63/724310463.db2.gz VGLJYKQGWJXEDB-UHFFFAOYSA-N 1 1 355.232 3.360 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000778287397 724318475 /nfs/dbraw/zinc/31/84/75/724318475.db2.gz KBRDYMWELGTFNQ-WFASDCNBSA-N 1 1 355.385 3.018 20 5 FGBDMO Cc1[nH+]ccn1C[C@H](C)OC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000810613901 725317839 /nfs/dbraw/zinc/31/78/39/725317839.db2.gz YNVHMTGVJILTKZ-VIFPVBQESA-N 1 1 357.288 3.364 20 5 FGBDMO O=C(O[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000810842674 725330480 /nfs/dbraw/zinc/33/04/80/725330480.db2.gz AYWQORAQYIAHAB-OCCSQVGLSA-N 1 1 369.215 3.141 20 5 FGBDMO NC(=O)Cc1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1 ZINC000811510131 725371182 /nfs/dbraw/zinc/37/11/82/725371182.db2.gz WHIIHXLXVBZEAZ-UHFFFAOYSA-N 1 1 368.220 3.219 20 5 FGBDMO Cc1cnn([C@H]2CC[N@H+](Cn3c4cc([N+](=O)[O-])ccc4oc3=S)C2)c1 ZINC000811799428 725380438 /nfs/dbraw/zinc/38/04/38/725380438.db2.gz WCYUUOPFGJDJSX-ZDUSSCGKSA-N 1 1 359.411 3.281 20 5 FGBDMO Cc1cnn([C@H]2CC[N@@H+](Cn3c4cc([N+](=O)[O-])ccc4oc3=S)C2)c1 ZINC000811799428 725380440 /nfs/dbraw/zinc/38/04/40/725380440.db2.gz WCYUUOPFGJDJSX-ZDUSSCGKSA-N 1 1 359.411 3.281 20 5 FGBDMO CN(C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CC2)C1 ZINC000812992370 726827876 /nfs/dbraw/zinc/82/78/76/726827876.db2.gz DFZYPWJFAQGZKT-LLVKDONJSA-N 1 1 358.225 3.210 20 5 FGBDMO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813014463 726830943 /nfs/dbraw/zinc/83/09/43/726830943.db2.gz IEUWEYNJDKXKCD-ZDUSSCGKSA-N 1 1 360.241 3.314 20 5 FGBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813014463 726830947 /nfs/dbraw/zinc/83/09/47/726830947.db2.gz IEUWEYNJDKXKCD-ZDUSSCGKSA-N 1 1 360.241 3.314 20 5 FGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)c1 ZINC000815207360 727052207 /nfs/dbraw/zinc/05/22/07/727052207.db2.gz CIJSPKWEIGZIEV-ZWKOTPCHSA-N 1 1 362.813 3.435 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000817038760 727215313 /nfs/dbraw/zinc/21/53/13/727215313.db2.gz GQISXYFRDWZZLE-GOSISDBHSA-N 1 1 351.422 3.159 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000822181788 729152583 /nfs/dbraw/zinc/15/25/83/729152583.db2.gz AAOPLNNMGPQTQG-OKILXGFUSA-N 1 1 351.422 3.222 20 5 FGBDMO CC1(C)C[C@H](O)CC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000825090976 729370356 /nfs/dbraw/zinc/37/03/56/729370356.db2.gz PRURRUQXKPOCKN-LLVKDONJSA-N 1 1 357.248 3.340 20 5 FGBDMO CC1(C)C[C@H](O)CC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000825090976 729370357 /nfs/dbraw/zinc/37/03/57/729370357.db2.gz PRURRUQXKPOCKN-LLVKDONJSA-N 1 1 357.248 3.340 20 5 FGBDMO Cc1cc(Cl)c(C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000825460694 729383980 /nfs/dbraw/zinc/38/39/80/729383980.db2.gz GDSWTSRITQFGBC-WCQYABFASA-N 1 1 353.850 3.407 20 5 FGBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000825504339 729385735 /nfs/dbraw/zinc/38/57/35/729385735.db2.gz YNHSCEYBIFYPNT-SNVBAGLBSA-N 1 1 350.806 3.128 20 5 FGBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000826569759 729409730 /nfs/dbraw/zinc/40/97/30/729409730.db2.gz TVYQYJMJFPZJET-CYBMUJFWSA-N 1 1 351.834 3.052 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000826982766 729420883 /nfs/dbraw/zinc/42/08/83/729420883.db2.gz QEMWVKMDWIONHT-MRXNPFEDSA-N 1 1 353.507 3.325 20 5 FGBDMO Cc1cc(Cl)c(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000830529517 729569323 /nfs/dbraw/zinc/56/93/23/729569323.db2.gz KLQIYYYXSGYHIV-ZDUSSCGKSA-N 1 1 351.834 3.303 20 5 FGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000832041598 729684510 /nfs/dbraw/zinc/68/45/10/729684510.db2.gz YVPYFYWWHAXLDL-CJNGLKHVSA-N 1 1 350.390 3.242 20 5 FGBDMO Cc1cc(Cl)c(C(=O)N2CC[N@H+](C3CC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000832949282 729736737 /nfs/dbraw/zinc/73/67/37/729736737.db2.gz GABZGCQZGCBVTQ-NSHDSACASA-N 1 1 351.834 3.113 20 5 FGBDMO Cc1noc(C[NH+]2CCC(COc3ccc(Cl)nc3)CC2)c1[N+](=O)[O-] ZINC000851994989 731529716 /nfs/dbraw/zinc/52/97/16/731529716.db2.gz UOYVJGWTXDEIIV-UHFFFAOYSA-N 1 1 366.805 3.231 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1Cl ZINC000855162718 731903503 /nfs/dbraw/zinc/90/35/03/731903503.db2.gz LZJZVIJDIXQKBL-LBPRGKRZSA-N 1 1 353.850 3.407 20 5 FGBDMO Cc1cc(Cl)c(C(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000856478764 732031807 /nfs/dbraw/zinc/03/18/07/732031807.db2.gz FTOVSBSAPIAXMJ-AWEZNQCLSA-N 1 1 365.861 3.408 20 5 FGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC2(CCOCC2)CC[C@H]1CO ZINC000859520764 732343094 /nfs/dbraw/zinc/34/30/94/732343094.db2.gz WJRAMFQVLHNDSU-HNNXBMFYSA-N 1 1 354.834 3.002 20 5 FGBDMO CCc1nn(C)c(OC)c1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872045986 735581192 /nfs/dbraw/zinc/58/11/92/735581192.db2.gz CPANDQJLVGWPLF-NSHDSACASA-N 1 1 364.471 3.472 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@@H+]2CCCSCC2)o1 ZINC000878314609 736805701 /nfs/dbraw/zinc/80/57/01/736805701.db2.gz XHDPFLMDDDMAGK-UHFFFAOYSA-N 1 1 354.819 3.237 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@H+]2CCCSCC2)o1 ZINC000878314609 736805702 /nfs/dbraw/zinc/80/57/02/736805702.db2.gz XHDPFLMDDDMAGK-UHFFFAOYSA-N 1 1 354.819 3.237 20 5 FGBDMO CO[C@H]1CC[C@@H](C)[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000879324695 736980610 /nfs/dbraw/zinc/98/06/10/736980610.db2.gz DXBJTMQJIDJFLT-PWSUYJOCSA-N 1 1 366.805 3.298 20 5 FGBDMO CO[C@H]1CC[C@@H](C)[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000879324695 736980611 /nfs/dbraw/zinc/98/06/11/736980611.db2.gz DXBJTMQJIDJFLT-PWSUYJOCSA-N 1 1 366.805 3.298 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@H](c3nccs3)C2)cccc1[N+](=O)[O-] ZINC000880319678 737154489 /nfs/dbraw/zinc/15/44/89/737154489.db2.gz ZMZSIYJKOWOOJH-ZDUSSCGKSA-N 1 1 360.439 3.178 20 5 FGBDMO CC[C@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])c1cnn(C)c1 ZINC000883294560 737547903 /nfs/dbraw/zinc/54/79/03/737547903.db2.gz BXMXYYQOPYDYRZ-ZDUSSCGKSA-N 1 1 353.220 3.332 20 5 FGBDMO COc1c(O)ccc(C[NH+]2CCC(OCCC(C)C)CC2)c1[N+](=O)[O-] ZINC000891724232 739931121 /nfs/dbraw/zinc/93/11/21/739931121.db2.gz AZPOMQDGIANREG-UHFFFAOYSA-N 1 1 352.431 3.336 20 5 FGBDMO COc1c(O)ccc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c1[N+](=O)[O-] ZINC000894295814 742264272 /nfs/dbraw/zinc/26/42/72/742264272.db2.gz SRNSIPYMBVQGQF-SMDDNHRTSA-N 1 1 361.225 3.325 20 5 FGBDMO COc1c(O)ccc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c1[N+](=O)[O-] ZINC000894295814 742264275 /nfs/dbraw/zinc/26/42/75/742264275.db2.gz SRNSIPYMBVQGQF-SMDDNHRTSA-N 1 1 361.225 3.325 20 5 FGBDMO CC(C)c1[nH+]ccn1CCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900681848 743149894 /nfs/dbraw/zinc/14/98/94/743149894.db2.gz WSPPEFLSEKUHSQ-UHFFFAOYSA-N 1 1 354.769 3.137 20 5 FGBDMO COc1cc([C@@H](C)[NH2+]Cc2cc(C(F)(F)F)nn2C)cc([N+](=O)[O-])c1 ZINC000903224152 743825042 /nfs/dbraw/zinc/82/50/42/743825042.db2.gz QSJNOXSRRBJAJU-SECBINFHSA-N 1 1 358.320 3.207 20 5 FGBDMO C[C@H]1C[C@H](N(C)C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C ZINC000906794644 744160281 /nfs/dbraw/zinc/16/02/81/744160281.db2.gz VLGUHMCFPJGGFV-GXTWGEPZSA-N 1 1 353.850 3.122 20 5 FGBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000919899114 758486258 /nfs/dbraw/zinc/48/62/58/758486258.db2.gz GDPZEZHBIHACHX-NEPJUHHUSA-N 1 1 354.838 3.490 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000926926483 759850248 /nfs/dbraw/zinc/85/02/48/759850248.db2.gz KPMPSQXEGQVFBH-VIFPVBQESA-N 1 1 358.320 3.207 20 5 FGBDMO CC1(C)Oc2ccsc2[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)[C@H]1O ZINC000930548254 760638936 /nfs/dbraw/zinc/63/89/36/760638936.db2.gz ZIFATJWHOGTFHW-DZGCQCFKSA-N 1 1 352.387 3.158 20 5 FGBDMO O=C(C[NH2+][C@H](c1ccccn1)C1CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000932376089 761152794 /nfs/dbraw/zinc/15/27/94/761152794.db2.gz GPFOVVMHGVSBSK-KRWDZBQOSA-N 1 1 360.801 3.323 20 5 FGBDMO Cc1[nH+]ccn1CCCCNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000933452153 761393998 /nfs/dbraw/zinc/39/39/98/761393998.db2.gz BEVYLNYABHQRQR-UHFFFAOYSA-N 1 1 364.833 3.282 20 5 FGBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000109485034 209306933 /nfs/dbraw/zinc/30/69/33/209306933.db2.gz UQWPBMMZAKKRRF-UHFFFAOYSA-N 1 1 371.462 3.325 20 5 FGBDMO Cc1c(NC(=O)N2CC[NH+](CCc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000043347518 208306130 /nfs/dbraw/zinc/30/61/30/208306130.db2.gz OBTJZSBMFLVOQJ-UHFFFAOYSA-N 1 1 368.437 3.295 20 5 FGBDMO Cc1cc(NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302144086 257385552 /nfs/dbraw/zinc/38/55/52/257385552.db2.gz GFTMZAUPNKHFPH-HXUWFJFHSA-N 1 1 371.485 3.135 20 5 FGBDMO Cc1c(Br)c(N2CCC3(CCC[N@@H+]3C)CC2)ncc1[N+](=O)[O-] ZINC000543438395 503771484 /nfs/dbraw/zinc/77/14/84/503771484.db2.gz MPDRSSBWELKSGE-UHFFFAOYSA-N 1 1 369.263 3.125 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](Cc1ccccc1)C[C@@]1(O)CCO[C@H]1C ZINC000573590354 505573594 /nfs/dbraw/zinc/57/35/94/505573594.db2.gz MEZUIDWCWOVPMI-UWJYYQICSA-N 1 1 370.449 3.445 20 5 FGBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000573844671 505633884 /nfs/dbraw/zinc/63/38/84/505633884.db2.gz BOIDBNHHWHTXOO-SUMWQHHRSA-N 1 1 360.483 3.490 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000029536835 493843340 /nfs/dbraw/zinc/84/33/40/493843340.db2.gz LXNWBJDZOANSAH-IBGZPJMESA-N 1 1 369.421 3.305 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000029536835 493843343 /nfs/dbraw/zinc/84/33/43/493843343.db2.gz LXNWBJDZOANSAH-IBGZPJMESA-N 1 1 369.421 3.305 20 5 FGBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])C1 ZINC000081362070 493878492 /nfs/dbraw/zinc/87/84/92/493878492.db2.gz BDKXQKUSOBBFHF-CYBMUJFWSA-N 1 1 351.472 3.121 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000076387624 493880951 /nfs/dbraw/zinc/88/09/51/493880951.db2.gz OURNPMOZQWMSIP-MRXNPFEDSA-N 1 1 353.422 3.331 20 5 FGBDMO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccc(Cl)cc1 ZINC000031006575 493918028 /nfs/dbraw/zinc/91/80/28/493918028.db2.gz AKXDWPNVYBKQMF-UHFFFAOYSA-N 1 1 359.813 3.269 20 5 FGBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccc(Cl)cc1 ZINC000031006575 493918030 /nfs/dbraw/zinc/91/80/30/493918030.db2.gz AKXDWPNVYBKQMF-UHFFFAOYSA-N 1 1 359.813 3.269 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@H](Nc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000060369964 493927736 /nfs/dbraw/zinc/92/77/36/493927736.db2.gz AEDPTIQFPGTHJY-KRWDZBQOSA-N 1 1 368.437 3.418 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000060369958 493928128 /nfs/dbraw/zinc/92/81/28/493928128.db2.gz XDVHJPLCPTZKER-KRWDZBQOSA-N 1 1 368.437 3.418 20 5 FGBDMO Cc1ccccc1[C@H]1CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000051449396 493970604 /nfs/dbraw/zinc/97/06/04/493970604.db2.gz GQUBLHRNGYBQQI-FXAWDEMLSA-N 1 1 356.422 3.480 20 5 FGBDMO CCN(CC)C(=O)C1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCCCC1 ZINC000083198287 494006276 /nfs/dbraw/zinc/00/62/76/494006276.db2.gz XKMBVQOEXILOMC-UHFFFAOYSA-N 1 1 374.441 3.397 20 5 FGBDMO CC(C)CCO[C@@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000083247916 494014136 /nfs/dbraw/zinc/01/41/36/494014136.db2.gz NWSCEZDBHKAIHO-MRXNPFEDSA-N 1 1 360.414 3.282 20 5 FGBDMO CC(C)CCO[C@@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000083247916 494014140 /nfs/dbraw/zinc/01/41/40/494014140.db2.gz NWSCEZDBHKAIHO-MRXNPFEDSA-N 1 1 360.414 3.282 20 5 FGBDMO C[C@H]1CN(Cc2ccccc2C[NH2+]Cc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000069833329 494021097 /nfs/dbraw/zinc/02/10/97/494021097.db2.gz SZWPOYKJMDZFKX-IRXDYDNUSA-N 1 1 369.465 3.494 20 5 FGBDMO CSc1ccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000574127079 505699069 /nfs/dbraw/zinc/69/90/69/505699069.db2.gz KDXUJZOESPTNMR-NSHDSACASA-N 1 1 350.469 3.460 20 5 FGBDMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000077494855 494095749 /nfs/dbraw/zinc/09/57/49/494095749.db2.gz NNWDCSZDKKFQSL-OAHLLOKOSA-N 1 1 357.385 3.128 20 5 FGBDMO Cc1ccccc1CCNC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350245 494115965 /nfs/dbraw/zinc/11/59/65/494115965.db2.gz UKGHURDSOJBWCD-UHFFFAOYSA-N 1 1 369.465 3.473 20 5 FGBDMO Cc1ccccc1CCNC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350245 494115971 /nfs/dbraw/zinc/11/59/71/494115971.db2.gz UKGHURDSOJBWCD-UHFFFAOYSA-N 1 1 369.465 3.473 20 5 FGBDMO Cc1ccccc1CNC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350229 494116710 /nfs/dbraw/zinc/11/67/10/494116710.db2.gz JRYKBTTWBUQNHG-UHFFFAOYSA-N 1 1 355.438 3.430 20 5 FGBDMO Cc1ccccc1CNC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350229 494116715 /nfs/dbraw/zinc/11/67/15/494116715.db2.gz JRYKBTTWBUQNHG-UHFFFAOYSA-N 1 1 355.438 3.430 20 5 FGBDMO COc1ccc(NC(=O)CC[N@@H+](C)Cc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000041888274 494185621 /nfs/dbraw/zinc/18/56/21/494185621.db2.gz KWQSKYAFPOTRLA-UHFFFAOYSA-N 1 1 361.373 3.203 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000596438956 506404145 /nfs/dbraw/zinc/40/41/45/506404145.db2.gz AUGZAKFWWMFUGI-LLVKDONJSA-N 1 1 354.838 3.490 20 5 FGBDMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000054205546 494206471 /nfs/dbraw/zinc/20/64/71/494206471.db2.gz UTOXISGOWFRMCE-KRWDZBQOSA-N 1 1 368.437 3.457 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])s3)C2)cc(OC)c1 ZINC000088751357 494257873 /nfs/dbraw/zinc/25/78/73/494257873.db2.gz HETVOPNTGCLQRE-CYBMUJFWSA-N 1 1 363.439 3.360 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000593118679 506404716 /nfs/dbraw/zinc/40/47/16/506404716.db2.gz XNPYHHUNTYIEJR-CQSZACIVSA-N 1 1 364.295 3.436 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000593118679 506404722 /nfs/dbraw/zinc/40/47/22/506404722.db2.gz XNPYHHUNTYIEJR-CQSZACIVSA-N 1 1 364.295 3.436 20 5 FGBDMO COc1ccc(F)cc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000055152563 494307464 /nfs/dbraw/zinc/30/74/64/494307464.db2.gz OCCBELRIWSYTKY-VXGBXAGGSA-N 1 1 361.373 3.420 20 5 FGBDMO CCN1C[C@H](C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)Oc2ccccc21 ZINC000016423373 494389631 /nfs/dbraw/zinc/38/96/31/494389631.db2.gz PDBFCZFRGRSBKO-KRWDZBQOSA-N 1 1 371.437 3.323 20 5 FGBDMO CCN1C[C@H](C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)Oc2ccccc21 ZINC000016423373 494389635 /nfs/dbraw/zinc/38/96/35/494389635.db2.gz PDBFCZFRGRSBKO-KRWDZBQOSA-N 1 1 371.437 3.323 20 5 FGBDMO COc1ccc(C[N@@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000089952206 494411563 /nfs/dbraw/zinc/41/15/63/494411563.db2.gz XLNWYPNNKYDUHP-HUUCEWRRSA-N 1 1 352.456 3.090 20 5 FGBDMO COc1cc(C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C2CC2)ccc1O ZINC000089974634 494418750 /nfs/dbraw/zinc/41/87/50/494418750.db2.gz YMRPCXZBXYJLKH-UHFFFAOYSA-N 1 1 358.394 3.352 20 5 FGBDMO Cc1ccc(NCCCNC(=O)CCn2cc[nH+]c2C(C)C)c([N+](=O)[O-])c1 ZINC000073907706 494446758 /nfs/dbraw/zinc/44/67/58/494446758.db2.gz OZUXIBBAMWBGHW-UHFFFAOYSA-N 1 1 373.457 3.232 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000067024679 494457188 /nfs/dbraw/zinc/45/71/88/494457188.db2.gz XZUYSXJCEIPZRG-KRWDZBQOSA-N 1 1 357.410 3.453 20 5 FGBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000056168300 494464855 /nfs/dbraw/zinc/46/48/55/494464855.db2.gz ZOVUBXVYRDMGOF-QAPCUYQASA-N 1 1 353.422 3.089 20 5 FGBDMO C[C@@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000079556641 494480628 /nfs/dbraw/zinc/48/06/28/494480628.db2.gz CNOLDLPMMXXUPE-QAPCUYQASA-N 1 1 353.422 3.378 20 5 FGBDMO CC[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000090686374 494493731 /nfs/dbraw/zinc/49/37/31/494493731.db2.gz AFJFSJVEHWGQEH-RYQLBKOJSA-N 1 1 360.458 3.172 20 5 FGBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079670123 494504465 /nfs/dbraw/zinc/50/44/65/494504465.db2.gz CPSCHFHGYJUPGN-GOSISDBHSA-N 1 1 368.437 3.059 20 5 FGBDMO O=C(C[N@H+]1CCC[C@H]1[C@H]1CCCOC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000571400810 505725056 /nfs/dbraw/zinc/72/50/56/505725056.db2.gz YXZIHQCPZMQTHY-WFASDCNBSA-N 1 1 367.833 3.078 20 5 FGBDMO C[C@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000079709757 494512380 /nfs/dbraw/zinc/51/23/80/494512380.db2.gz YOQULUGMWGFSIO-LPHOPBHVSA-N 1 1 367.449 3.307 20 5 FGBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000079807508 494528618 /nfs/dbraw/zinc/52/86/18/494528618.db2.gz CLWJLABGUNEGKQ-LLVKDONJSA-N 1 1 359.348 3.075 20 5 FGBDMO CN(C(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000074808334 494606823 /nfs/dbraw/zinc/60/68/23/494606823.db2.gz PEFAVORSAKSZTQ-KRWDZBQOSA-N 1 1 353.422 3.331 20 5 FGBDMO O=[N+]([O-])c1c(NCCc2[nH+]ccn2Cc2ccccc2)nc2sccn21 ZINC000024203591 494612396 /nfs/dbraw/zinc/61/23/96/494612396.db2.gz PVSBKVREBQRIHN-UHFFFAOYSA-N 1 1 368.422 3.203 20 5 FGBDMO C[C@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000057175745 494667707 /nfs/dbraw/zinc/66/77/07/494667707.db2.gz GETIMGUWLAQWCJ-HNAYVOBHSA-N 1 1 353.422 3.437 20 5 FGBDMO C[C@@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000057175746 494667896 /nfs/dbraw/zinc/66/78/96/494667896.db2.gz GETIMGUWLAQWCJ-DNVCBOLYSA-N 1 1 353.422 3.437 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000131654427 494687821 /nfs/dbraw/zinc/68/78/21/494687821.db2.gz PDNZOATVBUODRI-UHFFFAOYSA-N 1 1 363.433 3.462 20 5 FGBDMO O=C(C[N@H+](Cc1ccccc1)C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000025222188 494710118 /nfs/dbraw/zinc/71/01/18/494710118.db2.gz MHRHLBRTEVTNRC-UHFFFAOYSA-N 1 1 351.406 3.149 20 5 FGBDMO O=C(C[N@@H+](Cc1ccccc1)C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000025222188 494710125 /nfs/dbraw/zinc/71/01/25/494710125.db2.gz MHRHLBRTEVTNRC-UHFFFAOYSA-N 1 1 351.406 3.149 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCc2cc(F)ccc2C1 ZINC000091897931 494719095 /nfs/dbraw/zinc/71/90/95/494719095.db2.gz RKWZBVPQHYRMSF-UHFFFAOYSA-N 1 1 373.384 3.129 20 5 FGBDMO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116274630 494750372 /nfs/dbraw/zinc/75/03/72/494750372.db2.gz GNEICWMZYNZMSL-CQSZACIVSA-N 1 1 353.850 3.377 20 5 FGBDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116274630 494750380 /nfs/dbraw/zinc/75/03/80/494750380.db2.gz GNEICWMZYNZMSL-CQSZACIVSA-N 1 1 353.850 3.377 20 5 FGBDMO COc1ccc(NC(=O)[C@H](C)[NH+]2CCc3ccccc3CC2)c([N+](=O)[O-])c1 ZINC000116302070 494758511 /nfs/dbraw/zinc/75/85/11/494758511.db2.gz IRGUHIUGJMISNQ-AWEZNQCLSA-N 1 1 369.421 3.031 20 5 FGBDMO COc1cc(C[N@@H+](C)[C@@H](C)[C@H]2Cc3ccccc3O2)c([N+](=O)[O-])cc1OC ZINC000092063779 494772884 /nfs/dbraw/zinc/77/28/84/494772884.db2.gz XVEGPLFATIYYDU-SCLBCKFNSA-N 1 1 372.421 3.436 20 5 FGBDMO COc1ccc(C)cc1C[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000025752329 494775536 /nfs/dbraw/zinc/77/55/36/494775536.db2.gz JODMBMADFHXNJP-UHFFFAOYSA-N 1 1 355.438 3.230 20 5 FGBDMO Cn1cc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092071426 494778226 /nfs/dbraw/zinc/77/82/26/494778226.db2.gz ZRCPRZKWDRTKLQ-HNNXBMFYSA-N 1 1 366.425 3.098 20 5 FGBDMO O=C1[C@@H]([N@@H+]2CCC[C@H](c3nccs3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000109131589 494836728 /nfs/dbraw/zinc/83/67/28/494836728.db2.gz CHZFNEWJFUYMMI-BBRMVZONSA-N 1 1 372.450 3.036 20 5 FGBDMO O=C1[C@@H]([N@H+]2CCC[C@H](c3nccs3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000109131589 494836734 /nfs/dbraw/zinc/83/67/34/494836734.db2.gz CHZFNEWJFUYMMI-BBRMVZONSA-N 1 1 372.450 3.036 20 5 FGBDMO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000121781953 494858950 /nfs/dbraw/zinc/85/89/50/494858950.db2.gz GSNUSAZHTHUDHS-MRXNPFEDSA-N 1 1 372.469 3.286 20 5 FGBDMO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1Cl ZINC000027346742 494862708 /nfs/dbraw/zinc/86/27/08/494862708.db2.gz FNPDFGLEWSNRDD-LBPRGKRZSA-N 1 1 353.831 3.342 20 5 FGBDMO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])s1 ZINC000027604823 494877022 /nfs/dbraw/zinc/87/70/22/494877022.db2.gz MGDGRXUFWNWPIT-NSHDSACASA-N 1 1 351.453 3.285 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3c[nH]nc3-c3cccs3)C2)nc1 ZINC000093534354 494898571 /nfs/dbraw/zinc/89/85/71/494898571.db2.gz UUJWJZUNIZFJNE-CYBMUJFWSA-N 1 1 370.438 3.128 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](C)c1cccc(O)c1 ZINC000109783135 494918297 /nfs/dbraw/zinc/91/82/97/494918297.db2.gz SWCOEOCLPQZMHW-CYBMUJFWSA-N 1 1 373.409 3.331 20 5 FGBDMO CCNC(=O)C[NH2+]Cc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000122070987 494918768 /nfs/dbraw/zinc/91/87/68/494918768.db2.gz YLGVOKGMKYVWHW-UHFFFAOYSA-N 1 1 359.451 3.280 20 5 FGBDMO C[C@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000110205182 494957625 /nfs/dbraw/zinc/95/76/25/494957625.db2.gz QUUCUHTWNWIYBO-CYBMUJFWSA-N 1 1 373.840 3.425 20 5 FGBDMO C[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000110966935 495026285 /nfs/dbraw/zinc/02/62/85/495026285.db2.gz AETPXKBYHMNHFC-ZDUSSCGKSA-N 1 1 361.829 3.499 20 5 FGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000133643225 495040737 /nfs/dbraw/zinc/04/07/37/495040737.db2.gz QKPRDQCJNXIBIU-KGLIPLIRSA-N 1 1 371.359 3.312 20 5 FGBDMO Cc1cc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])nc(N2CCCC2)n1 ZINC000580449221 505762608 /nfs/dbraw/zinc/76/26/08/505762608.db2.gz JQIJVKTVDURZRH-QGZVFWFLSA-N 1 1 353.426 3.071 20 5 FGBDMO COc1ccc(OC)c([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000102695766 495154538 /nfs/dbraw/zinc/15/45/38/495154538.db2.gz KJXKBNNAIQMMMI-ZDUSSCGKSA-N 1 1 373.409 3.210 20 5 FGBDMO O=C1CCCCN1CC1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000119443169 495168874 /nfs/dbraw/zinc/16/88/74/495168874.db2.gz MVSFWOBBGBIYGJ-UHFFFAOYSA-N 1 1 365.861 3.473 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000123748191 495180624 /nfs/dbraw/zinc/18/06/24/495180624.db2.gz ZIBLZHDIHBKHMZ-CYBMUJFWSA-N 1 1 351.472 3.121 20 5 FGBDMO C[N@@H+]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)c2ccccc2C1 ZINC000103411938 495229524 /nfs/dbraw/zinc/22/95/24/495229524.db2.gz LHSHSLCPTDKULD-UHFFFAOYSA-N 1 1 357.435 3.166 20 5 FGBDMO C[N@H+]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)c2ccccc2C1 ZINC000103411938 495229528 /nfs/dbraw/zinc/22/95/28/495229528.db2.gz LHSHSLCPTDKULD-UHFFFAOYSA-N 1 1 357.435 3.166 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000119887684 495263348 /nfs/dbraw/zinc/26/33/48/495263348.db2.gz OVVHWWBJAPXSRU-ACJLOTCBSA-N 1 1 373.840 3.499 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@@H](O)COCc1ccccc1F)C1CC1 ZINC000135225849 495265528 /nfs/dbraw/zinc/26/55/28/495265528.db2.gz SFXZRYFTJXHHCM-GOSISDBHSA-N 1 1 374.412 3.276 20 5 FGBDMO Cn1cc(Cl)cc1C[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000119995624 495285297 /nfs/dbraw/zinc/28/52/97/495285297.db2.gz YNEBZNLKMIFWSM-UHFFFAOYSA-N 1 1 350.806 3.047 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000129750995 495290617 /nfs/dbraw/zinc/29/06/17/495290617.db2.gz MBDRFMGYEJVJKI-KSSFIOAISA-N 1 1 353.422 3.319 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(N(CCC[NH+]2CCOCC2)Cc2ccncc2)c1 ZINC000135452393 495294057 /nfs/dbraw/zinc/29/40/57/495294057.db2.gz RELXEFAZMOYIAP-UHFFFAOYSA-N 1 1 370.453 3.027 20 5 FGBDMO Cc1[nH+]ccn1CCCCNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000129777398 495294491 /nfs/dbraw/zinc/29/44/91/495294491.db2.gz ABVPNNYGRKVSGI-ZDUSSCGKSA-N 1 1 362.455 3.177 20 5 FGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](CCC(N)=O)Cc1ccccc1 ZINC000104663859 495295404 /nfs/dbraw/zinc/29/54/04/495295404.db2.gz FKKFQKNFZCJQAH-UHFFFAOYSA-N 1 1 371.437 3.260 20 5 FGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](CCC(N)=O)Cc1ccccc1 ZINC000104663859 495295408 /nfs/dbraw/zinc/29/54/08/495295408.db2.gz FKKFQKNFZCJQAH-UHFFFAOYSA-N 1 1 371.437 3.260 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@H](c4cc[nH]n4)C3)o2)c1 ZINC000104675398 495296693 /nfs/dbraw/zinc/29/66/93/495296693.db2.gz KWAARSVOWYCCQM-HNNXBMFYSA-N 1 1 367.409 3.395 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@H](c4ccn[nH]4)C3)o2)c1 ZINC000104675398 495296699 /nfs/dbraw/zinc/29/66/99/495296699.db2.gz KWAARSVOWYCCQM-HNNXBMFYSA-N 1 1 367.409 3.395 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@H](c4ccn[nH]4)C3)o2)c1 ZINC000104675398 495296703 /nfs/dbraw/zinc/29/67/03/495296703.db2.gz KWAARSVOWYCCQM-HNNXBMFYSA-N 1 1 367.409 3.395 20 5 FGBDMO COc1ccccc1CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000104711034 495299555 /nfs/dbraw/zinc/29/95/55/495299555.db2.gz DKGFBHAHZJLEDF-CQSZACIVSA-N 1 1 357.410 3.105 20 5 FGBDMO Cc1c(NC(=O)CC[N@@H+](Cc2cccnc2)C2CC2)cccc1[N+](=O)[O-] ZINC000124718995 495332776 /nfs/dbraw/zinc/33/27/76/495332776.db2.gz OIRLGKYVYRVQPH-UHFFFAOYSA-N 1 1 354.410 3.291 20 5 FGBDMO C[N@H+]1CCC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccs1 ZINC000130109172 495343066 /nfs/dbraw/zinc/34/30/66/495343066.db2.gz HWWXVSIMPCNHKK-HNAYVOBHSA-N 1 1 373.478 3.398 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@H]1CCc2ccccc2C1 ZINC000114490301 495384360 /nfs/dbraw/zinc/38/43/60/495384360.db2.gz KTWDHUFQGXEFAE-KRWDZBQOSA-N 1 1 353.422 3.331 20 5 FGBDMO CC(C)Oc1cccc(C[N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000120654594 495427908 /nfs/dbraw/zinc/42/79/08/495427908.db2.gz MBQSLQIYAHYJBB-GOSISDBHSA-N 1 1 374.437 3.254 20 5 FGBDMO CCO[C@H]1C[C@@H]([N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1(C)C ZINC000120661678 495429527 /nfs/dbraw/zinc/42/95/27/495429527.db2.gz SCRKSYQBAQZGEJ-CABCVRRESA-N 1 1 360.414 3.280 20 5 FGBDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1(C)C ZINC000120661678 495429530 /nfs/dbraw/zinc/42/95/30/495429530.db2.gz SCRKSYQBAQZGEJ-CABCVRRESA-N 1 1 360.414 3.280 20 5 FGBDMO C[C@H](CN1CCN(C)CC1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000106486669 495458785 /nfs/dbraw/zinc/45/87/85/495458785.db2.gz OXGINQXKKCGFMK-OAHLLOKOSA-N 1 1 374.510 3.049 20 5 FGBDMO Cn1cc(CN[C@H]2CC[N@H+](C3CCCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000106474780 495458837 /nfs/dbraw/zinc/45/88/37/495458837.db2.gz KVZMBPIVJVSHIV-KRWDZBQOSA-N 1 1 369.469 3.102 20 5 FGBDMO Cn1cc(C[NH2+][C@H]2CCN(C3CCCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000106474780 495458838 /nfs/dbraw/zinc/45/88/38/495458838.db2.gz KVZMBPIVJVSHIV-KRWDZBQOSA-N 1 1 369.469 3.102 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]1c1ccncc1 ZINC000125577862 495465409 /nfs/dbraw/zinc/46/54/09/495465409.db2.gz UNQMPXPHPVOPGR-SFHVURJKSA-N 1 1 354.410 3.464 20 5 FGBDMO C[N@@H+]1CC[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000130921979 495466578 /nfs/dbraw/zinc/46/65/78/495466578.db2.gz ANDIGGLQTLLDOC-LPHOPBHVSA-N 1 1 373.840 3.352 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000130921979 495466579 /nfs/dbraw/zinc/46/65/79/495466579.db2.gz ANDIGGLQTLLDOC-LPHOPBHVSA-N 1 1 373.840 3.352 20 5 FGBDMO CCO[C@@H]1C[C@H]([N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C12CCC2 ZINC000120864740 495473986 /nfs/dbraw/zinc/47/39/86/495473986.db2.gz XSLUCOMHDGYGKZ-JKSUJKDBSA-N 1 1 372.425 3.424 20 5 FGBDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C12CCC2 ZINC000120864740 495473991 /nfs/dbraw/zinc/47/39/91/495473991.db2.gz XSLUCOMHDGYGKZ-JKSUJKDBSA-N 1 1 372.425 3.424 20 5 FGBDMO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000140190253 495491148 /nfs/dbraw/zinc/49/11/48/495491148.db2.gz JNWDDKHGYSIKCV-HNNXBMFYSA-N 1 1 373.478 3.227 20 5 FGBDMO C[N@H+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C2(CCCCC2)C1 ZINC000176245932 495561948 /nfs/dbraw/zinc/56/19/48/495561948.db2.gz RUMCWKDLFKZNBB-UHFFFAOYSA-N 1 1 356.426 3.167 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C[C@H](C)O)C1CCCCC1 ZINC000170691636 495568277 /nfs/dbraw/zinc/56/82/77/495568277.db2.gz GTTRFXDCOFBYLO-HNNXBMFYSA-N 1 1 363.458 3.247 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000179447562 495594693 /nfs/dbraw/zinc/59/46/93/495594693.db2.gz QLHJWFUPSWOULK-HNNXBMFYSA-N 1 1 372.469 3.103 20 5 FGBDMO Cc1cc(C(=O)NC2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)c(C)o1 ZINC000170775662 495600707 /nfs/dbraw/zinc/60/07/07/495600707.db2.gz JIUKOPURJZJUDO-UHFFFAOYSA-N 1 1 357.410 3.199 20 5 FGBDMO C[C@H](CCNC(=O)Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccccc1 ZINC000173598328 495606411 /nfs/dbraw/zinc/60/64/11/495606411.db2.gz DZKCOOPPGQXFEF-MRXNPFEDSA-N 1 1 355.438 3.164 20 5 FGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCOCc1ccccc1 ZINC000154521938 495642345 /nfs/dbraw/zinc/64/23/45/495642345.db2.gz FZQMDXMHBOUUTG-HNNXBMFYSA-N 1 1 357.410 3.070 20 5 FGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCOCc1ccccc1 ZINC000154521938 495642351 /nfs/dbraw/zinc/64/23/51/495642351.db2.gz FZQMDXMHBOUUTG-HNNXBMFYSA-N 1 1 357.410 3.070 20 5 FGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)c1 ZINC000154667255 495689022 /nfs/dbraw/zinc/68/90/22/495689022.db2.gz GCQVTGXBHIRJNE-YZGWKJHDSA-N 1 1 374.412 3.355 20 5 FGBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CCc1nccs1 ZINC000159256498 495695401 /nfs/dbraw/zinc/69/54/01/495695401.db2.gz OMZJJMPEQIERKU-UHFFFAOYSA-N 1 1 362.455 3.253 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000182769412 495696856 /nfs/dbraw/zinc/69/68/56/495696856.db2.gz GITIRCITMMMAPZ-PKOBYXMFSA-N 1 1 360.502 3.066 20 5 FGBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000159445557 495735357 /nfs/dbraw/zinc/73/53/57/495735357.db2.gz CHKDJHULDOZKPS-QLFBSQMISA-N 1 1 372.469 3.101 20 5 FGBDMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000159506355 495747479 /nfs/dbraw/zinc/74/74/79/495747479.db2.gz XGMJNIOUANRRKZ-INIZCTEOSA-N 1 1 361.373 3.284 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000154963965 495786749 /nfs/dbraw/zinc/78/67/49/495786749.db2.gz CWUGOXQADKGHCD-AWEZNQCLSA-N 1 1 351.472 3.311 20 5 FGBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000186015549 495821139 /nfs/dbraw/zinc/82/11/39/495821139.db2.gz PTXXFCOCVPOIBL-CYBMUJFWSA-N 1 1 368.865 3.168 20 5 FGBDMO C[S@@](=O)C[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000183106175 495836337 /nfs/dbraw/zinc/83/63/37/495836337.db2.gz SLMUPZGUBSNVDT-NPMXOYFQSA-N 1 1 352.843 3.458 20 5 FGBDMO Cc1ccc(N2CCC(NC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)[nH+]c1 ZINC000174191016 495856967 /nfs/dbraw/zinc/85/69/67/495856967.db2.gz NXVXISPMQUFVHZ-UHFFFAOYSA-N 1 1 369.425 3.397 20 5 FGBDMO O=[N+]([O-])c1ccc(CSCC[NH+]2CCOCC2)c(C(F)(F)F)c1 ZINC000160003976 495860517 /nfs/dbraw/zinc/86/05/17/495860517.db2.gz JVIHBPHBOGOQGC-UHFFFAOYSA-N 1 1 350.362 3.179 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccccc1 ZINC000180140637 495876838 /nfs/dbraw/zinc/87/68/38/495876838.db2.gz DRGQCPNOGVJVNS-IRXDYDNUSA-N 1 1 359.813 3.423 20 5 FGBDMO CCN(C(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186295435 495932578 /nfs/dbraw/zinc/93/25/78/495932578.db2.gz IKVJHUUCUGEFBH-IBGZPJMESA-N 1 1 353.422 3.331 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCc2ccccc2C1 ZINC000171592822 495941145 /nfs/dbraw/zinc/94/11/45/495941145.db2.gz MPGXAYYDDCPVIA-UHFFFAOYSA-N 1 1 369.421 3.380 20 5 FGBDMO CCN1CC[NH+](CCCNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000160747997 496034377 /nfs/dbraw/zinc/03/43/77/496034377.db2.gz VVAWTRQUNNGQMJ-UHFFFAOYSA-N 1 1 360.380 3.053 20 5 FGBDMO C[C@@H](C[N@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1nccs1 ZINC000183958194 496176563 /nfs/dbraw/zinc/17/65/63/496176563.db2.gz MSNDWUMSQYUQBU-JTQLQIEISA-N 1 1 368.846 3.379 20 5 FGBDMO C[C@@H](C[N@@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1nccs1 ZINC000183958194 496176569 /nfs/dbraw/zinc/17/65/69/496176569.db2.gz MSNDWUMSQYUQBU-JTQLQIEISA-N 1 1 368.846 3.379 20 5 FGBDMO C[C@H](c1cccnc1)[NH+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000172151603 496186525 /nfs/dbraw/zinc/18/65/25/496186525.db2.gz LRBNWOFXSIARSG-OAHLLOKOSA-N 1 1 363.421 3.421 20 5 FGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](CC2=CCCOC2)CC1 ZINC000161562579 496198699 /nfs/dbraw/zinc/19/86/99/496198699.db2.gz NQDZFSAEGOFUCP-UHFFFAOYSA-N 1 1 371.359 3.082 20 5 FGBDMO Cc1c(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000156550107 496276614 /nfs/dbraw/zinc/27/66/14/496276614.db2.gz RPQLYPIKBVHDQW-RDTXWAMCSA-N 1 1 358.442 3.384 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000172842874 496458007 /nfs/dbraw/zinc/45/80/07/496458007.db2.gz LZLOFHMISQOWME-CYBMUJFWSA-N 1 1 351.472 3.263 20 5 FGBDMO C[C@@H](c1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1)[NH+]1CCOCC1 ZINC000172983948 496509671 /nfs/dbraw/zinc/50/96/71/496509671.db2.gz SKKMSNRFOBSVMD-HNNXBMFYSA-N 1 1 369.421 3.169 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)cnc1NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000153600130 496513808 /nfs/dbraw/zinc/51/38/08/496513808.db2.gz DHIJBMNBGWPDGV-UHFFFAOYSA-N 1 1 362.817 3.088 20 5 FGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(C2CCOCC2)CC1 ZINC000153702944 496551736 /nfs/dbraw/zinc/55/17/36/496551736.db2.gz KWLOTMXKLKVSRW-AWEZNQCLSA-N 1 1 361.442 3.060 20 5 FGBDMO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000153709443 496552641 /nfs/dbraw/zinc/55/26/41/496552641.db2.gz IZRVBIRHQHADKN-AWEZNQCLSA-N 1 1 353.850 3.377 20 5 FGBDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000153709443 496552650 /nfs/dbraw/zinc/55/26/50/496552650.db2.gz IZRVBIRHQHADKN-AWEZNQCLSA-N 1 1 353.850 3.377 20 5 FGBDMO C[C@H](C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185012777 496621628 /nfs/dbraw/zinc/62/16/28/496621628.db2.gz AWCXRGNMTDYRPN-ZNMIVQPWSA-N 1 1 365.449 3.322 20 5 FGBDMO CCO[C@@H]1C[C@@H]([N@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C12CCC2 ZINC000154001741 496650463 /nfs/dbraw/zinc/65/04/63/496650463.db2.gz PTKKICXXYLROPO-HZPDHXFCSA-N 1 1 361.442 3.121 20 5 FGBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C12CCC2 ZINC000154001741 496650466 /nfs/dbraw/zinc/65/04/66/496650466.db2.gz PTKKICXXYLROPO-HZPDHXFCSA-N 1 1 361.442 3.121 20 5 FGBDMO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000173341063 496650520 /nfs/dbraw/zinc/65/05/20/496650520.db2.gz AKWZPZGWXKMELW-INIZCTEOSA-N 1 1 373.478 3.227 20 5 FGBDMO CN(C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000158408969 496695665 /nfs/dbraw/zinc/69/56/65/496695665.db2.gz CSNWHOUJWCJABW-KRWDZBQOSA-N 1 1 353.422 3.470 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000182200957 496705488 /nfs/dbraw/zinc/70/54/88/496705488.db2.gz WXPWVQRBECMUAO-MSOLQXFVSA-N 1 1 356.422 3.042 20 5 FGBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2Cc2ccccc2)cc1 ZINC000182200869 496705558 /nfs/dbraw/zinc/70/55/58/496705558.db2.gz BWANGSGWECQIAM-SFHVURJKSA-N 1 1 374.462 3.076 20 5 FGBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2Cc2ccccc2)cc1 ZINC000182200869 496705560 /nfs/dbraw/zinc/70/55/60/496705560.db2.gz BWANGSGWECQIAM-SFHVURJKSA-N 1 1 374.462 3.076 20 5 FGBDMO COc1ccc([C@H](C)[N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000182203502 496706649 /nfs/dbraw/zinc/70/66/49/496706649.db2.gz SVNPNJKWJYHBQQ-HOCLYGCPSA-N 1 1 360.410 3.036 20 5 FGBDMO C[C@@H](c1cc(F)ccc1F)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182215487 496710618 /nfs/dbraw/zinc/71/06/18/496710618.db2.gz AOXHNULVIGZOEL-JSGCOSHPSA-N 1 1 366.364 3.306 20 5 FGBDMO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182215487 496710621 /nfs/dbraw/zinc/71/06/21/496710621.db2.gz AOXHNULVIGZOEL-JSGCOSHPSA-N 1 1 366.364 3.306 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000182216382 496710755 /nfs/dbraw/zinc/71/07/55/496710755.db2.gz HFPRJNFLHBNOQX-KRWDZBQOSA-N 1 1 360.385 3.138 20 5 FGBDMO Cc1cnc([C@@H]([NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C2CC2)s1 ZINC000185307719 496726929 /nfs/dbraw/zinc/72/69/29/496726929.db2.gz SLVFYHDZLLPEII-NHYWBVRUSA-N 1 1 360.439 3.428 20 5 FGBDMO O=C1CC[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)CC[C@@H]2N1C1CC1 ZINC000182357713 496731272 /nfs/dbraw/zinc/73/12/72/496731272.db2.gz UGZKGGJCGSZSCY-DYVFJYSZSA-N 1 1 363.845 3.224 20 5 FGBDMO O=C1CC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)CC[C@@H]2N1C1CC1 ZINC000182357713 496731273 /nfs/dbraw/zinc/73/12/73/496731273.db2.gz UGZKGGJCGSZSCY-DYVFJYSZSA-N 1 1 363.845 3.224 20 5 FGBDMO O=C1CC[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)CC[C@H]2N1C1CC1 ZINC000182357693 496731441 /nfs/dbraw/zinc/73/14/41/496731441.db2.gz UGZKGGJCGSZSCY-CXAGYDPISA-N 1 1 363.845 3.224 20 5 FGBDMO O=C1CC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)CC[C@H]2N1C1CC1 ZINC000182357693 496731442 /nfs/dbraw/zinc/73/14/42/496731442.db2.gz UGZKGGJCGSZSCY-CXAGYDPISA-N 1 1 363.845 3.224 20 5 FGBDMO COc1c(C)c[nH+]c(CN(C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1C ZINC000273389295 496792463 /nfs/dbraw/zinc/79/24/63/496792463.db2.gz JNCCPXYPTXXYBA-UHFFFAOYSA-N 1 1 373.409 3.114 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000574844115 505866428 /nfs/dbraw/zinc/86/64/28/505866428.db2.gz CXRFPVOPNRNMER-ZBFHGGJFSA-N 1 1 354.410 3.196 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000574844115 505866431 /nfs/dbraw/zinc/86/64/31/505866431.db2.gz CXRFPVOPNRNMER-ZBFHGGJFSA-N 1 1 354.410 3.196 20 5 FGBDMO CNc1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000578133110 505869907 /nfs/dbraw/zinc/86/99/07/505869907.db2.gz AKYFUYMOWZXRFS-QGZVFWFLSA-N 1 1 374.828 3.077 20 5 FGBDMO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)cccc1[N+](=O)[O-] ZINC000247701943 496907680 /nfs/dbraw/zinc/90/76/80/496907680.db2.gz UUGUCUGIAYOREZ-KDOFPFPSSA-N 1 1 371.441 3.011 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000580950068 505875330 /nfs/dbraw/zinc/87/53/30/505875330.db2.gz GRPWPPGUQVEFOX-MRXNPFEDSA-N 1 1 354.410 3.116 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000248143975 496963063 /nfs/dbraw/zinc/96/30/63/496963063.db2.gz ZCEBOBYQRAJNDQ-SJLPKXTDSA-N 1 1 371.462 3.492 20 5 FGBDMO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000269581548 496973968 /nfs/dbraw/zinc/97/39/68/496973968.db2.gz WLOWDWIBJFIRAE-YOEHRIQHSA-N 1 1 368.437 3.165 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)c2nccs2)cccc1[N+](=O)[O-] ZINC000248436771 497012224 /nfs/dbraw/zinc/01/22/24/497012224.db2.gz AXIPQVFPAJJXLK-WCQYABFASA-N 1 1 362.455 3.422 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@H+](C)C[C@H](C)c2nccs2)cccc1[N+](=O)[O-] ZINC000248436771 497012228 /nfs/dbraw/zinc/01/22/28/497012228.db2.gz AXIPQVFPAJJXLK-WCQYABFASA-N 1 1 362.455 3.422 20 5 FGBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000264956996 497019413 /nfs/dbraw/zinc/01/94/13/497019413.db2.gz MLDPZTGWKKARCL-UHFFFAOYSA-N 1 1 353.422 3.331 20 5 FGBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000265010707 497030768 /nfs/dbraw/zinc/03/07/68/497030768.db2.gz WZCOQEVEHOAYNB-UHFFFAOYSA-N 1 1 367.449 3.374 20 5 FGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000248757730 497099953 /nfs/dbraw/zinc/09/99/53/497099953.db2.gz KKVFSDZUTKTFAD-NQIIRXRSSA-N 1 1 370.449 3.482 20 5 FGBDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 ZINC000278500555 497135576 /nfs/dbraw/zinc/13/55/76/497135576.db2.gz NTQWBFIDJLQOOE-JPQMIFPKSA-N 1 1 363.395 3.091 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3c(C4CC4)nc4sccn34)nc2c1 ZINC000278718934 497199375 /nfs/dbraw/zinc/19/93/75/497199375.db2.gz PJXGXPREBDOYPD-UHFFFAOYSA-N 1 1 368.422 3.348 20 5 FGBDMO CN1CCN(CCC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000237208099 497204219 /nfs/dbraw/zinc/20/42/19/497204219.db2.gz LXUOJAQVUTWUID-UHFFFAOYSA-N 1 1 374.510 3.050 20 5 FGBDMO Cc1ccnc([C@H]2CC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)c1 ZINC000581020769 505892252 /nfs/dbraw/zinc/89/22/52/505892252.db2.gz NGGAPEQOKFNJLM-HNNXBMFYSA-N 1 1 354.410 3.116 20 5 FGBDMO CC(C)NC(=O)c1ccc(NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000252179899 497297769 /nfs/dbraw/zinc/29/77/69/497297769.db2.gz PUTHMZOSCQWHPT-LSDHHAIUSA-N 1 1 362.474 3.265 20 5 FGBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000253548030 497339072 /nfs/dbraw/zinc/33/90/72/497339072.db2.gz BCYBAOHFRVACDV-FMKPAKJESA-N 1 1 363.483 3.161 20 5 FGBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000253548031 497339402 /nfs/dbraw/zinc/33/94/02/497339402.db2.gz BCYBAOHFRVACDV-LZWOXQAQSA-N 1 1 363.483 3.161 20 5 FGBDMO C[N@@H+](Cc1ccccc1Cl)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193316036 497347728 /nfs/dbraw/zinc/34/77/28/497347728.db2.gz PZCATIZSYORLEI-CQSZACIVSA-N 1 1 350.802 3.120 20 5 FGBDMO C[N@H+](Cc1ccccc1Cl)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193316036 497347734 /nfs/dbraw/zinc/34/77/34/497347734.db2.gz PZCATIZSYORLEI-CQSZACIVSA-N 1 1 350.802 3.120 20 5 FGBDMO C[C@@H]1C[C@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[N@H+]1C1CC1 ZINC000275605703 497380425 /nfs/dbraw/zinc/38/04/25/497380425.db2.gz GNFCLMOHRSAQOV-HIFRSBDPSA-N 1 1 361.445 3.449 20 5 FGBDMO CC1(C)C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000190190490 497393145 /nfs/dbraw/zinc/39/31/45/497393145.db2.gz INNWLGMWNWZJGR-ZDUSSCGKSA-N 1 1 359.348 3.104 20 5 FGBDMO CC1(C)C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000190190490 497393150 /nfs/dbraw/zinc/39/31/50/497393150.db2.gz INNWLGMWNWZJGR-ZDUSSCGKSA-N 1 1 359.348 3.104 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)N(C)CC[C@H]2CCCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000245447995 497413048 /nfs/dbraw/zinc/41/30/48/497413048.db2.gz MMQZLLMWONRXSY-JKSUJKDBSA-N 1 1 362.474 3.036 20 5 FGBDMO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc2c(c1)CC(=O)N2C ZINC000271827049 497462581 /nfs/dbraw/zinc/46/25/81/497462581.db2.gz OXGQXWYPOWLLOL-LLVKDONJSA-N 1 1 366.377 3.106 20 5 FGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CCN(C(=O)c2ccccc2)CC1 ZINC000266997326 497464714 /nfs/dbraw/zinc/46/47/14/497464714.db2.gz FJBMBBQRRIROHQ-UHFFFAOYSA-N 1 1 371.412 3.471 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193766464 497475040 /nfs/dbraw/zinc/47/50/40/497475040.db2.gz LSMZOUXFPMNEPD-KRWDZBQOSA-N 1 1 353.422 3.155 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000245898215 497564785 /nfs/dbraw/zinc/56/47/85/497564785.db2.gz PPMGRQRHXRHJOT-JKSUJKDBSA-N 1 1 352.456 3.090 20 5 FGBDMO CCOc1cc(C[NH2+][C@H](C[S@](C)=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000276950690 497697407 /nfs/dbraw/zinc/69/74/07/497697407.db2.gz UEWDRPIQWKJSDG-CPJLOUKISA-N 1 1 362.451 3.203 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000581218214 505935824 /nfs/dbraw/zinc/93/58/24/505935824.db2.gz OULHDOLXNWRMNL-CMIZMYSDSA-N 1 1 358.360 3.491 20 5 FGBDMO CCn1c(C)nc([N+](=O)[O-])c1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000572317209 505939495 /nfs/dbraw/zinc/93/94/95/505939495.db2.gz RILZTTOGLSWJDC-KRWDZBQOSA-N 1 1 357.458 3.220 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)cc1F ZINC000288775814 497896936 /nfs/dbraw/zinc/89/69/36/497896936.db2.gz JZQHXEXWINTUBQ-IBGZPJMESA-N 1 1 362.376 3.300 20 5 FGBDMO Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364340550 497907542 /nfs/dbraw/zinc/90/75/42/497907542.db2.gz RZTGHHBETUKPSS-HNNXBMFYSA-N 1 1 360.462 3.197 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000364540946 498012848 /nfs/dbraw/zinc/01/28/48/498012848.db2.gz RLWYBGOTFLIJKZ-UXLLHSPISA-N 1 1 358.442 3.160 20 5 FGBDMO CN(c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C)C1 ZINC000301347089 498067064 /nfs/dbraw/zinc/06/70/64/498067064.db2.gz KUOXYHDBLATPQZ-QGZVFWFLSA-N 1 1 353.422 3.356 20 5 FGBDMO CC(C)(C)[C@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1O ZINC000330853381 498206342 /nfs/dbraw/zinc/20/63/42/498206342.db2.gz MOXHSJBJLFOLIC-IRXDYDNUSA-N 1 1 359.426 3.479 20 5 FGBDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1O ZINC000330853381 498206346 /nfs/dbraw/zinc/20/63/46/498206346.db2.gz MOXHSJBJLFOLIC-IRXDYDNUSA-N 1 1 359.426 3.479 20 5 FGBDMO CCOc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c(C)n3)CC2)cc1 ZINC000301659774 498210321 /nfs/dbraw/zinc/21/03/21/498210321.db2.gz TZBPFWINAGMBIP-UHFFFAOYSA-N 1 1 356.426 3.019 20 5 FGBDMO CC(=O)NCc1ccc([C@H]2CCC[N@H+]2CCOc2ccc([N+](=O)[O-])cc2)o1 ZINC000364920654 498210980 /nfs/dbraw/zinc/21/09/80/498210980.db2.gz UXPGROAXXZOYFO-GOSISDBHSA-N 1 1 373.409 3.040 20 5 FGBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000572561074 505997610 /nfs/dbraw/zinc/99/76/10/505997610.db2.gz OHIWKSMQJTWREF-NSHDSACASA-N 1 1 372.263 3.208 20 5 FGBDMO O=[N+]([O-])c1cc(Br)cnc1N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000301666877 498213775 /nfs/dbraw/zinc/21/37/75/498213775.db2.gz CLVNXOHCHREINX-CYBMUJFWSA-N 1 1 369.263 3.429 20 5 FGBDMO C[C@@H](CNc1ncc(Br)cc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000301703332 498232439 /nfs/dbraw/zinc/23/24/39/498232439.db2.gz UNMIAADZSPDFQQ-MNOVXSKESA-N 1 1 357.252 3.285 20 5 FGBDMO CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCc2cccnc21 ZINC000365002512 498249620 /nfs/dbraw/zinc/24/96/20/498249620.db2.gz VEUUHEJAFFVNCJ-GOSISDBHSA-N 1 1 368.437 3.352 20 5 FGBDMO CC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCc2cccnc21 ZINC000365002512 498249624 /nfs/dbraw/zinc/24/96/24/498249624.db2.gz VEUUHEJAFFVNCJ-GOSISDBHSA-N 1 1 368.437 3.352 20 5 FGBDMO COc1cc(NCC[N@@H+]2CCc3sccc3C2)c(F)cc1[N+](=O)[O-] ZINC000301907366 498321666 /nfs/dbraw/zinc/32/16/66/498321666.db2.gz ANADXAFUBMWHQR-UHFFFAOYSA-N 1 1 351.403 3.274 20 5 FGBDMO COc1cc(NCC[N@H+]2CCc3sccc3C2)c(F)cc1[N+](=O)[O-] ZINC000301907366 498321672 /nfs/dbraw/zinc/32/16/72/498321672.db2.gz ANADXAFUBMWHQR-UHFFFAOYSA-N 1 1 351.403 3.274 20 5 FGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)c1 ZINC000282157587 498405163 /nfs/dbraw/zinc/40/51/63/498405163.db2.gz TZACIOLMKYCFEW-APWZRJJASA-N 1 1 370.453 3.041 20 5 FGBDMO C[C@@H]1CCC[N@@H+](CCCCNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000286543446 498431251 /nfs/dbraw/zinc/43/12/51/498431251.db2.gz YZWDLUCHRMTPGS-CYBMUJFWSA-N 1 1 359.430 3.168 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]C[C@H]1COc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000290188007 498456121 /nfs/dbraw/zinc/45/61/21/498456121.db2.gz FVFYODCPKWVRLV-KXBFYZLASA-N 1 1 364.405 3.184 20 5 FGBDMO C[C@@H](CCN1CC[NH+](C)CC1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000302241349 498456798 /nfs/dbraw/zinc/45/67/98/498456798.db2.gz IITGVALMDSDDSY-LBPRGKRZSA-N 1 1 360.380 3.052 20 5 FGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000297554167 498492019 /nfs/dbraw/zinc/49/20/19/498492019.db2.gz CJCIXZNTRHUEAY-YPMHNXCESA-N 1 1 371.359 3.312 20 5 FGBDMO Cc1cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)ncc1[N+](=O)[O-] ZINC000302686932 498533238 /nfs/dbraw/zinc/53/32/38/498533238.db2.gz APCMCLATJMNNMB-KRWDZBQOSA-N 1 1 356.426 3.001 20 5 FGBDMO COc1ccc2[nH]cc(C3CC[NH+](Cc4c([N+](=O)[O-])ncn4C)CC3)c2c1 ZINC000363045142 498619961 /nfs/dbraw/zinc/61/99/61/498619961.db2.gz CRISGZCLYPIPBZ-UHFFFAOYSA-N 1 1 369.425 3.198 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000302906721 498624728 /nfs/dbraw/zinc/62/47/28/498624728.db2.gz XCJIYTKTPUXFDU-IBGZPJMESA-N 1 1 355.438 3.472 20 5 FGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000578988587 506069087 /nfs/dbraw/zinc/06/90/87/506069087.db2.gz MXAMNZYYNPSOIT-JTQLQIEISA-N 1 1 372.263 3.124 20 5 FGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000363123145 498662294 /nfs/dbraw/zinc/66/22/94/498662294.db2.gz YOYFFXLOYYABFP-BBRMVZONSA-N 1 1 368.397 3.239 20 5 FGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000363123145 498662303 /nfs/dbraw/zinc/66/23/03/498662303.db2.gz YOYFFXLOYYABFP-BBRMVZONSA-N 1 1 368.397 3.239 20 5 FGBDMO CN(C)c1ccccc1C[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000581848363 506073295 /nfs/dbraw/zinc/07/32/95/506073295.db2.gz VMVWABSAMCBBPN-UHFFFAOYSA-N 1 1 356.426 3.121 20 5 FGBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](Cc3cnc(-c4ccco4)s3)C2)c1 ZINC000366011672 498731210 /nfs/dbraw/zinc/73/12/10/498731210.db2.gz OEHIWYQBLWCSIT-GFCCVEGCSA-N 1 1 359.411 3.345 20 5 FGBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3cnc(-c4ccco4)s3)C2)c1 ZINC000366011672 498731217 /nfs/dbraw/zinc/73/12/17/498731217.db2.gz OEHIWYQBLWCSIT-GFCCVEGCSA-N 1 1 359.411 3.345 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000298367490 498747315 /nfs/dbraw/zinc/74/73/15/498747315.db2.gz SZMQBNMSIFMSQQ-CYBMUJFWSA-N 1 1 359.451 3.141 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000298367490 498747319 /nfs/dbraw/zinc/74/73/19/498747319.db2.gz SZMQBNMSIFMSQQ-CYBMUJFWSA-N 1 1 359.451 3.141 20 5 FGBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C[C@@H]2[C@@H]1c1ccccc1 ZINC000363417693 498810426 /nfs/dbraw/zinc/81/04/26/498810426.db2.gz BCLDSRMGLCCVNE-LJHODMEESA-N 1 1 369.396 3.109 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cc1F ZINC000283254647 498831792 /nfs/dbraw/zinc/83/17/92/498831792.db2.gz VQEGRHCSRUSJEW-CQSZACIVSA-N 1 1 355.373 3.156 20 5 FGBDMO CC(=O)c1ccc(N[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000363589795 498892149 /nfs/dbraw/zinc/89/21/49/498892149.db2.gz VNEPQNKKTXZEKU-RRQGHBQHSA-N 1 1 361.442 3.099 20 5 FGBDMO COc1cc(C[NH2+]Cc2ccnc(C(F)(F)F)c2)c([N+](=O)[O-])cc1OC ZINC000295128534 498919642 /nfs/dbraw/zinc/91/96/42/498919642.db2.gz XPVRIUBLTRJXSI-UHFFFAOYSA-N 1 1 371.315 3.316 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C1CCN(c2ccccn2)CC1 ZINC000366636910 499013518 /nfs/dbraw/zinc/01/35/18/499013518.db2.gz LLTYVCOLDDGKJK-UHFFFAOYSA-N 1 1 356.426 3.099 20 5 FGBDMO CC[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1nnc2n1CCCCC2 ZINC000284031478 499035008 /nfs/dbraw/zinc/03/50/08/499035008.db2.gz JIXSIDOLMNJXRG-SWLSCSKDSA-N 1 1 358.446 3.297 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000291960152 499111552 /nfs/dbraw/zinc/11/15/52/499111552.db2.gz WKXJWQQKKQHQTC-WBVHZDCISA-N 1 1 353.422 3.296 20 5 FGBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc([N+](=O)[O-])c1F ZINC000367198951 499160283 /nfs/dbraw/zinc/16/02/83/499160283.db2.gz HMEKCOWTPBCQIE-INIZCTEOSA-N 1 1 371.412 3.328 20 5 FGBDMO Cc1cc(C(=O)N2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)cc([N+](=O)[O-])c1 ZINC000367208331 499161799 /nfs/dbraw/zinc/16/17/99/499161799.db2.gz ITKVVSOBPNTSAK-INIZCTEOSA-N 1 1 357.454 3.240 20 5 FGBDMO C[N@@H+](C[C@H]1CC12CCN(c1ncc(Cl)cc1[N+](=O)[O-])CC2)C1CC1 ZINC000367297007 499175768 /nfs/dbraw/zinc/17/57/68/499175768.db2.gz VJJZEAQIYVLKGZ-GFCCVEGCSA-N 1 1 350.850 3.344 20 5 FGBDMO Cc1c([C@H]2CCC[N@H+]2[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cnn1C ZINC000367341795 499184619 /nfs/dbraw/zinc/18/46/19/499184619.db2.gz HFBFYUPQTAUDBJ-KBXCAEBGSA-N 1 1 371.441 3.109 20 5 FGBDMO Cc1c([C@H]2CCC[N@@H+]2[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cnn1C ZINC000367341795 499184622 /nfs/dbraw/zinc/18/46/22/499184622.db2.gz HFBFYUPQTAUDBJ-KBXCAEBGSA-N 1 1 371.441 3.109 20 5 FGBDMO CC(=O)c1cc(N2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000367349708 499186557 /nfs/dbraw/zinc/18/65/57/499186557.db2.gz UOFQEOKVDMUFHK-OAHLLOKOSA-N 1 1 357.454 3.498 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCc4ncccc4C3)o2)c1 ZINC000367858039 499238948 /nfs/dbraw/zinc/23/89/48/499238948.db2.gz JKUJZJDZVZEZCU-UHFFFAOYSA-N 1 1 350.378 3.246 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000370697810 499245424 /nfs/dbraw/zinc/24/54/24/499245424.db2.gz AEZKEKRSLYPWFH-GFCCVEGCSA-N 1 1 361.471 3.043 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000370697810 499245426 /nfs/dbraw/zinc/24/54/26/499245426.db2.gz AEZKEKRSLYPWFH-GFCCVEGCSA-N 1 1 361.471 3.043 20 5 FGBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000370869099 499264528 /nfs/dbraw/zinc/26/45/28/499264528.db2.gz IFUKMJUOJNSNDG-AWEZNQCLSA-N 1 1 357.414 3.095 20 5 FGBDMO Cc1cc([C@H]2CCC[N@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)n[nH]1 ZINC000368664260 499319155 /nfs/dbraw/zinc/31/91/55/499319155.db2.gz VKISVJREBGNWBH-AWEZNQCLSA-N 1 1 368.397 3.056 20 5 FGBDMO Cc1cc([C@H]2CCC[N@@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)n[nH]1 ZINC000368664260 499319157 /nfs/dbraw/zinc/31/91/57/499319157.db2.gz VKISVJREBGNWBH-AWEZNQCLSA-N 1 1 368.397 3.056 20 5 FGBDMO Cc1cc([C@H]2CCC[N@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)[nH]n1 ZINC000368664260 499319158 /nfs/dbraw/zinc/31/91/58/499319158.db2.gz VKISVJREBGNWBH-AWEZNQCLSA-N 1 1 368.397 3.056 20 5 FGBDMO Cc1cc([C@H]2CCC[N@@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)[nH]n1 ZINC000368664260 499319160 /nfs/dbraw/zinc/31/91/60/499319160.db2.gz VKISVJREBGNWBH-AWEZNQCLSA-N 1 1 368.397 3.056 20 5 FGBDMO Cn1cc([C@@H](O)C[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000371464102 499330243 /nfs/dbraw/zinc/33/02/43/499330243.db2.gz OPYBTAMDJOGKNH-WBVHZDCISA-N 1 1 364.833 3.070 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCc2nn(C(C)C)c(=O)cc2C1 ZINC000371498914 499334768 /nfs/dbraw/zinc/33/47/68/499334768.db2.gz ZZNOSJKIKIKTIZ-AWEZNQCLSA-N 1 1 356.426 3.160 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCc2nn(C(C)C)c(=O)cc2C1 ZINC000371498914 499334769 /nfs/dbraw/zinc/33/47/69/499334769.db2.gz ZZNOSJKIKIKTIZ-AWEZNQCLSA-N 1 1 356.426 3.160 20 5 FGBDMO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000368997335 499354824 /nfs/dbraw/zinc/35/48/24/499354824.db2.gz CRVHKOQPBWNJAA-HZPDHXFCSA-N 1 1 371.441 3.072 20 5 FGBDMO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000368997335 499354826 /nfs/dbraw/zinc/35/48/26/499354826.db2.gz CRVHKOQPBWNJAA-HZPDHXFCSA-N 1 1 371.441 3.072 20 5 FGBDMO Cc1c[nH+]cn1C1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000369152120 499371581 /nfs/dbraw/zinc/37/15/81/499371581.db2.gz LCZPEADSARAOTG-UHFFFAOYSA-N 1 1 374.416 3.380 20 5 FGBDMO Cc1c([C@H](C)N[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000372045506 499392609 /nfs/dbraw/zinc/39/26/09/499392609.db2.gz DGFWTSWHXDASDF-QSOKESPWSA-N 1 1 361.486 3.443 20 5 FGBDMO Cc1c([C@H](C)N[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000372045506 499392610 /nfs/dbraw/zinc/39/26/10/499392610.db2.gz DGFWTSWHXDASDF-QSOKESPWSA-N 1 1 361.486 3.443 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000372216138 499410009 /nfs/dbraw/zinc/41/00/09/499410009.db2.gz HEADZXRAMUUUKZ-QGZVFWFLSA-N 1 1 368.437 3.117 20 5 FGBDMO C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000576386273 506145606 /nfs/dbraw/zinc/14/56/06/506145606.db2.gz ISPNCMTZICLFFY-MAUKXSAKSA-N 1 1 371.437 3.150 20 5 FGBDMO CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000369686755 499436513 /nfs/dbraw/zinc/43/65/13/499436513.db2.gz IGEPLEVSRLLYDP-KRWDZBQOSA-N 1 1 356.426 3.321 20 5 FGBDMO C[C@H]1[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCC12CCOCC2 ZINC000375235658 499498118 /nfs/dbraw/zinc/49/81/18/499498118.db2.gz BFNBAUJCWSSREC-GFCCVEGCSA-N 1 1 367.833 3.078 20 5 FGBDMO C[C@H]1[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCC12CCOCC2 ZINC000375235658 499498119 /nfs/dbraw/zinc/49/81/19/499498119.db2.gz BFNBAUJCWSSREC-GFCCVEGCSA-N 1 1 367.833 3.078 20 5 FGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(F)(c3cccnc3)CC2)c([N+](=O)[O-])c1 ZINC000375338361 499508347 /nfs/dbraw/zinc/50/83/47/499508347.db2.gz XTUCPEYBJAIMSD-UHFFFAOYSA-N 1 1 360.345 3.359 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000378506773 499525251 /nfs/dbraw/zinc/52/52/51/499525251.db2.gz JFBJPRGXZLHECG-LPHOPBHVSA-N 1 1 360.502 3.065 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000378506773 499525253 /nfs/dbraw/zinc/52/52/53/499525253.db2.gz JFBJPRGXZLHECG-LPHOPBHVSA-N 1 1 360.502 3.065 20 5 FGBDMO CNc1c(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000379674543 499542945 /nfs/dbraw/zinc/54/29/45/499542945.db2.gz VVXATNOWRMOQNL-MRXNPFEDSA-N 1 1 368.437 3.031 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+](CCO)Cc1ccccc1 ZINC000381797547 499545337 /nfs/dbraw/zinc/54/53/37/499545337.db2.gz QBAZSYFYUGPOMH-UHFFFAOYSA-N 1 1 365.227 3.352 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+](CCO)Cc1ccccc1 ZINC000381797547 499545338 /nfs/dbraw/zinc/54/53/38/499545338.db2.gz QBAZSYFYUGPOMH-UHFFFAOYSA-N 1 1 365.227 3.352 20 5 FGBDMO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000398005744 499565461 /nfs/dbraw/zinc/56/54/61/499565461.db2.gz YUWXETSWLPGYAH-UTKZUKDTSA-N 1 1 369.465 3.474 20 5 FGBDMO CC(=O)c1cc(N[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000376174791 499588589 /nfs/dbraw/zinc/58/85/89/499588589.db2.gz UMGACAINKMDBMC-MZMPZRCHSA-N 1 1 361.442 3.099 20 5 FGBDMO CC(=O)c1cc(N(C)C2CC[NH+](Cc3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000376186078 499589638 /nfs/dbraw/zinc/58/96/38/499589638.db2.gz DXTKNACWIPCSIX-UHFFFAOYSA-N 1 1 368.437 3.293 20 5 FGBDMO CN1CCC[C@H]1[C@H]1CCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000376226756 499592643 /nfs/dbraw/zinc/59/26/43/499592643.db2.gz ONDPBGQCWDVDIW-ZWKOTPCHSA-N 1 1 370.453 3.351 20 5 FGBDMO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000376226756 499592644 /nfs/dbraw/zinc/59/26/44/499592644.db2.gz ONDPBGQCWDVDIW-ZWKOTPCHSA-N 1 1 370.453 3.351 20 5 FGBDMO C[N@H+]1CCC[C@H]1[C@H]1CCCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000376226756 499592645 /nfs/dbraw/zinc/59/26/45/499592645.db2.gz ONDPBGQCWDVDIW-ZWKOTPCHSA-N 1 1 370.453 3.351 20 5 FGBDMO O=[N+]([O-])c1ccc2c(c1N1CCC[C@H](c3[nH+]cc4n3CCCC4)C1)CCN2 ZINC000409651226 499612171 /nfs/dbraw/zinc/61/21/71/499612171.db2.gz HOGBLFGMWSXKDR-AWEZNQCLSA-N 1 1 367.453 3.480 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000411414078 499737142 /nfs/dbraw/zinc/73/71/42/499737142.db2.gz DOXLBCACMGQHET-ZDUSSCGKSA-N 1 1 358.398 3.020 20 5 FGBDMO C[C@@H]1COC[C@H](c2ccccc2)[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411425269 499738547 /nfs/dbraw/zinc/73/85/47/499738547.db2.gz MFGWFIWKIRPHNE-DNVCBOLYSA-N 1 1 369.421 3.385 20 5 FGBDMO C[C@@H]1COC[C@H](c2ccccc2)[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411425269 499738548 /nfs/dbraw/zinc/73/85/48/499738548.db2.gz MFGWFIWKIRPHNE-DNVCBOLYSA-N 1 1 369.421 3.385 20 5 FGBDMO COc1ccc(NC(=O)CC[N@H+]2CC(C)(C)[C@@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000411770937 499788879 /nfs/dbraw/zinc/78/88/79/499788879.db2.gz NXPSEOGNRDABJA-GDBMZVCRSA-N 1 1 361.442 3.443 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411953502 499806133 /nfs/dbraw/zinc/80/61/33/499806133.db2.gz UIGDBBUDOMJZQP-IEBWSBKVSA-N 1 1 369.421 3.040 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000411970844 499807654 /nfs/dbraw/zinc/80/76/54/499807654.db2.gz SFRQJJKFOARCRA-YWZLYKJASA-N 1 1 353.422 3.093 20 5 FGBDMO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H](c1ccccc1)C1(CO)CCOCC1 ZINC000412014893 499813236 /nfs/dbraw/zinc/81/32/36/499813236.db2.gz YKOTWHPTLBQBKP-IBGZPJMESA-N 1 1 374.412 3.354 20 5 FGBDMO C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000412704569 499878238 /nfs/dbraw/zinc/87/82/38/499878238.db2.gz ZSOOJMXXVNWIHA-AWEZNQCLSA-N 1 1 357.385 3.080 20 5 FGBDMO C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000412704569 499878240 /nfs/dbraw/zinc/87/82/40/499878240.db2.gz ZSOOJMXXVNWIHA-AWEZNQCLSA-N 1 1 357.385 3.080 20 5 FGBDMO Cc1c(Br)c(=O)n(C[C@H]2CCCC[N@H+]2C(C)C)cc1[N+](=O)[O-] ZINC000413003974 499903923 /nfs/dbraw/zinc/90/39/23/499903923.db2.gz VTTAWBJZLIHZCS-GFCCVEGCSA-N 1 1 372.263 3.090 20 5 FGBDMO Cc1c(Br)c(=O)n(C[C@H]2CCCC[N@@H+]2C(C)C)cc1[N+](=O)[O-] ZINC000413003974 499903924 /nfs/dbraw/zinc/90/39/24/499903924.db2.gz VTTAWBJZLIHZCS-GFCCVEGCSA-N 1 1 372.263 3.090 20 5 FGBDMO O=C1[C@H]([N@@H+]2CCC=C(c3ccccc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000582256151 506169565 /nfs/dbraw/zinc/16/95/65/506169565.db2.gz DJCNASFCGGDBKL-HXUWFJFHSA-N 1 1 363.417 3.489 20 5 FGBDMO O=C1[C@H]([N@H+]2CCC=C(c3ccccc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000582256151 506169570 /nfs/dbraw/zinc/16/95/70/506169570.db2.gz DJCNASFCGGDBKL-HXUWFJFHSA-N 1 1 363.417 3.489 20 5 FGBDMO CC(C)(C)[N@H+]1CCc2nc(NC(=O)c3cccc([N+](=O)[O-])c3)sc2C1 ZINC000425090769 500016392 /nfs/dbraw/zinc/01/63/92/500016392.db2.gz XRIJGXLCEGNCJO-UHFFFAOYSA-N 1 1 360.439 3.460 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000421438408 500048448 /nfs/dbraw/zinc/04/84/48/500048448.db2.gz ZZTCTGXFHGFYLT-CQSZACIVSA-N 1 1 373.478 3.450 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000421438408 500048454 /nfs/dbraw/zinc/04/84/54/500048454.db2.gz ZZTCTGXFHGFYLT-CQSZACIVSA-N 1 1 373.478 3.450 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@@H](c3nnc[nH]3)C2)s1 ZINC000425358773 500084225 /nfs/dbraw/zinc/08/42/25/500084225.db2.gz RMLXZCMKXYZQHD-GFCCVEGCSA-N 1 1 355.423 3.431 20 5 FGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425414643 500098445 /nfs/dbraw/zinc/09/84/45/500098445.db2.gz DKQWVHIVRDKJPY-CABCVRRESA-N 1 1 368.275 3.416 20 5 FGBDMO C[C@@H]1OCC[C@@]1(O)C[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000576552186 506184552 /nfs/dbraw/zinc/18/45/52/506184552.db2.gz FAAIOANQIQJOCM-OXJNMPFZSA-N 1 1 356.422 3.137 20 5 FGBDMO CC(C)(c1nc([C@@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1)c1ccccc1[N+](=O)[O-] ZINC000426604450 500294177 /nfs/dbraw/zinc/29/41/77/500294177.db2.gz UFXPETPSIRAUNC-KXBFYZLASA-N 1 1 372.425 3.230 20 5 FGBDMO CC(C)(c1nc([C@@H]2C[N@H+]3CCC[C@@]3(C)CO2)no1)c1ccccc1[N+](=O)[O-] ZINC000426604450 500294178 /nfs/dbraw/zinc/29/41/78/500294178.db2.gz UFXPETPSIRAUNC-KXBFYZLASA-N 1 1 372.425 3.230 20 5 FGBDMO CC[N@@H+](CCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21)CCC(F)(F)F ZINC000427268726 500375622 /nfs/dbraw/zinc/37/56/22/500375622.db2.gz CPFZSZDDFOTSIX-UHFFFAOYSA-N 1 1 372.347 3.080 20 5 FGBDMO Cc1ccc(NC(=O)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)nc1 ZINC000447304568 500588916 /nfs/dbraw/zinc/58/89/16/500588916.db2.gz IZZHCKVGRAFPAC-UHFFFAOYSA-N 1 1 354.410 3.291 20 5 FGBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[N@H+]1CCC[C@H](C)C1 ZINC000437183702 500611282 /nfs/dbraw/zinc/61/12/82/500611282.db2.gz MPAHEHBISVELLT-NWDGAFQWSA-N 1 1 373.375 3.464 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(Oc3cc[nH+]cc3C)CC2)c1 ZINC000447667865 500642489 /nfs/dbraw/zinc/64/24/89/500642489.db2.gz AOXHFBMWXSJALB-UHFFFAOYSA-N 1 1 371.393 3.133 20 5 FGBDMO O=[N+]([O-])c1cnc(NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)s1 ZINC000443507585 500731423 /nfs/dbraw/zinc/73/14/23/500731423.db2.gz BYGHPUYIJJRVHH-ZDUSSCGKSA-N 1 1 352.847 3.376 20 5 FGBDMO C[C@H](C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(F)cc1 ZINC000438129622 500742162 /nfs/dbraw/zinc/74/21/62/500742162.db2.gz RXZMPJILAADKED-OAHLLOKOSA-N 1 1 371.412 3.295 20 5 FGBDMO CC1(C)CCC[N@@H+](CCNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000443956903 500783013 /nfs/dbraw/zinc/78/30/13/500783013.db2.gz BUWFVTBGLVAEJD-UHFFFAOYSA-N 1 1 374.485 3.365 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000434416942 500839511 /nfs/dbraw/zinc/83/95/11/500839511.db2.gz RKDBLOGJBADHKB-BBRMVZONSA-N 1 1 363.483 3.209 20 5 FGBDMO CCOC(=O)c1ccnc(NC[C@H]2CCCC[N@H+]2CC(C)C)c1[N+](=O)[O-] ZINC000439095838 500855243 /nfs/dbraw/zinc/85/52/43/500855243.db2.gz JJMWJWIYVLWNQA-CQSZACIVSA-N 1 1 364.446 3.089 20 5 FGBDMO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000434892571 500908239 /nfs/dbraw/zinc/90/82/39/500908239.db2.gz SRIRSVMOKQGLNI-KXBFYZLASA-N 1 1 365.433 3.362 20 5 FGBDMO Cn1nnc2cc(C[N@H+]3CCC[C@H](c4ccc([N+](=O)[O-])cc4)C3)ccc21 ZINC000449494344 501016441 /nfs/dbraw/zinc/01/64/41/501016441.db2.gz AGSFDTICYNTDEM-INIZCTEOSA-N 1 1 351.410 3.256 20 5 FGBDMO C[N@@H+](CCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C1CCCC1 ZINC000436425767 501124891 /nfs/dbraw/zinc/12/48/91/501124891.db2.gz TYIZRGBZFFIDJC-UHFFFAOYSA-N 1 1 363.461 3.286 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000446490667 501125064 /nfs/dbraw/zinc/12/50/64/501125064.db2.gz OVPIHEYDZMSVSK-UHFFFAOYSA-N 1 1 374.466 3.357 20 5 FGBDMO CN1Cc2ccccc2[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1=O ZINC000598942829 506236827 /nfs/dbraw/zinc/23/68/27/506236827.db2.gz PCFRGCLNYFTXSM-MOPGFXCFSA-N 1 1 351.406 3.275 20 5 FGBDMO CN1Cc2ccccc2[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1=O ZINC000598942830 506236955 /nfs/dbraw/zinc/23/69/55/506236955.db2.gz PCFRGCLNYFTXSM-OALUTQOASA-N 1 1 351.406 3.275 20 5 FGBDMO Cc1ncc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)n1-c1ccccc1 ZINC000446840509 501171611 /nfs/dbraw/zinc/17/16/11/501171611.db2.gz ZTRDZTYWTLPHHB-UHFFFAOYSA-N 1 1 362.393 3.255 20 5 FGBDMO COc1cc(C)c(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1OC ZINC000446843671 501172269 /nfs/dbraw/zinc/17/22/69/501172269.db2.gz ONZUBDYMTKPWPR-UHFFFAOYSA-N 1 1 356.382 3.087 20 5 FGBDMO CCc1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450828680 501214915 /nfs/dbraw/zinc/21/49/15/501214915.db2.gz NNAZYTYKLNSFCO-ZNXRZULTSA-N 1 1 367.453 3.073 20 5 FGBDMO C[C@@]12C[N@@H+](CCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451368866 501277239 /nfs/dbraw/zinc/27/72/39/501277239.db2.gz MKZMDGFCLWIXCJ-URYASSDKSA-N 1 1 369.421 3.037 20 5 FGBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC000451374584 501278269 /nfs/dbraw/zinc/27/82/69/501278269.db2.gz TXLYDUDTWDKOMA-KGZPDETFSA-N 1 1 371.437 3.076 20 5 FGBDMO CCC[N@@H+]1Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])c(NC)n3)c2C1 ZINC000455374120 501285618 /nfs/dbraw/zinc/28/56/18/501285618.db2.gz RPXKEMJPMJJTQO-UHFFFAOYSA-N 1 1 355.398 3.009 20 5 FGBDMO CCC[N@H+]1Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])c(NC)n3)c2C1 ZINC000455374120 501285620 /nfs/dbraw/zinc/28/56/20/501285620.db2.gz RPXKEMJPMJJTQO-UHFFFAOYSA-N 1 1 355.398 3.009 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451428376 501291007 /nfs/dbraw/zinc/29/10/07/501291007.db2.gz WCYBSVYGQKCLGQ-BASLNEPJSA-N 1 1 372.425 3.331 20 5 FGBDMO CO[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C12CCC2 ZINC000451854473 501386318 /nfs/dbraw/zinc/38/63/18/501386318.db2.gz QVPRAHOZEQEAOX-DLBZAZTESA-N 1 1 361.442 3.121 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451893401 501394898 /nfs/dbraw/zinc/39/48/98/501394898.db2.gz CAAQBZCQMWJRIS-FZKQIMNGSA-N 1 1 358.398 3.208 20 5 FGBDMO COC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000452075874 501430025 /nfs/dbraw/zinc/43/00/25/501430025.db2.gz DOMHWHODOXZDRB-STQMWFEESA-N 1 1 369.849 3.324 20 5 FGBDMO COC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000452075874 501430028 /nfs/dbraw/zinc/43/00/28/501430028.db2.gz DOMHWHODOXZDRB-STQMWFEESA-N 1 1 369.849 3.324 20 5 FGBDMO C[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC[N@H+](C2CC2)C1 ZINC000452170906 501451313 /nfs/dbraw/zinc/45/13/13/501451313.db2.gz NHUIFPNAORWHTB-GFCCVEGCSA-N 1 1 359.451 3.366 20 5 FGBDMO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000456170193 501468558 /nfs/dbraw/zinc/46/85/58/501468558.db2.gz SKRCRGSFYCSXPO-UHFFFAOYSA-N 1 1 373.413 3.251 20 5 FGBDMO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC000456171926 501469019 /nfs/dbraw/zinc/46/90/19/501469019.db2.gz DCCMUQLDWSFCRO-UHFFFAOYSA-N 1 1 356.426 3.486 20 5 FGBDMO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000456171926 501469022 /nfs/dbraw/zinc/46/90/22/501469022.db2.gz DCCMUQLDWSFCRO-UHFFFAOYSA-N 1 1 356.426 3.486 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000456317584 501496317 /nfs/dbraw/zinc/49/63/17/501496317.db2.gz AWEZJNRDXFKJGI-MRXNPFEDSA-N 1 1 367.449 3.497 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)c1 ZINC000456332462 501500790 /nfs/dbraw/zinc/50/07/90/501500790.db2.gz LCRRBTPEDWUMJD-KRWDZBQOSA-N 1 1 367.449 3.497 20 5 FGBDMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000456353424 501507296 /nfs/dbraw/zinc/50/72/96/501507296.db2.gz OMLRGDUBYSCEOS-CQSZACIVSA-N 1 1 374.466 3.275 20 5 FGBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000456353424 501507297 /nfs/dbraw/zinc/50/72/97/501507297.db2.gz OMLRGDUBYSCEOS-CQSZACIVSA-N 1 1 374.466 3.275 20 5 FGBDMO C[C@H](NC(=O)N1CC[N@H+]([C@H]2C[C@H]2C)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000458882600 501551677 /nfs/dbraw/zinc/55/16/77/501551677.db2.gz BPQLGXLDPOPBJT-KRXQYRFLSA-N 1 1 360.458 3.028 20 5 FGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611701677 506262617 /nfs/dbraw/zinc/26/26/17/506262617.db2.gz PSHNLOKGKQVWMC-IJEWVQPXSA-N 1 1 355.442 3.380 20 5 FGBDMO CCOCCC[N@H+]1CC[C@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000611705098 506264079 /nfs/dbraw/zinc/26/40/79/506264079.db2.gz FMRNYGLUSXEMOT-PBHICJAKSA-N 1 1 373.457 3.087 20 5 FGBDMO CC1(C)CCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000457045404 501640008 /nfs/dbraw/zinc/64/00/08/501640008.db2.gz ATYCJUJKPSEIRV-UHFFFAOYSA-N 1 1 359.348 3.218 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC000459377395 501642283 /nfs/dbraw/zinc/64/22/83/501642283.db2.gz MQCWFLCEIHVXLH-UHFFFAOYSA-N 1 1 367.396 3.178 20 5 FGBDMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454980634 501665737 /nfs/dbraw/zinc/66/57/37/501665737.db2.gz WDFRQUADTPEFOJ-NVXWUHKLSA-N 1 1 362.474 3.213 20 5 FGBDMO O=[N+]([O-])c1cc(C[NH2+][C@@H](c2ccccn2)C2CCC2)c2c(c1)COCO2 ZINC000598992983 506266922 /nfs/dbraw/zinc/26/69/22/506266922.db2.gz GLYSHCYJAUGPSQ-GOSISDBHSA-N 1 1 355.394 3.487 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)c2ncc([N+](=O)[O-])cc2Br)C[C@H]1C ZINC000485165442 501744940 /nfs/dbraw/zinc/74/49/40/501744940.db2.gz UKWAZUJGYGNVDA-GHMZBOCLSA-N 1 1 357.252 3.061 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)c2ncc([N+](=O)[O-])cc2Br)C[C@H]1C ZINC000485165445 501745425 /nfs/dbraw/zinc/74/54/25/501745425.db2.gz UKWAZUJGYGNVDA-MNOVXSKESA-N 1 1 357.252 3.061 20 5 FGBDMO CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460313197 501789436 /nfs/dbraw/zinc/78/94/36/501789436.db2.gz FZZHWIQDYMEEOX-RHSMWYFYSA-N 1 1 372.473 3.040 20 5 FGBDMO Cc1ccccc1C[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000460351381 501799848 /nfs/dbraw/zinc/79/98/48/501799848.db2.gz YPEWXGZIQYLYGZ-UHFFFAOYSA-N 1 1 365.437 3.492 20 5 FGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000481674153 501845977 /nfs/dbraw/zinc/84/59/77/501845977.db2.gz IBXYNGOCBFJOOC-FQEVSTJZSA-N 1 1 354.406 3.495 20 5 FGBDMO COc1cc(CN2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000485553051 501857295 /nfs/dbraw/zinc/85/72/95/501857295.db2.gz RSQJEYSGVWLZMT-INIZCTEOSA-N 1 1 355.438 3.310 20 5 FGBDMO CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000485755431 501926081 /nfs/dbraw/zinc/92/60/81/501926081.db2.gz NQSZUZKWBVFPNG-IRXDYDNUSA-N 1 1 363.458 3.083 20 5 FGBDMO COc1cc(CN2CCC[N@@H+](Cc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000485769691 501929106 /nfs/dbraw/zinc/92/91/06/501929106.db2.gz HRCHISWIYFLROX-UHFFFAOYSA-N 1 1 373.428 3.450 20 5 FGBDMO O=C1[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCN1C1CCC1 ZINC000599020582 506282267 /nfs/dbraw/zinc/28/22/67/506282267.db2.gz TVBQGIKDEDTRJV-QGZVFWFLSA-N 1 1 355.394 3.098 20 5 FGBDMO COc1cc(C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000485769691 501929116 /nfs/dbraw/zinc/92/91/16/501929116.db2.gz HRCHISWIYFLROX-UHFFFAOYSA-N 1 1 373.428 3.450 20 5 FGBDMO COc1cc(C[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000485769691 501929120 /nfs/dbraw/zinc/92/91/20/501929120.db2.gz HRCHISWIYFLROX-UHFFFAOYSA-N 1 1 373.428 3.450 20 5 FGBDMO COC(=O)c1c(Cl)c(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000596157321 506285454 /nfs/dbraw/zinc/28/54/54/506285454.db2.gz YFFANKOTKYIOFO-VHSXEESVSA-N 1 1 353.806 3.072 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)c1 ZINC000611754168 506286400 /nfs/dbraw/zinc/28/64/00/506286400.db2.gz AIFMERGZZJIOKP-QGZVFWFLSA-N 1 1 369.421 3.092 20 5 FGBDMO CCOc1ccnc(N2CCC[N@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000468240681 502001284 /nfs/dbraw/zinc/00/12/84/502001284.db2.gz HOEOMITUTGQJGZ-HNNXBMFYSA-N 1 1 371.441 3.057 20 5 FGBDMO C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(N)c2F)[C@H]1c1ccc(F)c(F)c1 ZINC000485978189 502008297 /nfs/dbraw/zinc/00/82/97/502008297.db2.gz HPVOWVKHZHKPRK-SUMWQHHRSA-N 1 1 366.343 3.452 20 5 FGBDMO C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(N)c2F)[C@H]1c1ccc(F)c(F)c1 ZINC000485978189 502008303 /nfs/dbraw/zinc/00/83/03/502008303.db2.gz HPVOWVKHZHKPRK-SUMWQHHRSA-N 1 1 366.343 3.452 20 5 FGBDMO CCC1(CC)C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCS1 ZINC000464585666 502036439 /nfs/dbraw/zinc/03/64/39/502036439.db2.gz NMLBBOABCKQDFX-UHFFFAOYSA-N 1 1 363.483 3.092 20 5 FGBDMO CCC1(CC)C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCS1 ZINC000464585666 502036442 /nfs/dbraw/zinc/03/64/42/502036442.db2.gz NMLBBOABCKQDFX-UHFFFAOYSA-N 1 1 363.483 3.092 20 5 FGBDMO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000464615047 502045466 /nfs/dbraw/zinc/04/54/66/502045466.db2.gz GEAYTMUDJGLTJS-CYBMUJFWSA-N 1 1 373.457 3.452 20 5 FGBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475198926 502097247 /nfs/dbraw/zinc/09/72/47/502097247.db2.gz RRAJJUWNQPGMPY-VHSXEESVSA-N 1 1 360.336 3.170 20 5 FGBDMO CO[C@]1(C)C[C@H]([N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000464818949 502104970 /nfs/dbraw/zinc/10/49/70/502104970.db2.gz ALVIKMAGOXUZPP-QFBILLFUSA-N 1 1 363.458 3.367 20 5 FGBDMO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)CCO2 ZINC000475290765 502120532 /nfs/dbraw/zinc/12/05/32/502120532.db2.gz JKRIPFUHOPNMEJ-IFXJQAMLSA-N 1 1 358.394 3.235 20 5 FGBDMO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)CCO2 ZINC000475290765 502120537 /nfs/dbraw/zinc/12/05/37/502120537.db2.gz JKRIPFUHOPNMEJ-IFXJQAMLSA-N 1 1 358.394 3.235 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCOCc1ccccc1 ZINC000464854252 502122634 /nfs/dbraw/zinc/12/26/34/502122634.db2.gz OEKFRMLVLXGIGB-HNNXBMFYSA-N 1 1 357.410 3.070 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCOCc1ccccc1 ZINC000464854252 502122641 /nfs/dbraw/zinc/12/26/41/502122641.db2.gz OEKFRMLVLXGIGB-HNNXBMFYSA-N 1 1 357.410 3.070 20 5 FGBDMO Cc1ccc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000475343023 502141785 /nfs/dbraw/zinc/14/17/85/502141785.db2.gz PSSMHLZLTNPEFK-BGYRXZFFSA-N 1 1 351.450 3.467 20 5 FGBDMO CCC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000475353729 502146427 /nfs/dbraw/zinc/14/64/27/502146427.db2.gz LAIMUZRAMCZILI-HOTGVXAUSA-N 1 1 350.463 3.278 20 5 FGBDMO COc1ccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000471944760 502179879 /nfs/dbraw/zinc/17/98/79/502179879.db2.gz SSNQRZGEKGYCIK-QAPCUYQASA-N 1 1 370.409 3.170 20 5 FGBDMO C[N@H+]1CC[C@@H]2CCN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])[C@H]2C1 ZINC000486602554 502205013 /nfs/dbraw/zinc/20/50/13/502205013.db2.gz YSKXKLVXXIOUEL-QRWLVFNGSA-N 1 1 365.433 3.356 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+]2CC[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000475573597 502216148 /nfs/dbraw/zinc/21/61/48/502216148.db2.gz LTTCGPLCZAASAM-INIZCTEOSA-N 1 1 356.378 3.094 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000475573597 502216155 /nfs/dbraw/zinc/21/61/55/502216155.db2.gz LTTCGPLCZAASAM-INIZCTEOSA-N 1 1 356.378 3.094 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1c(C(F)(F)F)cnn1C ZINC000599062515 506301991 /nfs/dbraw/zinc/30/19/91/506301991.db2.gz XRCCEGYCKGLIFL-VIFPVBQESA-N 1 1 358.320 3.207 20 5 FGBDMO Cc1cc(N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)c(F)cc1[N+](=O)[O-] ZINC000461958442 502253493 /nfs/dbraw/zinc/25/34/93/502253493.db2.gz ODLGFMPFPDLNHP-APWZRJJASA-N 1 1 373.428 3.337 20 5 FGBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000462009547 502271713 /nfs/dbraw/zinc/27/17/13/502271713.db2.gz KOQLUDVPVKZIKO-OAHLLOKOSA-N 1 1 362.474 3.389 20 5 FGBDMO C[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccc(OCc2cccnc2)cc1 ZINC000602797991 506304128 /nfs/dbraw/zinc/30/41/28/506304128.db2.gz DXUSEFCZNWBCQD-AWEZNQCLSA-N 1 1 367.409 3.153 20 5 FGBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000462521638 502474174 /nfs/dbraw/zinc/47/41/74/502474174.db2.gz BUTJHCHYVNGMJN-OAHLLOKOSA-N 1 1 350.463 3.244 20 5 FGBDMO Cc1ccc(NC(=O)NCC[N@H+](C)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000483835717 502503886 /nfs/dbraw/zinc/50/38/86/502503886.db2.gz CXYGQMRXXODECO-UHFFFAOYSA-N 1 1 360.389 3.296 20 5 FGBDMO CNc1c(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000462757034 502559639 /nfs/dbraw/zinc/55/96/39/502559639.db2.gz ASAULSXRYZCBME-KGLIPLIRSA-N 1 1 360.458 3.019 20 5 FGBDMO CCS(=O)(=O)c1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000466421926 502566036 /nfs/dbraw/zinc/56/60/36/502566036.db2.gz IFEMDXSTZAYMHD-UHFFFAOYSA-N 1 1 368.842 3.332 20 5 FGBDMO C[C@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C[N@H+]1Cc1ccccc1 ZINC000466538469 502601199 /nfs/dbraw/zinc/60/11/99/502601199.db2.gz HGWIRKSFIBMIDV-WMLDXEAASA-N 1 1 354.410 3.379 20 5 FGBDMO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCCCCn1cc[nH+]c1C ZINC000462882578 502612231 /nfs/dbraw/zinc/61/22/31/502612231.db2.gz FJPUCVWUKJHGLP-UHFFFAOYSA-N 1 1 364.377 3.308 20 5 FGBDMO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000470139955 502674944 /nfs/dbraw/zinc/67/49/44/502674944.db2.gz BZAGAEREAAKVAJ-OWQGQXMQSA-N 1 1 371.462 3.409 20 5 FGBDMO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000470148872 502679513 /nfs/dbraw/zinc/67/95/13/502679513.db2.gz XTCNVTNDDGNLFJ-OAHLLOKOSA-N 1 1 358.373 3.130 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000470171043 502692007 /nfs/dbraw/zinc/69/20/07/502692007.db2.gz DTWFVTTYMCKLHM-IYYMRFBLSA-N 1 1 372.513 3.100 20 5 FGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000470170092 502692089 /nfs/dbraw/zinc/69/20/89/502692089.db2.gz OKCJKRWLRGUYOZ-GTVARFKMSA-N 1 1 359.470 3.042 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000477212576 502708781 /nfs/dbraw/zinc/70/87/81/502708781.db2.gz WMFVQZOSPBBFTF-UHFFFAOYSA-N 1 1 373.840 3.345 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000477212576 502708785 /nfs/dbraw/zinc/70/87/85/502708785.db2.gz WMFVQZOSPBBFTF-UHFFFAOYSA-N 1 1 373.840 3.345 20 5 FGBDMO CC(C)(C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000484696796 502711407 /nfs/dbraw/zinc/71/14/07/502711407.db2.gz SEOUWEBOIIOWOT-MAUKXSAKSA-N 1 1 371.481 3.348 20 5 FGBDMO COCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H]1CC[C@@H](C)C1 ZINC000484860628 502757165 /nfs/dbraw/zinc/75/71/65/502757165.db2.gz JDIJRPWEJRPKES-ZBFHGGJFSA-N 1 1 363.458 3.369 20 5 FGBDMO C[NH+]1CCC2(CCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)CC1 ZINC000602876092 506333767 /nfs/dbraw/zinc/33/37/67/506333767.db2.gz DMBJNFSMVLWBMT-UHFFFAOYSA-N 1 1 356.426 3.168 20 5 FGBDMO C[C@H](c1cccnc1)[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000481198360 502780693 /nfs/dbraw/zinc/78/06/93/502780693.db2.gz NUOPUUMTEGKSDW-CQSZACIVSA-N 1 1 366.425 3.139 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC2(C1)CC[NH+](C)CC2 ZINC000602878093 506334297 /nfs/dbraw/zinc/33/42/97/506334297.db2.gz ULKJPXCTOQIBFL-CQSZACIVSA-N 1 1 371.441 3.124 20 5 FGBDMO COC(=O)c1c(Cl)c(NCC[C@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000596269241 506335006 /nfs/dbraw/zinc/33/50/06/506335006.db2.gz GOASNUZASJPQJS-LLVKDONJSA-N 1 1 355.822 3.179 20 5 FGBDMO CCOC(=O)c1cc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000488742667 502800240 /nfs/dbraw/zinc/80/02/40/502800240.db2.gz FZRORVHRWVHAQI-CQSZACIVSA-N 1 1 361.442 3.082 20 5 FGBDMO CCCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000505006408 502838507 /nfs/dbraw/zinc/83/85/07/502838507.db2.gz SXFBGCGMNYXNST-QGZVFWFLSA-N 1 1 370.453 3.440 20 5 FGBDMO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1ccccc1OCC(F)(F)F)CC2 ZINC000495470460 502844653 /nfs/dbraw/zinc/84/46/53/502844653.db2.gz ONQWTIMXPAWWSG-UHFFFAOYSA-N 1 1 367.327 3.489 20 5 FGBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1ccccc1OCC(F)(F)F)CC2 ZINC000495470460 502844656 /nfs/dbraw/zinc/84/46/56/502844656.db2.gz ONQWTIMXPAWWSG-UHFFFAOYSA-N 1 1 367.327 3.489 20 5 FGBDMO COc1cc(C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)ccc1[N+](=O)[O-] ZINC000488989476 502855156 /nfs/dbraw/zinc/85/51/56/502855156.db2.gz XPFVKGKJJXRAGE-AWEZNQCLSA-N 1 1 361.373 3.181 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@H](Oc3ncccc3F)C2)ccc1[N+](=O)[O-] ZINC000488989476 502855160 /nfs/dbraw/zinc/85/51/60/502855160.db2.gz XPFVKGKJJXRAGE-AWEZNQCLSA-N 1 1 361.373 3.181 20 5 FGBDMO C[C@@H]1C[C@H](c2ccccc2)[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000513228596 502883902 /nfs/dbraw/zinc/88/39/02/502883902.db2.gz LNJVJWPXZKUPQG-MOXGXCLJSA-N 1 1 356.422 3.418 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOc2ccc(F)cc2C1 ZINC000489256236 502912333 /nfs/dbraw/zinc/91/23/33/502912333.db2.gz SDBKLBRLDLLSJF-UHFFFAOYSA-N 1 1 373.384 3.266 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCOc2ccc(F)cc2C1 ZINC000489256236 502912337 /nfs/dbraw/zinc/91/23/37/502912337.db2.gz SDBKLBRLDLLSJF-UHFFFAOYSA-N 1 1 373.384 3.266 20 5 FGBDMO CSc1ccc(C(=O)N[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000497400930 502950020 /nfs/dbraw/zinc/95/00/20/502950020.db2.gz KFIVDYAFIYIJOX-CVEARBPZSA-N 1 1 371.462 3.144 20 5 FGBDMO Cc1ccc([C@@H](C)NC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000489446612 502960682 /nfs/dbraw/zinc/96/06/82/502960682.db2.gz ISIOOCQJEDPGCR-GDBMZVCRSA-N 1 1 374.485 3.480 20 5 FGBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000501227312 502962208 /nfs/dbraw/zinc/96/22/08/502962208.db2.gz KEFDCSAJMPUJNO-CRAIPNDOSA-N 1 1 353.422 3.089 20 5 FGBDMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000513554010 502965168 /nfs/dbraw/zinc/96/51/68/502965168.db2.gz MNJWKUDUGXFUEU-UHFFFAOYSA-N 1 1 358.373 3.082 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)c1 ZINC000501459519 503014415 /nfs/dbraw/zinc/01/44/15/503014415.db2.gz UGJSZQHOJWLAPO-STQMWFEESA-N 1 1 351.472 3.167 20 5 FGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(CCCN2CCOCC2)CC1 ZINC000506029814 503032744 /nfs/dbraw/zinc/03/27/44/503032744.db2.gz DRSCAWGLPIOFEA-QGZVFWFLSA-N 1 1 361.486 3.480 20 5 FGBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cc(C(C)(C)C)n[nH]1 ZINC000501840798 503091350 /nfs/dbraw/zinc/09/13/50/503091350.db2.gz DVSRDPCIGIHNRM-UHFFFAOYSA-N 1 1 359.430 3.076 20 5 FGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000510405960 503107619 /nfs/dbraw/zinc/10/76/19/503107619.db2.gz JHTBPHHFXQMIGS-MRXNPFEDSA-N 1 1 352.394 3.270 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@H](n3ncc4ccccc43)C2)ccc1[N+](=O)[O-] ZINC000510446379 503116540 /nfs/dbraw/zinc/11/65/40/503116540.db2.gz SQOCLWSQGNJTKY-MRXNPFEDSA-N 1 1 352.394 3.400 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@H](n3ncc4ccccc43)C2)ccc1[N+](=O)[O-] ZINC000510446378 503116869 /nfs/dbraw/zinc/11/68/69/503116869.db2.gz SQOCLWSQGNJTKY-INIZCTEOSA-N 1 1 352.394 3.400 20 5 FGBDMO CCOCC[NH+]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000506458717 503118561 /nfs/dbraw/zinc/11/85/61/503118561.db2.gz DSHVIVRWILXZJS-UHFFFAOYSA-N 1 1 359.426 3.009 20 5 FGBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498177700 503125180 /nfs/dbraw/zinc/12/51/80/503125180.db2.gz BVOQSMKLLVUIHS-ZNMIVQPWSA-N 1 1 370.453 3.239 20 5 FGBDMO COc1cccc([C@H]2CCC[N@H+]2C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000514522447 503133453 /nfs/dbraw/zinc/13/34/53/503133453.db2.gz GADBLYRPSCXKQF-YLJYHZDGSA-N 1 1 372.421 3.180 20 5 FGBDMO CC[N@@H+]1CCO[C@H](C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000498268326 503146587 /nfs/dbraw/zinc/14/65/87/503146587.db2.gz UCJXMFWAIZWHNI-SFHVURJKSA-N 1 1 371.393 3.046 20 5 FGBDMO CC[N@H+]1CCO[C@H](C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000498268326 503146590 /nfs/dbraw/zinc/14/65/90/503146590.db2.gz UCJXMFWAIZWHNI-SFHVURJKSA-N 1 1 371.393 3.046 20 5 FGBDMO O=[N+]([O-])c1cnc(NC[C@@H]2CC[N@@H+]2C2CCCC2)c(Br)c1 ZINC000599164031 506355108 /nfs/dbraw/zinc/35/51/08/506355108.db2.gz IAXCQSAOUVFOEW-NSHDSACASA-N 1 1 355.236 3.181 20 5 FGBDMO O=[N+]([O-])c1cnc(NC[C@@H]2CC[N@H+]2C2CCCC2)c(Br)c1 ZINC000599164031 506355115 /nfs/dbraw/zinc/35/51/15/506355115.db2.gz IAXCQSAOUVFOEW-NSHDSACASA-N 1 1 355.236 3.181 20 5 FGBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)c1 ZINC000510673085 503169716 /nfs/dbraw/zinc/16/97/16/503169716.db2.gz YMOXYELAJDTYFW-HXUWFJFHSA-N 1 1 354.406 3.148 20 5 FGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCO[C@]3(CCc4ccccc43)C2)c1 ZINC000510673085 503169718 /nfs/dbraw/zinc/16/97/18/503169718.db2.gz YMOXYELAJDTYFW-HXUWFJFHSA-N 1 1 354.406 3.148 20 5 FGBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@@]2(CO)Cc2ccccc2)c(F)c1 ZINC000510775875 503189778 /nfs/dbraw/zinc/18/97/78/503189778.db2.gz AUEJHIXDLXHMEZ-IBGZPJMESA-N 1 1 362.376 3.443 20 5 FGBDMO CCOc1ccccc1NC(=O)[C@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511059873 503244175 /nfs/dbraw/zinc/24/41/75/503244175.db2.gz PHXHSBNBYBMCQY-HNNXBMFYSA-N 1 1 371.437 3.495 20 5 FGBDMO CCOc1ccccc1NC(=O)[C@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511059873 503244178 /nfs/dbraw/zinc/24/41/78/503244178.db2.gz PHXHSBNBYBMCQY-HNNXBMFYSA-N 1 1 371.437 3.495 20 5 FGBDMO CSc1ccc(NC(=O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000511097754 503253570 /nfs/dbraw/zinc/25/35/70/503253570.db2.gz WTZOBHCYQAALFC-UHFFFAOYSA-N 1 1 359.451 3.430 20 5 FGBDMO CSc1ccc(NC(=O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000511097754 503253574 /nfs/dbraw/zinc/25/35/74/503253574.db2.gz WTZOBHCYQAALFC-UHFFFAOYSA-N 1 1 359.451 3.430 20 5 FGBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)N1CCCc2ccccc21 ZINC000511134886 503265090 /nfs/dbraw/zinc/26/50/90/503265090.db2.gz CUWRJYHODTYQAT-UHFFFAOYSA-N 1 1 353.422 3.049 20 5 FGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)N1CCCc2ccccc21 ZINC000511134886 503265093 /nfs/dbraw/zinc/26/50/93/503265093.db2.gz CUWRJYHODTYQAT-UHFFFAOYSA-N 1 1 353.422 3.049 20 5 FGBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1)c1ccccc1 ZINC000491114690 503275113 /nfs/dbraw/zinc/27/51/13/503275113.db2.gz WPMRFQFVNJMIDG-HNNXBMFYSA-N 1 1 371.412 3.376 20 5 FGBDMO O=C(NC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1)c1ccccc1 ZINC000491114690 503275116 /nfs/dbraw/zinc/27/51/16/503275116.db2.gz WPMRFQFVNJMIDG-HNNXBMFYSA-N 1 1 371.412 3.376 20 5 FGBDMO CC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1C)[N@H+]1CCc2ccccc2C1 ZINC000511263627 503289729 /nfs/dbraw/zinc/28/97/29/503289729.db2.gz BAIXOJQXKPDGNS-SFHVURJKSA-N 1 1 367.449 3.470 20 5 FGBDMO COc1cc(C[N@H+](C)C[C@H]2OCCc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000511623642 503356459 /nfs/dbraw/zinc/35/64/59/503356459.db2.gz HIEIMQXGPLYVQJ-HXUWFJFHSA-N 1 1 372.421 3.358 20 5 FGBDMO COc1cc(C[N@@H+](C)C[C@H]2OCCc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000511623642 503356463 /nfs/dbraw/zinc/35/64/63/503356463.db2.gz HIEIMQXGPLYVQJ-HXUWFJFHSA-N 1 1 372.421 3.358 20 5 FGBDMO CCNc1ccc(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000511709977 503373846 /nfs/dbraw/zinc/37/38/46/503373846.db2.gz ZCAZKYUZJRJSLH-GOEBONIOSA-N 1 1 374.485 3.409 20 5 FGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)cc1 ZINC000511781563 503386372 /nfs/dbraw/zinc/38/63/72/503386372.db2.gz PNTBOCDMSOOSQM-HKBOAZHASA-N 1 1 368.433 3.478 20 5 FGBDMO COc1cc(C[NH2+]Cc2cncc(C)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493573569 503434614 /nfs/dbraw/zinc/43/46/14/503434614.db2.gz PPRDQKBQHOSLND-UHFFFAOYSA-N 1 1 367.352 3.241 20 5 FGBDMO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000494010661 503474325 /nfs/dbraw/zinc/47/43/25/503474325.db2.gz GCANNJFTBYDYCJ-CUYZEOOHSA-N 1 1 365.433 3.283 20 5 FGBDMO CCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CCN1CCCC1 ZINC000512428618 503548112 /nfs/dbraw/zinc/54/81/12/503548112.db2.gz WRVQVKHIRWWLAE-UHFFFAOYSA-N 1 1 362.474 3.040 20 5 FGBDMO CCCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC[NH+]1CCCC1 ZINC000512428618 503548115 /nfs/dbraw/zinc/54/81/15/503548115.db2.gz WRVQVKHIRWWLAE-UHFFFAOYSA-N 1 1 362.474 3.040 20 5 FGBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000500120252 503558561 /nfs/dbraw/zinc/55/85/61/503558561.db2.gz IHOKSVLDIHNMCZ-QWRGUYRKSA-N 1 1 359.348 3.168 20 5 FGBDMO Cc1ccc(C[C@@H]2CCC[N@H+]2C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000500231575 503584538 /nfs/dbraw/zinc/58/45/38/503584538.db2.gz BMBFHOJFMLYALO-ICSRJNTNSA-N 1 1 370.449 3.350 20 5 FGBDMO C[C@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000516828211 503594933 /nfs/dbraw/zinc/59/49/33/503594933.db2.gz IJBHWTWAXOGGOP-HOTGVXAUSA-N 1 1 355.438 3.335 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@@H](COC(F)F)C3)co2)cc1 ZINC000512806316 503636059 /nfs/dbraw/zinc/63/60/59/503636059.db2.gz UAYQCKBBSDACHD-LLVKDONJSA-N 1 1 353.325 3.311 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@@H](COC(F)F)C3)co2)cc1 ZINC000512806316 503636062 /nfs/dbraw/zinc/63/60/62/503636062.db2.gz UAYQCKBBSDACHD-LLVKDONJSA-N 1 1 353.325 3.311 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1ccccc1)C[C@H](C)O ZINC000532970224 503681727 /nfs/dbraw/zinc/68/17/27/503681727.db2.gz BYOLQZAFAMNILB-INIZCTEOSA-N 1 1 371.437 3.115 20 5 FGBDMO CCc1ccc([C@H]([NH2+]C[C@H](O)C2CCOCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543423929 503763946 /nfs/dbraw/zinc/76/39/46/503763946.db2.gz IQUPLRQVEPKIMK-AZUAARDMSA-N 1 1 374.437 3.217 20 5 FGBDMO O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@@H]2CCCCS2(=O)=O)c2ccccc2)c1 ZINC000543426841 503765475 /nfs/dbraw/zinc/76/54/75/503765475.db2.gz LSVBNZNPSCYZBT-OALUTQOASA-N 1 1 374.462 3.241 20 5 FGBDMO Cc1ccc(C[N@@H+](C)CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cc1 ZINC000533225338 503767856 /nfs/dbraw/zinc/76/78/56/503767856.db2.gz XIZFFBVRHDJNBS-UHFFFAOYSA-N 1 1 355.394 3.333 20 5 FGBDMO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1c(C)nn(C)c1C ZINC000543456379 503778119 /nfs/dbraw/zinc/77/81/19/503778119.db2.gz FFTGMENPRJPBGY-MRXNPFEDSA-N 1 1 360.414 3.053 20 5 FGBDMO O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000533364558 503819347 /nfs/dbraw/zinc/81/93/47/503819347.db2.gz QDZIXIXPMFALSS-INIZCTEOSA-N 1 1 358.373 3.130 20 5 FGBDMO O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000533364558 503819351 /nfs/dbraw/zinc/81/93/51/503819351.db2.gz QDZIXIXPMFALSS-INIZCTEOSA-N 1 1 358.373 3.130 20 5 FGBDMO CC(C)NC(=O)c1ccc(NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000518066957 503902801 /nfs/dbraw/zinc/90/28/01/503902801.db2.gz HQMRJKKHXNHNCF-GASCZTMLSA-N 1 1 362.474 3.408 20 5 FGBDMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000518281740 503942985 /nfs/dbraw/zinc/94/29/85/503942985.db2.gz GILDCEBIMXADJB-MRXNPFEDSA-N 1 1 361.373 3.284 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000541053325 503987792 /nfs/dbraw/zinc/98/77/92/503987792.db2.gz DOUFPCWSITYWLA-CQSZACIVSA-N 1 1 351.200 3.181 20 5 FGBDMO COC(=O)c1ccccc1OCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000541122315 504016463 /nfs/dbraw/zinc/01/64/63/504016463.db2.gz OCVQGZCYJMBSHJ-UHFFFAOYSA-N 1 1 370.405 3.425 20 5 FGBDMO COc1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)CC2 ZINC000534101955 504040306 /nfs/dbraw/zinc/04/03/06/504040306.db2.gz AUZOPSCBXHDDFJ-AWEZNQCLSA-N 1 1 369.421 3.031 20 5 FGBDMO COc1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)CC2 ZINC000534101955 504040310 /nfs/dbraw/zinc/04/03/10/504040310.db2.gz AUZOPSCBXHDDFJ-AWEZNQCLSA-N 1 1 369.421 3.031 20 5 FGBDMO Cc1ccc([C@H]2CC[N@@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)cc1 ZINC000544189302 504040515 /nfs/dbraw/zinc/04/05/15/504040515.db2.gz HPJPPJQPVCTIJP-SFHVURJKSA-N 1 1 365.433 3.282 20 5 FGBDMO Cc1cccc([C@H]2CC[N@H+](CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000544191560 504041967 /nfs/dbraw/zinc/04/19/67/504041967.db2.gz PFOIOZYRNQVKJB-KRWDZBQOSA-N 1 1 374.462 3.166 20 5 FGBDMO Cc1cccc([C@H]2CC[N@@H+](CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000544191560 504041975 /nfs/dbraw/zinc/04/19/75/504041975.db2.gz PFOIOZYRNQVKJB-KRWDZBQOSA-N 1 1 374.462 3.166 20 5 FGBDMO Cc1cc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000537833284 504057964 /nfs/dbraw/zinc/05/79/64/504057964.db2.gz JVYLFPNXAZOISX-MJGOQNOKSA-N 1 1 355.438 3.198 20 5 FGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](CC(C)(C)O)C1CCOCC1 ZINC000530939152 504136256 /nfs/dbraw/zinc/13/62/56/504136256.db2.gz LDWKPUFJGIICGT-UHFFFAOYSA-N 1 1 366.458 3.134 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](COc1ccccc1F)c1ccccc1 ZINC000538169321 504152090 /nfs/dbraw/zinc/15/20/90/504152090.db2.gz LSBSTQHKBKQZPQ-MRXNPFEDSA-N 1 1 370.384 3.377 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])C[C@H]1C ZINC000538427660 504244574 /nfs/dbraw/zinc/24/45/74/504244574.db2.gz HZTLLXYGPUNWMR-HZPDHXFCSA-N 1 1 363.458 3.003 20 5 FGBDMO CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000541785682 504253876 /nfs/dbraw/zinc/25/38/76/504253876.db2.gz YPKWVUZFSMBFIX-ZDUSSCGKSA-N 1 1 361.377 3.189 20 5 FGBDMO Cc1cc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000548020051 504299817 /nfs/dbraw/zinc/29/98/17/504299817.db2.gz QSYVVNFSZCHFJW-HNAYVOBHSA-N 1 1 357.458 3.156 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000541935921 504308568 /nfs/dbraw/zinc/30/85/68/504308568.db2.gz KAKXCAYYGAJFQG-WMZOPIPTSA-N 1 1 370.453 3.308 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000541935921 504308574 /nfs/dbraw/zinc/30/85/74/504308574.db2.gz KAKXCAYYGAJFQG-WMZOPIPTSA-N 1 1 370.453 3.308 20 5 FGBDMO CC(C)[N@H+](Cc1ccc(F)cc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000542198990 504403042 /nfs/dbraw/zinc/40/30/42/504403042.db2.gz CFJHXCRARSAKQB-KRWDZBQOSA-N 1 1 362.401 3.384 20 5 FGBDMO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000542278705 504436411 /nfs/dbraw/zinc/43/64/11/504436411.db2.gz IHAKYGQAZKEXTO-NZSAHSFTSA-N 1 1 370.449 3.288 20 5 FGBDMO Cc1cccc([C@H]2CC[N@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)c1 ZINC000542318793 504449491 /nfs/dbraw/zinc/44/94/91/504449491.db2.gz FNMFBIGAPBHKHS-PXNSSMCTSA-N 1 1 365.433 3.498 20 5 FGBDMO COC(=O)c1cccc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000520339537 504471006 /nfs/dbraw/zinc/47/10/06/504471006.db2.gz AATOPUQJKASARS-HNNXBMFYSA-N 1 1 355.394 3.156 20 5 FGBDMO CC(C)[N@@H+](C)CC1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000532288822 504600514 /nfs/dbraw/zinc/60/05/14/504600514.db2.gz TZCREKPSXGKHRA-UHFFFAOYSA-N 1 1 371.279 3.309 20 5 FGBDMO C[C@@H](NC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000536023425 504611737 /nfs/dbraw/zinc/61/17/37/504611737.db2.gz PCQPBWUICWPXNT-ACJLOTCBSA-N 1 1 354.410 3.142 20 5 FGBDMO C[C@@H](NC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000536023425 504611742 /nfs/dbraw/zinc/61/17/42/504611742.db2.gz PCQPBWUICWPXNT-ACJLOTCBSA-N 1 1 354.410 3.142 20 5 FGBDMO Cc1cc(C)cc(OC[C@@H](O)C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000548934409 504626319 /nfs/dbraw/zinc/62/63/19/504626319.db2.gz DYEXBNMCLFHEEW-IBGZPJMESA-N 1 1 358.438 3.126 20 5 FGBDMO Cn1cc(C[N@H+]2CCC[C@@H]2C2CCOCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000539670584 504646641 /nfs/dbraw/zinc/64/66/41/504646641.db2.gz XYJSBUQZHMVGTD-LJQANCHMSA-N 1 1 370.453 3.386 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@@H+](CC)CCc2ccccc2)c([N+](=O)[O-])c1 ZINC000532475145 504661980 /nfs/dbraw/zinc/66/19/80/504661980.db2.gz CIVBEXMUHKYDNA-UHFFFAOYSA-N 1 1 371.437 3.497 20 5 FGBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000536278160 504686312 /nfs/dbraw/zinc/68/63/12/504686312.db2.gz CNXXGLPFTLLACR-FQEVSTJZSA-N 1 1 367.449 3.308 20 5 FGBDMO COc1ccc(C[N@@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000536344729 504704600 /nfs/dbraw/zinc/70/46/00/504704600.db2.gz XLNWYPNNKYDUHP-GJZGRUSLSA-N 1 1 352.456 3.090 20 5 FGBDMO CCN(Cc1cccc(F)c1)C(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000549172987 504712796 /nfs/dbraw/zinc/71/27/96/504712796.db2.gz QIOSQTSFOZFMQZ-UHFFFAOYSA-N 1 1 373.428 3.257 20 5 FGBDMO CCN(Cc1cccc(F)c1)C(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000549172987 504712801 /nfs/dbraw/zinc/71/28/01/504712801.db2.gz QIOSQTSFOZFMQZ-UHFFFAOYSA-N 1 1 373.428 3.257 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000536427525 504731482 /nfs/dbraw/zinc/73/14/82/504731482.db2.gz VLOKCBCBCBHJED-KRWDZBQOSA-N 1 1 363.364 3.262 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000536427525 504731488 /nfs/dbraw/zinc/73/14/88/504731488.db2.gz VLOKCBCBCBHJED-KRWDZBQOSA-N 1 1 363.364 3.262 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3CCc4c3cccc4Cl)CC2)cn1 ZINC000532775825 504755834 /nfs/dbraw/zinc/75/58/34/504755834.db2.gz XSBYVYXAMRDUKE-QGZVFWFLSA-N 1 1 358.829 3.453 20 5 FGBDMO COCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CCO[C@H]1C ZINC000559187181 504798139 /nfs/dbraw/zinc/79/81/39/504798139.db2.gz RADNSBDVPCKHND-NHYWBVRUSA-N 1 1 362.348 3.239 20 5 FGBDMO CC(C)[N@H+]1CC[C@H](N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C2CC2)C1 ZINC000565127178 504801928 /nfs/dbraw/zinc/80/19/28/504801928.db2.gz FRXNHYZYUPEIGQ-KRWDZBQOSA-N 1 1 370.457 3.107 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)c2ncc([N+](=O)[O-])c(C)c2Br)C[C@H]1C ZINC000565391104 504873406 /nfs/dbraw/zinc/87/34/06/504873406.db2.gz UONDFVXEMQJWEM-PWSUYJOCSA-N 1 1 371.279 3.370 20 5 FGBDMO CN1CC[C@H]([N@H+](C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O ZINC000565436316 504886737 /nfs/dbraw/zinc/88/67/37/504886737.db2.gz SMPYOQAQDLQWGN-HNNXBMFYSA-N 1 1 363.801 3.171 20 5 FGBDMO CN1CC[C@H]([N@@H+](C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O ZINC000565436316 504886740 /nfs/dbraw/zinc/88/67/40/504886740.db2.gz SMPYOQAQDLQWGN-HNNXBMFYSA-N 1 1 363.801 3.171 20 5 FGBDMO CC[C@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000549902095 504929905 /nfs/dbraw/zinc/92/99/05/504929905.db2.gz LHKAKTPPURJFEI-LJQANCHMSA-N 1 1 355.438 3.164 20 5 FGBDMO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000553598860 504959371 /nfs/dbraw/zinc/95/93/71/504959371.db2.gz XBSIQOVMRMRODR-GOEBONIOSA-N 1 1 363.458 3.072 20 5 FGBDMO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000565737229 504973352 /nfs/dbraw/zinc/97/33/52/504973352.db2.gz KNXWTPRAJGZUCK-DNVCBOLYSA-N 1 1 353.422 3.296 20 5 FGBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000562906252 504982420 /nfs/dbraw/zinc/98/24/20/504982420.db2.gz ZSBBNGUNCIXQBO-SNVBAGLBSA-N 1 1 360.361 3.046 20 5 FGBDMO COc1ccc(C[NH2+]C2CCN(CCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000553711516 504988918 /nfs/dbraw/zinc/98/89/18/504988918.db2.gz MSURCBLONAPVRC-UHFFFAOYSA-N 1 1 369.465 3.400 20 5 FGBDMO Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c(C)c1 ZINC000556962448 505031982 /nfs/dbraw/zinc/03/19/82/505031982.db2.gz RWUGVTGDINLTTJ-UHFFFAOYSA-N 1 1 353.422 3.170 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]C1CC(C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000554115660 505094333 /nfs/dbraw/zinc/09/43/33/505094333.db2.gz DHQUIFZSNVRBRZ-YIZWMMSDSA-N 1 1 354.332 3.348 20 5 FGBDMO Cc1noc(C)c1C(C)(C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000560540280 505119734 /nfs/dbraw/zinc/11/97/34/505119734.db2.gz NLJUYGYDKKDRNF-UHFFFAOYSA-N 1 1 366.805 3.316 20 5 FGBDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000566360686 505152081 /nfs/dbraw/zinc/15/20/81/505152081.db2.gz ZILIVVRZBAERIY-UHFFFAOYSA-N 1 1 359.426 3.101 20 5 FGBDMO C[C@@H]1C[N@H+](CC2CCN(c3c(F)cccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000557568849 505169796 /nfs/dbraw/zinc/16/97/96/505169796.db2.gz LGLGVONGHPEIRY-OKILXGFUSA-N 1 1 351.422 3.060 20 5 FGBDMO COc1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc(OC)c1O ZINC000554849680 505280967 /nfs/dbraw/zinc/28/09/67/505280967.db2.gz ZYZYKAUIPWLBPM-UHFFFAOYSA-N 1 1 358.394 3.482 20 5 FGBDMO C[NH+](C)[C@H](CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)c1ccco1 ZINC000564302081 505377111 /nfs/dbraw/zinc/37/71/11/505377111.db2.gz KVMIEBPUZAXVCR-GFCCVEGCSA-N 1 1 371.315 3.239 20 5 FGBDMO Cc1nc(C)c(CC[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)s1 ZINC000552046921 505381428 /nfs/dbraw/zinc/38/14/28/505381428.db2.gz WUFUUWSLCSITQX-QGZVFWFLSA-N 1 1 371.466 3.323 20 5 FGBDMO CSc1ccc(C(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000561759935 505428708 /nfs/dbraw/zinc/42/87/08/505428708.db2.gz FKNMLMHIIKKCOU-UMVBOHGHSA-N 1 1 363.483 3.119 20 5 FGBDMO Cn1cc(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000564533730 505443984 /nfs/dbraw/zinc/44/39/84/505443984.db2.gz XHFZCYQETVKLDA-MJGOQNOKSA-N 1 1 370.453 3.385 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000593118678 506404379 /nfs/dbraw/zinc/40/43/79/506404379.db2.gz XNPYHHUNTYIEJR-AWEZNQCLSA-N 1 1 364.295 3.436 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@]3(CC3(F)F)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000593118678 506404384 /nfs/dbraw/zinc/40/43/84/506404384.db2.gz XNPYHHUNTYIEJR-AWEZNQCLSA-N 1 1 364.295 3.436 20 5 FGBDMO CCOc1cccc(N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)c1[N+](=O)[O-] ZINC000596514088 506441661 /nfs/dbraw/zinc/44/16/61/506441661.db2.gz HOYATXJCHJMOOU-IAGOWNOFSA-N 1 1 361.442 3.049 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1[C@H](C)C[N@H+](C)[C@H](C)[C@@H]1C ZINC000593188185 506452505 /nfs/dbraw/zinc/45/25/05/506452505.db2.gz YFEJPRFTBQXVLI-MQYQWHSLSA-N 1 1 351.472 3.015 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1[C@H](C)C[N@@H+](C)[C@H](C)[C@@H]1C ZINC000593188185 506452510 /nfs/dbraw/zinc/45/25/10/506452510.db2.gz YFEJPRFTBQXVLI-MQYQWHSLSA-N 1 1 351.472 3.015 20 5 FGBDMO O=[N+]([O-])c1cc(Cn2cc(C[NH2+][C@@H]3CCc4ccccc43)nn2)cs1 ZINC000603205655 506457674 /nfs/dbraw/zinc/45/76/74/506457674.db2.gz GIDOKBOPCFAKLX-MRXNPFEDSA-N 1 1 355.423 3.073 20 5 FGBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(Cn2cc(C[NH+]3CCCCC3)nn2)c1 ZINC000603234454 506463795 /nfs/dbraw/zinc/46/37/95/506463795.db2.gz IBLXYEYOALUCGU-UHFFFAOYSA-N 1 1 369.347 3.239 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000612174767 506473448 /nfs/dbraw/zinc/47/34/48/506473448.db2.gz SNAFYDGOGDQEES-SCLBCKFNSA-N 1 1 373.384 3.214 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000612174767 506473454 /nfs/dbraw/zinc/47/34/54/506473454.db2.gz SNAFYDGOGDQEES-SCLBCKFNSA-N 1 1 373.384 3.214 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](OCCC(C)C)C2)c1 ZINC000596616930 506491463 /nfs/dbraw/zinc/49/14/63/506491463.db2.gz GAKBRIIBJPRRPW-MRXNPFEDSA-N 1 1 350.415 3.018 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](OCCC(C)C)C2)c1 ZINC000596616930 506491466 /nfs/dbraw/zinc/49/14/66/506491466.db2.gz GAKBRIIBJPRRPW-MRXNPFEDSA-N 1 1 350.415 3.018 20 5 FGBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000603458564 506520381 /nfs/dbraw/zinc/52/03/81/506520381.db2.gz UURLLIJTIIWTHP-KRWDZBQOSA-N 1 1 374.485 3.045 20 5 FGBDMO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])c(OC)c1 ZINC000599599765 506522894 /nfs/dbraw/zinc/52/28/94/506522894.db2.gz DMWBASLWQQNQAX-ZDUSSCGKSA-N 1 1 373.409 3.210 20 5 FGBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000589374082 506532433 /nfs/dbraw/zinc/53/24/33/506532433.db2.gz JLGLAJFCNHEGGE-SFHVURJKSA-N 1 1 354.410 3.465 20 5 FGBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000589374082 506532437 /nfs/dbraw/zinc/53/24/37/506532437.db2.gz JLGLAJFCNHEGGE-SFHVURJKSA-N 1 1 354.410 3.465 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC(F)(F)C[C@H]1C ZINC000599623383 506535004 /nfs/dbraw/zinc/53/50/04/506535004.db2.gz PDKIFTPIQCPGFD-LLVKDONJSA-N 1 1 357.357 3.052 20 5 FGBDMO COc1ccc(NC(=O)CC[N@H+]2CCC(F)(F)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000599621849 506535417 /nfs/dbraw/zinc/53/54/17/506535417.db2.gz ICVGLRHCTPEJNX-LLVKDONJSA-N 1 1 357.357 3.052 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@@H](Oc3cccc(F)c3)C1)OCCO2 ZINC000612404174 506566298 /nfs/dbraw/zinc/56/62/98/506566298.db2.gz JQQVNDOLWRRAJM-MRXNPFEDSA-N 1 1 374.368 3.158 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@@H](Oc3cccc(F)c3)C1)OCCO2 ZINC000612404174 506566306 /nfs/dbraw/zinc/56/63/06/506566306.db2.gz JQQVNDOLWRRAJM-MRXNPFEDSA-N 1 1 374.368 3.158 20 5 FGBDMO CCS[C@H]1CC[C@H]([N@@H+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589501701 506570992 /nfs/dbraw/zinc/57/09/92/506570992.db2.gz WJCXJTJCJAZTAW-GJZGRUSLSA-N 1 1 352.456 3.487 20 5 FGBDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C12CCC2 ZINC000589505385 506572414 /nfs/dbraw/zinc/57/24/14/506572414.db2.gz GHIGPJQVXMNCNS-SJORKVTESA-N 1 1 362.426 3.161 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@H](C)[C@@H]2Cc3ccccc3O2)c1 ZINC000589505491 506572976 /nfs/dbraw/zinc/57/29/76/506572976.db2.gz JTPLAIONHFUWKH-YJYMSZOUSA-N 1 1 370.405 3.205 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@H](C)[C@@H]2Cc3ccccc3O2)c1 ZINC000589505491 506572986 /nfs/dbraw/zinc/57/29/86/506572986.db2.gz JTPLAIONHFUWKH-YJYMSZOUSA-N 1 1 370.405 3.205 20 5 FGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599829447 506661502 /nfs/dbraw/zinc/66/15/02/506661502.db2.gz CSXDINHDLHQYMU-KGLIPLIRSA-N 1 1 369.425 3.234 20 5 FGBDMO CC1(C)CCC[N@@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599834300 506666276 /nfs/dbraw/zinc/66/62/76/506666276.db2.gz FLMQWQHGVWVKRZ-UHFFFAOYSA-N 1 1 371.441 3.387 20 5 FGBDMO COc1ccc(C[NH2+][C@H](Cc2ccccc2)c2nccn2C)cc1[N+](=O)[O-] ZINC000593678043 506726005 /nfs/dbraw/zinc/72/60/05/506726005.db2.gz IYRFFUSVKHQBFV-QGZVFWFLSA-N 1 1 366.421 3.411 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C[C@@H]1C ZINC000597101654 506775680 /nfs/dbraw/zinc/77/56/80/506775680.db2.gz KUBDSVQEEAHDGT-CMPLNLGQSA-N 1 1 369.853 3.167 20 5 FGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000609193246 506808349 /nfs/dbraw/zinc/80/83/49/506808349.db2.gz VSQQGXJSHRTBNZ-OAHLLOKOSA-N 1 1 358.442 3.495 20 5 FGBDMO O=C1CC[C@@H]2C[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC[C@H]2N1 ZINC000597204392 506834575 /nfs/dbraw/zinc/83/45/75/506834575.db2.gz AVWCYSQWYLARBZ-CZUORRHYSA-N 1 1 371.462 3.424 20 5 FGBDMO COCC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(C)cc1C ZINC000604493360 506849419 /nfs/dbraw/zinc/84/94/19/506849419.db2.gz AXDKNHXIQZHLGL-UHFFFAOYSA-N 1 1 371.437 3.299 20 5 FGBDMO COCC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(C)cc1C ZINC000604493360 506849425 /nfs/dbraw/zinc/84/94/25/506849425.db2.gz AXDKNHXIQZHLGL-UHFFFAOYSA-N 1 1 371.437 3.299 20 5 FGBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000600229364 506861701 /nfs/dbraw/zinc/86/17/01/506861701.db2.gz QTJJFTABPBGEEA-AWEZNQCLSA-N 1 1 351.834 3.385 20 5 FGBDMO Cc1ccnc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000594007759 506878199 /nfs/dbraw/zinc/87/81/99/506878199.db2.gz GUSPXPBHRLSRMS-JKSUJKDBSA-N 1 1 368.437 3.423 20 5 FGBDMO Cc1ccnc([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000594007759 506878207 /nfs/dbraw/zinc/87/82/07/506878207.db2.gz GUSPXPBHRLSRMS-JKSUJKDBSA-N 1 1 368.437 3.423 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@H](OC4CCC4)C3)n2)cc1 ZINC000594026771 506893364 /nfs/dbraw/zinc/89/33/64/506893364.db2.gz OZAVLYYDDTWVML-INIZCTEOSA-N 1 1 358.398 3.178 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@H](OC4CCC4)C3)n2)cc1 ZINC000594026771 506893370 /nfs/dbraw/zinc/89/33/70/506893370.db2.gz OZAVLYYDDTWVML-INIZCTEOSA-N 1 1 358.398 3.178 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c2c(c1)COCO2 ZINC000590659548 506898348 /nfs/dbraw/zinc/89/83/48/506898348.db2.gz ACNMDDWEDADQSP-MSOLQXFVSA-N 1 1 374.437 3.242 20 5 FGBDMO Cc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)o1 ZINC000609706080 506978349 /nfs/dbraw/zinc/97/83/49/506978349.db2.gz SYBZAMURDLCMHF-KRWDZBQOSA-N 1 1 355.394 3.222 20 5 FGBDMO Cc1ccc([C@@H]2CCC[N@H+]2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)o1 ZINC000609706080 506978354 /nfs/dbraw/zinc/97/83/54/506978354.db2.gz SYBZAMURDLCMHF-KRWDZBQOSA-N 1 1 355.394 3.222 20 5 FGBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000609732307 506983511 /nfs/dbraw/zinc/98/35/11/506983511.db2.gz PHDJOMJANLPYOV-AWEZNQCLSA-N 1 1 369.849 3.008 20 5 FGBDMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000609767149 506993226 /nfs/dbraw/zinc/99/32/26/506993226.db2.gz QEOSAIXTFJBYLE-MAUKXSAKSA-N 1 1 370.453 3.351 20 5 FGBDMO C[C@H]1CN2CCCC[C@@H]2C[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000609767149 506993230 /nfs/dbraw/zinc/99/32/30/506993230.db2.gz QEOSAIXTFJBYLE-MAUKXSAKSA-N 1 1 370.453 3.351 20 5 FGBDMO C[C@H]1CN2CCCC[C@@H]2C[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000609767149 506993237 /nfs/dbraw/zinc/99/32/37/506993237.db2.gz QEOSAIXTFJBYLE-MAUKXSAKSA-N 1 1 370.453 3.351 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594195973 506999589 /nfs/dbraw/zinc/99/95/89/506999589.db2.gz JORSQDDTSMHOGR-UONOGXRCSA-N 1 1 351.834 3.303 20 5 FGBDMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000609916219 507049121 /nfs/dbraw/zinc/04/91/21/507049121.db2.gz FMZZIYIZHKEKBI-ALKREAHSSA-N 1 1 374.412 3.352 20 5 FGBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000609997374 507065756 /nfs/dbraw/zinc/06/57/56/507065756.db2.gz MZIHMLZEXWRKPV-UHFFFAOYSA-N 1 1 363.483 3.164 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000597713616 507071477 /nfs/dbraw/zinc/07/14/77/507071477.db2.gz DPBFPFLMSZTTDH-KBXCAEBGSA-N 1 1 363.483 3.020 20 5 FGBDMO COc1ccc(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000594344660 507085992 /nfs/dbraw/zinc/08/59/92/507085992.db2.gz JGBCDLHTSCXWQU-HNNXBMFYSA-N 1 1 355.394 3.064 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000597921516 507176152 /nfs/dbraw/zinc/17/61/52/507176152.db2.gz GMGTVXPFEYKGHJ-SNVBAGLBSA-N 1 1 359.348 3.216 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000597924415 507177752 /nfs/dbraw/zinc/17/77/52/507177752.db2.gz QYLGEMFOJVIADK-LLVKDONJSA-N 1 1 359.348 3.216 20 5 FGBDMO 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ZINC000598193978 507306106 /nfs/dbraw/zinc/30/61/06/507306106.db2.gz CPAZEQZPLXIGEJ-IBGZPJMESA-N 1 1 367.449 3.292 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000594919288 507315869 /nfs/dbraw/zinc/31/58/69/507315869.db2.gz HHGSPTMRBGJAEZ-GOSISDBHSA-N 1 1 358.394 3.061 20 5 FGBDMO COc1cc(CN[C@H]2CC[N@H+](C3CCCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000594978829 507340173 /nfs/dbraw/zinc/34/01/73/507340173.db2.gz XCWWYTJIYSBGGA-HNNXBMFYSA-N 1 1 363.458 3.109 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cc2ccccc2n(C)c1=O ZINC000595040712 507364632 /nfs/dbraw/zinc/36/46/32/507364632.db2.gz ZXRKIIDYVLCAEY-CYBMUJFWSA-N 1 1 367.405 3.306 20 5 FGBDMO CC(C)(C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000598511509 507467924 /nfs/dbraw/zinc/46/79/24/507467924.db2.gz PJGLFYYEDTWEPB-QGZVFWFLSA-N 1 1 367.449 3.263 20 5 FGBDMO CC(C)(C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000598511509 507467929 /nfs/dbraw/zinc/46/79/29/507467929.db2.gz 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O=[N+]([O-])c1ncccc1N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000611193674 507557342 /nfs/dbraw/zinc/55/73/42/507557342.db2.gz SMHWSXKDFQMKFQ-UHFFFAOYSA-N 1 1 352.438 3.482 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[N@H+](CCO[C@@H]1CC1(F)F)[C@H]1CC[C@H](O)CC1 ZINC000595561245 507562280 /nfs/dbraw/zinc/56/22/80/507562280.db2.gz CYDNIVHLTNMJRN-BFYDXBDKSA-N 1 1 370.396 3.125 20 5 FGBDMO CCOc1cc(C[NH2+][C@@H](COC)c2cccc(OC)c2)ccc1[N+](=O)[O-] ZINC000595685408 507626984 /nfs/dbraw/zinc/62/69/84/507626984.db2.gz XWKVSKIYFGLELU-KRWDZBQOSA-N 1 1 360.410 3.479 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000595728114 507650139 /nfs/dbraw/zinc/65/01/39/507650139.db2.gz JETQJCSOODIBEF-OAGGEKHMSA-N 1 1 350.390 3.288 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)[C@H]2CCCC[C@@H]12 ZINC000595730476 507651875 /nfs/dbraw/zinc/65/18/75/507651875.db2.gz JFQVYFDQHXFNGM-XHSDSOJGSA-N 1 1 362.426 3.157 20 5 FGBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000598889067 507665545 /nfs/dbraw/zinc/66/55/45/507665545.db2.gz SCVKZDKWPTUBQM-UHFFFAOYSA-N 1 1 361.364 3.464 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC([C@@H]4CCCCO4)CC3)o2)cc1 ZINC000595786277 507683092 /nfs/dbraw/zinc/68/30/92/507683092.db2.gz HJIMPAIWLBACOK-KRWDZBQOSA-N 1 1 372.425 3.426 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595788320 507684773 /nfs/dbraw/zinc/68/47/73/507684773.db2.gz IYMLSFDABFUSQQ-QAPCUYQASA-N 1 1 361.442 3.123 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595788320 507684775 /nfs/dbraw/zinc/68/47/75/507684775.db2.gz IYMLSFDABFUSQQ-QAPCUYQASA-N 1 1 361.442 3.123 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)c1 ZINC000592518226 507691372 /nfs/dbraw/zinc/69/13/72/507691372.db2.gz NBHYIEGXBISFRH-KRWDZBQOSA-N 1 1 356.378 3.035 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](Oc3ccccc3)C2)c1 ZINC000592518226 507691378 /nfs/dbraw/zinc/69/13/78/507691378.db2.gz NBHYIEGXBISFRH-KRWDZBQOSA-N 1 1 356.378 3.035 20 5 FGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000595832452 507707484 /nfs/dbraw/zinc/70/74/84/507707484.db2.gz QYADCDUDDAQIAW-KBXCAEBGSA-N 1 1 355.394 3.075 20 5 FGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000595832452 507707486 /nfs/dbraw/zinc/70/74/86/507707486.db2.gz QYADCDUDDAQIAW-KBXCAEBGSA-N 1 1 355.394 3.075 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@H]3CCN(c4ccccc4)C3)C2)nc1 ZINC000602472100 507718450 /nfs/dbraw/zinc/71/84/50/507718450.db2.gz GQAQNTAJEOVFPU-IAGOWNOFSA-N 1 1 367.453 3.003 20 5 FGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000611526996 507723455 /nfs/dbraw/zinc/72/34/55/507723455.db2.gz OIHNPBBJRAKXTQ-UHFFFAOYSA-N 1 1 372.425 3.273 20 5 FGBDMO O=[N+]([O-])c1ccc2oc(CNc3cccc(C[NH+]4CCOCC4)c3)nc2c1 ZINC000602495292 507727754 /nfs/dbraw/zinc/72/77/54/507727754.db2.gz XDCPDFLXAIMQLZ-UHFFFAOYSA-N 1 1 368.393 3.180 20 5 FGBDMO C[NH+](C)[C@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc(F)cc1 ZINC000602517033 507734368 /nfs/dbraw/zinc/73/43/68/507734368.db2.gz AGGUEVZCBXJJKQ-MRXNPFEDSA-N 1 1 358.373 3.268 20 5 FGBDMO C[NH+](C)[C@@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc(F)cc1 ZINC000602517032 507735447 /nfs/dbraw/zinc/73/54/47/507735447.db2.gz AGGUEVZCBXJJKQ-INIZCTEOSA-N 1 1 358.373 3.268 20 5 FGBDMO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(-c2nn[nH]n2)cc1F ZINC000824531287 609345648 /nfs/dbraw/zinc/34/56/48/609345648.db2.gz OPVKWKYMFWCVNU-GHMZBOCLSA-N 1 1 356.361 3.326 20 5 FGBDMO COC(=O)[C@@H](C)C[N@H+](Cn1c2cc([N+](=O)[O-])ccc2oc1=S)C1CC1 ZINC000102652876 700477020 /nfs/dbraw/zinc/47/70/20/700477020.db2.gz UNBHFDKWVHWRQT-JTQLQIEISA-N 1 1 365.411 3.103 20 5 FGBDMO COC(=O)[C@@H](C)C[N@@H+](Cn1c2cc([N+](=O)[O-])ccc2oc1=S)C1CC1 ZINC000102652876 700477022 /nfs/dbraw/zinc/47/70/22/700477022.db2.gz UNBHFDKWVHWRQT-JTQLQIEISA-N 1 1 365.411 3.103 20 5 FGBDMO CCc1nc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000107715511 700519379 /nfs/dbraw/zinc/51/93/79/700519379.db2.gz BOUFLPHSOXRLOF-UHFFFAOYSA-N 1 1 357.439 3.304 20 5 FGBDMO CS[C@H]1CCCC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000134602563 704827574 /nfs/dbraw/zinc/82/75/74/704827574.db2.gz POYOFZGRYNOEFB-LBPRGKRZSA-N 1 1 357.863 3.404 20 5 FGBDMO CS[C@H]1CCCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000134602563 704827576 /nfs/dbraw/zinc/82/75/76/704827576.db2.gz POYOFZGRYNOEFB-LBPRGKRZSA-N 1 1 357.863 3.404 20 5 FGBDMO COc1ccc([C@@H](CO)[N@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000153921144 705016388 /nfs/dbraw/zinc/01/63/88/705016388.db2.gz QGTFLNRLQAPMMS-QGZVFWFLSA-N 1 1 350.802 3.422 20 5 FGBDMO COc1ccc([C@@H](CO)[N@@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000153921144 705016394 /nfs/dbraw/zinc/01/63/94/705016394.db2.gz QGTFLNRLQAPMMS-QGZVFWFLSA-N 1 1 350.802 3.422 20 5 FGBDMO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000174836839 705522367 /nfs/dbraw/zinc/52/23/67/705522367.db2.gz QRSMPQBPXWMGJE-ZDUSSCGKSA-N 1 1 353.850 3.377 20 5 FGBDMO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000174836839 705522371 /nfs/dbraw/zinc/52/23/71/705522371.db2.gz QRSMPQBPXWMGJE-ZDUSSCGKSA-N 1 1 353.850 3.377 20 5 FGBDMO COc1ccc([C@H](CO)[N@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000174860995 705523197 /nfs/dbraw/zinc/52/31/97/705523197.db2.gz CUZUYRONOLFEDP-KRWDZBQOSA-N 1 1 350.802 3.422 20 5 FGBDMO COc1ccc([C@H](CO)[N@@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000174860995 705523198 /nfs/dbraw/zinc/52/31/98/705523198.db2.gz CUZUYRONOLFEDP-KRWDZBQOSA-N 1 1 350.802 3.422 20 5 FGBDMO COCC[N@H+](C)CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000237261187 713589694 /nfs/dbraw/zinc/58/96/94/713589694.db2.gz PBQOLPLQFSCWTH-UHFFFAOYSA-N 1 1 367.833 3.176 20 5 FGBDMO COCC[N@@H+](C)CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000237261187 713589697 /nfs/dbraw/zinc/58/96/97/713589697.db2.gz PBQOLPLQFSCWTH-UHFFFAOYSA-N 1 1 367.833 3.176 20 5 FGBDMO C[N@H+]1CCC[C@H]2CN(Cn3c4cc([N+](=O)[O-])ccc4oc3=S)CC[C@H]21 ZINC000247083081 713635730 /nfs/dbraw/zinc/63/57/30/713635730.db2.gz OXZWBJPKMMBFGW-GXTWGEPZSA-N 1 1 362.455 3.246 20 5 FGBDMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000804535535 724526253 /nfs/dbraw/zinc/52/62/53/724526253.db2.gz SQNLHVNDBWMYMS-UHFFFAOYSA-N 1 1 359.813 3.205 20 5 FGBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc([N+](=O)[O-])ccn3)C[C@@H]21 ZINC001165020348 721800720 /nfs/dbraw/zinc/80/07/20/721800720.db2.gz FFQYFTJVVIUEHU-ZYSHUDEJSA-N 1 1 367.453 3.122 20 5 FGBDMO CC(C)[N@H+]1CCCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CC1 ZINC000727824381 722447682 /nfs/dbraw/zinc/44/76/82/722447682.db2.gz VRKAMJFVLOUNFU-UHFFFAOYSA-N 1 1 350.444 3.246 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CCC(c3[nH]cc[nH+]3)CC2)c(Br)c1 ZINC000742399806 722556857 /nfs/dbraw/zinc/55/68/57/722556857.db2.gz SVRRPVRNDAIYCX-UHFFFAOYSA-N 1 1 351.204 3.464 20 5 FGBDMO CCN(CC)C(=O)[C@H](Cc1ccccc1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000748815994 722705682 /nfs/dbraw/zinc/70/56/82/722705682.db2.gz NCWUMGCWKIZTFC-INIZCTEOSA-N 1 1 361.467 3.226 20 5 FGBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790670688 723166136 /nfs/dbraw/zinc/16/61/36/723166136.db2.gz ZVRUEAIONBMODL-TXEJJXNPSA-N 1 1 371.840 3.309 20 5 FGBDMO Cc1cc[nH+]c(N2CCN(c3nc4ccc([N+](=O)[O-])cc4s3)CC2)c1 ZINC000765586100 723525502 /nfs/dbraw/zinc/52/55/02/723525502.db2.gz MEHFRMCXMZGKQA-UHFFFAOYSA-N 1 1 355.423 3.235 20 5 FGBDMO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000795130332 723566036 /nfs/dbraw/zinc/56/60/36/723566036.db2.gz KVFLNWCDVLAXFV-KBPBESRZSA-N 1 1 367.471 3.488 20 5 FGBDMO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000795130332 723566038 /nfs/dbraw/zinc/56/60/38/723566038.db2.gz KVFLNWCDVLAXFV-KBPBESRZSA-N 1 1 367.471 3.488 20 5 FGBDMO COc1cc([N+](=O)[O-])c(C(=O)OCCCn2cc[nH+]c2C)cc1SC ZINC000767621758 723625861 /nfs/dbraw/zinc/62/58/61/723625861.db2.gz OPXKSTAGGDIZLZ-UHFFFAOYSA-N 1 1 365.411 3.077 20 5 FGBDMO C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1nc(C(F)(F)F)cs1 ZINC000768217275 723650839 /nfs/dbraw/zinc/65/08/39/723650839.db2.gz LMGHUIURWYNVAZ-KCJUWKMLSA-N 1 1 361.345 3.454 20 5 FGBDMO C[C@H]1C[C@H](N(C)Cc2c(Br)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000769485372 723687009 /nfs/dbraw/zinc/68/70/09/723687009.db2.gz OUJCBCAMPQEAPJ-NWDGAFQWSA-N 1 1 356.264 3.272 20 5 FGBDMO COC(=O)[C@]1(F)CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000769562561 723689844 /nfs/dbraw/zinc/68/98/44/723689844.db2.gz ARRTZNRTQFXETM-KRWDZBQOSA-N 1 1 364.398 3.410 20 5 FGBDMO COC(=O)[C@]1(F)CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000769562561 723689845 /nfs/dbraw/zinc/68/98/45/723689845.db2.gz ARRTZNRTQFXETM-KRWDZBQOSA-N 1 1 364.398 3.410 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C)C1 ZINC000769999587 723702898 /nfs/dbraw/zinc/70/28/98/723702898.db2.gz YEMBSLLKFDSBMM-FZMZJTMJSA-N 1 1 354.838 3.442 20 5 FGBDMO Cc1[nH+]ccn1CCOC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000771937286 723745975 /nfs/dbraw/zinc/74/59/75/723745975.db2.gz LJFYFXJNZNSUTL-UHFFFAOYSA-N 1 1 358.379 3.080 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)OCC[NH+]1CCSCC1 ZINC000775256234 723974281 /nfs/dbraw/zinc/97/42/81/723974281.db2.gz WTTFWXDRVXZELA-UHFFFAOYSA-N 1 1 370.496 3.301 20 5 FGBDMO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000776275265 724127323 /nfs/dbraw/zinc/12/73/23/724127323.db2.gz GMFYGOUMUJHNRY-SFHVURJKSA-N 1 1 361.829 3.104 20 5 FGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)c2cccc(Br)c2)cc1F ZINC000801538390 724311240 /nfs/dbraw/zinc/31/12/40/724311240.db2.gz FIUYEKJGNLEDCS-CQSZACIVSA-N 1 1 369.190 3.320 20 5 FGBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000784484376 724857404 /nfs/dbraw/zinc/85/74/04/724857404.db2.gz YTZICJJHRDAPDB-ZDUSSCGKSA-N 1 1 354.332 3.300 20 5 FGBDMO C[C@@H]1CN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000785836686 724941489 /nfs/dbraw/zinc/94/14/89/724941489.db2.gz BFLKKJLCWZZSTI-BDAKNGLRSA-N 1 1 362.308 3.051 20 5 FGBDMO C[C@@H]1CN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000785836686 724941490 /nfs/dbraw/zinc/94/14/90/724941490.db2.gz BFLKKJLCWZZSTI-BDAKNGLRSA-N 1 1 362.308 3.051 20 5 FGBDMO CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000788476030 725066426 /nfs/dbraw/zinc/06/64/26/725066426.db2.gz MHLSASNOGOBTNA-ZFWWWQNUSA-N 1 1 351.422 3.251 20 5 FGBDMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000788475565 725066508 /nfs/dbraw/zinc/06/65/08/725066508.db2.gz FCSYVKFCIPSPPK-HIFRSBDPSA-N 1 1 351.422 3.251 20 5 FGBDMO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C1CCN(c2cnccn2)CC1 ZINC000789364490 725124338 /nfs/dbraw/zinc/12/43/38/725124338.db2.gz AOCWAJJQGWIYQW-UHFFFAOYSA-N 1 1 361.833 3.139 20 5 FGBDMO CN(Cc1ncc(C[NH+](C)C)s1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000809540788 725245815 /nfs/dbraw/zinc/24/58/15/725245815.db2.gz IGLWIYSYIZEFPG-UHFFFAOYSA-N 1 1 354.863 3.398 20 5 FGBDMO O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CN1 ZINC000809968527 725279322 /nfs/dbraw/zinc/27/93/22/725279322.db2.gz DHNDRPPZSJWRFA-QMTHXVAHSA-N 1 1 372.252 3.392 20 5 FGBDMO O=C1C[C@@H]([C@H]2CCCC[N@@H+]2Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CN1 ZINC000809968527 725279325 /nfs/dbraw/zinc/27/93/25/725279325.db2.gz DHNDRPPZSJWRFA-QMTHXVAHSA-N 1 1 372.252 3.392 20 5 FGBDMO CC[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCOC(C)(C)C1 ZINC000810043568 725284389 /nfs/dbraw/zinc/28/43/89/725284389.db2.gz XLYKHOXUBOVQCH-ZDUSSCGKSA-N 1 1 369.849 3.466 20 5 FGBDMO O=C(O[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000810842675 725330587 /nfs/dbraw/zinc/33/05/87/725330587.db2.gz AYWQORAQYIAHAB-TZMCWYRMSA-N 1 1 369.215 3.141 20 5 FGBDMO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813014462 726830890 /nfs/dbraw/zinc/83/08/90/726830890.db2.gz IEUWEYNJDKXKCD-CYBMUJFWSA-N 1 1 360.241 3.314 20 5 FGBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813014462 726830893 /nfs/dbraw/zinc/83/08/93/726830893.db2.gz IEUWEYNJDKXKCD-CYBMUJFWSA-N 1 1 360.241 3.314 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](CCO)CC2)ccc1Br ZINC000817296008 727237755 /nfs/dbraw/zinc/23/77/55/727237755.db2.gz CDNOWFNNDXNQMS-GFCCVEGCSA-N 1 1 357.248 3.342 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](CCO)CC2)ccc1Br ZINC000817296008 727237758 /nfs/dbraw/zinc/23/77/58/727237758.db2.gz CDNOWFNNDXNQMS-GFCCVEGCSA-N 1 1 357.248 3.342 20 5 FGBDMO O=CN1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000827871501 729436278 /nfs/dbraw/zinc/43/62/78/729436278.db2.gz CHBXPYPZESRCDG-UHFFFAOYSA-N 1 1 363.801 3.172 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)cc1Cl ZINC000836461331 729956522 /nfs/dbraw/zinc/95/65/22/729956522.db2.gz CMBVKZOMLXHWLV-WCQYABFASA-N 1 1 353.850 3.407 20 5 FGBDMO C[C@H]1CC[C@H](C)[NH+]1CC(=O)OCc1cccc([N+](=O)[O-])c1Br ZINC000840520315 730150825 /nfs/dbraw/zinc/15/08/25/730150825.db2.gz QOZGSXZBIFGDCK-QWRGUYRKSA-N 1 1 371.231 3.273 20 5 FGBDMO C[C@@H]1[C@H](COC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@H+]1C ZINC000845815471 730898913 /nfs/dbraw/zinc/89/89/13/730898913.db2.gz DTVZYXGSLBNBEI-YPMHNXCESA-N 1 1 361.423 3.215 20 5 FGBDMO CC(C)[N@H+](CC(=O)Nc1ccc(Cl)nc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000851736516 731489255 /nfs/dbraw/zinc/48/92/55/731489255.db2.gz RVSGZMXSNHVBEJ-UHFFFAOYSA-N 1 1 362.817 3.492 20 5 FGBDMO CC(C)[N@@H+](CC(=O)Nc1ccc(Cl)nc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000851736516 731489257 /nfs/dbraw/zinc/48/92/57/731489257.db2.gz RVSGZMXSNHVBEJ-UHFFFAOYSA-N 1 1 362.817 3.492 20 5 FGBDMO C[C@@]12COC[C@]1(C)C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C2 ZINC000852459954 731586383 /nfs/dbraw/zinc/58/63/83/731586383.db2.gz IXMKDNSSQYPCLM-GASCZTMLSA-N 1 1 355.232 3.216 20 5 FGBDMO C[C@@]12COC[C@]1(C)C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C2 ZINC000852459954 731586387 /nfs/dbraw/zinc/58/63/87/731586387.db2.gz IXMKDNSSQYPCLM-GASCZTMLSA-N 1 1 355.232 3.216 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@@H]2CCCC[C@H]12 ZINC000852498058 731593509 /nfs/dbraw/zinc/59/35/09/731593509.db2.gz ZMYHEHCSTSKDPO-BFYDXBDKSA-N 1 1 350.390 3.288 20 5 FGBDMO COc1cc(N2CCC[C@H](c3[nH+]ccn3C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000853542246 731720313 /nfs/dbraw/zinc/72/03/13/731720313.db2.gz YPFMABDGOMMNBX-NSHDSACASA-N 1 1 350.806 3.374 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000860297167 732492149 /nfs/dbraw/zinc/49/21/49/732492149.db2.gz NNNQEMSGYNBOSQ-CYBMUJFWSA-N 1 1 353.850 3.346 20 5 FGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865452782 733204237 /nfs/dbraw/zinc/20/42/37/733204237.db2.gz YBUFROSQNVLJDS-GUTXKFCHSA-N 1 1 351.422 3.068 20 5 FGBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000874832795 735936844 /nfs/dbraw/zinc/93/68/44/735936844.db2.gz HBYSBLRIEWHIRD-QWHCGFSZSA-N 1 1 369.874 3.035 20 5 FGBDMO CO[C@@H]1CC[C@@H](C)[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000879324696 736980535 /nfs/dbraw/zinc/98/05/35/736980535.db2.gz DXBJTMQJIDJFLT-ZYHUDNBSSA-N 1 1 366.805 3.298 20 5 FGBDMO CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000879324696 736980536 /nfs/dbraw/zinc/98/05/36/736980536.db2.gz DXBJTMQJIDJFLT-ZYHUDNBSSA-N 1 1 366.805 3.298 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879558096 737005861 /nfs/dbraw/zinc/00/58/61/737005861.db2.gz GZSCLKFKYOIWMY-WOPDTQHZSA-N 1 1 369.874 3.260 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879558096 737005870 /nfs/dbraw/zinc/00/58/70/737005870.db2.gz GZSCLKFKYOIWMY-WOPDTQHZSA-N 1 1 369.874 3.260 20 5 FGBDMO Cc1csc([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000880007431 737097299 /nfs/dbraw/zinc/09/72/99/737097299.db2.gz HIILQJZCOCOZIA-CHWSQXEVSA-N 1 1 360.439 3.176 20 5 FGBDMO Cc1csc([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000880007431 737097303 /nfs/dbraw/zinc/09/73/03/737097303.db2.gz HIILQJZCOCOZIA-CHWSQXEVSA-N 1 1 360.439 3.176 20 5 FGBDMO Cc1csc(C[C@@H]2CCC[N@@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000886691839 739285494 /nfs/dbraw/zinc/28/54/94/739285494.db2.gz NRPWXPYWEVQAGW-WMLDXEAASA-N 1 1 361.467 3.348 20 5 FGBDMO COc1c(O)ccc(C[N@H+]2CCC[C@H](OC3CCC3)CC2)c1[N+](=O)[O-] ZINC000895822666 742458212 /nfs/dbraw/zinc/45/82/12/742458212.db2.gz KWSVJIDGKYIAKW-HNNXBMFYSA-N 1 1 350.415 3.233 20 5 FGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000895837563 742460267 /nfs/dbraw/zinc/46/02/67/742460267.db2.gz NBWRTIMNROWQKE-GFCCVEGCSA-N 1 1 372.265 3.360 20 5 FGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000895837563 742460270 /nfs/dbraw/zinc/46/02/70/742460270.db2.gz NBWRTIMNROWQKE-GFCCVEGCSA-N 1 1 372.265 3.360 20 5 FGBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895847248 742462815 /nfs/dbraw/zinc/46/28/15/742462815.db2.gz UABXOJVKHDDYSD-ABAIWWIYSA-N 1 1 355.232 3.358 20 5 FGBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000895879887 742465738 /nfs/dbraw/zinc/46/57/38/742465738.db2.gz LOUNQLGHFLJRRU-ZETCQYMHSA-N 1 1 362.188 3.007 20 5 FGBDMO CC(C)(C)[N@H+]1CCCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000900430070 743112418 /nfs/dbraw/zinc/11/24/18/743112418.db2.gz RBPLXRFBVXTNGQ-UHFFFAOYSA-N 1 1 357.813 3.334 20 5 FGBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000906839891 744164129 /nfs/dbraw/zinc/16/41/29/744164129.db2.gz KCLYRVNZIIPYAO-AWEZNQCLSA-N 1 1 367.877 3.371 20 5 FGBDMO O=[N+]([O-])c1ccc(Br)c(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000930071790 760522755 /nfs/dbraw/zinc/52/27/55/760522755.db2.gz LMFGNBTWZRHIOA-NWDGAFQWSA-N 1 1 355.232 3.216 20 5 FGBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000931117148 760782431 /nfs/dbraw/zinc/78/24/31/760782431.db2.gz NAAIWKUNUJMXPY-CQSZACIVSA-N 1 1 367.877 3.417 20 5 FGBDMO COC(=O)c1cnc([C@H]2CC[N@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)s1 ZINC000932660335 761211627 /nfs/dbraw/zinc/21/16/27/761211627.db2.gz PCTHFFLYTXIFMI-AAEUAGOBSA-N 1 1 361.423 3.388 20 5 FGBDMO C[N@H+]1CCC[C@H]2CN(C(=O)CCc3c(Cl)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000934890397 761740974 /nfs/dbraw/zinc/74/09/74/761740974.db2.gz MYYVCJWNOPEVNO-BBRMVZONSA-N 1 1 365.861 3.124 20 5 FGBDMO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000106109708 209270957 /nfs/dbraw/zinc/27/09/57/209270957.db2.gz JIEGDUWCEUSTPG-GOSISDBHSA-N 1 1 353.422 3.298 20 5 FGBDMO CC[C@H](CNC(=O)c1ccc(C)c([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000032446234 208028363 /nfs/dbraw/zinc/02/83/63/208028363.db2.gz KHTKDEGOSHXOMD-LJQANCHMSA-N 1 1 367.449 3.470 20 5 FGBDMO COC[C@@H]1CCCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000376369045 257466373 /nfs/dbraw/zinc/46/63/73/257466373.db2.gz NVXLSSOKHLBZRK-QWHCGFSZSA-N 1 1 369.849 3.324 20 5 FGBDMO COC[C@@H]1CCCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000376369045 257466374 /nfs/dbraw/zinc/46/63/74/257466374.db2.gz NVXLSSOKHLBZRK-QWHCGFSZSA-N 1 1 369.849 3.324 20 5 FGBDMO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000571102482 505654017 /nfs/dbraw/zinc/65/40/17/505654017.db2.gz NKXYZLNNDDYMHH-NVXWUHKLSA-N 1 1 353.422 3.294 20 5 FGBDMO O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000068256716 493786155 /nfs/dbraw/zinc/78/61/55/493786155.db2.gz XZTIRWZGPCKAFJ-QGZVFWFLSA-N 1 1 371.412 3.262 20 5 FGBDMO Cc1cccnc1NC(=O)[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000080929125 493792847 /nfs/dbraw/zinc/79/28/47/493792847.db2.gz JOMITFWWMIMODO-QGZVFWFLSA-N 1 1 368.437 3.191 20 5 FGBDMO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000081123340 493835773 /nfs/dbraw/zinc/83/57/73/493835773.db2.gz VKNZYBQVUZXIMQ-KBPBESRZSA-N 1 1 351.834 3.081 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000029536833 493843031 /nfs/dbraw/zinc/84/30/31/493843031.db2.gz LXNWBJDZOANSAH-LJQANCHMSA-N 1 1 369.421 3.305 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000029536833 493843036 /nfs/dbraw/zinc/84/30/36/493843036.db2.gz LXNWBJDZOANSAH-LJQANCHMSA-N 1 1 369.421 3.305 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000076493701 493905597 /nfs/dbraw/zinc/90/55/97/493905597.db2.gz WPQGDCXAZWBNEA-MRXNPFEDSA-N 1 1 353.422 3.250 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000076493701 493905600 /nfs/dbraw/zinc/90/56/00/493905600.db2.gz WPQGDCXAZWBNEA-MRXNPFEDSA-N 1 1 353.422 3.250 20 5 FGBDMO C[C@H]1CCC[N@@H+](CCNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000050579633 493922457 /nfs/dbraw/zinc/92/24/57/493922457.db2.gz KJXOSEVYTNSFST-ZDUSSCGKSA-N 1 1 374.466 3.180 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](Nc3ccccc3)C2)c2c(c1)COCO2 ZINC000076756457 493965966 /nfs/dbraw/zinc/96/59/66/493965966.db2.gz VXFKATPCODTTDW-KRWDZBQOSA-N 1 1 355.394 3.148 20 5 FGBDMO Cc1cc(C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)ccc1[N+](=O)[O-] ZINC000031964635 493968277 /nfs/dbraw/zinc/96/82/77/493968277.db2.gz XBBHSWVBKWUMCE-CYBMUJFWSA-N 1 1 359.451 3.141 20 5 FGBDMO Cc1cc(C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)ccc1[N+](=O)[O-] ZINC000031964635 493968282 /nfs/dbraw/zinc/96/82/82/493968282.db2.gz XBBHSWVBKWUMCE-CYBMUJFWSA-N 1 1 359.451 3.141 20 5 FGBDMO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000076808819 493974811 /nfs/dbraw/zinc/97/48/11/493974811.db2.gz OWCJRRPKOYWLMK-LRDDRELGSA-N 1 1 357.385 3.211 20 5 FGBDMO CC[N@@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000051555133 493974904 /nfs/dbraw/zinc/97/49/04/493974904.db2.gz NZUFEXOEABIQFH-LBPRGKRZSA-N 1 1 360.357 3.206 20 5 FGBDMO CC[N@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000051555133 493974910 /nfs/dbraw/zinc/97/49/10/493974910.db2.gz NZUFEXOEABIQFH-LBPRGKRZSA-N 1 1 360.357 3.206 20 5 FGBDMO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccc2c(c1)OCO2 ZINC000083133361 493998966 /nfs/dbraw/zinc/99/89/66/493998966.db2.gz DEHOEYQBTSQYAQ-UHFFFAOYSA-N 1 1 355.350 3.487 20 5 FGBDMO CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccc2c(c1)OCO2 ZINC000083133361 493998969 /nfs/dbraw/zinc/99/89/69/493998969.db2.gz DEHOEYQBTSQYAQ-UHFFFAOYSA-N 1 1 355.350 3.487 20 5 FGBDMO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](c2ccccc2)O1 ZINC000070695762 494048353 /nfs/dbraw/zinc/04/83/53/494048353.db2.gz MRNAVBXFWGFQFF-HNAYVOBHSA-N 1 1 369.421 3.385 20 5 FGBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](c2ccccc2)O1 ZINC000070695762 494048357 /nfs/dbraw/zinc/04/83/57/494048357.db2.gz MRNAVBXFWGFQFF-HNAYVOBHSA-N 1 1 369.421 3.385 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)CCCc1ccccc1 ZINC000052802437 494062249 /nfs/dbraw/zinc/06/22/49/494062249.db2.gz SDTRGZXEGBGVFW-HNNXBMFYSA-N 1 1 371.437 3.495 20 5 FGBDMO CC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccc(OC)cc1 ZINC000053087290 494091686 /nfs/dbraw/zinc/09/16/86/494091686.db2.gz PCBFNBZVGYIIBF-UHFFFAOYSA-N 1 1 369.421 3.015 20 5 FGBDMO CC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccc(OC)cc1 ZINC000053087290 494091689 /nfs/dbraw/zinc/09/16/89/494091689.db2.gz PCBFNBZVGYIIBF-UHFFFAOYSA-N 1 1 369.421 3.015 20 5 FGBDMO CC(C)[N@@H+](C)Cc1ccccc1CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000071954786 494111052 /nfs/dbraw/zinc/11/10/52/494111052.db2.gz OSXPAFGYQFQGRO-UHFFFAOYSA-N 1 1 356.426 3.146 20 5 FGBDMO COc1ccccc1NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350507 494116538 /nfs/dbraw/zinc/11/65/38/494116538.db2.gz FYLKUOBUYPTUKH-UHFFFAOYSA-N 1 1 357.410 3.453 20 5 FGBDMO COc1ccccc1NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350507 494116542 /nfs/dbraw/zinc/11/65/42/494116542.db2.gz FYLKUOBUYPTUKH-UHFFFAOYSA-N 1 1 357.410 3.453 20 5 FGBDMO Cc1cccc(NC2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)CC2)[nH+]1 ZINC000087368501 494197678 /nfs/dbraw/zinc/19/76/78/494197678.db2.gz GTMRJCNLCAJLCQ-UHFFFAOYSA-N 1 1 368.437 3.334 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H]1CCc2ccccc2C1 ZINC000072634793 494221465 /nfs/dbraw/zinc/22/14/65/494221465.db2.gz WDPPUNHMRRDIIJ-KRWDZBQOSA-N 1 1 353.422 3.331 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718499 494239287 /nfs/dbraw/zinc/23/92/87/494239287.db2.gz KANADYDXFYUGIP-QGZVFWFLSA-N 1 1 374.485 3.040 20 5 FGBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000054625016 494254044 /nfs/dbraw/zinc/25/40/44/494254044.db2.gz BCWSHAFYURTRPV-NSHDSACASA-N 1 1 358.423 3.381 20 5 FGBDMO CCS[C@@H]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000072838056 494261573 /nfs/dbraw/zinc/26/15/73/494261573.db2.gz HGROMXYPOPZPOK-GXTWGEPZSA-N 1 1 367.471 3.148 20 5 FGBDMO CCS[C@H]1CC[C@@H]([N@@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000072838245 494261754 /nfs/dbraw/zinc/26/17/54/494261754.db2.gz UEISUBFZQFQVLI-KGLIPLIRSA-N 1 1 351.472 3.448 20 5 FGBDMO COc1cc(N[C@@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1[N+](=O)[O-] ZINC000078302775 494274454 /nfs/dbraw/zinc/27/44/54/494274454.db2.gz DITGXMOLAFFSMO-MGPUTAFESA-N 1 1 371.437 3.305 20 5 FGBDMO COc1cc(N[C@@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1[N+](=O)[O-] ZINC000078302775 494274455 /nfs/dbraw/zinc/27/44/55/494274455.db2.gz DITGXMOLAFFSMO-MGPUTAFESA-N 1 1 371.437 3.305 20 5 FGBDMO Cc1nc(C[NH+]2CCC(CNc3ncc([N+](=O)[O-])cc3C)CC2)oc1C ZINC000078620425 494331953 /nfs/dbraw/zinc/33/19/53/494331953.db2.gz JVRUSAHXIWKHMM-UHFFFAOYSA-N 1 1 359.430 3.227 20 5 FGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCOc1ccc(F)cc1 ZINC000015101392 494338955 /nfs/dbraw/zinc/33/89/55/494338955.db2.gz CWBOCBLXTBNDDJ-CYBMUJFWSA-N 1 1 361.373 3.072 20 5 FGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CCOc1ccc(F)cc1 ZINC000015101392 494338959 /nfs/dbraw/zinc/33/89/59/494338959.db2.gz CWBOCBLXTBNDDJ-CYBMUJFWSA-N 1 1 361.373 3.072 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@H+](C)Cc2ccccc2C)c([N+](=O)[O-])c1 ZINC000016585934 494395141 /nfs/dbraw/zinc/39/51/41/494395141.db2.gz ZYGPFHOCHRVLSQ-UHFFFAOYSA-N 1 1 357.410 3.372 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2C)c([N+](=O)[O-])c1 ZINC000016585934 494395146 /nfs/dbraw/zinc/39/51/46/494395146.db2.gz ZYGPFHOCHRVLSQ-UHFFFAOYSA-N 1 1 357.410 3.372 20 5 FGBDMO Cc1cc(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)ccc1[N+](=O)[O-] ZINC000056039423 494445856 /nfs/dbraw/zinc/44/58/56/494445856.db2.gz KWXYUGFMISMSLM-UHFFFAOYSA-N 1 1 369.421 3.030 20 5 FGBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1c2ccccc2-c2ccccc21 ZINC000090559231 494482634 /nfs/dbraw/zinc/48/26/34/494482634.db2.gz IZZGYZFNQXSLNZ-UHFFFAOYSA-N 1 1 361.401 3.458 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCc3ccc(Cl)cc3C2)c1 ZINC000090615591 494486925 /nfs/dbraw/zinc/48/69/25/494486925.db2.gz YQSSDAZTPNNPIX-KRWDZBQOSA-N 1 1 362.813 3.046 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCc3ccc(Cl)cc3C2)c1 ZINC000090615591 494486928 /nfs/dbraw/zinc/48/69/28/494486928.db2.gz YQSSDAZTPNNPIX-KRWDZBQOSA-N 1 1 362.813 3.046 20 5 FGBDMO C[C@@H](NC(=O)NCC[N@H+]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000056381402 494496695 /nfs/dbraw/zinc/49/66/95/494496695.db2.gz RNRSYSLKGXYFSI-OAHLLOKOSA-N 1 1 368.437 3.013 20 5 FGBDMO Cc1c([C@H](C)NCc2ccnc(OCC[NH+](C)C)c2)cccc1[N+](=O)[O-] ZINC000090936998 494504911 /nfs/dbraw/zinc/50/49/11/494504911.db2.gz VPICZKUYWMAWNG-HNNXBMFYSA-N 1 1 358.442 3.089 20 5 FGBDMO CCOc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000021917554 494510571 /nfs/dbraw/zinc/51/05/71/494510571.db2.gz HDMAYEDJWSTDGN-AWEZNQCLSA-N 1 1 357.410 3.453 20 5 FGBDMO CCOc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000021917554 494510573 /nfs/dbraw/zinc/51/05/73/494510573.db2.gz HDMAYEDJWSTDGN-AWEZNQCLSA-N 1 1 357.410 3.453 20 5 FGBDMO C[C@@H](NC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000074856433 494626092 /nfs/dbraw/zinc/62/60/92/494626092.db2.gz OSCKRHQBTMNOIV-GDBMZVCRSA-N 1 1 360.458 3.029 20 5 FGBDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C/C=C/c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000092506520 494649711 /nfs/dbraw/zinc/64/97/11/494649711.db2.gz PQBHJADKORTCQH-JKWKAKRGSA-N 1 1 359.470 3.182 20 5 FGBDMO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2C/C=C/c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000092506520 494649717 /nfs/dbraw/zinc/64/97/17/494649717.db2.gz PQBHJADKORTCQH-JKWKAKRGSA-N 1 1 359.470 3.182 20 5 FGBDMO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2C/C=C/c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000092506520 494649721 /nfs/dbraw/zinc/64/97/21/494649721.db2.gz PQBHJADKORTCQH-JKWKAKRGSA-N 1 1 359.470 3.182 20 5 FGBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000074958537 494664445 /nfs/dbraw/zinc/66/44/45/494664445.db2.gz GACUJTOHYROHDJ-GWCFXTLKSA-N 1 1 359.348 3.026 20 5 FGBDMO C[C@@H]1C[N@@H+](CC2CCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000092587085 494678442 /nfs/dbraw/zinc/67/84/42/494678442.db2.gz CJUDJNVAPUVXDK-OBJZWFGXSA-N 1 1 373.497 3.429 20 5 FGBDMO C[C@@H]1C[N@H+](CC2CCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000092587085 494678447 /nfs/dbraw/zinc/67/84/47/494678447.db2.gz CJUDJNVAPUVXDK-OBJZWFGXSA-N 1 1 373.497 3.429 20 5 FGBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000580354518 505739362 /nfs/dbraw/zinc/73/93/62/505739362.db2.gz HYRDZWLABUJQAL-CYBMUJFWSA-N 1 1 361.421 3.142 20 5 FGBDMO Cc1c(C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000025634343 494764409 /nfs/dbraw/zinc/76/44/09/494764409.db2.gz NXNFODQSJMFNNA-CQSZACIVSA-N 1 1 353.422 3.080 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000116412273 494778049 /nfs/dbraw/zinc/77/80/49/494778049.db2.gz DYCJWEOWNJVWTG-KDOFPFPSSA-N 1 1 369.425 3.022 20 5 FGBDMO Cc1ccc(C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000025940035 494790719 /nfs/dbraw/zinc/79/07/19/494790719.db2.gz XYHKKNKAGZMCFQ-HNNXBMFYSA-N 1 1 353.422 3.080 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@H+](C)CCOc2ccccc2)cccc1[N+](=O)[O-] ZINC000026183145 494806959 /nfs/dbraw/zinc/80/69/59/494806959.db2.gz UXMXCEXZJGLMRE-OAHLLOKOSA-N 1 1 357.410 3.241 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)CCOc2ccccc2)cccc1[N+](=O)[O-] ZINC000026183145 494806964 /nfs/dbraw/zinc/80/69/64/494806964.db2.gz UXMXCEXZJGLMRE-OAHLLOKOSA-N 1 1 357.410 3.241 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1ccccc1C ZINC000026224071 494811076 /nfs/dbraw/zinc/81/10/76/494811076.db2.gz OJIKWIFGKHJXAJ-UHFFFAOYSA-N 1 1 357.410 3.372 20 5 FGBDMO Cc1c(NC(=O)CC[N@@H+](C)CCOc2ccccc2)cccc1[N+](=O)[O-] ZINC000026222809 494811556 /nfs/dbraw/zinc/81/15/56/494811556.db2.gz IKLCILILXWNJTG-UHFFFAOYSA-N 1 1 357.410 3.243 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+]3CCC[C@H](CCO)C3)o2)c([N+](=O)[O-])c1 ZINC000093106581 494826535 /nfs/dbraw/zinc/82/65/35/494826535.db2.gz HFUUNHXTLSXVFE-CQSZACIVSA-N 1 1 360.410 3.458 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000121636940 494827429 /nfs/dbraw/zinc/82/74/29/494827429.db2.gz RXLRNXSXKFGLFB-MRXNPFEDSA-N 1 1 374.485 3.031 20 5 FGBDMO Cc1ccc(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cc1[N+](=O)[O-] ZINC000121771172 494857155 /nfs/dbraw/zinc/85/71/55/494857155.db2.gz UBUIENQERHIFOZ-MRXNPFEDSA-N 1 1 351.410 3.326 20 5 FGBDMO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1Cl ZINC000027346747 494862743 /nfs/dbraw/zinc/86/27/43/494862743.db2.gz FNPDFGLEWSNRDD-GFCCVEGCSA-N 1 1 353.831 3.342 20 5 FGBDMO Cc1cc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc([N+](=O)[O-])c1 ZINC000121862809 494877270 /nfs/dbraw/zinc/87/72/70/494877270.db2.gz WWMCHGVBPIPBKH-KRWDZBQOSA-N 1 1 357.410 3.453 20 5 FGBDMO CNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000093360823 494878061 /nfs/dbraw/zinc/87/80/61/494878061.db2.gz TWSYPTWZXHBQKJ-ZDUSSCGKSA-N 1 1 359.451 3.281 20 5 FGBDMO COc1cc(C[N@H+](C)CCSC)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000093509513 494896507 /nfs/dbraw/zinc/89/65/07/494896507.db2.gz JAVPJFFRQXURCW-UHFFFAOYSA-N 1 1 368.377 3.339 20 5 FGBDMO COc1cc(C[N@@H+](C)CCSC)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000093509513 494896509 /nfs/dbraw/zinc/89/65/09/494896509.db2.gz JAVPJFFRQXURCW-UHFFFAOYSA-N 1 1 368.377 3.339 20 5 FGBDMO COCC[N@H+](C)Cc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000127175560 494905451 /nfs/dbraw/zinc/90/54/51/494905451.db2.gz XBVGCWPAZIAFPJ-UHFFFAOYSA-N 1 1 360.410 3.261 20 5 FGBDMO COCC[N@@H+](C)Cc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000127175560 494905455 /nfs/dbraw/zinc/90/54/55/494905455.db2.gz XBVGCWPAZIAFPJ-UHFFFAOYSA-N 1 1 360.410 3.261 20 5 FGBDMO COCCOC[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000093754793 494917027 /nfs/dbraw/zinc/91/70/27/494917027.db2.gz QYTUZQNLIGQKRE-OAHLLOKOSA-N 1 1 360.410 3.340 20 5 FGBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000109886612 494929456 /nfs/dbraw/zinc/92/94/56/494929456.db2.gz DOMMFXJFTRQULN-OAHLLOKOSA-N 1 1 358.442 3.461 20 5 FGBDMO C[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](c2ccccc2)C1 ZINC000117581450 494933453 /nfs/dbraw/zinc/93/34/53/494933453.db2.gz PZWFXGUBABPZLF-SFHVURJKSA-N 1 1 373.840 3.306 20 5 FGBDMO C[N@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](c2ccccc2)C1 ZINC000117581450 494933457 /nfs/dbraw/zinc/93/34/57/494933457.db2.gz PZWFXGUBABPZLF-SFHVURJKSA-N 1 1 373.840 3.306 20 5 FGBDMO COc1ccc(NC(=O)CC[N@H+]2CCc3ccsc3C2)c([N+](=O)[O-])c1 ZINC000132895977 494939531 /nfs/dbraw/zinc/93/95/31/494939531.db2.gz BLNNVDYDBNAPIN-UHFFFAOYSA-N 1 1 361.423 3.052 20 5 FGBDMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000110172873 494954405 /nfs/dbraw/zinc/95/44/05/494954405.db2.gz VABYAAAJGXLNPG-CQSZACIVSA-N 1 1 363.801 3.408 20 5 FGBDMO CCOc1ccc(C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000110355679 494972999 /nfs/dbraw/zinc/97/29/99/494972999.db2.gz PBURHESLSDZRBZ-HNNXBMFYSA-N 1 1 371.437 3.244 20 5 FGBDMO Cc1ncc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)s1 ZINC000110555904 494987630 /nfs/dbraw/zinc/98/76/30/494987630.db2.gz LZUIRQBTLROAOW-UHFFFAOYSA-N 1 1 369.450 3.230 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000122601482 495002012 /nfs/dbraw/zinc/00/20/12/495002012.db2.gz WUVYLVBBSKYRDL-INIZCTEOSA-N 1 1 374.485 3.317 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)c(C(F)(F)F)c1 ZINC000119060897 495082687 /nfs/dbraw/zinc/08/26/87/495082687.db2.gz BNPXIGXROCSRSN-GFCCVEGCSA-N 1 1 369.347 3.117 20 5 FGBDMO O=C(C1CC1)N1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000119068973 495084656 /nfs/dbraw/zinc/08/46/56/495084656.db2.gz MIMXCONKBHLEIF-UHFFFAOYSA-N 1 1 369.421 3.299 20 5 FGBDMO C[C@@H](NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000119538646 495186030 /nfs/dbraw/zinc/18/60/30/495186030.db2.gz VURPKVRZPJCUGY-VXGBXAGGSA-N 1 1 367.396 3.256 20 5 FGBDMO Cc1c(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000119620205 495203127 /nfs/dbraw/zinc/20/31/27/495203127.db2.gz FPZXNTKMMGBOAL-KBXCAEBGSA-N 1 1 353.422 3.154 20 5 FGBDMO C[N@H+]1CCC[C@@H]2CN(c3ccc(Br)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000129184169 495208541 /nfs/dbraw/zinc/20/85/41/495208541.db2.gz UXSKQEFRDFNETN-YPMHNXCESA-N 1 1 354.248 3.278 20 5 FGBDMO C[C@H]1C[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000134917068 495222290 /nfs/dbraw/zinc/22/22/90/495222290.db2.gz FBZPODNORVCMOH-XJKSGUPXSA-N 1 1 357.385 3.127 20 5 FGBDMO C[NH+](C)[C@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000124106155 495234372 /nfs/dbraw/zinc/23/43/72/495234372.db2.gz MWCDSOAZYLPIEE-IBGZPJMESA-N 1 1 355.438 3.337 20 5 FGBDMO CC[N@@H+](C)[C@@H](C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000119802310 495244166 /nfs/dbraw/zinc/24/41/66/495244166.db2.gz DYCKNUNIXPPPCQ-LJQANCHMSA-N 1 1 353.422 3.173 20 5 FGBDMO C[N@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000119874027 495259272 /nfs/dbraw/zinc/25/92/72/495259272.db2.gz VKOFBXDGEBUPRG-QGZVFWFLSA-N 1 1 368.437 3.031 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1cc(Cl)cn1C ZINC000119995811 495284999 /nfs/dbraw/zinc/28/49/99/495284999.db2.gz AIJRVSWXQMXMEQ-UHFFFAOYSA-N 1 1 364.833 3.356 20 5 FGBDMO CC(C)CO[C@@H]1CC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000120082183 495303254 /nfs/dbraw/zinc/30/32/54/495303254.db2.gz WQCQPLYIUATEJR-XJKSGUPXSA-N 1 1 360.414 3.453 20 5 FGBDMO CC(C)CO[C@@H]1CC[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000120082183 495303260 /nfs/dbraw/zinc/30/32/60/495303260.db2.gz WQCQPLYIUATEJR-XJKSGUPXSA-N 1 1 360.414 3.453 20 5 FGBDMO CC[C@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000120549443 495403347 /nfs/dbraw/zinc/40/33/47/495403347.db2.gz JZSKBFJAWSKEDK-QGZVFWFLSA-N 1 1 371.412 3.301 20 5 FGBDMO C[C@H]1CCC[N@H+]1C1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000125453030 495446292 /nfs/dbraw/zinc/44/62/92/495446292.db2.gz GMWUDCZFQMXPHT-LBPRGKRZSA-N 1 1 351.834 3.337 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]2c2ccncc2)cccc1[N+](=O)[O-] ZINC000125470467 495449450 /nfs/dbraw/zinc/44/94/50/495449450.db2.gz NJOGMOAYWKXICJ-GOSISDBHSA-N 1 1 354.410 3.464 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000139598323 495480192 /nfs/dbraw/zinc/48/01/92/495480192.db2.gz NXAWUIPIYIQCQT-XJKSGUPXSA-N 1 1 363.845 3.337 20 5 FGBDMO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000140190397 495490510 /nfs/dbraw/zinc/49/05/10/495490510.db2.gz JNWDDKHGYSIKCV-OAHLLOKOSA-N 1 1 373.478 3.227 20 5 FGBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000106888638 495506137 /nfs/dbraw/zinc/50/61/37/495506137.db2.gz XKHMXLRIOMSAEY-CQSZACIVSA-N 1 1 369.421 3.379 20 5 FGBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000106888638 495506139 /nfs/dbraw/zinc/50/61/39/495506139.db2.gz XKHMXLRIOMSAEY-CQSZACIVSA-N 1 1 369.421 3.379 20 5 FGBDMO COc1ccc(NC(=O)C[N@@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000115552081 495515415 /nfs/dbraw/zinc/51/54/15/495515415.db2.gz OARYTBKLKCCMQN-HOCLYGCPSA-N 1 1 369.421 3.420 20 5 FGBDMO COc1ccc(NC(=O)C[N@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000115552081 495515418 /nfs/dbraw/zinc/51/54/18/495515418.db2.gz OARYTBKLKCCMQN-HOCLYGCPSA-N 1 1 369.421 3.420 20 5 FGBDMO O=[N+]([O-])c1ccn(CC[N@@H+](Cc2ccc3c(c2)CCO3)C2CCCC2)n1 ZINC000176228389 495554210 /nfs/dbraw/zinc/55/42/10/495554210.db2.gz IVHFXVQLMVUOJL-UHFFFAOYSA-N 1 1 356.426 3.171 20 5 FGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000170689159 495567085 /nfs/dbraw/zinc/56/70/85/495567085.db2.gz RDTUHVPMPCDVNW-HOCLYGCPSA-N 1 1 354.410 3.108 20 5 FGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000170689159 495567091 /nfs/dbraw/zinc/56/70/91/495567091.db2.gz RDTUHVPMPCDVNW-HOCLYGCPSA-N 1 1 354.410 3.108 20 5 FGBDMO Cc1[nH+]ccn1CCCCNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176320081 495599082 /nfs/dbraw/zinc/59/90/82/495599082.db2.gz QGWGLBKZZJXZHP-CQSZACIVSA-N 1 1 359.430 3.249 20 5 FGBDMO C[C@H](CCNC(=O)Cc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000173601915 495608106 /nfs/dbraw/zinc/60/81/06/495608106.db2.gz XEIKWBUVSHGDJX-MRXNPFEDSA-N 1 1 355.438 3.164 20 5 FGBDMO C[C@@H](C(=O)NCC[N@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000182544886 495608706 /nfs/dbraw/zinc/60/87/06/495608706.db2.gz VHZLNVZIEOWPNQ-CQSZACIVSA-N 1 1 371.412 3.012 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[C@@H](C[NH+]4CCCC4)C3)o2)c1 ZINC000150750094 495621797 /nfs/dbraw/zinc/62/17/97/495621797.db2.gz YVRDZADCMDMPSE-INIZCTEOSA-N 1 1 370.453 3.210 20 5 FGBDMO Cc1nc(C(C)(C)[NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)sc1C ZINC000173955576 495762291 /nfs/dbraw/zinc/76/22/91/495762291.db2.gz CZCGHUJJCBWXDO-UHFFFAOYSA-N 1 1 374.466 3.082 20 5 FGBDMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000182961010 495776021 /nfs/dbraw/zinc/77/60/21/495776021.db2.gz YUKFLSGTPUKREG-QWHCGFSZSA-N 1 1 369.874 3.035 20 5 FGBDMO CN(C)c1cccc(C[N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000159865818 495827639 /nfs/dbraw/zinc/82/76/39/495827639.db2.gz DIWYNOHDLQKZHM-UHFFFAOYSA-N 1 1 356.426 3.121 20 5 FGBDMO C[S@](=O)C[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000183106230 495836387 /nfs/dbraw/zinc/83/63/87/495836387.db2.gz SLMUPZGUBSNVDT-CMJOXMDJSA-N 1 1 352.843 3.458 20 5 FGBDMO C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C2 ZINC000174234327 495875012 /nfs/dbraw/zinc/87/50/12/495875012.db2.gz SPCPDUQHQXXZSR-YHWZYXNKSA-N 1 1 371.359 3.359 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000180200011 495903261 /nfs/dbraw/zinc/90/32/61/495903261.db2.gz IRQGRBFPCCPBTA-HKUYNNGSSA-N 1 1 371.462 3.249 20 5 FGBDMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3C)C2)n1 ZINC000183277554 495911195 /nfs/dbraw/zinc/91/11/95/495911195.db2.gz URWKCTRJEYXVNI-KRWDZBQOSA-N 1 1 368.437 3.457 20 5 FGBDMO COc1ccc([C@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)cc1 ZINC000155318515 495918067 /nfs/dbraw/zinc/91/80/67/495918067.db2.gz UWICRNFQJLKAEC-HNNXBMFYSA-N 1 1 370.405 3.459 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000174363402 495928938 /nfs/dbraw/zinc/92/89/38/495928938.db2.gz WQSCQZVWVPCMHS-IAQYHMDHSA-N 1 1 354.838 3.442 20 5 FGBDMO CCOc1cc(N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000160482922 495974347 /nfs/dbraw/zinc/97/43/47/495974347.db2.gz XNOJDZTUYALYKZ-HLLBOEOZSA-N 1 1 363.458 3.072 20 5 FGBDMO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000161133250 496111587 /nfs/dbraw/zinc/11/15/87/496111587.db2.gz NAUYSXREZDJCIP-UHFFFAOYSA-N 1 1 371.441 3.345 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C(C)C)CC1 ZINC000180745814 496127638 /nfs/dbraw/zinc/12/76/38/496127638.db2.gz HAOFJPLJEKTEEA-UHFFFAOYSA-N 1 1 351.472 3.262 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C[C@H](C)c1nccs1 ZINC000183996583 496193099 /nfs/dbraw/zinc/19/30/99/496193099.db2.gz VAVGAURLPOMLLV-ZDUSSCGKSA-N 1 1 362.455 3.424 20 5 FGBDMO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172415683 496287835 /nfs/dbraw/zinc/28/78/35/496287835.db2.gz RZONHGYDRHANJJ-UHFFFAOYSA-N 1 1 356.426 3.167 20 5 FGBDMO COc1cc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c([N+](=O)[O-])cc1F ZINC000184235899 496298310 /nfs/dbraw/zinc/29/83/10/496298310.db2.gz AOMIQOFJPMDTOC-BBRMVZONSA-N 1 1 364.373 3.424 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c([N+](=O)[O-])cc1F ZINC000184235899 496298313 /nfs/dbraw/zinc/29/83/13/496298313.db2.gz AOMIQOFJPMDTOC-BBRMVZONSA-N 1 1 364.373 3.424 20 5 FGBDMO CCCNC(=O)C1([NH2+]Cc2cc(OC)c(F)cc2[N+](=O)[O-])CCCCC1 ZINC000184264697 496310847 /nfs/dbraw/zinc/31/08/47/496310847.db2.gz ZDHUHTHNBRVCMM-UHFFFAOYSA-N 1 1 367.421 3.061 20 5 FGBDMO Cc1cccc(NC2CC[NH+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)c1 ZINC000153018253 496327659 /nfs/dbraw/zinc/32/76/59/496327659.db2.gz PIXURYHBAOZBPK-UHFFFAOYSA-N 1 1 368.437 3.079 20 5 FGBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000162424739 496350440 /nfs/dbraw/zinc/35/04/40/496350440.db2.gz QKFVNWDSZZQALD-HXUWFJFHSA-N 1 1 368.437 3.083 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000156902928 496360875 /nfs/dbraw/zinc/36/08/75/496360875.db2.gz VRTUDWJZDHQEIM-HNNXBMFYSA-N 1 1 371.437 3.413 20 5 FGBDMO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000175399489 496373845 /nfs/dbraw/zinc/37/38/45/496373845.db2.gz REFBOTNRULREKA-SXBQZSJRSA-N 1 1 362.451 3.404 20 5 FGBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000153305815 496414311 /nfs/dbraw/zinc/41/43/11/496414311.db2.gz DODDYRRFEUKHEA-LPHOPBHVSA-N 1 1 357.454 3.003 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)cnc1NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000153530108 496486693 /nfs/dbraw/zinc/48/66/93/496486693.db2.gz HAHLULUBKHFSAQ-UHFFFAOYSA-N 1 1 362.817 3.088 20 5 FGBDMO Cc1ccc(N2CCC(NC(=O)c3cccc(C)c3[N+](=O)[O-])CC2)[nH+]c1 ZINC000157770768 496550711 /nfs/dbraw/zinc/55/07/11/496550711.db2.gz VQINZRAJSHCIPW-UHFFFAOYSA-N 1 1 354.410 3.005 20 5 FGBDMO Cc1ccc(NCCCNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)[nH+]c1 ZINC000175823329 496559731 /nfs/dbraw/zinc/55/97/31/496559731.db2.gz WBDZMJVEXHNYSO-HNNXBMFYSA-N 1 1 371.441 3.469 20 5 FGBDMO CCOCCO[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000157814881 496561143 /nfs/dbraw/zinc/56/11/43/496561143.db2.gz GOZNZOJAHWALQV-KRWDZBQOSA-N 1 1 352.431 3.009 20 5 FGBDMO CCOCCO[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000157814881 496561149 /nfs/dbraw/zinc/56/11/49/496561149.db2.gz GOZNZOJAHWALQV-KRWDZBQOSA-N 1 1 352.431 3.009 20 5 FGBDMO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc(C(C)(C)C)no2)cc1[N+](=O)[O-] ZINC000181829651 496562271 /nfs/dbraw/zinc/56/22/71/496562271.db2.gz YOJWFYODDDCLMX-GFCCVEGCSA-N 1 1 360.414 3.478 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173163287 496576340 /nfs/dbraw/zinc/57/63/40/496576340.db2.gz GUCGUCPNYQAMNL-KRWDZBQOSA-N 1 1 367.449 3.260 20 5 FGBDMO CCOc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000153822903 496592255 /nfs/dbraw/zinc/59/22/55/496592255.db2.gz JFAPXUAZGCJHLH-RDJZCZTQSA-N 1 1 373.453 3.082 20 5 FGBDMO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc(F)c2F)c([N+](=O)[O-])c1 ZINC000182001057 496630406 /nfs/dbraw/zinc/63/04/06/496630406.db2.gz JTMKZOVNASXYDG-JTQLQIEISA-N 1 1 365.336 3.171 20 5 FGBDMO CSc1cccc(C(=O)NCCC[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000188018953 496653688 /nfs/dbraw/zinc/65/36/88/496653688.db2.gz BRSXZHSLLILJKX-CYBMUJFWSA-N 1 1 351.472 3.311 20 5 FGBDMO Cc1c(Br)c(NC[C@@H]2CC[N@H+](C(C)C)C2)ncc1[N+](=O)[O-] ZINC000165734146 496667894 /nfs/dbraw/zinc/66/78/94/496667894.db2.gz SOAGDLKXYCOMMA-NSHDSACASA-N 1 1 357.252 3.203 20 5 FGBDMO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000179129726 496684942 /nfs/dbraw/zinc/68/49/42/496684942.db2.gz KLRFLLLRUYGIII-GDIGMMSISA-N 1 1 368.437 3.400 20 5 FGBDMO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000182187869 496701401 /nfs/dbraw/zinc/70/14/01/496701401.db2.gz JKWSKVZWMIZVJP-HZPDHXFCSA-N 1 1 354.834 3.000 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+](Cc1ccccc1F)C1CC1 ZINC000182199075 496704793 /nfs/dbraw/zinc/70/47/93/496704793.db2.gz ADSFNDAIIJYFIW-MRXNPFEDSA-N 1 1 360.385 3.138 20 5 FGBDMO CCCn1ccnc1CCC[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000191508006 496789640 /nfs/dbraw/zinc/78/96/40/496789640.db2.gz YQPIZOAEYMAYCO-UHFFFAOYSA-N 1 1 373.457 3.013 20 5 FGBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000247238966 496812512 /nfs/dbraw/zinc/81/25/12/496812512.db2.gz DGIOINRCYMCOOZ-MLGOLLRUSA-N 1 1 374.466 3.131 20 5 FGBDMO CC(C)C[C@]1(CO)CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000191639614 496842554 /nfs/dbraw/zinc/84/25/54/496842554.db2.gz KLEOOTVIYFSHDR-KRWDZBQOSA-N 1 1 369.849 3.060 20 5 FGBDMO CC(C)C[C@]1(CO)CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000191639614 496842560 /nfs/dbraw/zinc/84/25/60/496842560.db2.gz KLEOOTVIYFSHDR-KRWDZBQOSA-N 1 1 369.849 3.060 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](c3nccs3)C2)c2c(c1)COCO2 ZINC000195353766 496899367 /nfs/dbraw/zinc/89/93/67/496899367.db2.gz MYUKOVAIRWUDNR-LBPRGKRZSA-N 1 1 361.423 3.297 20 5 FGBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000278115892 497009947 /nfs/dbraw/zinc/00/99/47/497009947.db2.gz PXHPAPWMMDATIE-VOTSOKGWSA-N 1 1 367.405 3.381 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000248612723 497056908 /nfs/dbraw/zinc/05/69/08/497056908.db2.gz XZGXVWDJJXKYRE-AHIWAGSCSA-N 1 1 351.422 3.026 20 5 FGBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N)[C@H]1c1cccs1 ZINC000248736262 497092737 /nfs/dbraw/zinc/09/27/37/497092737.db2.gz XEGLTYKZJLBNFS-SJCJKPOMSA-N 1 1 374.466 3.051 20 5 FGBDMO C[C@](O)(C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(F)(F)F ZINC000270442644 497130220 /nfs/dbraw/zinc/13/02/20/497130220.db2.gz AOKHWOHDZACJAO-ZDUSSCGKSA-N 1 1 361.345 3.121 20 5 FGBDMO CC(C)C[C@@H](CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000236683104 497131848 /nfs/dbraw/zinc/13/18/48/497131848.db2.gz DTKKUNNQQOLPNI-SFHVURJKSA-N 1 1 359.474 3.061 20 5 FGBDMO CSc1cccc(C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000249128063 497172184 /nfs/dbraw/zinc/17/21/84/497172184.db2.gz KADRFITUYWUUHB-MJBXVCDLSA-N 1 1 365.499 3.413 20 5 FGBDMO COc1cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc([N+](=O)[O-])c1C ZINC000189632494 497189190 /nfs/dbraw/zinc/18/91/90/497189190.db2.gz VDJVMDJEHXCTJQ-YOEHRIQHSA-N 1 1 373.453 3.001 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCCCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000189681283 497209615 /nfs/dbraw/zinc/20/96/15/497209615.db2.gz OVMIAROXMIQEQW-CQSZACIVSA-N 1 1 369.487 3.065 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000252652950 497315823 /nfs/dbraw/zinc/31/58/23/497315823.db2.gz RGXLBYSZGOYWOS-KMFMINBZSA-N 1 1 371.441 3.122 20 5 FGBDMO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C(=O)N1CCc2ccccc2C1 ZINC000266436352 497341236 /nfs/dbraw/zinc/34/12/36/497341236.db2.gz FKCFCUXWLVAEJF-HUUCEWRRSA-N 1 1 353.422 3.219 20 5 FGBDMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1cccc([N+](=O)[O-])c1 ZINC000193627221 497431963 /nfs/dbraw/zinc/43/19/63/497431963.db2.gz OWFHCIUTOCSTSD-INIZCTEOSA-N 1 1 354.410 3.238 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)C[C@@H](O)COCc1ccccc1 ZINC000245522467 497439870 /nfs/dbraw/zinc/43/98/70/497439870.db2.gz LWEYRUBWXKLLOG-VQIMIIECSA-N 1 1 358.438 3.474 20 5 FGBDMO Cn1cc(N2CC[NH+](Cc3cc(=O)oc4ccc5ccccc5c34)CC2)cn1 ZINC000266939035 497451812 /nfs/dbraw/zinc/45/18/12/497451812.db2.gz PLHFBZGVNFCYQA-UHFFFAOYSA-N 1 1 374.444 3.002 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)cccc1[N+](=O)[O-] ZINC000245567349 497459800 /nfs/dbraw/zinc/45/98/00/497459800.db2.gz FLEOTAPVTISJJW-QIIPPGSGSA-N 1 1 371.441 3.010 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)cccc1[N+](=O)[O-] ZINC000245567349 497459807 /nfs/dbraw/zinc/45/98/07/497459807.db2.gz FLEOTAPVTISJJW-QIIPPGSGSA-N 1 1 371.441 3.010 20 5 FGBDMO Cc1sc(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000193807060 497489064 /nfs/dbraw/zinc/48/90/64/497489064.db2.gz MABDBXJKGYRDHY-OAHLLOKOSA-N 1 1 359.451 3.217 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000262103222 497509124 /nfs/dbraw/zinc/50/91/24/497509124.db2.gz ZLDRVVAGFONARH-QGZVFWFLSA-N 1 1 359.813 3.343 20 5 FGBDMO COc1cc(NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)ccc1[N+](=O)[O-] ZINC000267400859 497542721 /nfs/dbraw/zinc/54/27/21/497542721.db2.gz PLDOPNRQYJHRHI-UHFFFAOYSA-N 1 1 357.414 3.091 20 5 FGBDMO C[N@@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)[C@H]1c1ccc(Cl)cc1 ZINC000245884229 497559209 /nfs/dbraw/zinc/55/92/09/497559209.db2.gz NPGBMPQWVOIPOD-RHSMWYFYSA-N 1 1 374.828 3.006 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)[C@H]1c1ccc(Cl)cc1 ZINC000245884229 497559214 /nfs/dbraw/zinc/55/92/14/497559214.db2.gz NPGBMPQWVOIPOD-RHSMWYFYSA-N 1 1 374.828 3.006 20 5 FGBDMO CC(C)CCOC1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000194336466 497637951 /nfs/dbraw/zinc/63/79/51/497637951.db2.gz ZNAQBAMZWNTHFY-OAHLLOKOSA-N 1 1 363.458 3.449 20 5 FGBDMO C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272530117 497652980 /nfs/dbraw/zinc/65/29/80/497652980.db2.gz MUAYERVPAVNRFP-AUUYWEPGSA-N 1 1 366.421 3.344 20 5 FGBDMO COc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000569379348 505920778 /nfs/dbraw/zinc/92/07/78/505920778.db2.gz ZKBLQPHIGHMPTL-MRXNPFEDSA-N 1 1 355.394 3.207 20 5 FGBDMO COc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000569379348 505920781 /nfs/dbraw/zinc/92/07/81/505920781.db2.gz ZKBLQPHIGHMPTL-MRXNPFEDSA-N 1 1 355.394 3.207 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000194400481 497655315 /nfs/dbraw/zinc/65/53/15/497655315.db2.gz LAJJIMKFFZKXFX-QGZVFWFLSA-N 1 1 353.422 3.298 20 5 FGBDMO CCOCCC[N@H+]1CC[C@@H](Nc2ncc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246254059 497676030 /nfs/dbraw/zinc/67/60/30/497676030.db2.gz JMHNOVILQNVMIW-GXTWGEPZSA-N 1 1 356.854 3.192 20 5 FGBDMO CCOc1cc(C[N@H+]2CCC[C@@H](c3nncn3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000276880937 497677346 /nfs/dbraw/zinc/67/73/46/497677346.db2.gz ISGWHXHIGNSUGX-OAHLLOKOSA-N 1 1 371.441 3.300 20 5 FGBDMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3F)sc2C1 ZINC000273001892 497782453 /nfs/dbraw/zinc/78/24/53/497782453.db2.gz HOVIYGAOEYCKHF-UHFFFAOYSA-N 1 1 364.402 3.209 20 5 FGBDMO CC(C)[N@H+]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3F)sc2C1 ZINC000273001892 497782455 /nfs/dbraw/zinc/78/24/55/497782455.db2.gz HOVIYGAOEYCKHF-UHFFFAOYSA-N 1 1 364.402 3.209 20 5 FGBDMO C[C@H](c1ccc(Cl)cc1Cl)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246797762 497811747 /nfs/dbraw/zinc/81/17/47/497811747.db2.gz VFAFINVLTWRWDY-ZWNOBZJWSA-N 1 1 373.240 3.152 20 5 FGBDMO CCC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)c1cc2ccccc2o1 ZINC000246828947 497814343 /nfs/dbraw/zinc/81/43/43/497814343.db2.gz YBAJBUJNXNRAJV-RHSMWYFYSA-N 1 1 372.425 3.372 20 5 FGBDMO CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000364212617 497842802 /nfs/dbraw/zinc/84/28/02/497842802.db2.gz IFJUMNVZCKYJTL-HNNXBMFYSA-N 1 1 357.414 3.359 20 5 FGBDMO COc1ccc(NC(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1OC ZINC000292075647 497866798 /nfs/dbraw/zinc/86/67/98/497866798.db2.gz FDUICSSWQILLSV-UHFFFAOYSA-N 1 1 373.409 3.075 20 5 FGBDMO CC[C@H](NC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000364272235 497872828 /nfs/dbraw/zinc/87/28/28/497872828.db2.gz JUVMCRVDBCQXFJ-DSLXNQLJSA-N 1 1 372.469 3.172 20 5 FGBDMO CCO[C@H]1C[C@H]([NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C12CCC2 ZINC000296289403 497986392 /nfs/dbraw/zinc/98/63/92/497986392.db2.gz PAKXAYCKTNPNCP-GJZGRUSLSA-N 1 1 358.398 3.082 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](CSC)C1 ZINC000292466919 498026042 /nfs/dbraw/zinc/02/60/42/498026042.db2.gz QZHAFGKRYDEVTQ-ZDUSSCGKSA-N 1 1 367.471 3.007 20 5 FGBDMO O=[N+]([O-])c1cnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c(Cl)c1 ZINC000301293575 498043837 /nfs/dbraw/zinc/04/38/37/498043837.db2.gz WCIIHPRJUWUKLU-UHFFFAOYSA-N 1 1 364.808 3.495 20 5 FGBDMO O=[N+]([O-])c1cnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c(Cl)c1 ZINC000301293575 498043841 /nfs/dbraw/zinc/04/38/41/498043841.db2.gz WCIIHPRJUWUKLU-UHFFFAOYSA-N 1 1 364.808 3.495 20 5 FGBDMO CC1(C)C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1c1ccncc1 ZINC000292556721 498058255 /nfs/dbraw/zinc/05/82/55/498058255.db2.gz XQAXYHIGYVSLTI-GOSISDBHSA-N 1 1 354.410 3.402 20 5 FGBDMO C[N@H+]1CC[C@H](CNC(=O)c2csc([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000364633159 498060056 /nfs/dbraw/zinc/06/00/56/498060056.db2.gz JQMDVEWUDOHFFT-YGRLFVJLSA-N 1 1 351.453 3.141 20 5 FGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCC2)c([N+](=O)[O-])c1 ZINC000292651865 498095424 /nfs/dbraw/zinc/09/54/24/498095424.db2.gz IAMHCYBQMFBZOJ-SFHVURJKSA-N 1 1 371.393 3.497 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC=C(c2cccnc2)C1 ZINC000289358045 498118726 /nfs/dbraw/zinc/11/87/26/498118726.db2.gz NVNTWQQGNBSNDQ-UHFFFAOYSA-N 1 1 366.421 3.416 20 5 FGBDMO CN(CC[N@@H+](C)C1CCCCC1)c1ncc([N+](=O)[O-])cc1Br ZINC000301522039 498146434 /nfs/dbraw/zinc/14/64/34/498146434.db2.gz HHENRJVBULRANO-UHFFFAOYSA-N 1 1 371.279 3.453 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000572517391 505988201 /nfs/dbraw/zinc/98/82/01/505988201.db2.gz QAIXQWRLZOQNST-MAUKXSAKSA-N 1 1 361.442 3.123 20 5 FGBDMO CN(CC[C@H]1CCCC[N@H+]1C)c1ncc(Br)cc1[N+](=O)[O-] ZINC000301627443 498195301 /nfs/dbraw/zinc/19/53/01/498195301.db2.gz AEVRUEREMWSSTD-GFCCVEGCSA-N 1 1 357.252 3.063 20 5 FGBDMO CC[C@H](Nc1ccc([N+](=O)[O-])cn1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000301627055 498196209 /nfs/dbraw/zinc/19/62/09/498196209.db2.gz BAZHCMQKNXKCBA-ROUUACIJSA-N 1 1 356.426 3.081 20 5 FGBDMO CC[C@H](Nc1ccc([N+](=O)[O-])cn1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000301627055 498196214 /nfs/dbraw/zinc/19/62/14/498196214.db2.gz BAZHCMQKNXKCBA-ROUUACIJSA-N 1 1 356.426 3.081 20 5 FGBDMO COCc1cc([N+](=O)[O-])ccc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000301709812 498233177 /nfs/dbraw/zinc/23/31/77/498233177.db2.gz JVQKGNSKOYJQMG-UHFFFAOYSA-N 1 1 359.401 3.203 20 5 FGBDMO C[N@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])cc3Br)CC[C@H]21 ZINC000301730502 498242365 /nfs/dbraw/zinc/24/23/65/498242365.db2.gz XECALJUEAXIOLJ-SMDDNHRTSA-N 1 1 354.248 3.278 20 5 FGBDMO CCOc1cc(N2CC[NH+](Cc3cccc(F)c3)CC2)ccc1[N+](=O)[O-] ZINC000301735581 498243956 /nfs/dbraw/zinc/24/39/56/498243956.db2.gz ZQZDEBYBJGCNNS-UHFFFAOYSA-N 1 1 359.401 3.455 20 5 FGBDMO CC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCCc2cccnc21 ZINC000364996541 498246075 /nfs/dbraw/zinc/24/60/75/498246075.db2.gz AUHTUCLKENTHTJ-WMZOPIPTSA-N 1 1 371.437 3.129 20 5 FGBDMO Cc1cc(N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301839913 498288674 /nfs/dbraw/zinc/28/86/74/498288674.db2.gz XRTZCBSEVRFICB-SJLPKXTDSA-N 1 1 367.453 3.281 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)ccc1NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000301864594 498301619 /nfs/dbraw/zinc/30/16/19/498301619.db2.gz GPZXYGJJHVXMQC-HZPDHXFCSA-N 1 1 361.829 3.296 20 5 FGBDMO C[C@H]1C[C@@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)CC[N@H+]1Cc1ccccc1 ZINC000301960173 498345558 /nfs/dbraw/zinc/34/55/58/498345558.db2.gz MFNRXHVIQDYLDE-HOCLYGCPSA-N 1 1 366.425 3.103 20 5 FGBDMO COc1cccc([C@H]2[C@H](Nc3ncccc3[N+](=O)[O-])CC[N@H+]2C2CC2)c1 ZINC000302023655 498372870 /nfs/dbraw/zinc/37/28/70/498372870.db2.gz GAOFQCVUTHJQPS-AEFFLSMTSA-N 1 1 354.410 3.388 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)ccc1NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000302032852 498377179 /nfs/dbraw/zinc/37/71/79/498377179.db2.gz CXIZQYXTXQFUTI-INIZCTEOSA-N 1 1 361.829 3.427 20 5 FGBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000297449344 498453248 /nfs/dbraw/zinc/45/32/48/498453248.db2.gz MAIKXZKUMISXPX-MRXNPFEDSA-N 1 1 352.822 3.198 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)[C@@H](C)C1 ZINC000297714673 498544814 /nfs/dbraw/zinc/54/48/14/498544814.db2.gz NHIDFSVZWDUDSN-SWLSCSKDSA-N 1 1 353.850 3.359 20 5 FGBDMO CC(C)c1nccn1[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000362781608 498553036 /nfs/dbraw/zinc/55/30/36/498553036.db2.gz OEUIBQYGZXYKLJ-QZTJIDSGSA-N 1 1 358.442 3.285 20 5 FGBDMO Cc1cc([NH+]2CCCC2)ccc1NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000581721972 506053214 /nfs/dbraw/zinc/05/32/14/506053214.db2.gz ZQCMFDQHGHQCNA-GOSISDBHSA-N 1 1 371.437 3.355 20 5 FGBDMO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(F)c1 ZINC000302785654 498574579 /nfs/dbraw/zinc/57/45/79/498574579.db2.gz MWGBDYYIHUZYSE-QGZVFWFLSA-N 1 1 359.401 3.437 20 5 FGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000332157449 498582205 /nfs/dbraw/zinc/58/22/05/498582205.db2.gz XVBDHFPMMZDRRI-ZACQAIPSSA-N 1 1 361.486 3.477 20 5 FGBDMO Cc1ccc(N2CCC[C@H](C(=O)N(C)c3cccc([N+](=O)[O-])c3)C2)[nH+]c1 ZINC000365732835 498617372 /nfs/dbraw/zinc/61/73/72/498617372.db2.gz GKGLMGHKCBDBGK-HNNXBMFYSA-N 1 1 354.410 3.178 20 5 FGBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000363156390 498679232 /nfs/dbraw/zinc/67/92/32/498679232.db2.gz KHKHHSPCEDSRPO-UKRRQHHQSA-N 1 1 372.450 3.075 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@H](O)C12CCCC2 ZINC000576102712 506077182 /nfs/dbraw/zinc/07/71/82/506077182.db2.gz XCCJOFVISMLONF-AWEZNQCLSA-N 1 1 355.232 3.237 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@H](O)C12CCCC2 ZINC000576102712 506077184 /nfs/dbraw/zinc/07/71/84/506077184.db2.gz XCCJOFVISMLONF-AWEZNQCLSA-N 1 1 355.232 3.237 20 5 FGBDMO Cc1ccc(C[N@@H+]2C[C@H](c3cnn(C)c3)C3(C2)CCOCC3)cc1[N+](=O)[O-] ZINC000294685562 498773719 /nfs/dbraw/zinc/77/37/19/498773719.db2.gz AECGZAHCISOJRB-GOSISDBHSA-N 1 1 370.453 3.033 20 5 FGBDMO C[C@](CO)([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000317738770 498794494 /nfs/dbraw/zinc/79/44/94/498794494.db2.gz JKBTUXSBIQRXTQ-MRXNPFEDSA-N 1 1 365.227 3.355 20 5 FGBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2c2ccc[nH]2)c([N+](=O)[O-])c1 ZINC000298661235 498842695 /nfs/dbraw/zinc/84/26/95/498842695.db2.gz QXQDSWSKSBZXPU-INIZCTEOSA-N 1 1 358.398 3.097 20 5 FGBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc([C@@H]2C[N@@H+]3CCC[C@]3(C)CO2)no1 ZINC000581970354 506102644 /nfs/dbraw/zinc/10/26/44/506102644.db2.gz XIYXZHIWRNTGIV-XJJOCEFXSA-N 1 1 370.409 3.464 20 5 FGBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc([C@@H]2C[N@H+]3CCC[C@]3(C)CO2)no1 ZINC000581970354 506102645 /nfs/dbraw/zinc/10/26/45/506102645.db2.gz XIYXZHIWRNTGIV-XJJOCEFXSA-N 1 1 370.409 3.464 20 5 FGBDMO Cc1ccc([C@H](C)N[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000366299040 498865284 /nfs/dbraw/zinc/86/52/84/498865284.db2.gz LVGWMMVTPQNSCM-PBWTXFEYSA-N 1 1 361.486 3.443 20 5 FGBDMO Cc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000366299040 498865291 /nfs/dbraw/zinc/86/52/91/498865291.db2.gz LVGWMMVTPQNSCM-PBWTXFEYSA-N 1 1 361.486 3.443 20 5 FGBDMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000299339113 499029133 /nfs/dbraw/zinc/02/91/33/499029133.db2.gz JLBQTOANESOICV-INIZCTEOSA-N 1 1 361.373 3.284 20 5 FGBDMO Cc1[nH+]c(CNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c2n1CCCC2 ZINC000372522690 499138608 /nfs/dbraw/zinc/13/86/08/499138608.db2.gz MZDKRNZDTHZDKY-UHFFFAOYSA-N 1 1 357.414 3.375 20 5 FGBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCN(Cc2ccncc2)CC1 ZINC000372584053 499149303 /nfs/dbraw/zinc/14/93/03/499149303.db2.gz MYWGSFWDUFJJHM-UHFFFAOYSA-N 1 1 354.454 3.129 20 5 FGBDMO CCc1[nH+]ccn1C[C@@H]1CCCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000367841366 499237306 /nfs/dbraw/zinc/23/73/06/499237306.db2.gz FVZFHBJJONSEAC-NSHDSACASA-N 1 1 358.427 3.027 20 5 FGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@@H](OCc3ccncc3)C2)cc1 ZINC000367892735 499242406 /nfs/dbraw/zinc/24/24/06/499242406.db2.gz SFCMAEKBRGZQLP-LJQANCHMSA-N 1 1 357.410 3.050 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000370695440 499245232 /nfs/dbraw/zinc/24/52/32/499245232.db2.gz AMSQXKILXLNYJP-LPHOPBHVSA-N 1 1 368.437 3.063 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000368085091 499262562 /nfs/dbraw/zinc/26/25/62/499262562.db2.gz JHERODRPVVXSTL-CVEARBPZSA-N 1 1 355.394 3.067 20 5 FGBDMO C[N@@H+]1CC[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000371075670 499286630 /nfs/dbraw/zinc/28/66/30/499286630.db2.gz RDKIHSHYNHFDCU-DOTOQJQBSA-N 1 1 361.348 3.048 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000371075670 499286631 /nfs/dbraw/zinc/28/66/31/499286631.db2.gz RDKIHSHYNHFDCU-DOTOQJQBSA-N 1 1 361.348 3.048 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC3(CCOCC3)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000368814481 499335299 /nfs/dbraw/zinc/33/52/99/499335299.db2.gz SITLRIINZOGJPU-GJZGRUSLSA-N 1 1 361.442 3.121 20 5 FGBDMO CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000371862515 499372936 /nfs/dbraw/zinc/37/29/36/499372936.db2.gz DYVRWZYBWNILBQ-CYBMUJFWSA-N 1 1 362.817 3.312 20 5 FGBDMO Cc1ccnc([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000570341228 506145416 /nfs/dbraw/zinc/14/54/16/506145416.db2.gz DQAKELJEPJJWNP-GJZGRUSLSA-N 1 1 354.410 3.115 20 5 FGBDMO Cc1ccnc([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000570341228 506145419 /nfs/dbraw/zinc/14/54/19/506145419.db2.gz DQAKELJEPJJWNP-GJZGRUSLSA-N 1 1 354.410 3.115 20 5 FGBDMO CC(C)c1nn(C)c(Cl)c1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369557021 499417287 /nfs/dbraw/zinc/41/72/87/499417287.db2.gz RHODYCLSYNVYJJ-UHFFFAOYSA-N 1 1 366.853 3.139 20 5 FGBDMO Cc1cc(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000369567222 499419282 /nfs/dbraw/zinc/41/92/82/499419282.db2.gz HDRRASDBVUGTKE-WMLDXEAASA-N 1 1 359.451 3.388 20 5 FGBDMO Cc1ncc(C[N@H+]2CC[C@H](Nc3nccc(C)c3[N+](=O)[O-])[C@@H](C)C2)s1 ZINC000369592239 499423692 /nfs/dbraw/zinc/42/36/92/499423692.db2.gz QDYQOVSAUOUJBR-WFASDCNBSA-N 1 1 361.471 3.386 20 5 FGBDMO CCOc1cc(C[N@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)ccc1[N+](=O)[O-] ZINC000369596759 499424504 /nfs/dbraw/zinc/42/45/04/499424504.db2.gz KODZTPZISPCTQN-HXUWFJFHSA-N 1 1 367.405 3.089 20 5 FGBDMO O=C(Nc1cccc2c1C[N@H+](C1CC1)C2)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000375241764 499498263 /nfs/dbraw/zinc/49/82/63/499498263.db2.gz LWQYJYPQMHBOQQ-UHFFFAOYSA-N 1 1 367.361 3.054 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000375277937 499502521 /nfs/dbraw/zinc/50/25/21/499502521.db2.gz KDQWKRDXBOKNBG-ACJLOTCBSA-N 1 1 358.398 3.208 20 5 FGBDMO CCNc1ccc(C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000390709487 499555003 /nfs/dbraw/zinc/55/50/03/499555003.db2.gz IWKQOYLRRXCEJA-HNNXBMFYSA-N 1 1 370.453 3.277 20 5 FGBDMO CCOC1CC2(C1)CC[N@H+](Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)C2 ZINC000375792093 499556343 /nfs/dbraw/zinc/55/63/43/499556343.db2.gz ZULHCPLRNYXEIL-UHFFFAOYSA-N 1 1 358.398 3.036 20 5 FGBDMO CCOC1CC2(C1)CC[N@@H+](Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)C2 ZINC000375792093 499556344 /nfs/dbraw/zinc/55/63/44/499556344.db2.gz ZULHCPLRNYXEIL-UHFFFAOYSA-N 1 1 358.398 3.036 20 5 FGBDMO C[C@@H]1OCC[C@@]1(O)C[N@@H+](Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000573249385 506153000 /nfs/dbraw/zinc/15/30/00/506153000.db2.gz HRLXSTRXNDXJEX-OXJNMPFZSA-N 1 1 356.422 3.137 20 5 FGBDMO COc1cc(C[N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])cc(OC)c1 ZINC000410025945 499636909 /nfs/dbraw/zinc/63/69/09/499636909.db2.gz BJJDLIRHXKKMJG-UHFFFAOYSA-N 1 1 373.409 3.073 20 5 FGBDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3ccc([N+](=O)[O-])o3)C2)s1 ZINC000576425473 506154905 /nfs/dbraw/zinc/15/49/05/506154905.db2.gz IZDFKHWNNCIFEG-ZDUSSCGKSA-N 1 1 363.439 3.152 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1Cc2ccccc2C[C@@H]1C ZINC000411318917 499725406 /nfs/dbraw/zinc/72/54/06/499725406.db2.gz ZRTGENUYHRVEIX-AWEZNQCLSA-N 1 1 369.421 3.379 20 5 FGBDMO NC(=O)C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000377848735 499741864 /nfs/dbraw/zinc/74/18/64/499741864.db2.gz ZQLOVIPPFUCSJC-NSHDSACASA-N 1 1 363.801 3.206 20 5 FGBDMO O=C(CC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1)Nc1ccccc1Cl ZINC000411482203 499746071 /nfs/dbraw/zinc/74/60/71/499746071.db2.gz SDNOTGPXYSKCNC-UHFFFAOYSA-N 1 1 360.801 3.030 20 5 FGBDMO CC(C)[C@@H]1[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC12CCOCC2 ZINC000414133613 499763250 /nfs/dbraw/zinc/76/32/50/499763250.db2.gz APMJZKIWRZVOSF-SFHVURJKSA-N 1 1 361.442 3.060 20 5 FGBDMO CCn1ccnc1[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411684948 499777604 /nfs/dbraw/zinc/77/76/04/499777604.db2.gz VCFKFKWZEIUZKD-KRWDZBQOSA-N 1 1 371.441 3.367 20 5 FGBDMO CCn1ccnc1[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411684948 499777606 /nfs/dbraw/zinc/77/76/06/499777606.db2.gz VCFKFKWZEIUZKD-KRWDZBQOSA-N 1 1 371.441 3.367 20 5 FGBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1occc1C ZINC000412028415 499814175 /nfs/dbraw/zinc/81/41/75/499814175.db2.gz SAGKKVUYWPWLMD-UHFFFAOYSA-N 1 1 361.398 3.356 20 5 FGBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000412201833 499833370 /nfs/dbraw/zinc/83/33/70/499833370.db2.gz KAWUJXLMRGWWDI-UHFFFAOYSA-N 1 1 360.414 3.049 20 5 FGBDMO CCc1ccccc1[C@@H]([NH3+])CN[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000415073057 499860917 /nfs/dbraw/zinc/86/09/17/499860917.db2.gz YXXOGZUEQPNALI-KUHUBIRLSA-N 1 1 370.453 3.164 20 5 FGBDMO CC(C)c1ccc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1[N+](=O)[O-] ZINC000415133656 499868457 /nfs/dbraw/zinc/86/84/57/499868457.db2.gz VJNIVDMIPQLDQG-AZUAARDMSA-N 1 1 361.486 3.437 20 5 FGBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413173165 499922331 /nfs/dbraw/zinc/92/23/31/499922331.db2.gz CHKKIDZQXSUICZ-LBPRGKRZSA-N 1 1 358.364 3.177 20 5 FGBDMO CC(C)([NH2+]CC(=O)NCc1ccc(Cl)s1)c1ccccc1[N+](=O)[O-] ZINC000429229106 500027545 /nfs/dbraw/zinc/02/75/45/500027545.db2.gz GGXAKFZZLZRKLL-UHFFFAOYSA-N 1 1 367.858 3.451 20 5 FGBDMO CCN(Cc1ccccc1)C(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429228940 500027882 /nfs/dbraw/zinc/02/78/82/500027882.db2.gz UVBCCBVGDOBOTC-UHFFFAOYSA-N 1 1 355.438 3.468 20 5 FGBDMO C[C@H](NC(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000429232942 500028973 /nfs/dbraw/zinc/02/89/73/500028973.db2.gz CDOOOYXQWVKBKC-ZDUSSCGKSA-N 1 1 359.401 3.436 20 5 FGBDMO COc1ccccc1[C@H](C)NC(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429254397 500035077 /nfs/dbraw/zinc/03/50/77/500035077.db2.gz KQLFVEZCRNDQFJ-AWEZNQCLSA-N 1 1 371.437 3.306 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@H](n4ccnn4)C3)o2)cc1 ZINC000425344193 500079209 /nfs/dbraw/zinc/07/92/09/500079209.db2.gz BTEGXAIOBAHIHN-INIZCTEOSA-N 1 1 353.382 3.283 20 5 FGBDMO COc1ccc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000425345190 500080506 /nfs/dbraw/zinc/08/05/06/500080506.db2.gz DDZIOMRNLHMGPN-AZUAARDMSA-N 1 1 367.449 3.310 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCC[C@@H](CCO)CC1 ZINC000425478426 500118053 /nfs/dbraw/zinc/11/80/53/500118053.db2.gz PCQGWUYUNVWTBB-GFCCVEGCSA-N 1 1 357.248 3.342 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000425478426 500118058 /nfs/dbraw/zinc/11/80/58/500118058.db2.gz PCQGWUYUNVWTBB-GFCCVEGCSA-N 1 1 357.248 3.342 20 5 FGBDMO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000430111420 500194618 /nfs/dbraw/zinc/19/46/18/500194618.db2.gz QWECZEGIFCHRQH-FQEVSTJZSA-N 1 1 354.406 3.220 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000430192397 500206568 /nfs/dbraw/zinc/20/65/68/500206568.db2.gz BSYAKMDGSDNNRF-CQSZACIVSA-N 1 1 350.415 3.157 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000430192397 500206570 /nfs/dbraw/zinc/20/65/70/500206570.db2.gz BSYAKMDGSDNNRF-CQSZACIVSA-N 1 1 350.415 3.157 20 5 FGBDMO C[C@@H]1C[C@@]2(CCO1)C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@H](C)O2 ZINC000430253308 500215746 /nfs/dbraw/zinc/21/57/46/500215746.db2.gz IIHMRFQNFSGKGO-GJYPPUQNSA-N 1 1 364.442 3.022 20 5 FGBDMO C[N@H+]1CCC[C@@H](CNc2c(C(N)=O)cccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000420605198 500476347 /nfs/dbraw/zinc/47/63/47/500476347.db2.gz UMHTVASQNCJZBW-SJCJKPOMSA-N 1 1 374.466 3.250 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433055029 500614618 /nfs/dbraw/zinc/61/46/18/500614618.db2.gz XCCBXHMUTCTTIQ-QZTJIDSGSA-N 1 1 356.422 3.214 20 5 FGBDMO COc1ccc(OCC[N@H+]2CCS[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000437545518 500658990 /nfs/dbraw/zinc/65/89/90/500658990.db2.gz ZNBLAHZHVJRCOQ-YOEHRIQHSA-N 1 1 352.456 3.342 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H](c3ccccc3)C3(CO)CCC3)nc2c1 ZINC000433323797 500672265 /nfs/dbraw/zinc/67/22/65/500672265.db2.gz YZHDJUDJDWCRMF-LJQANCHMSA-N 1 1 366.421 3.465 20 5 FGBDMO CC1CC[NH+](Cc2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)CC1 ZINC000443198425 500695359 /nfs/dbraw/zinc/69/53/59/500695359.db2.gz OWCZDRCWBFXQOO-UHFFFAOYSA-N 1 1 355.398 3.282 20 5 FGBDMO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CCC(C)(C)CC1 ZINC000438489646 500792158 /nfs/dbraw/zinc/79/21/58/500792158.db2.gz GURSDDRNOHNXQR-UHFFFAOYSA-N 1 1 363.414 3.163 20 5 FGBDMO Cc1c(CC(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000438901435 500833235 /nfs/dbraw/zinc/83/32/35/500833235.db2.gz IJMOMFLUBHUXDE-LPHOPBHVSA-N 1 1 367.449 3.397 20 5 FGBDMO CCOC(=O)c1ccnc(NC[C@@H]2CCCC[N@H+]2CC(C)C)c1[N+](=O)[O-] ZINC000439095834 500855325 /nfs/dbraw/zinc/85/53/25/500855325.db2.gz JJMWJWIYVLWNQA-AWEZNQCLSA-N 1 1 364.446 3.089 20 5 FGBDMO CC1(C)CCC[N@@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000444605071 500864643 /nfs/dbraw/zinc/86/46/43/500864643.db2.gz BJNMJJNOANQFTM-UHFFFAOYSA-N 1 1 353.850 3.029 20 5 FGBDMO CC1(C)CCC[N@@H+](CCNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000444607227 500865476 /nfs/dbraw/zinc/86/54/76/500865476.db2.gz HGBKOEMPRYUFGG-UHFFFAOYSA-N 1 1 360.458 3.021 20 5 FGBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000439190434 500868038 /nfs/dbraw/zinc/86/80/38/500868038.db2.gz LBNIJLSCOZKONB-QGZVFWFLSA-N 1 1 362.474 3.247 20 5 FGBDMO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc([S@](C)=O)cc1 ZINC000444688689 500879682 /nfs/dbraw/zinc/87/96/82/500879682.db2.gz KEEOPPLXVICHMT-FTJNGKRUSA-N 1 1 358.423 3.059 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC(CCCn4ccnc4)CC3)nc2c1 ZINC000444688115 500879882 /nfs/dbraw/zinc/87/98/82/500879882.db2.gz XKDYZOKHAJSYJA-UHFFFAOYSA-N 1 1 368.441 3.360 20 5 FGBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444707271 500884319 /nfs/dbraw/zinc/88/43/19/500884319.db2.gz PKRCBCIAVBXINS-NSHDSACASA-N 1 1 373.331 3.167 20 5 FGBDMO COCCCOc1cccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000602579592 506223422 /nfs/dbraw/zinc/22/34/22/506223422.db2.gz BHHXYGSPHILAIZ-UHFFFAOYSA-N 1 1 371.393 3.441 20 5 FGBDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1(CC)CC ZINC000434977744 500917879 /nfs/dbraw/zinc/91/78/79/500917879.db2.gz JNNBKNGILUKZFQ-SJORKVTESA-N 1 1 363.458 3.109 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000439874723 500948841 /nfs/dbraw/zinc/94/88/41/500948841.db2.gz XNAYEHKHGYGBJQ-UHFFFAOYSA-N 1 1 372.425 3.247 20 5 FGBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000439896677 500952227 /nfs/dbraw/zinc/95/22/27/500952227.db2.gz HBXXKBJXYMLYKA-CQSZACIVSA-N 1 1 364.446 3.189 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3C[C@H](O)C[C@H]3[C@H]3CCCOC3)o2)c1 ZINC000449434298 501001905 /nfs/dbraw/zinc/00/19/05/501001905.db2.gz QJJNQXNTDYVSCV-WDYCEAGBSA-N 1 1 372.421 3.217 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@H](OC)[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000449491879 501016383 /nfs/dbraw/zinc/01/63/83/501016383.db2.gz AYEYYMOYZONRHD-RISCZKNCSA-N 1 1 374.384 3.104 20 5 FGBDMO C[C@H]1OCC[C@@H]1[N@@H+](CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000449682555 501061458 /nfs/dbraw/zinc/06/14/58/501061458.db2.gz XPJIWYROZOJSQN-DYVFJYSZSA-N 1 1 362.451 3.295 20 5 FGBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000450385299 501107544 /nfs/dbraw/zinc/10/75/44/501107544.db2.gz CZQZRPJLBCWNEY-GUYCJALGSA-N 1 1 356.426 3.072 20 5 FGBDMO O=[N+]([O-])c1cc(C[NH2+]Cc2cc3c(cn2)OCCO3)cc(C(F)(F)F)c1 ZINC000602642529 506242568 /nfs/dbraw/zinc/24/25/68/506242568.db2.gz YXTZNOOTWLCCQO-UHFFFAOYSA-N 1 1 369.299 3.070 20 5 FGBDMO COc1ccc(OCC[N@H+]2CCC=C(c3cccnc3)C2)c([N+](=O)[O-])c1 ZINC000451026942 501240214 /nfs/dbraw/zinc/24/02/14/501240214.db2.gz VJWXHLBBIWINHU-UHFFFAOYSA-N 1 1 355.394 3.167 20 5 FGBDMO C[C@@]12C[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000451379092 501279137 /nfs/dbraw/zinc/27/91/37/501279137.db2.gz YXDONZAYGVMGSK-FERZIJSQSA-N 1 1 352.394 3.289 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3[C@H]3CCC[C@H]3O)co2)cc1 ZINC000451421245 501289068 /nfs/dbraw/zinc/28/90/68/501289068.db2.gz OCIMCIVGMOVEAX-KZNAEPCWSA-N 1 1 357.410 3.375 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCCC[C@H]2CO)cc1OC ZINC000611661191 506246491 /nfs/dbraw/zinc/24/64/91/506246491.db2.gz MNPIBEJJFYJRCN-HOCLYGCPSA-N 1 1 366.458 3.375 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCCC[C@H]2CO)cc1OC ZINC000611661191 506246501 /nfs/dbraw/zinc/24/65/01/506246501.db2.gz MNPIBEJJFYJRCN-HOCLYGCPSA-N 1 1 366.458 3.375 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000451630834 501340283 /nfs/dbraw/zinc/34/02/83/501340283.db2.gz UOZJIFYYQWSMLH-AEFFLSMTSA-N 1 1 373.453 3.123 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@@H]4C[C@H](O)CC[C@H]4C3)co2)cc1 ZINC000451704764 501356191 /nfs/dbraw/zinc/35/61/91/501356191.db2.gz XQXQKXCTOUQPDN-RVKKMQEKSA-N 1 1 357.410 3.233 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CCOCC23CCCCC3)cccc1[N+](=O)[O-] ZINC000451817956 501379244 /nfs/dbraw/zinc/37/92/44/501379244.db2.gz UYZRWWBIFIYNIP-UHFFFAOYSA-N 1 1 361.442 3.267 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCOCC12CCCCC2 ZINC000451817752 501379285 /nfs/dbraw/zinc/37/92/85/501379285.db2.gz SVQRARVTVYFVTB-UHFFFAOYSA-N 1 1 361.442 3.267 20 5 FGBDMO CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602662551 506250247 /nfs/dbraw/zinc/25/02/47/506250247.db2.gz OYKHGGAWAWDLBO-ZDUSSCGKSA-N 1 1 373.375 3.352 20 5 FGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451893613 501394879 /nfs/dbraw/zinc/39/48/79/501394879.db2.gz CAAQBZCQMWJRIS-SCLBCKFNSA-N 1 1 358.398 3.208 20 5 FGBDMO Cc1cc(F)ccc1[C@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000451971691 501411220 /nfs/dbraw/zinc/41/12/20/501411220.db2.gz NJVIJVDWMVVAIL-QGZVFWFLSA-N 1 1 357.385 3.478 20 5 FGBDMO Cc1cc(F)ccc1[C@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000451971691 501411223 /nfs/dbraw/zinc/41/12/23/501411223.db2.gz NJVIJVDWMVVAIL-QGZVFWFLSA-N 1 1 357.385 3.478 20 5 FGBDMO CC(C)[N@H+]1CC[C@H](N(C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000452115371 501437934 /nfs/dbraw/zinc/43/79/34/501437934.db2.gz LLORWYLSOUZJNH-KRWDZBQOSA-N 1 1 358.442 3.207 20 5 FGBDMO CC1(C)C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H]2COC[C@@H]21 ZINC000452122594 501440367 /nfs/dbraw/zinc/44/03/67/501440367.db2.gz VDQKAZSCEPINKE-JKSUJKDBSA-N 1 1 357.410 3.149 20 5 FGBDMO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000452182377 501455578 /nfs/dbraw/zinc/45/55/78/501455578.db2.gz LJNFAHSRKACEGW-GJZGRUSLSA-N 1 1 353.422 3.219 20 5 FGBDMO C[C@H](NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000452182377 501455579 /nfs/dbraw/zinc/45/55/79/501455579.db2.gz LJNFAHSRKACEGW-GJZGRUSLSA-N 1 1 353.422 3.219 20 5 FGBDMO CC[C@H](C)[NH+]1CCN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000456563624 501549060 /nfs/dbraw/zinc/54/90/60/501549060.db2.gz WPCSJMUTNAPQHK-UONOGXRCSA-N 1 1 351.472 3.018 20 5 FGBDMO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000454727221 501616478 /nfs/dbraw/zinc/61/64/78/501616478.db2.gz OUMNCUNATNGTAG-KYNGSXCRSA-N 1 1 368.437 3.400 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000456979173 501629204 /nfs/dbraw/zinc/62/92/04/501629204.db2.gz BGLXABMCHOZROG-KSSFIOAISA-N 1 1 371.462 3.249 20 5 FGBDMO O=[N+]([O-])c1ccc2ncnc(Nc3cccc(C[NH+]4CCOCC4)c3)c2c1 ZINC000611708216 506265953 /nfs/dbraw/zinc/26/59/53/506265953.db2.gz LDRAQZNXAWAXPZ-UHFFFAOYSA-N 1 1 365.393 3.114 20 5 FGBDMO CC(C)O[C@@H](C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000459499407 501664708 /nfs/dbraw/zinc/66/47/08/501664708.db2.gz ALJZSGIPINPQLI-IBGZPJMESA-N 1 1 370.453 3.278 20 5 FGBDMO C[C@H]1CN(c2ccccc2C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000459546475 501674219 /nfs/dbraw/zinc/67/42/19/501674219.db2.gz QTYVKYXXIIRYKY-KRWDZBQOSA-N 1 1 369.465 3.494 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCc2cccc(Cl)c2C1 ZINC000459679522 501697806 /nfs/dbraw/zinc/69/78/06/501697806.db2.gz OIYSWQJMZDAEOX-CQSZACIVSA-N 1 1 362.813 3.046 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCc2cccc(Cl)c2C1 ZINC000459679522 501697809 /nfs/dbraw/zinc/69/78/09/501697809.db2.gz OIYSWQJMZDAEOX-CQSZACIVSA-N 1 1 362.813 3.046 20 5 FGBDMO COc1cc(C[N@@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000459782014 501713251 /nfs/dbraw/zinc/71/32/51/501713251.db2.gz XABOTQAXPJMIEK-GFCCVEGCSA-N 1 1 368.430 3.022 20 5 FGBDMO COc1ccc(-c2ccc(CNc3nc(N(C)C)cc[nH+]3)o2)c([N+](=O)[O-])c1 ZINC000463495039 501742365 /nfs/dbraw/zinc/74/23/65/501742365.db2.gz IQMUFEIQXVKPKL-UHFFFAOYSA-N 1 1 369.381 3.332 20 5 FGBDMO CN(CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474217038 501747802 /nfs/dbraw/zinc/74/78/02/501747802.db2.gz YKOBASHOBVRAPL-LJQANCHMSA-N 1 1 355.438 3.180 20 5 FGBDMO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000474217038 501747806 /nfs/dbraw/zinc/74/78/06/501747806.db2.gz YKOBASHOBVRAPL-LJQANCHMSA-N 1 1 355.438 3.180 20 5 FGBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000474217038 501747809 /nfs/dbraw/zinc/74/78/09/501747809.db2.gz YKOBASHOBVRAPL-LJQANCHMSA-N 1 1 355.438 3.180 20 5 FGBDMO Cc1nc2sccn2c1C[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000474283197 501774909 /nfs/dbraw/zinc/77/49/09/501774909.db2.gz MDWQKSHZQMDSGC-UHFFFAOYSA-N 1 1 373.438 3.073 20 5 FGBDMO Cc1ccc([C@@H]2CC[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)c(C)c1 ZINC000471022126 501894565 /nfs/dbraw/zinc/89/45/65/501894565.db2.gz LZANRRRXPFGKMX-IEBWSBKVSA-N 1 1 370.449 3.441 20 5 FGBDMO COc1cc(C[N@H+](C)C[C@@H]2OCCc3ccccc32)c([N+](=O)[O-])cc1F ZINC000464104051 501900047 /nfs/dbraw/zinc/90/00/47/501900047.db2.gz ANPVDNBHCCRXHM-IBGZPJMESA-N 1 1 360.385 3.488 20 5 FGBDMO COc1cc(C[N@@H+](C)C[C@@H]2OCCc3ccccc32)c([N+](=O)[O-])cc1F ZINC000464104051 501900051 /nfs/dbraw/zinc/90/00/51/501900051.db2.gz ANPVDNBHCCRXHM-IBGZPJMESA-N 1 1 360.385 3.488 20 5 FGBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 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JPSTUNJSYIXTIH-CZUORRHYSA-N 1 1 360.414 3.282 20 5 FGBDMO O=[N+]([O-])c1cc2ccccc2nc1NCCc1[nH+]ccn1Cc1ccccc1 ZINC000473513369 502617864 /nfs/dbraw/zinc/61/78/64/502617864.db2.gz MQRFUGRIZAYRLF-UHFFFAOYSA-N 1 1 373.416 3.464 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000462934531 502631262 /nfs/dbraw/zinc/63/12/62/502631262.db2.gz HDWIAFNFGXGVFC-SOLBZPMBSA-N 1 1 361.486 3.400 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000462934532 502631362 /nfs/dbraw/zinc/63/13/62/502631362.db2.gz HDWIAFNFGXGVFC-XYJFISCASA-N 1 1 361.486 3.400 20 5 FGBDMO COc1ccnc(N2CC[NH+](C/C(C)=C\c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000470172217 502693361 /nfs/dbraw/zinc/69/33/61/502693361.db2.gz TUSOUSKUEOJTSX-VBKFSLOCSA-N 1 1 368.437 3.224 20 5 FGBDMO C[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C1CCCCC1 ZINC000488491023 502731018 /nfs/dbraw/zinc/73/10/18/502731018.db2.gz OODDEYGKTJLWFW-UHFFFAOYSA-N 1 1 371.384 3.191 20 5 FGBDMO 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ZINC000544070882 503997164 /nfs/dbraw/zinc/99/71/64/503997164.db2.gz NDZACOLHNISIAI-RTBURBONSA-N 1 1 370.449 3.432 20 5 FGBDMO C[C@]1(c2ccccc2)CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000541349764 504101266 /nfs/dbraw/zinc/10/12/66/504101266.db2.gz RRICPOUNFMIOFT-RXVVDRJESA-N 1 1 370.449 3.388 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](c2cccc(C)c2)C1 ZINC000541386031 504112959 /nfs/dbraw/zinc/11/29/59/504112959.db2.gz AXMHHOBAEGAHCB-MRXNPFEDSA-N 1 1 369.421 3.340 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](c2cccc(C)c2)C1 ZINC000541386031 504112963 /nfs/dbraw/zinc/11/29/63/504112963.db2.gz AXMHHOBAEGAHCB-MRXNPFEDSA-N 1 1 369.421 3.340 20 5 FGBDMO COc1cc([C@@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)ccc1OCC(C)C ZINC000538168511 504151329 /nfs/dbraw/zinc/15/13/29/504151329.db2.gz SYGNNIWZCZAQIX-CYBMUJFWSA-N 1 1 362.430 3.223 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccccc1 ZINC000544623691 504194818 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COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000548736713 504546954 /nfs/dbraw/zinc/54/69/54/504546954.db2.gz XVZONHODAIQNGV-UHFFFAOYSA-N 1 1 364.446 3.188 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000520974642 504619851 /nfs/dbraw/zinc/61/98/51/504619851.db2.gz BBBVJDCCHIFCSA-BETUJISGSA-N 1 1 351.422 3.220 20 5 FGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)COc1ccccc1Cl ZINC000548927882 504623909 /nfs/dbraw/zinc/62/39/09/504623909.db2.gz ICCUTRMKEUAKFN-INIZCTEOSA-N 1 1 364.829 3.162 20 5 FGBDMO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000548933286 504626613 /nfs/dbraw/zinc/62/66/13/504626613.db2.gz ARDUXWCUFHIHBD-HZPDHXFCSA-N 1 1 367.449 3.435 20 5 FGBDMO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000548933286 504626621 /nfs/dbraw/zinc/62/66/21/504626621.db2.gz ARDUXWCUFHIHBD-HZPDHXFCSA-N 1 1 367.449 3.435 20 5 FGBDMO CC(C)(C)[N@H+]1C[C@@H](C(=O)NCc2ccccc2[N+](=O)[O-])[C@H](C(F)(F)F)C1 ZINC000521012922 504630468 /nfs/dbraw/zinc/63/04/68/504630468.db2.gz DKUCADWBRUIKLL-CHWSQXEVSA-N 1 1 373.375 3.120 20 5 FGBDMO CC(C)c1ccc([C@H]2CCC[N@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000536180129 504658183 /nfs/dbraw/zinc/65/81/83/504658183.db2.gz LERZWLIRTSQYEE-RTBURBONSA-N 1 1 358.442 3.113 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000532520354 504680638 /nfs/dbraw/zinc/68/06/38/504680638.db2.gz DDWQXCNAMCLQLH-UWJYYQICSA-N 1 1 369.465 3.191 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000532520354 504680647 /nfs/dbraw/zinc/68/06/47/504680647.db2.gz DDWQXCNAMCLQLH-UWJYYQICSA-N 1 1 369.465 3.191 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@@H]1c1ccccc1 ZINC000536262999 504683105 /nfs/dbraw/zinc/68/31/05/504683105.db2.gz JEXOJGPTIZCRMH-MJGOQNOKSA-N 1 1 364.405 3.251 20 5 FGBDMO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCN(c2ccccc2F)C1=O ZINC000539841037 504713775 /nfs/dbraw/zinc/71/37/75/504713775.db2.gz VWHOOUXDMQZTLH-FNQPIQQGSA-N 1 1 369.396 3.484 20 5 FGBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCN(c2ccccc2F)C1=O ZINC000539841037 504713779 /nfs/dbraw/zinc/71/37/79/504713779.db2.gz VWHOOUXDMQZTLH-FNQPIQQGSA-N 1 1 369.396 3.484 20 5 FGBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000553062774 504817689 /nfs/dbraw/zinc/81/76/89/504817689.db2.gz JEMXOFJBHYTETM-LJQANCHMSA-N 1 1 359.470 3.393 20 5 FGBDMO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000559610771 504895485 /nfs/dbraw/zinc/89/54/85/504895485.db2.gz RMYYOHCZTHTOIC-LLVKDONJSA-N 1 1 371.359 3.360 20 5 FGBDMO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[NH+](Cc2ccccc2)CC1 ZINC000556624587 504924790 /nfs/dbraw/zinc/92/47/90/504924790.db2.gz HESNOUDOPPGOKV-UHFFFAOYSA-N 1 1 364.405 3.034 20 5 FGBDMO C[N@@H+](CCCNC(=O)C1CCC1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549997986 504948802 /nfs/dbraw/zinc/94/88/02/504948802.db2.gz UBDNFHHXIFIDPS-UHFFFAOYSA-N 1 1 373.375 3.352 20 5 FGBDMO CC(C)CC[C@@](C)(O)C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000556872995 505001724 /nfs/dbraw/zinc/00/17/24/505001724.db2.gz SWLXJMBIQWUBSR-PKOBYXMFSA-N 1 1 360.458 3.195 20 5 FGBDMO CC(C)[N@H+]1CCC[C@H](CN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000560531454 505116616 /nfs/dbraw/zinc/11/66/16/505116616.db2.gz YXWHJDGBTWQBKQ-APWZRJJASA-N 1 1 371.485 3.128 20 5 FGBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)NCc1ccc(Cl)s1 ZINC000554845600 505279135 /nfs/dbraw/zinc/27/91/35/505279135.db2.gz CCWUPXIOISNMTK-UHFFFAOYSA-N 1 1 367.858 3.100 20 5 FGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)NCc1ccc(Cl)s1 ZINC000554845600 505279141 /nfs/dbraw/zinc/27/91/41/505279141.db2.gz CCWUPXIOISNMTK-UHFFFAOYSA-N 1 1 367.858 3.100 20 5 FGBDMO Cc1cccc(C)c1OC[C@H](O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000554845949 505279459 /nfs/dbraw/zinc/27/94/59/505279459.db2.gz IIUXBBSUXFXBOO-LJQANCHMSA-N 1 1 358.438 3.126 20 5 FGBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000567196062 505391860 /nfs/dbraw/zinc/39/18/60/505391860.db2.gz HJKZEPVVBTWIMU-SJLPKXTDSA-N 1 1 374.485 3.214 20 5 FGBDMO C[C@@H]1[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000558461089 505396244 /nfs/dbraw/zinc/39/62/44/505396244.db2.gz FPHJALAKTMTORN-DNVCBOLYSA-N 1 1 368.437 3.057 20 5 FGBDMO C[C@H](C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)c1ccc(F)cc1 ZINC000552141820 505413874 /nfs/dbraw/zinc/41/38/74/505413874.db2.gz XWJNVCFESXSCKE-OAHLLOKOSA-N 1 1 371.412 3.295 20 5 FGBDMO Cc1c(CNC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000555382241 505422393 /nfs/dbraw/zinc/42/23/93/505422393.db2.gz IFWHHEONNKVKNT-UHFFFAOYSA-N 1 1 362.474 3.165 20 5 FGBDMO COc1cc(C[NH2+][C@H]2CCCn3nccc32)c([N+](=O)[O-])cc1OC(F)F ZINC000603027754 506385699 /nfs/dbraw/zinc/38/56/99/506385699.db2.gz OQQHXRHIFRVTFD-NSHDSACASA-N 1 1 368.340 3.026 20 5 FGBDMO COC[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000588986437 506406143 /nfs/dbraw/zinc/40/61/43/506406143.db2.gz KBVOCTYIAPQJLH-HNNXBMFYSA-N 1 1 363.801 3.164 20 5 FGBDMO O=[N+]([O-])c1cnccc1N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000612101796 506434759 /nfs/dbraw/zinc/43/47/59/506434759.db2.gz OJJAATTTWGDXID-FGTMMUONSA-N 1 1 352.438 3.124 20 5 FGBDMO O=[N+]([O-])c1cnc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)s1 ZINC000596526057 506446682 /nfs/dbraw/zinc/44/66/82/506446682.db2.gz PTPIFLOHNFOEDM-HNNXBMFYSA-N 1 1 358.467 3.187 20 5 FGBDMO COc1ccc(OCC[N@@H+]2CC(C)(C)[C@H]2c2ccncc2)c([N+](=O)[O-])c1 ZINC000596590806 506476771 /nfs/dbraw/zinc/47/67/71/506476771.db2.gz GNMSQCSMESGJDC-GOSISDBHSA-N 1 1 357.410 3.460 20 5 FGBDMO COc1ccc(OCC[N@H+]2CC(C)(C)[C@H]2c2ccncc2)c([N+](=O)[O-])c1 ZINC000596590806 506476775 /nfs/dbraw/zinc/47/67/75/506476775.db2.gz GNMSQCSMESGJDC-GOSISDBHSA-N 1 1 357.410 3.460 20 5 FGBDMO C[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@H]1C(=O)OC(C)(C)C ZINC000599586117 506513609 /nfs/dbraw/zinc/51/36/09/506513609.db2.gz GNEQMAWFLHKGJW-LSDHHAIUSA-N 1 1 364.442 3.273 20 5 FGBDMO CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1COc2ccccc2O1 ZINC000603661725 506588808 /nfs/dbraw/zinc/58/88/08/506588808.db2.gz UEBOIXOZAPMCCM-QGZVFWFLSA-N 1 1 358.394 3.136 20 5 FGBDMO CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000603838825 506631102 /nfs/dbraw/zinc/63/11/02/506631102.db2.gz MRNHJLGFHXTGDR-OAHLLOKOSA-N 1 1 358.394 3.136 20 5 FGBDMO C[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000604126731 506725018 /nfs/dbraw/zinc/72/50/18/506725018.db2.gz UMHBSQCHRBPQHU-HNAYVOBHSA-N 1 1 368.437 3.354 20 5 FGBDMO C[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000604126731 506725025 /nfs/dbraw/zinc/72/50/25/506725025.db2.gz UMHBSQCHRBPQHU-HNAYVOBHSA-N 1 1 368.437 3.354 20 5 FGBDMO C[C@H]1[C@@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000593708320 506744051 /nfs/dbraw/zinc/74/40/51/506744051.db2.gz SNLDEDOTKGQALN-KSSFIOAISA-N 1 1 371.412 3.056 20 5 FGBDMO CCOc1ccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c(C)c1 ZINC000597149838 506798730 /nfs/dbraw/zinc/79/87/30/506798730.db2.gz SMKHKUKTDKMZSF-UHFFFAOYSA-N 1 1 356.426 3.019 20 5 FGBDMO Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C1)CC2 ZINC000583505777 506817654 /nfs/dbraw/zinc/81/76/54/506817654.db2.gz UXXVWHUIBSWIRD-SJORKVTESA-N 1 1 368.437 3.068 20 5 FGBDMO CN1C[C@@H]([N@@H+](C)Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCC1=O ZINC000600178184 506824053 /nfs/dbraw/zinc/82/40/53/506824053.db2.gz GUGLDHGSEYGOBP-ZDUSSCGKSA-N 1 1 359.451 3.376 20 5 FGBDMO CNc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000604459599 506837508 /nfs/dbraw/zinc/83/75/08/506837508.db2.gz FFIHANCZRQZTOM-UHFFFAOYSA-N 1 1 365.393 3.061 20 5 FGBDMO CC(C)(C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000600228715 506859617 /nfs/dbraw/zinc/85/96/17/506859617.db2.gz DWFCSJNRXGUGSN-INIZCTEOSA-N 1 1 359.470 3.396 20 5 FGBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000600227455 506859683 /nfs/dbraw/zinc/85/96/83/506859683.db2.gz CODSQFDLWKMUER-HNNXBMFYSA-N 1 1 356.426 3.213 20 5 FGBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000600228323 506859922 /nfs/dbraw/zinc/85/99/22/506859922.db2.gz JVXIXXWKXLARML-INIZCTEOSA-N 1 1 365.861 3.314 20 5 FGBDMO CCC[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)C1 ZINC000590573563 506865638 /nfs/dbraw/zinc/86/56/38/506865638.db2.gz BVDDYMZEPHRUPE-NSHDSACASA-N 1 1 355.822 3.179 20 5 FGBDMO CC[NH+]1CCN(C[C@@H](C)CNc2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000590574636 506866050 /nfs/dbraw/zinc/86/60/50/506866050.db2.gz OYBXHEHKCKEHFI-ZDUSSCGKSA-N 1 1 356.417 3.218 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000590602824 506875531 /nfs/dbraw/zinc/87/55/31/506875531.db2.gz YMIRIDRWCHKLOQ-GJZGRUSLSA-N 1 1 354.410 3.196 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000590602824 506875535 /nfs/dbraw/zinc/87/55/35/506875535.db2.gz YMIRIDRWCHKLOQ-GJZGRUSLSA-N 1 1 354.410 3.196 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000590602827 506876105 /nfs/dbraw/zinc/87/61/05/506876105.db2.gz YMIRIDRWCHKLOQ-LSDHHAIUSA-N 1 1 354.410 3.196 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000590602827 506876112 /nfs/dbraw/zinc/87/61/12/506876112.db2.gz YMIRIDRWCHKLOQ-LSDHHAIUSA-N 1 1 354.410 3.196 20 5 FGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000590602806 506876565 /nfs/dbraw/zinc/87/65/65/506876565.db2.gz XSROIQSGUIVADK-LSDHHAIUSA-N 1 1 354.410 3.196 20 5 FGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000590602806 506876569 /nfs/dbraw/zinc/87/65/69/506876569.db2.gz XSROIQSGUIVADK-LSDHHAIUSA-N 1 1 354.410 3.196 20 5 FGBDMO Cc1ccccc1C[NH+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000609442486 506883136 /nfs/dbraw/zinc/88/31/36/506883136.db2.gz LHSVDEMZJJCINW-UHFFFAOYSA-N 1 1 357.385 3.000 20 5 FGBDMO O=C(NCc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000609451711 506886813 /nfs/dbraw/zinc/88/68/13/506886813.db2.gz PZTBBVXIRSXVCV-GOSISDBHSA-N 1 1 374.485 3.439 20 5 FGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)cc1 ZINC000590748356 506936429 /nfs/dbraw/zinc/93/64/29/506936429.db2.gz QPHXYRWHESWSMW-UXHICEINSA-N 1 1 374.412 3.164 20 5 FGBDMO CC[C@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000609625707 506952223 /nfs/dbraw/zinc/95/22/23/506952223.db2.gz QCLWXLIVNCUZBT-XLIONFOSSA-N 1 1 356.422 3.344 20 5 FGBDMO O=[N+]([O-])c1cc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cs1 ZINC000609707663 506980582 /nfs/dbraw/zinc/98/05/82/506980582.db2.gz PEOQMQLJPGSMJT-TZMCWYRMSA-N 1 1 360.357 3.280 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594196777 507001022 /nfs/dbraw/zinc/00/10/22/507001022.db2.gz MNGRRQJRGJQDRC-NZSAHSFTSA-N 1 1 359.470 3.297 20 5 FGBDMO Cn1cc[nH+]c1C[C@H](Nc1nc2sccn2c1[N+](=O)[O-])c1ccccc1 ZINC000610282373 507177010 /nfs/dbraw/zinc/17/70/10/507177010.db2.gz PIDNBTWKLVXLNR-ZDUSSCGKSA-N 1 1 368.422 3.433 20 5 FGBDMO O=C(c1cc(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-])N1CCCC1 ZINC000594598039 507202565 /nfs/dbraw/zinc/20/25/65/507202565.db2.gz GDSVPTJFSMLPAK-HKUYNNGSSA-N 1 1 372.469 3.260 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000594736832 507261800 /nfs/dbraw/zinc/26/18/00/507261800.db2.gz WOKVWELAMXLBDO-CQSZACIVSA-N 1 1 369.412 3.408 20 5 FGBDMO CC(C)(C)C(=O)N1CCC(Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000601104687 507263296 /nfs/dbraw/zinc/26/32/96/507263296.db2.gz CXSJPNJRBNWWOE-UHFFFAOYSA-N 1 1 356.426 3.014 20 5 FGBDMO CC(C)C(=O)NC[C@H]1CCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601111910 507264176 /nfs/dbraw/zinc/26/41/76/507264176.db2.gz ZYAAOBYXBAEUPN-CQSZACIVSA-N 1 1 356.426 3.132 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCCN(Cc4cscn4)CC3)c2c1 ZINC000601110969 507265151 /nfs/dbraw/zinc/26/51/51/507265151.db2.gz MREARPVZCVCSLH-UHFFFAOYSA-N 1 1 369.450 3.312 20 5 FGBDMO CCN1CC[NH+](Cc2ccccc2CNc2ccsc2[N+](=O)[O-])CC1 ZINC000610514703 507273292 /nfs/dbraw/zinc/27/32/92/507273292.db2.gz DAJXCIZBQQDTGJ-UHFFFAOYSA-N 1 1 360.483 3.406 20 5 FGBDMO C[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H](O)C(F)(F)F ZINC000601151115 507279714 /nfs/dbraw/zinc/27/97/14/507279714.db2.gz PHNJCVMHAJAZHC-QPUJVOFHSA-N 1 1 361.345 3.120 20 5 FGBDMO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000598218988 507323251 /nfs/dbraw/zinc/32/32/51/507323251.db2.gz KGZVXBCOPAVCJU-INIZCTEOSA-N 1 1 370.453 3.073 20 5 FGBDMO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000598220458 507324489 /nfs/dbraw/zinc/32/44/89/507324489.db2.gz PKWBWMVPCODEQV-INIZCTEOSA-N 1 1 372.469 3.306 20 5 FGBDMO C[C@H](C[NH+]1CCC(C)CC1)NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000594979294 507340144 /nfs/dbraw/zinc/34/01/44/507340144.db2.gz INWYUTDJLDLOQX-MRXNPFEDSA-N 1 1 371.485 3.205 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCc1cccc(OCC[NH+](C)C)c1 ZINC000595008155 507351845 /nfs/dbraw/zinc/35/18/45/507351845.db2.gz BIBGTROIJZWELI-HNNXBMFYSA-N 1 1 373.453 3.395 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)C1=O ZINC000595013071 507353362 /nfs/dbraw/zinc/35/33/62/507353362.db2.gz GUDIPORSOCUVAS-KSSFIOAISA-N 1 1 369.421 3.055 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000595021573 507357691 /nfs/dbraw/zinc/35/76/91/507357691.db2.gz PSCFCYGNODUNCY-JTQLQIEISA-N 1 1 358.320 3.213 20 5 FGBDMO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000610803535 507395707 /nfs/dbraw/zinc/39/57/07/507395707.db2.gz BTUWWBHOHYJWJR-LPHOPBHVSA-N 1 1 368.437 3.050 20 5 FGBDMO O=[N+]([O-])c1ncccc1N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000610808058 507397885 /nfs/dbraw/zinc/39/78/85/507397885.db2.gz YENNRJQWIPSLHT-ZWKOTPCHSA-N 1 1 352.438 3.481 20 5 FGBDMO CCCN(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](C)C1 ZINC000591963175 507431414 /nfs/dbraw/zinc/43/14/14/507431414.db2.gz QZPMQCPYRKUIIF-GOSISDBHSA-N 1 1 362.474 3.043 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])c(OC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)n1 ZINC000584689499 507451889 /nfs/dbraw/zinc/45/18/89/507451889.db2.gz QRCGJHDGIXANBP-GOSISDBHSA-N 1 1 371.437 3.277 20 5 FGBDMO O=C(NC1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1)C1CCCCC1 ZINC000595360308 507470656 /nfs/dbraw/zinc/47/06/56/507470656.db2.gz FBJNISNVJIQUOA-UHFFFAOYSA-N 1 1 363.433 3.395 20 5 FGBDMO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000598558773 507486121 /nfs/dbraw/zinc/48/61/21/507486121.db2.gz DCJXNQXZJFPWIL-CYBMUJFWSA-N 1 1 351.834 3.100 20 5 FGBDMO COc1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)cn1 ZINC000592130757 507496591 /nfs/dbraw/zinc/49/65/91/507496591.db2.gz MSPDRYFXOMATMA-IYARVYRRSA-N 1 1 371.437 3.304 20 5 FGBDMO COc1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)cn1 ZINC000592130757 507496597 /nfs/dbraw/zinc/49/65/97/507496597.db2.gz MSPDRYFXOMATMA-IYARVYRRSA-N 1 1 371.437 3.304 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(c2ccccn2)CC1 ZINC000611090444 507512582 /nfs/dbraw/zinc/51/25/82/507512582.db2.gz WIINEIXWQSGCCJ-AWEZNQCLSA-N 1 1 354.410 3.196 20 5 FGBDMO Cc1noc(CN[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1[N+](=O)[O-] ZINC000595473298 507516898 /nfs/dbraw/zinc/51/68/98/507516898.db2.gz ABMGRYDEYCTVGD-KRWDZBQOSA-N 1 1 358.442 3.282 20 5 FGBDMO C[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000595481028 507522797 /nfs/dbraw/zinc/52/27/97/507522797.db2.gz MZABUVNBHPUDAI-GOEBONIOSA-N 1 1 360.458 3.362 20 5 FGBDMO Cc1noc(C[NH2+][C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000595488794 507527607 /nfs/dbraw/zinc/52/76/07/507527607.db2.gz MLWUWGFNPJDXBP-CJNGLKHVSA-N 1 1 368.796 3.219 20 5 FGBDMO CC[N@@H+](CCSC)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000592201153 507533604 /nfs/dbraw/zinc/53/36/04/507533604.db2.gz CLZACVODZAJBNG-UHFFFAOYSA-N 1 1 350.387 3.390 20 5 FGBDMO COc1ccc(OCC[N@@H+]2C[C@@H](C)OC3(CCCC3)C2)c([N+](=O)[O-])c1 ZINC000592196969 507534422 /nfs/dbraw/zinc/53/44/22/507534422.db2.gz ZYQHMUOAJHHBCJ-CQSZACIVSA-N 1 1 350.415 3.016 20 5 FGBDMO COc1ccc(OCC[N@H+]2C[C@@H](C)OC3(CCCC3)C2)c([N+](=O)[O-])c1 ZINC000592196969 507534429 /nfs/dbraw/zinc/53/44/29/507534429.db2.gz ZYQHMUOAJHHBCJ-CQSZACIVSA-N 1 1 350.415 3.016 20 5 FGBDMO Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000595545183 507553140 /nfs/dbraw/zinc/55/31/40/507553140.db2.gz PUHHXXBBWDJDLT-WBVHZDCISA-N 1 1 374.485 3.385 20 5 FGBDMO Cc1cc(C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)nc(C)n1 ZINC000595560342 507562096 /nfs/dbraw/zinc/56/20/96/507562096.db2.gz ATNSHLNERAFGEG-WGSAOQKQSA-N 1 1 370.453 3.307 20 5 FGBDMO Cc1cc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)nc(C)n1 ZINC000595560342 507562102 /nfs/dbraw/zinc/56/21/02/507562102.db2.gz ATNSHLNERAFGEG-WGSAOQKQSA-N 1 1 370.453 3.307 20 5 FGBDMO CCCCCn1cc(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(C)n1 ZINC000611243919 507576320 /nfs/dbraw/zinc/57/63/20/507576320.db2.gz KJXUXZFXYSROJH-UHFFFAOYSA-N 1 1 374.441 3.351 20 5 FGBDMO CCS[C@H]1CC[C@H]([N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611276252 507601566 /nfs/dbraw/zinc/60/15/66/507601566.db2.gz FPNPKRMUPQCHBG-KBPBESRZSA-N 1 1 352.456 3.472 20 5 FGBDMO Cc1c(C[N@@H+](Cc2ccccc2)[C@]2(CO)CCOC2)cccc1[N+](=O)[O-] ZINC000585718494 507604225 /nfs/dbraw/zinc/60/42/25/507604225.db2.gz ILYGXOSRDQCTLP-FQEVSTJZSA-N 1 1 356.422 3.057 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000611303437 507613440 /nfs/dbraw/zinc/61/34/40/507613440.db2.gz NHDLCHHODUEDNL-AWEZNQCLSA-N 1 1 361.442 3.444 20 5 FGBDMO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)NCc1cccs1 ZINC000592375489 507624974 /nfs/dbraw/zinc/62/49/74/507624974.db2.gz VSSKWKDIJODNDM-OAHLLOKOSA-N 1 1 367.858 3.494 20 5 FGBDMO C[C@H]1CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])[C@@H]1CCO ZINC000595687925 507627388 /nfs/dbraw/zinc/62/73/88/507627388.db2.gz FXGXMIIFTIAYTC-SMDDNHRTSA-N 1 1 357.248 3.340 20 5 FGBDMO C[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])[C@@H]1CCO ZINC000595687925 507627399 /nfs/dbraw/zinc/62/73/99/507627399.db2.gz FXGXMIIFTIAYTC-SMDDNHRTSA-N 1 1 357.248 3.340 20 5 FGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000611350856 507636143 /nfs/dbraw/zinc/63/61/43/507636143.db2.gz VFKZCVPHFVGXHA-BZUAXINKSA-N 1 1 361.442 3.060 20 5 FGBDMO COc1ccc(OCC[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000611350172 507636858 /nfs/dbraw/zinc/63/68/58/507636858.db2.gz DGUGGHSJRGOSRV-HZPDHXFCSA-N 1 1 364.442 3.121 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](CCF)C1 ZINC000595755214 507669849 /nfs/dbraw/zinc/66/98/49/507669849.db2.gz INEACRAQZPVSFH-CYBMUJFWSA-N 1 1 353.394 3.004 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC2(CCCC2)OC[C@@H]1C ZINC000595816451 507699309 /nfs/dbraw/zinc/69/93/09/507699309.db2.gz XFOAYDAYPQQGCG-HNNXBMFYSA-N 1 1 361.442 3.265 20 5 FGBDMO Cc1cc(Nc2cc(N)c([N+](=O)[O-])c(CO)c2)c[nH+]c1N1CCCC[C@H]1C ZINC000588013898 507732700 /nfs/dbraw/zinc/73/27/00/507732700.db2.gz ZZWYZMMOOIBWGN-CYBMUJFWSA-N 1 1 371.441 3.495 20 5 FGBDMO CN(CCC[N@@H+](C)Cc1ccco1)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000588083399 507754700 /nfs/dbraw/zinc/75/47/00/507754700.db2.gz MRUWVUGVBABFTR-UHFFFAOYSA-N 1 1 355.398 3.089 20 5 FGBDMO C[NH+](C)[C@@H](C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1 ZINC000570442373 568476675 /nfs/dbraw/zinc/47/66/75/568476675.db2.gz KIHZOQACGYDGFQ-LJQANCHMSA-N 1 1 366.421 3.038 20 5 FGBDMO C[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2nn[nH]n2)cc1 ZINC000824614232 608462444 /nfs/dbraw/zinc/46/24/44/608462444.db2.gz ZTSWIPYCGMGDOS-SNVBAGLBSA-N 1 1 358.789 3.279 20 5 FGBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000153653392 705007607 /nfs/dbraw/zinc/00/76/07/705007607.db2.gz OCLNNCLIICKWRY-AWEZNQCLSA-N 1 1 350.444 3.101 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000175542331 705551603 /nfs/dbraw/zinc/55/16/03/705551603.db2.gz HMKIYICTRNYDPU-BETUJISGSA-N 1 1 353.850 3.346 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCS[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000176826085 705593107 /nfs/dbraw/zinc/59/31/07/705593107.db2.gz DVCJBEKVZCCGFK-HOTGVXAUSA-N 1 1 359.455 3.171 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CCS[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000176826085 705593109 /nfs/dbraw/zinc/59/31/09/705593109.db2.gz DVCJBEKVZCCGFK-HOTGVXAUSA-N 1 1 359.455 3.171 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCO[C@]3(CCOC3)C2)s1 ZINC000187548132 712746095 /nfs/dbraw/zinc/74/60/95/712746095.db2.gz SEGVEMLQABVENX-GOSISDBHSA-N 1 1 360.435 3.315 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCO[C@]3(CCOC3)C2)s1 ZINC000187548132 712746098 /nfs/dbraw/zinc/74/60/98/712746098.db2.gz SEGVEMLQABVENX-GOSISDBHSA-N 1 1 360.435 3.315 20 5 FGBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000579539365 714493941 /nfs/dbraw/zinc/49/39/41/714493941.db2.gz KCUPPUPYOICRGL-LBPRGKRZSA-N 1 1 356.854 3.168 20 5 FGBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000732135267 722481616 /nfs/dbraw/zinc/48/16/16/722481616.db2.gz GDWVFGPQPMMYQZ-ZDUSSCGKSA-N 1 1 351.422 3.364 20 5 FGBDMO O=C(C[NH+]1CCc2ccccc2CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000734835643 722510445 /nfs/dbraw/zinc/51/04/45/722510445.db2.gz DCEVZXBZHQIDJP-UHFFFAOYSA-N 1 1 359.813 3.288 20 5 FGBDMO CC[N@@H+](C)C[C@@H]1CCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000743398545 722566900 /nfs/dbraw/zinc/56/69/00/722566900.db2.gz IYVYZBNRPCIYQP-LBPRGKRZSA-N 1 1 350.444 3.103 20 5 FGBDMO CCc1ccc([C@@H]([NH2+]CC[S@](=O)CC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000753665745 722908734 /nfs/dbraw/zinc/90/87/34/722908734.db2.gz UEXZETZEPHPTGB-BXKMTCNYSA-N 1 1 350.440 3.198 20 5 FGBDMO Cc1[nH+]ccn1CCCOC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790740352 723172356 /nfs/dbraw/zinc/17/23/56/723172356.db2.gz JMYKUITUVPXBJS-UHFFFAOYSA-N 1 1 355.753 3.068 20 5 FGBDMO O=[N+]([O-])c1ccc(Br)c2c1C[N@H+](CC[C@@H]1CCCO1)CC2 ZINC000792890713 723377608 /nfs/dbraw/zinc/37/76/08/723377608.db2.gz ADWYQAKRECRNMT-NSHDSACASA-N 1 1 355.232 3.285 20 5 FGBDMO O=[N+]([O-])c1ccc(Br)c2c1C[N@@H+](CC[C@@H]1CCCO1)CC2 ZINC000792890713 723377609 /nfs/dbraw/zinc/37/76/09/723377609.db2.gz ADWYQAKRECRNMT-NSHDSACASA-N 1 1 355.232 3.285 20 5 FGBDMO CCC1(CC)C[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CCS1 ZINC000767479859 723620745 /nfs/dbraw/zinc/62/07/45/723620745.db2.gz RKXUXIISEMGHCK-UHFFFAOYSA-N 1 1 361.471 3.418 20 5 FGBDMO CCC1(CC)C[N@@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CCS1 ZINC000767479859 723620746 /nfs/dbraw/zinc/62/07/46/723620746.db2.gz RKXUXIISEMGHCK-UHFFFAOYSA-N 1 1 361.471 3.418 20 5 FGBDMO COC(=O)[C@]1(C(F)(F)F)CC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000796301514 723631456 /nfs/dbraw/zinc/63/14/56/723631456.db2.gz ARAFKSDOOMSVRK-NHYWBVRUSA-N 1 1 360.332 3.392 20 5 FGBDMO C[N@@H+](CCOC(=O)c1cc(F)cc([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000769102738 723676813 /nfs/dbraw/zinc/67/68/13/723676813.db2.gz PQVZOQODMLXTLQ-UHFFFAOYSA-N 1 1 350.321 3.162 20 5 FGBDMO CN(Cc1c(Br)cccc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CC2)C1 ZINC000769326309 723682538 /nfs/dbraw/zinc/68/25/38/723682538.db2.gz ITOSGXGRTDTDLM-LBPRGKRZSA-N 1 1 354.248 3.026 20 5 FGBDMO C[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])s2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798523759 723940488 /nfs/dbraw/zinc/94/04/88/723940488.db2.gz OULKPVWYUZVKKG-SFHVURJKSA-N 1 1 359.451 3.298 20 5 FGBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+](Cc2cccs2)C[C@H]2CCCO2)cc1 ZINC000776270249 724126676 /nfs/dbraw/zinc/12/66/76/724126676.db2.gz BEVBYOWNAICSBB-AEFFLSMTSA-N 1 1 362.451 3.371 20 5 FGBDMO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H](c2nccs2)c2ccccc2)cc1 ZINC000776586174 724162404 /nfs/dbraw/zinc/16/24/04/724162404.db2.gz CSMXPWSWEHWJOA-IAGOWNOFSA-N 1 1 355.419 3.464 20 5 FGBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+](CCCO)Cc2cccc(Cl)c2)cc1 ZINC000776592666 724162924 /nfs/dbraw/zinc/16/29/24/724162924.db2.gz XFTWOYWULATHHU-SFHVURJKSA-N 1 1 364.829 3.166 20 5 FGBDMO C[NH+](C)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)cc1Cl ZINC000801971794 724352220 /nfs/dbraw/zinc/35/22/20/724352220.db2.gz AAOIWSMTWATQED-UHFFFAOYSA-N 1 1 366.780 3.283 20 5 FGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000785743489 724934853 /nfs/dbraw/zinc/93/48/53/724934853.db2.gz LXYONQYZXHXVIA-ZIAGYGMSSA-N 1 1 350.415 3.298 20 5 FGBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc([N+](=O)[O-])c(Cl)c3)CC2)n1 ZINC000787287839 725023658 /nfs/dbraw/zinc/02/36/58/725023658.db2.gz ACRODMINOWWRAR-UHFFFAOYSA-N 1 1 365.777 3.190 20 5 FGBDMO Cc1ccc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])c1Br ZINC000787897962 725040354 /nfs/dbraw/zinc/04/03/54/725040354.db2.gz FDOVDESFCUZQLF-NEPJUHHUSA-N 1 1 354.248 3.339 20 5 FGBDMO C[C@@]1(CCCO)CCC[N@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000809757936 725265906 /nfs/dbraw/zinc/26/59/06/725265906.db2.gz WOPNWZRRDZGVIO-HNNXBMFYSA-N 1 1 357.248 3.484 20 5 FGBDMO CC1(C)CCC[N@@H+](CCNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000809916294 725275753 /nfs/dbraw/zinc/27/57/53/725275753.db2.gz YYMVMXCRJMAKDO-UHFFFAOYSA-N 1 1 354.838 3.492 20 5 FGBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000811894210 725384229 /nfs/dbraw/zinc/38/42/29/725384229.db2.gz WHIUTQVJAHTUML-LBPRGKRZSA-N 1 1 356.854 3.168 20 5 FGBDMO O=C(CCc1cccs1)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172919 726846043 /nfs/dbraw/zinc/84/60/43/726846043.db2.gz PTNCGDSAADLIKA-INIZCTEOSA-N 1 1 360.435 3.407 20 5 FGBDMO O=C(CCc1cccs1)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172919 726846047 /nfs/dbraw/zinc/84/60/47/726846047.db2.gz PTNCGDSAADLIKA-INIZCTEOSA-N 1 1 360.435 3.407 20 5 FGBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813453573 726878706 /nfs/dbraw/zinc/87/87/06/726878706.db2.gz KXKKONLYWLMHHI-JTQLQIEISA-N 1 1 360.241 3.315 20 5 FGBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)cc1 ZINC000815206617 727052245 /nfs/dbraw/zinc/05/22/45/727052245.db2.gz AQIXXZJQHXCFQU-ZWKOTPCHSA-N 1 1 362.813 3.435 20 5 FGBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)cc1 ZINC000815206614 727052332 /nfs/dbraw/zinc/05/23/32/727052332.db2.gz AQIXXZJQHXCFQU-ROUUACIJSA-N 1 1 362.813 3.435 20 5 FGBDMO COc1cc2c(cc1Cl)C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000815259630 727059176 /nfs/dbraw/zinc/05/91/76/727059176.db2.gz CTBXDZUQCFBCGH-QGZVFWFLSA-N 1 1 362.813 3.349 20 5 FGBDMO COc1cc2c(cc1Cl)C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000815259630 727059180 /nfs/dbraw/zinc/05/91/80/727059180.db2.gz CTBXDZUQCFBCGH-QGZVFWFLSA-N 1 1 362.813 3.349 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)c1F ZINC000822059968 729143549 /nfs/dbraw/zinc/14/35/49/729143549.db2.gz XQHBJICCIPZDND-PWSUYJOCSA-N 1 1 355.385 3.032 20 5 FGBDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1cccc(-c2nn[nH]n2)c1 ZINC000824618601 729351274 /nfs/dbraw/zinc/35/12/74/729351274.db2.gz PZLQAZVHEUFRKJ-JTQLQIEISA-N 1 1 358.789 3.279 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)c1F ZINC000824627360 729351499 /nfs/dbraw/zinc/35/14/99/729351499.db2.gz LJTNSQNQNBUABD-GFCCVEGCSA-N 1 1 355.385 3.032 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c1F ZINC000828831080 729448516 /nfs/dbraw/zinc/44/85/16/729448516.db2.gz VODBMWOMQTVOQG-LBPRGKRZSA-N 1 1 355.385 3.128 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1Cl ZINC000836735010 729967641 /nfs/dbraw/zinc/96/76/41/729967641.db2.gz QLGXAAKKXPHCHS-AWEZNQCLSA-N 1 1 365.861 3.361 20 5 FGBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000837188317 730004331 /nfs/dbraw/zinc/00/43/31/730004331.db2.gz DJZVTLDRKSCVIX-LLVKDONJSA-N 1 1 360.241 3.456 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CCSC[C@H]2C2CCC2)o1 ZINC000878719083 736910679 /nfs/dbraw/zinc/91/06/79/736910679.db2.gz PSJJHDNKERBHPY-HNNXBMFYSA-N 1 1 360.439 3.362 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CCSC[C@H]2C2CCC2)o1 ZINC000878719083 736910683 /nfs/dbraw/zinc/91/06/83/736910683.db2.gz PSJJHDNKERBHPY-HNNXBMFYSA-N 1 1 360.439 3.362 20 5 FGBDMO C[C@@H]1[C@H](C)N(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000844643399 730745452 /nfs/dbraw/zinc/74/54/52/730745452.db2.gz QYXLEPQYIPDYFL-AEJSXWLSSA-N 1 1 360.241 3.455 20 5 FGBDMO O=[N+]([O-])c1cn(C[N@@H+]2CCSC3(CCC3)CC2)nc1-c1ccccn1 ZINC000853514542 731716126 /nfs/dbraw/zinc/71/61/26/731716126.db2.gz DYPXOEDHHADEMK-UHFFFAOYSA-N 1 1 359.455 3.172 20 5 FGBDMO O=[N+]([O-])c1cn(C[N@H+]2CCSC3(CCC3)CC2)nc1-c1ccccn1 ZINC000853514542 731716128 /nfs/dbraw/zinc/71/61/28/731716128.db2.gz DYPXOEDHHADEMK-UHFFFAOYSA-N 1 1 359.455 3.172 20 5 FGBDMO CC[N@@H+](C)Cc1cc(O[C@@H]2CCN(c3sccc3[N+](=O)[O-])C2)ccn1 ZINC000856533924 732037331 /nfs/dbraw/zinc/03/73/31/732037331.db2.gz RLXDFFMVGVYYHZ-OAHLLOKOSA-N 1 1 362.455 3.161 20 5 FGBDMO C[C@H]1CN(c2cccc(Br)c2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000856761169 732055861 /nfs/dbraw/zinc/05/58/61/732055861.db2.gz VRHZXGIFUKATFV-LLVKDONJSA-N 1 1 354.248 3.278 20 5 FGBDMO COC(=O)[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H]2CCC[C@H]21 ZINC000859952127 732421868 /nfs/dbraw/zinc/42/18/68/732421868.db2.gz SEJHWJVDDQGYTJ-SQWLQELKSA-N 1 1 352.818 3.412 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H]2CCC[C@H]21 ZINC000859952127 732421869 /nfs/dbraw/zinc/42/18/69/732421869.db2.gz SEJHWJVDDQGYTJ-SQWLQELKSA-N 1 1 352.818 3.412 20 5 FGBDMO COCCC1CC[NH+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 ZINC000863269363 732935799 /nfs/dbraw/zinc/93/57/99/732935799.db2.gz FMSWOVXJPJTMBL-UHFFFAOYSA-N 1 1 352.822 3.304 20 5 FGBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000875882657 736034687 /nfs/dbraw/zinc/03/46/87/736034687.db2.gz COMDQEDTVKQXNA-LBPRGKRZSA-N 1 1 353.369 3.010 20 5 FGBDMO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H](CCc3ccccc3)C(F)F)C2)c1 ZINC000877654186 736700754 /nfs/dbraw/zinc/70/07/54/736700754.db2.gz WPJCCIUDAUXKJH-XUJLQICISA-N 1 1 350.369 3.351 20 5 FGBDMO C[C@]12CC[N@H+](Cc3nnc(-c4ccccc4[N+](=O)[O-])o3)C[C@H]1C2(F)F ZINC000878638289 736902948 /nfs/dbraw/zinc/90/29/48/736902948.db2.gz QAKBTNGSQDURKF-DOMZBBRYSA-N 1 1 350.325 3.122 20 5 FGBDMO C[C@]12CC[N@@H+](Cc3nnc(-c4ccccc4[N+](=O)[O-])o3)C[C@H]1C2(F)F ZINC000878638289 736902952 /nfs/dbraw/zinc/90/29/52/736902952.db2.gz QAKBTNGSQDURKF-DOMZBBRYSA-N 1 1 350.325 3.122 20 5 FGBDMO COc1cccc2c1CC[C@]2(CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000880380072 737167321 /nfs/dbraw/zinc/16/73/21/737167321.db2.gz GEQGFDIOJOOFTR-GOSISDBHSA-N 1 1 362.813 3.180 20 5 FGBDMO COC(=O)COc1ccc(C[NH2+]Cc2cscc2Cl)cc1[N+](=O)[O-] ZINC000886199263 739228259 /nfs/dbraw/zinc/22/82/59/739228259.db2.gz QBLDSTPOPFDOMX-UHFFFAOYSA-N 1 1 370.814 3.151 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@]3(CO)CCC[C@@H]23)ccc1Br ZINC000886632638 739277073 /nfs/dbraw/zinc/27/70/73/739277073.db2.gz ACVITHOHQZKIAW-HUUCEWRRSA-N 1 1 355.232 3.094 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@]3(CO)CCC[C@@H]23)ccc1Br ZINC000886632638 739277083 /nfs/dbraw/zinc/27/70/83/739277083.db2.gz ACVITHOHQZKIAW-HUUCEWRRSA-N 1 1 355.232 3.094 20 5 FGBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886828190 739307306 /nfs/dbraw/zinc/30/73/06/739307306.db2.gz YZAWSSFKKKQYBJ-BFQNTYOBSA-N 1 1 367.833 3.076 20 5 FGBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886828190 739307310 /nfs/dbraw/zinc/30/73/10/739307310.db2.gz YZAWSSFKKKQYBJ-BFQNTYOBSA-N 1 1 367.833 3.076 20 5 FGBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000888288570 739497430 /nfs/dbraw/zinc/49/74/30/739497430.db2.gz QMVFIPPSQTVZNT-VXGBXAGGSA-N 1 1 352.822 3.305 20 5 FGBDMO CC(C)(C)OC(=O)NC1CC[NH+](CCNc2sccc2[N+](=O)[O-])CC1 ZINC000895490590 742418769 /nfs/dbraw/zinc/41/87/69/742418769.db2.gz BRIHWLOCLNMVSF-UHFFFAOYSA-N 1 1 370.475 3.057 20 5 FGBDMO COc1ccc(C2=NO[C@@H](C[NH2+]Cc3csc([N+](=O)[O-])c3)C2)cc1F ZINC000895502320 742420061 /nfs/dbraw/zinc/42/00/61/742420061.db2.gz AZFVAWIMWKINEK-GFCCVEGCSA-N 1 1 365.386 3.087 20 5 FGBDMO CCO/C=C\[C@@](O)(C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000895716246 742445774 /nfs/dbraw/zinc/44/57/74/742445774.db2.gz AIPQPTWTPGDWPD-CFHLNLSMSA-N 1 1 368.739 3.181 20 5 FGBDMO Cc1c([C@H](C)[NH2+]Cc2cn(C)nc2Br)cccc1[N+](=O)[O-] ZINC000903188165 743819794 /nfs/dbraw/zinc/81/97/94/743819794.db2.gz AWGONJYDAABVEV-JTQLQIEISA-N 1 1 353.220 3.250 20 5 FGBDMO O=[N+]([O-])c1ccc(Br)c(C[N@H+]2CCC3(C2)CCOCC3)c1 ZINC000929756081 760450501 /nfs/dbraw/zinc/45/05/01/760450501.db2.gz BZJRHNMGNMFAQE-UHFFFAOYSA-N 1 1 355.232 3.360 20 5 FGBDMO Cn1ccnc1[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000930092755 760528786 /nfs/dbraw/zinc/52/87/86/760528786.db2.gz DGRHEBPJUJWVQP-NSHDSACASA-N 1 1 365.231 3.080 20 5 FGBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000931298075 760820263 /nfs/dbraw/zinc/82/02/63/760820263.db2.gz VJPBSMWKVTWVIZ-CYBMUJFWSA-N 1 1 366.849 3.444 20 5 FGBDMO O=[N+]([O-])c1ncccc1C[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000932209986 761089610 /nfs/dbraw/zinc/08/96/10/761089610.db2.gz KROSNGIRIDPAKE-CYBMUJFWSA-N 1 1 364.199 3.366 20 5 FGBDMO O=C(c1ccccc1Cl)C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000934421939 761628290 /nfs/dbraw/zinc/62/82/90/761628290.db2.gz UQWKUXGLEJJLSU-UHFFFAOYSA-N 1 1 362.817 3.040 20 5 FGBDMO C[C@H](NC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000108469203 209287790 /nfs/dbraw/zinc/28/77/90/209287790.db2.gz JXWUWUQYNBVPHC-XHSDSOJGSA-N 1 1 362.474 3.323 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CC(C)(C)[C@@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000573588964 505572902 /nfs/dbraw/zinc/57/29/02/505572902.db2.gz SOAYOGUASWCRJP-HUUCEWRRSA-N 1 1 362.426 3.157 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](Cc1ccccc1)C[C@]1(O)CCO[C@@H]1C ZINC000573590351 505573723 /nfs/dbraw/zinc/57/37/23/505573723.db2.gz MEZUIDWCWOVPMI-DYESRHJHSA-N 1 1 370.449 3.445 20 5 FGBDMO COc1ccc(OCC[N@H+](C)Cc2cc(C(C)(C)C)n[nH]2)c([N+](=O)[O-])c1 ZINC000579793853 505622161 /nfs/dbraw/zinc/62/21/61/505622161.db2.gz BFLZMCRULICDQY-UHFFFAOYSA-N 1 1 362.430 3.135 20 5 FGBDMO COc1ccc(OCC[N@@H+](C)Cc2cc(C(C)(C)C)n[nH]2)c([N+](=O)[O-])c1 ZINC000579793853 505622164 /nfs/dbraw/zinc/62/21/64/505622164.db2.gz BFLZMCRULICDQY-UHFFFAOYSA-N 1 1 362.430 3.135 20 5 FGBDMO C[C@@H](C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000571143171 505663263 /nfs/dbraw/zinc/66/32/63/505663263.db2.gz MAPGPDHHNYMMDQ-BEFAXECRSA-N 1 1 353.422 3.214 20 5 FGBDMO C[C@@H](C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000571143171 505663265 /nfs/dbraw/zinc/66/32/65/505663265.db2.gz MAPGPDHHNYMMDQ-BEFAXECRSA-N 1 1 353.422 3.214 20 5 FGBDMO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000068217027 493780884 /nfs/dbraw/zinc/78/08/84/493780884.db2.gz CGAPDGXRENWVAN-KRWDZBQOSA-N 1 1 371.412 3.262 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)c1 ZINC000081122555 493836399 /nfs/dbraw/zinc/83/63/99/493836399.db2.gz KCTHXRARYXLVMU-KRWDZBQOSA-N 1 1 353.422 3.250 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(F)cc1 ZINC000003541980 493852701 /nfs/dbraw/zinc/85/27/01/493852701.db2.gz CWGOZKRFECONKK-LBPRGKRZSA-N 1 1 361.373 3.202 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(F)cc1 ZINC000003541980 493852703 /nfs/dbraw/zinc/85/27/03/493852703.db2.gz CWGOZKRFECONKK-LBPRGKRZSA-N 1 1 361.373 3.202 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000076387841 493881283 /nfs/dbraw/zinc/88/12/83/493881283.db2.gz PMFCHNKDUAEAIY-CQSZACIVSA-N 1 1 359.451 3.393 20 5 FGBDMO Cc1cccc([C@H]2CCC[N@H+]2C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000059744545 493908587 /nfs/dbraw/zinc/90/85/87/493908587.db2.gz KZIYBOAVCOZBAA-AZUAARDMSA-N 1 1 356.422 3.480 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCN(C)c3ccccc3C2)cccc1[N+](=O)[O-] ZINC000069088664 493919947 /nfs/dbraw/zinc/91/99/47/493919947.db2.gz AQOGSLSUWPJRTB-OAHLLOKOSA-N 1 1 368.437 3.182 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCN(C)c3ccccc3C2)cccc1[N+](=O)[O-] ZINC000069088664 493919949 /nfs/dbraw/zinc/91/99/49/493919949.db2.gz AQOGSLSUWPJRTB-OAHLLOKOSA-N 1 1 368.437 3.182 20 5 FGBDMO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)s1 ZINC000051099110 493949666 /nfs/dbraw/zinc/94/96/66/493949666.db2.gz QWSTUOCQIHXMDI-UHFFFAOYSA-N 1 1 359.451 3.359 20 5 FGBDMO C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000076732751 493961372 /nfs/dbraw/zinc/96/13/72/493961372.db2.gz KVDJIJKENSLBCY-GFCCVEGCSA-N 1 1 361.829 3.410 20 5 FGBDMO COc1ccc(CN2CCC[N@@H+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000051508061 493973716 /nfs/dbraw/zinc/97/37/16/493973716.db2.gz FHCGOCDMVZTMJW-UHFFFAOYSA-N 1 1 355.438 3.311 20 5 FGBDMO Cc1sc(C(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000032401540 493985954 /nfs/dbraw/zinc/98/59/54/493985954.db2.gz CDXALOONXWJMQY-UHFFFAOYSA-N 1 1 359.451 3.143 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000052821909 494064913 /nfs/dbraw/zinc/06/49/13/494064913.db2.gz XBFHVHHZWJRNSD-OAHLLOKOSA-N 1 1 374.397 3.066 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000008351280 494085895 /nfs/dbraw/zinc/08/58/95/494085895.db2.gz XMWUPQHRPOTHFD-CQSZACIVSA-N 1 1 351.472 3.068 20 5 FGBDMO COc1cccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000008492560 494093524 /nfs/dbraw/zinc/09/35/24/494093524.db2.gz MAAIZINJVMOERS-CYBMUJFWSA-N 1 1 373.409 3.071 20 5 FGBDMO COc1cccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000008492560 494093528 /nfs/dbraw/zinc/09/35/28/494093528.db2.gz MAAIZINJVMOERS-CYBMUJFWSA-N 1 1 373.409 3.071 20 5 FGBDMO Cc1csc2nc(C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C(C)C)cc(=O)n12 ZINC000064350368 494116414 /nfs/dbraw/zinc/11/64/14/494116414.db2.gz UPNRKKHBSCARMG-UHFFFAOYSA-N 1 1 372.450 3.383 20 5 FGBDMO CCC(CC)[N@@H+](CCOC)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000064806139 494151091 /nfs/dbraw/zinc/15/10/91/494151091.db2.gz JEPKTJAYJBQDBT-UHFFFAOYSA-N 1 1 357.838 3.324 20 5 FGBDMO O=C(C[N@H+]1CCC[C@@H]1c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000010340753 494151526 /nfs/dbraw/zinc/15/15/26/494151526.db2.gz SLQHUWYKOXOXKZ-GOSISDBHSA-N 1 1 351.406 3.321 20 5 FGBDMO Cc1cccc([C@H](C)[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000072685759 494233417 /nfs/dbraw/zinc/23/34/17/494233417.db2.gz CSIKYFIHKYEENJ-INIZCTEOSA-N 1 1 353.422 3.422 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000065781677 494236643 /nfs/dbraw/zinc/23/66/43/494236643.db2.gz GFCLAQBNVXBSTD-OAHLLOKOSA-N 1 1 371.441 3.195 20 5 FGBDMO C[C@H]1C[NH+](Cc2cccc(NC(=O)c3ccccc3[N+](=O)[O-])c2)C[C@H](C)O1 ZINC000078152598 494243615 /nfs/dbraw/zinc/24/36/15/494243615.db2.gz LHOAHGRIOLBGTC-GJZGRUSLSA-N 1 1 369.421 3.456 20 5 FGBDMO COc1ccccc1C[C@@H](C)[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000072772255 494248346 /nfs/dbraw/zinc/24/83/46/494248346.db2.gz NMWOVEKDFLMWIV-OAHLLOKOSA-N 1 1 371.437 3.413 20 5 FGBDMO COc1ccccc1C[C@@H](C)[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000072772255 494248351 /nfs/dbraw/zinc/24/83/51/494248351.db2.gz NMWOVEKDFLMWIV-OAHLLOKOSA-N 1 1 371.437 3.413 20 5 FGBDMO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000072773284 494249185 /nfs/dbraw/zinc/24/91/85/494249185.db2.gz XPNNLBNYAJNQAY-KZULUSFZSA-N 1 1 357.385 3.416 20 5 FGBDMO C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000072773284 494249189 /nfs/dbraw/zinc/24/91/89/494249189.db2.gz XPNNLBNYAJNQAY-KZULUSFZSA-N 1 1 357.385 3.416 20 5 FGBDMO COCCOC[C@@H]1CC[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000072796721 494252322 /nfs/dbraw/zinc/25/23/22/494252322.db2.gz ISYBIHZXJKNFJZ-MRXNPFEDSA-N 1 1 367.445 3.431 20 5 FGBDMO CCS[C@H]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000072838063 494261839 /nfs/dbraw/zinc/26/18/39/494261839.db2.gz HGROMXYPOPZPOK-OCCSQVGLSA-N 1 1 367.471 3.148 20 5 FGBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC2(C1)CCOCC2 ZINC000072898634 494277955 /nfs/dbraw/zinc/27/79/55/494277955.db2.gz YZJADFDYSAPLCY-LBPRGKRZSA-N 1 1 367.833 3.078 20 5 FGBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC2(C1)CCOCC2 ZINC000072898634 494277959 /nfs/dbraw/zinc/27/79/59/494277959.db2.gz YZJADFDYSAPLCY-LBPRGKRZSA-N 1 1 367.833 3.078 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC4(C3)CCOCC4)o2)c1 ZINC000072899011 494278550 /nfs/dbraw/zinc/27/85/50/494278550.db2.gz HWYGGHNYCXHCMJ-UHFFFAOYSA-N 1 1 357.410 3.295 20 5 FGBDMO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000089421184 494304284 /nfs/dbraw/zinc/30/42/84/494304284.db2.gz PCOZRXIDZOOLNG-LBPRGKRZSA-N 1 1 357.414 3.064 20 5 FGBDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)C1 ZINC000073303016 494352988 /nfs/dbraw/zinc/35/29/88/494352988.db2.gz CDWFGPLELBBJAW-CYBMUJFWSA-N 1 1 359.382 3.161 20 5 FGBDMO C[C@H](O)C[C@@H]1COCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000568565716 505722974 /nfs/dbraw/zinc/72/29/74/505722974.db2.gz OYRSMCRJZVYQLW-XJKSGUPXSA-N 1 1 362.451 3.295 20 5 FGBDMO C[C@H](O)C[C@@H]1COCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000568565716 505722979 /nfs/dbraw/zinc/72/29/79/505722979.db2.gz OYRSMCRJZVYQLW-XJKSGUPXSA-N 1 1 362.451 3.295 20 5 FGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c1 ZINC000074046974 494472845 /nfs/dbraw/zinc/47/28/45/494472845.db2.gz HXSMECWDXGQRDD-INIZCTEOSA-N 1 1 355.442 3.292 20 5 FGBDMO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)CC[N@H+]1Cc1ccccc1 ZINC000079553122 494478820 /nfs/dbraw/zinc/47/88/20/494478820.db2.gz SAMSBTVLMAURLN-ZFWWWQNUSA-N 1 1 359.451 3.439 20 5 FGBDMO C[C@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000079556640 494480698 /nfs/dbraw/zinc/48/06/98/494480698.db2.gz CNOLDLPMMXXUPE-MAUKXSAKSA-N 1 1 353.422 3.378 20 5 FGBDMO Cc1ccccc1C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000067131506 494481178 /nfs/dbraw/zinc/48/11/78/494481178.db2.gz UYMGUXANFIKWDY-UHFFFAOYSA-N 1 1 353.422 3.170 20 5 FGBDMO CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000074447056 494538464 /nfs/dbraw/zinc/53/84/64/494538464.db2.gz PTSCLEJVOJKAFU-LJQANCHMSA-N 1 1 353.422 3.331 20 5 FGBDMO CCc1ccc(C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000046721789 494556480 /nfs/dbraw/zinc/55/64/80/494556480.db2.gz MBGAWNQANFUVJE-UHFFFAOYSA-N 1 1 353.422 3.421 20 5 FGBDMO CCc1ccc(C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000046721789 494556483 /nfs/dbraw/zinc/55/64/83/494556483.db2.gz MBGAWNQANFUVJE-UHFFFAOYSA-N 1 1 353.422 3.421 20 5 FGBDMO Cc1cc([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)no1 ZINC000067962825 494711432 /nfs/dbraw/zinc/71/14/32/494711432.db2.gz KURWGEFBJLYABU-QGZVFWFLSA-N 1 1 358.398 3.365 20 5 FGBDMO Cc1cc([C@H]2CCC[N@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)no1 ZINC000067962825 494711437 /nfs/dbraw/zinc/71/14/37/494711437.db2.gz KURWGEFBJLYABU-QGZVFWFLSA-N 1 1 358.398 3.365 20 5 FGBDMO Cc1cc([C@@H]2CCC[N@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)on1 ZINC000067965852 494712398 /nfs/dbraw/zinc/71/23/98/494712398.db2.gz DWHVCYBMUPFARI-INIZCTEOSA-N 1 1 358.398 3.365 20 5 FGBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)ccc1Cl ZINC000131763364 494723404 /nfs/dbraw/zinc/72/34/04/494723404.db2.gz ZZCZHLMQBWJIJR-AWEZNQCLSA-N 1 1 354.834 3.266 20 5 FGBDMO Cc1ccc(C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000025940039 494790186 /nfs/dbraw/zinc/79/01/86/494790186.db2.gz XYHKKNKAGZMCFQ-OAHLLOKOSA-N 1 1 353.422 3.080 20 5 FGBDMO Cc1[nH+]c(N2CCOCC2)ccc1Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000121783442 494859843 /nfs/dbraw/zinc/85/98/43/494859843.db2.gz SQZSHMATVMWZJD-UHFFFAOYSA-N 1 1 350.325 3.157 20 5 FGBDMO C[C@@H](CCO)[N@H+](Cc1ccccc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000093311387 494864793 /nfs/dbraw/zinc/86/47/93/494864793.db2.gz UJWYQDPWGWSIST-HNNXBMFYSA-N 1 1 372.421 3.234 20 5 FGBDMO C[C@@H](CCO)[N@@H+](Cc1ccccc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000093311387 494864799 /nfs/dbraw/zinc/86/47/99/494864799.db2.gz UJWYQDPWGWSIST-HNNXBMFYSA-N 1 1 372.421 3.234 20 5 FGBDMO C[C@H](c1ccc(F)cc1)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000027898761 494889475 /nfs/dbraw/zinc/88/94/75/494889475.db2.gz OOLDPDOTNFXSEU-CYBMUJFWSA-N 1 1 357.385 3.316 20 5 FGBDMO C[C@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000027898761 494889478 /nfs/dbraw/zinc/88/94/78/494889478.db2.gz OOLDPDOTNFXSEU-CYBMUJFWSA-N 1 1 357.385 3.316 20 5 FGBDMO C[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[N@H+]1C ZINC000132540011 494889937 /nfs/dbraw/zinc/88/99/37/494889937.db2.gz ILXFMHOHEGKBFN-ZWNOBZJWSA-N 1 1 359.348 3.168 20 5 FGBDMO CC(C)(C)c1ncc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000093534642 494898398 /nfs/dbraw/zinc/89/83/98/494898398.db2.gz BJUHHIDXBGCMGR-GFCCVEGCSA-N 1 1 361.471 3.430 20 5 FGBDMO CC(C)(C)c1ncc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000093534642 494898400 /nfs/dbraw/zinc/89/84/00/494898400.db2.gz BJUHHIDXBGCMGR-GFCCVEGCSA-N 1 1 361.471 3.430 20 5 FGBDMO COc1ccc(-c2ccc(C[N@@H+]3CCOC[C@H]3C3CC3)o2)c([N+](=O)[O-])c1 ZINC000093645571 494906735 /nfs/dbraw/zinc/90/67/35/494906735.db2.gz HCNHWRSWAYZPEY-SFHVURJKSA-N 1 1 358.394 3.474 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+]3CCOC[C@H]3C3CC3)o2)c([N+](=O)[O-])c1 ZINC000093645571 494906740 /nfs/dbraw/zinc/90/67/40/494906740.db2.gz HCNHWRSWAYZPEY-SFHVURJKSA-N 1 1 358.394 3.474 20 5 FGBDMO COc1cc(C[N@@H+](C)CCc2ncc(C)s2)c([N+](=O)[O-])cc1OC ZINC000093807231 494922788 /nfs/dbraw/zinc/92/27/88/494922788.db2.gz KAACKEMUASLXCV-UHFFFAOYSA-N 1 1 351.428 3.051 20 5 FGBDMO C[C@@H](CNC(=O)CCOc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000110350309 494971400 /nfs/dbraw/zinc/97/14/00/494971400.db2.gz GWLMGAVUWUORAG-INIZCTEOSA-N 1 1 371.437 3.000 20 5 FGBDMO C[C@H](NC(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000111474006 495079605 /nfs/dbraw/zinc/07/96/05/495079605.db2.gz LGUVFKMCFPALSR-HOTGVXAUSA-N 1 1 370.453 3.476 20 5 FGBDMO CCS[C@@H]1CCCC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000112090329 495143324 /nfs/dbraw/zinc/14/33/24/495143324.db2.gz FPYHXMPVKALFID-MRXNPFEDSA-N 1 1 363.483 3.092 20 5 FGBDMO C[C@@H](c1ccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000128822231 495155166 /nfs/dbraw/zinc/15/51/66/495155166.db2.gz MGSYLEWVOUIPAR-ZDUSSCGKSA-N 1 1 373.384 3.379 20 5 FGBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000123595479 495157939 /nfs/dbraw/zinc/15/79/39/495157939.db2.gz PRXGXMJXTUFNAP-INIZCTEOSA-N 1 1 374.485 3.247 20 5 FGBDMO C[C@@H](NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000119538920 495186020 /nfs/dbraw/zinc/18/60/20/495186020.db2.gz VURPKVRZPJCUGY-NEPJUHHUSA-N 1 1 367.396 3.256 20 5 FGBDMO Cc1sc(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000103132898 495196223 /nfs/dbraw/zinc/19/62/23/495196223.db2.gz AICXNCLYYTUTFD-MRXNPFEDSA-N 1 1 373.478 3.259 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000134868735 495212732 /nfs/dbraw/zinc/21/27/32/495212732.db2.gz JIZKUEBESXTUGP-RDJZCZTQSA-N 1 1 353.422 3.296 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000134868758 495212777 /nfs/dbraw/zinc/21/27/77/495212777.db2.gz JIZKUEBESXTUGP-NVXWUHKLSA-N 1 1 353.422 3.296 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ZINC000174125892 495829516 /nfs/dbraw/zinc/82/95/16/495829516.db2.gz OGMFBOLGSDYQLD-UHFFFAOYSA-N 1 1 359.451 3.007 20 5 FGBDMO COc1ccc(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000574582750 505807093 /nfs/dbraw/zinc/80/70/93/505807093.db2.gz MRVHXCAHAQAFQU-OAHLLOKOSA-N 1 1 355.394 3.064 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccccc1 ZINC000180119774 495865504 /nfs/dbraw/zinc/86/55/04/495865504.db2.gz AXBPXOSGNQNRCC-MJGOQNOKSA-N 1 1 373.840 3.352 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000180128811 495870391 /nfs/dbraw/zinc/87/03/91/495870391.db2.gz XNABIERZAJDODG-RDJZCZTQSA-N 1 1 359.813 3.423 20 5 FGBDMO COc1cccc(F)c1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000174221393 495870494 /nfs/dbraw/zinc/87/04/94/495870494.db2.gz FAUALUJUCLUMNU-VXGBXAGGSA-N 1 1 361.373 3.420 20 5 FGBDMO CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@@H]1COc2ccccc2O1 ZINC000176985832 495871543 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QVKOACQLWIQMSO-ABAIWWIYSA-N 1 1 352.822 3.196 20 5 FGBDMO COc1ccc([C@@H]2CC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000155337602 495925256 /nfs/dbraw/zinc/92/52/56/495925256.db2.gz CLAIIOQOIPHKPT-MRXNPFEDSA-N 1 1 369.421 3.422 20 5 FGBDMO COc1ccc(OCC[N@H+](C)Cc2nc3ccccc3n2C)c([N+](=O)[O-])c1 ZINC000177195428 495970753 /nfs/dbraw/zinc/97/07/53/495970753.db2.gz HNRXKCQFAXYLQW-UHFFFAOYSA-N 1 1 370.409 3.001 20 5 FGBDMO COc1ccc(OCC[N@@H+](C)Cc2nc3ccccc3n2C)c([N+](=O)[O-])c1 ZINC000177195428 495970756 /nfs/dbraw/zinc/97/07/56/495970756.db2.gz HNRXKCQFAXYLQW-UHFFFAOYSA-N 1 1 370.409 3.001 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c([N+](=O)[O-])cc1OC ZINC000186449120 496002459 /nfs/dbraw/zinc/00/24/59/496002459.db2.gz GRWROQXMMZNFFV-HXUWFJFHSA-N 1 1 370.405 3.243 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)c([N+](=O)[O-])cc1OC ZINC000186449120 496002465 /nfs/dbraw/zinc/00/24/65/496002465.db2.gz GRWROQXMMZNFFV-HXUWFJFHSA-N 1 1 370.405 3.243 20 5 FGBDMO COc1ccc(C[N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1O ZINC000174626029 496037768 /nfs/dbraw/zinc/03/77/68/496037768.db2.gz FGDZQBCNTLAOOH-UHFFFAOYSA-N 1 1 373.409 3.078 20 5 FGBDMO Nc1ccc(F)c(NC(=O)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000155703360 496040175 /nfs/dbraw/zinc/04/01/75/496040175.db2.gz HKGGPOJZLXKRPD-UHFFFAOYSA-N 1 1 372.400 3.309 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000152296167 496107025 /nfs/dbraw/zinc/10/70/25/496107025.db2.gz GPXQEIXHSGDERW-KRWDZBQOSA-N 1 1 357.410 3.453 20 5 FGBDMO C[C@H](NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000161216268 496129294 /nfs/dbraw/zinc/12/92/94/496129294.db2.gz NTEZIDJAQLLBQJ-INIZCTEOSA-N 1 1 369.465 3.402 20 5 FGBDMO Cc1cccc(C[N@H+](CCn2cc([N+](=O)[O-])cn2)Cc2ccccn2)c1 ZINC000177647275 496144751 /nfs/dbraw/zinc/14/47/51/496144751.db2.gz BETZEJMQBNEHFW-UHFFFAOYSA-N 1 1 351.410 3.197 20 5 FGBDMO Cc1cccc(C[N@@H+](CCn2cc([N+](=O)[O-])cn2)Cc2ccccn2)c1 ZINC000177647275 496144754 /nfs/dbraw/zinc/14/47/54/496144754.db2.gz BETZEJMQBNEHFW-UHFFFAOYSA-N 1 1 351.410 3.197 20 5 FGBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000174937818 496173743 /nfs/dbraw/zinc/17/37/43/496173743.db2.gz GMAUJTYLSOZRMY-KRWDZBQOSA-N 1 1 353.422 3.189 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174949276 496178115 /nfs/dbraw/zinc/17/81/15/496178115.db2.gz QUESMKGRNXOEHF-GOSISDBHSA-N 1 1 367.449 3.497 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C(C)C)c1 ZINC000175001522 496202020 /nfs/dbraw/zinc/20/20/20/496202020.db2.gz XQDZLBFJJGZHKZ-UONOGXRCSA-N 1 1 363.483 3.404 20 5 FGBDMO O=C(CC1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1)N1CCCC1 ZINC000177944430 496261101 /nfs/dbraw/zinc/26/11/01/496261101.db2.gz CPVNITXIOAACBR-UHFFFAOYSA-N 1 1 365.861 3.473 20 5 FGBDMO COc1cc(C[N@H+](CCO)[C@@H]2CCc3ccccc32)c([N+](=O)[O-])cc1F ZINC000184231390 496297140 /nfs/dbraw/zinc/29/71/40/496297140.db2.gz IBSTZYXMGKQPSU-QGZVFWFLSA-N 1 1 360.385 3.224 20 5 FGBDMO COc1cc(C[N@@H+](CCO)[C@@H]2CCc3ccccc32)c([N+](=O)[O-])cc1F ZINC000184231390 496297144 /nfs/dbraw/zinc/29/71/44/496297144.db2.gz IBSTZYXMGKQPSU-QGZVFWFLSA-N 1 1 360.385 3.224 20 5 FGBDMO COc1cc(CN2CC[N@H+](C)C[C@H]2c2ccccc2)c([N+](=O)[O-])cc1F ZINC000184272335 496313993 /nfs/dbraw/zinc/31/39/93/496313993.db2.gz ZLZGBCCTRFYHHP-SFHVURJKSA-N 1 1 359.401 3.231 20 5 FGBDMO COc1cc(CN2CC[N@@H+](C)C[C@H]2c2ccccc2)c([N+](=O)[O-])cc1F ZINC000184272335 496313995 /nfs/dbraw/zinc/31/39/95/496313995.db2.gz ZLZGBCCTRFYHHP-SFHVURJKSA-N 1 1 359.401 3.231 20 5 FGBDMO Cc1[nH+]cc2n1C[C@@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)CC2 ZINC000580781616 505837480 /nfs/dbraw/zinc/83/74/80/505837480.db2.gz WVUHQCKCQQZVSD-INIZCTEOSA-N 1 1 356.426 3.099 20 5 FGBDMO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CCc1ccccn1 ZINC000153061017 496340543 /nfs/dbraw/zinc/34/05/43/496340543.db2.gz HBIJALQIBCTWJN-UHFFFAOYSA-N 1 1 352.394 3.362 20 5 FGBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H](COc3ccccc3Cl)C2)c1 ZINC000157001026 496382333 /nfs/dbraw/zinc/38/23/33/496382333.db2.gz NZYCQMFEORMRLL-CQSZACIVSA-N 1 1 364.833 3.236 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)CC2(O)CCCCCC2)cccc1[N+](=O)[O-] ZINC000187339448 496399718 /nfs/dbraw/zinc/39/97/18/496399718.db2.gz CFBIIQQUBVNQKU-OAHLLOKOSA-N 1 1 363.458 3.247 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@@H+](C)CC2(O)CCCCCC2)cccc1[N+](=O)[O-] ZINC000187339463 496399958 /nfs/dbraw/zinc/39/99/58/496399958.db2.gz CFBIIQQUBVNQKU-HNNXBMFYSA-N 1 1 363.458 3.247 20 5 FGBDMO O=[N+]([O-])c1cccc(C[N@H+](C[C@H](O)COCc2ccccc2F)C2CC2)c1 ZINC000153286508 496409267 /nfs/dbraw/zinc/40/92/67/496409267.db2.gz KOMMJAIJKQKYSN-IBGZPJMESA-N 1 1 374.412 3.276 20 5 FGBDMO Cc1c(-c2cc(C[N@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)on2)cnn1C ZINC000184629256 496470167 /nfs/dbraw/zinc/47/01/67/496470167.db2.gz LQGPSPMSBGOAAX-UHFFFAOYSA-N 1 1 367.409 3.456 20 5 FGBDMO Cc1c(-c2cc(C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)on2)cnn1C ZINC000184629256 496470174 /nfs/dbraw/zinc/47/01/74/496470174.db2.gz LQGPSPMSBGOAAX-UHFFFAOYSA-N 1 1 367.409 3.456 20 5 FGBDMO Cc1csc([C@@H]([NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000181614679 496470138 /nfs/dbraw/zinc/47/01/38/496470138.db2.gz JIKVYPUUHWZHTO-NHYWBVRUSA-N 1 1 360.439 3.428 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@H](O)C3)o2)c(Br)c1 ZINC000157665883 496525130 /nfs/dbraw/zinc/52/51/30/496525130.db2.gz XXECGOKRVIROJM-NSHDSACASA-N 1 1 367.199 3.184 20 5 FGBDMO C[C@H]1CCC[N@@H+](CCNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000163509419 496525492 /nfs/dbraw/zinc/52/54/92/496525492.db2.gz UTRPBBMLAMCVHG-HNNXBMFYSA-N 1 1 360.458 3.001 20 5 FGBDMO Cc1cc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000153667066 496538308 /nfs/dbraw/zinc/53/83/08/496538308.db2.gz RWOLERZCECRBQO-RDTXWAMCSA-N 1 1 358.442 3.384 20 5 FGBDMO COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000187995593 496644363 /nfs/dbraw/zinc/64/43/63/496644363.db2.gz FZWQJBMDTIKVKG-KRWDZBQOSA-N 1 1 374.437 3.302 20 5 FGBDMO C[N@@H+](CCC(=O)c1ccc2c(c1)OCCO2)CCc1cccc([N+](=O)[O-])c1 ZINC000569123576 505858246 /nfs/dbraw/zinc/85/82/46/505858246.db2.gz PHGOLNIZUHVVMX-UHFFFAOYSA-N 1 1 370.405 3.113 20 5 FGBDMO Cc1c(Br)c(NC[C@H]2CC[N@H+](C(C)C)C2)ncc1[N+](=O)[O-] ZINC000165734250 496668030 /nfs/dbraw/zinc/66/80/30/496668030.db2.gz SOAGDLKXYCOMMA-LLVKDONJSA-N 1 1 357.252 3.203 20 5 FGBDMO CSc1cccc(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000188094887 496681518 /nfs/dbraw/zinc/68/15/18/496681518.db2.gz SZKNCFZFMXXXJS-CYBMUJFWSA-N 1 1 351.472 3.167 20 5 FGBDMO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000154094593 496681815 /nfs/dbraw/zinc/68/18/15/496681815.db2.gz SICVURBJMWYOSX-SJCJKPOMSA-N 1 1 363.845 3.337 20 5 FGBDMO Cn1cc(CNCC2(C[NH+](C)C)CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000185293341 496725082 /nfs/dbraw/zinc/72/50/82/496725082.db2.gz KYYUFYUPLIOCBU-UHFFFAOYSA-N 1 1 371.485 3.207 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000247112062 496783407 /nfs/dbraw/zinc/78/34/07/496783407.db2.gz YEXGSKYHHXUCNV-SJORKVTESA-N 1 1 374.485 3.120 20 5 FGBDMO COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000191512716 496792342 /nfs/dbraw/zinc/79/23/42/496792342.db2.gz ATRDIYUCIDQFPK-INIZCTEOSA-N 1 1 362.401 3.432 20 5 FGBDMO CCc1nsc(N2CCC[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000247524655 496880701 /nfs/dbraw/zinc/88/07/01/496880701.db2.gz NSRVZJQEMGLMLW-CYBMUJFWSA-N 1 1 361.471 3.282 20 5 FGBDMO CCc1nsc(N2CCC[N@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000247524655 496880703 /nfs/dbraw/zinc/88/07/03/496880703.db2.gz NSRVZJQEMGLMLW-CYBMUJFWSA-N 1 1 361.471 3.282 20 5 FGBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000195335475 496894298 /nfs/dbraw/zinc/89/42/98/496894298.db2.gz UAXVURVFYIVPPA-AWEZNQCLSA-N 1 1 351.838 3.488 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000580945177 505874268 /nfs/dbraw/zinc/87/42/68/505874268.db2.gz DQXKBAGCRHHZDB-OAHLLOKOSA-N 1 1 370.327 3.445 20 5 FGBDMO CC(C)[C@H](CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[NH+]1CCOCC1 ZINC000218467789 497002607 /nfs/dbraw/zinc/00/26/07/497002607.db2.gz OLOLMJGJDCMJGG-HNNXBMFYSA-N 1 1 361.364 3.382 20 5 FGBDMO C[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@@H](c2ccccc2)C1 ZINC000578177634 505879147 /nfs/dbraw/zinc/87/91/47/505879147.db2.gz ZTXCJDWNFNJCSV-QGZVFWFLSA-N 1 1 358.373 3.255 20 5 FGBDMO C[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@@H](c2ccccc2)C1 ZINC000578177634 505879149 /nfs/dbraw/zinc/87/91/49/505879149.db2.gz ZTXCJDWNFNJCSV-QGZVFWFLSA-N 1 1 358.373 3.255 20 5 FGBDMO Cc1cc(N2CCC(c3[nH]cc[nH+]3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000264945208 497016517 /nfs/dbraw/zinc/01/65/17/497016517.db2.gz TVRSRVYTOPDUQM-UHFFFAOYSA-N 1 1 364.409 3.467 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC000192244504 497045872 /nfs/dbraw/zinc/04/58/72/497045872.db2.gz FAUAWOSHAXBBFU-MRXNPFEDSA-N 1 1 362.813 3.046 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000192244504 497045876 /nfs/dbraw/zinc/04/58/76/497045876.db2.gz FAUAWOSHAXBBFU-MRXNPFEDSA-N 1 1 362.813 3.046 20 5 FGBDMO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@H+](C3CC3)C2)nc1-c1ccc(F)cc1 ZINC000572069054 505881171 /nfs/dbraw/zinc/88/11/71/505881171.db2.gz OXZAMGFCWOXEJG-CYBMUJFWSA-N 1 1 356.401 3.114 20 5 FGBDMO Cc1cc(CNc2c3c(ccc2[N+](=O)[O-])NCC3)cc(N2CCCC2)[nH+]1 ZINC000578183958 505881405 /nfs/dbraw/zinc/88/14/05/505881405.db2.gz SJNWQZXLJQRNSK-UHFFFAOYSA-N 1 1 353.426 3.479 20 5 FGBDMO C[C@@H](c1cccnc1)[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000265165430 497062225 /nfs/dbraw/zinc/06/22/25/497062225.db2.gz XFKXODPIOQIUPZ-HNNXBMFYSA-N 1 1 363.421 3.421 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1CNC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192356376 497086513 /nfs/dbraw/zinc/08/65/13/497086513.db2.gz FJHMKYVYMAMXTB-OAQYLSRUSA-N 1 1 369.465 3.284 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000192356376 497086520 /nfs/dbraw/zinc/08/65/20/497086520.db2.gz FJHMKYVYMAMXTB-OAQYLSRUSA-N 1 1 369.465 3.284 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000248776447 497102842 /nfs/dbraw/zinc/10/28/42/497102842.db2.gz HPNNPBBCLXFYRR-BEFAXECRSA-N 1 1 353.422 3.154 20 5 FGBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000192556232 497148025 /nfs/dbraw/zinc/14/80/25/497148025.db2.gz XDCKXXXFHONCOC-UHFFFAOYSA-N 1 1 371.485 3.265 20 5 FGBDMO CSc1cccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c1[N+](=O)[O-] ZINC000249136424 497172927 /nfs/dbraw/zinc/17/29/27/497172927.db2.gz OBDYYCMUJUEWMP-KGLIPLIRSA-N 1 1 363.483 3.404 20 5 FGBDMO Cc1cc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000189765214 497237216 /nfs/dbraw/zinc/23/72/16/497237216.db2.gz GXJPLEWNLCGMRI-SJLPKXTDSA-N 1 1 354.410 3.470 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3nnc4n3CCC4)s2)cc1 ZINC000238003103 497326451 /nfs/dbraw/zinc/32/64/51/497326451.db2.gz IQCINANXRGEORN-UHFFFAOYSA-N 1 1 355.423 3.151 20 5 FGBDMO COc1ccc(OC)c(C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO)c1 ZINC000255494700 497367464 /nfs/dbraw/zinc/36/74/64/497367464.db2.gz VOUUJGWTXPUZGD-ALCCZGGFSA-N 1 1 372.421 3.120 20 5 FGBDMO COc1ccc(OC)c(C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO)c1 ZINC000255494700 497367468 /nfs/dbraw/zinc/36/74/68/497367468.db2.gz VOUUJGWTXPUZGD-ALCCZGGFSA-N 1 1 372.421 3.120 20 5 FGBDMO CSc1ccc(C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000255958502 497381622 /nfs/dbraw/zinc/38/16/22/497381622.db2.gz ZIOBOEFCZFCKMB-QWHCGFSZSA-N 1 1 351.472 3.167 20 5 FGBDMO Cc1cc(C2CC[NH+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)CC2)n[nH]1 ZINC000271656928 497410713 /nfs/dbraw/zinc/41/07/13/497410713.db2.gz WMTOWGPZWMQRTB-UHFFFAOYSA-N 1 1 368.397 3.056 20 5 FGBDMO Cc1cc(C2CC[NH+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)CC2)[nH]n1 ZINC000271656928 497410720 /nfs/dbraw/zinc/41/07/20/497410720.db2.gz WMTOWGPZWMQRTB-UHFFFAOYSA-N 1 1 368.397 3.056 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000245498664 497430914 /nfs/dbraw/zinc/43/09/14/497430914.db2.gz WQSCQZVWVPCMHS-XHDPSFHLSA-N 1 1 354.838 3.442 20 5 FGBDMO CC[N@H+](Cc1c[nH]c2ccccc12)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000190450314 497483559 /nfs/dbraw/zinc/48/35/59/497483559.db2.gz KUCLGFHVASAJRE-QGZVFWFLSA-N 1 1 369.421 3.338 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000267381298 497539067 /nfs/dbraw/zinc/53/90/67/497539067.db2.gz GYBVAPRDPMIZEZ-OXQOHEQNSA-N 1 1 367.449 3.164 20 5 FGBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+](C)CCCCO)c([N+](=O)[O-])c1 ZINC000276372253 497556263 /nfs/dbraw/zinc/55/62/63/497556263.db2.gz KAJFRLKXOHTIGO-IBGZPJMESA-N 1 1 371.437 3.287 20 5 FGBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CCCCO)c([N+](=O)[O-])c1 ZINC000276372253 497556270 /nfs/dbraw/zinc/55/62/70/497556270.db2.gz KAJFRLKXOHTIGO-IBGZPJMESA-N 1 1 371.437 3.287 20 5 FGBDMO CC(C)[C@@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC[N@@H+]1C ZINC000581124273 505915258 /nfs/dbraw/zinc/91/52/58/505915258.db2.gz UGSAJCHOYVENDX-FQEVSTJZSA-N 1 1 363.461 3.094 20 5 FGBDMO CC(C)[C@@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC[N@H+]1C ZINC000581124273 505915262 /nfs/dbraw/zinc/91/52/62/505915262.db2.gz UGSAJCHOYVENDX-FQEVSTJZSA-N 1 1 363.461 3.094 20 5 FGBDMO C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272370324 497610060 /nfs/dbraw/zinc/61/00/60/497610060.db2.gz UEHDWALGKHECMN-LPHOPBHVSA-N 1 1 367.449 3.164 20 5 FGBDMO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000279987046 497610276 /nfs/dbraw/zinc/61/02/76/497610276.db2.gz FBBMEVRRFHBWAN-LLVKDONJSA-N 1 1 354.453 3.301 20 5 FGBDMO Cc1noc(C)c1[C@H](C)C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272585573 497670732 /nfs/dbraw/zinc/67/07/32/497670732.db2.gz YXJCSBQOWRQDKY-KZULUSFZSA-N 1 1 369.425 3.416 20 5 FGBDMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000194626209 497723272 /nfs/dbraw/zinc/72/32/72/497723272.db2.gz XOZVUEHHXNZFIF-OAHLLOKOSA-N 1 1 365.336 3.033 20 5 FGBDMO CO[C@]1(C)CCC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000280345041 497726375 /nfs/dbraw/zinc/72/63/75/497726375.db2.gz SJJMBNUKXSFKRT-LJQANCHMSA-N 1 1 358.442 3.386 20 5 FGBDMO CCOCCC[N@H+]1CC[C@H](Nc2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000246563144 497775541 /nfs/dbraw/zinc/77/55/41/497775541.db2.gz KXZWUDDLJVKFDY-LRDDRELGSA-N 1 1 357.401 3.422 20 5 FGBDMO Cc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](C(C)C)CC3)cc1[N+](=O)[O-] ZINC000273078692 497795926 /nfs/dbraw/zinc/79/59/26/497795926.db2.gz XFAZTGAYNIHYFY-UHFFFAOYSA-N 1 1 360.439 3.379 20 5 FGBDMO Cc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)C)CC3)cc1[N+](=O)[O-] ZINC000273078692 497795927 /nfs/dbraw/zinc/79/59/27/497795927.db2.gz XFAZTGAYNIHYFY-UHFFFAOYSA-N 1 1 360.439 3.379 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000334009738 497846280 /nfs/dbraw/zinc/84/62/80/497846280.db2.gz NQJWJFIJTQBHTQ-STQMWFEESA-N 1 1 351.472 3.308 20 5 FGBDMO Cc1ccnc([C@H]2CC[N@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)c1 ZINC000569471351 505943523 /nfs/dbraw/zinc/94/35/23/505943523.db2.gz SNXITSMANOJCPE-HNNXBMFYSA-N 1 1 354.410 3.035 20 5 FGBDMO Cc1ccnc([C@H]2CC[N@@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)c1 ZINC000569471351 505943528 /nfs/dbraw/zinc/94/35/28/505943528.db2.gz SNXITSMANOJCPE-HNNXBMFYSA-N 1 1 354.410 3.035 20 5 FGBDMO Cc1ccc([C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)[C@H](C)S(C)(=O)=O)cc1 ZINC000280875768 497932424 /nfs/dbraw/zinc/93/24/24/497932424.db2.gz OSHOQOSZJKNBPO-KSSFIOAISA-N 1 1 362.451 3.167 20 5 FGBDMO CC(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1C(F)(F)F)N1CC[NH+](C)CC1 ZINC000301104308 497952948 /nfs/dbraw/zinc/95/29/48/497952948.db2.gz SRSISAGJIBYVOK-MRXNPFEDSA-N 1 1 374.407 3.298 20 5 FGBDMO C[C@@H]([NH2+]Cc1ccncc1OCC(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285023730 497972709 /nfs/dbraw/zinc/97/27/09/497972709.db2.gz HMOXTVKYMSGXSR-SNVBAGLBSA-N 1 1 370.331 3.364 20 5 FGBDMO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285188514 498016804 /nfs/dbraw/zinc/01/68/04/498016804.db2.gz CFBSWNCPQQLEFZ-ZDUSSCGKSA-N 1 1 352.394 3.479 20 5 FGBDMO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285188514 498016809 /nfs/dbraw/zinc/01/68/09/498016809.db2.gz CFBSWNCPQQLEFZ-ZDUSSCGKSA-N 1 1 352.394 3.479 20 5 FGBDMO CCc1cc(N(C)[C@H]2CCC[N@@H+](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301364910 498075696 /nfs/dbraw/zinc/07/56/96/498075696.db2.gz RXLGSUTZFJPDMA-KRWDZBQOSA-N 1 1 355.442 3.145 20 5 FGBDMO CC(C)NC(=O)c1ccc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301418447 498101165 /nfs/dbraw/zinc/10/11/65/498101165.db2.gz BXHRAKNQVALGRC-KRWDZBQOSA-N 1 1 374.485 3.409 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@H](O)C23CCCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000292690698 498111220 /nfs/dbraw/zinc/11/12/20/498111220.db2.gz KGVSXYIELCWTGB-OAHLLOKOSA-N 1 1 372.368 3.084 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000289512922 498174749 /nfs/dbraw/zinc/17/47/49/498174749.db2.gz KXDWWWLHDNETHC-PKOBYXMFSA-N 1 1 373.453 3.265 20 5 FGBDMO CC[C@H](Nc1cc(C)c([N+](=O)[O-])cn1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000301644745 498203997 /nfs/dbraw/zinc/20/39/97/498203997.db2.gz HMWAFNWSMONUIO-HKUYNNGSSA-N 1 1 370.453 3.390 20 5 FGBDMO CC[C@H](Nc1cc(C)c([N+](=O)[O-])cn1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000301644745 498204002 /nfs/dbraw/zinc/20/40/02/498204002.db2.gz HMWAFNWSMONUIO-HKUYNNGSSA-N 1 1 370.453 3.390 20 5 FGBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000301682811 498222330 /nfs/dbraw/zinc/22/23/30/498222330.db2.gz KJBWHNALDFDDJU-QWRGUYRKSA-N 1 1 357.252 3.285 20 5 FGBDMO C[N@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3Br)CC[C@@H]21 ZINC000301730501 498242325 /nfs/dbraw/zinc/24/23/25/498242325.db2.gz XECALJUEAXIOLJ-RISCZKNCSA-N 1 1 354.248 3.278 20 5 FGBDMO CCOc1ccc(C(C)=O)cc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365119315 498305238 /nfs/dbraw/zinc/30/52/38/498305238.db2.gz BYPPMDRQQWKWJY-UHFFFAOYSA-N 1 1 372.425 3.230 20 5 FGBDMO CC(C)N1CC[NH+](C2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)CC1 ZINC000293212132 498308317 /nfs/dbraw/zinc/30/83/17/498308317.db2.gz VCQWWGAELJWUBB-UHFFFAOYSA-N 1 1 366.893 3.243 20 5 FGBDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1ccccc1[N+](=O)[O-] ZINC000361597740 498410073 /nfs/dbraw/zinc/41/00/73/498410073.db2.gz SJJKJQLDPOYMST-SJLPKXTDSA-N 1 1 351.406 3.351 20 5 FGBDMO C[C@](CO)([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000286606581 498451662 /nfs/dbraw/zinc/45/16/62/498451662.db2.gz RKMVFEIBDJXHRU-MRXNPFEDSA-N 1 1 365.227 3.355 20 5 FGBDMO O=[N+]([O-])c1ccc(NCCc2cn3c([nH+]2)CCCC3)c(OC(F)F)c1 ZINC000302640140 498522444 /nfs/dbraw/zinc/52/24/44/498522444.db2.gz HYISIXZYVBHVST-UHFFFAOYSA-N 1 1 352.341 3.384 20 5 FGBDMO Cc1cc([NH+]2CCCC2)ccc1NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000581721973 506053263 /nfs/dbraw/zinc/05/32/63/506053263.db2.gz ZQCMFDQHGHQCNA-SFHVURJKSA-N 1 1 371.437 3.355 20 5 FGBDMO C[C@H]1C[N@H+](Cc2cccc(CNc3ccc(N)cc3[N+](=O)[O-])c2)CCO1 ZINC000290508509 498578184 /nfs/dbraw/zinc/57/81/84/498578184.db2.gz DZIUYNODLSJQLA-AWEZNQCLSA-N 1 1 356.426 3.010 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2cccc(CNc3ccc(N)cc3[N+](=O)[O-])c2)CCO1 ZINC000290508509 498578188 /nfs/dbraw/zinc/57/81/88/498578188.db2.gz DZIUYNODLSJQLA-AWEZNQCLSA-N 1 1 356.426 3.010 20 5 FGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000363123148 498662372 /nfs/dbraw/zinc/66/23/72/498662372.db2.gz YOYFFXLOYYABFP-XJKSGUPXSA-N 1 1 368.397 3.239 20 5 FGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000363123148 498662377 /nfs/dbraw/zinc/66/23/77/498662377.db2.gz YOYFFXLOYYABFP-XJKSGUPXSA-N 1 1 368.397 3.239 20 5 FGBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000363156388 498678947 /nfs/dbraw/zinc/67/89/47/498678947.db2.gz KHKHHSPCEDSRPO-DZGCQCFKSA-N 1 1 372.450 3.075 20 5 FGBDMO C[C@@]12CC[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C[C@@H]1C2(F)F ZINC000298303638 498727290 /nfs/dbraw/zinc/72/72/90/498727290.db2.gz PUJOKCQHFMSKOJ-DZGCQCFKSA-N 1 1 357.332 3.040 20 5 FGBDMO O=C([C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000581952920 506099055 /nfs/dbraw/zinc/09/90/55/506099055.db2.gz ZCCIVEDOJNHJRJ-INIZCTEOSA-N 1 1 351.406 3.006 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3nnc[nH]3)C2)c(C(F)(F)F)c1 ZINC000363510646 498853660 /nfs/dbraw/zinc/85/36/60/498853660.db2.gz PMAYYVJTRPMBOV-LLVKDONJSA-N 1 1 355.320 3.111 20 5 FGBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc(C(F)(F)F)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000294984338 498870799 /nfs/dbraw/zinc/87/07/99/498870799.db2.gz OTDZQRLTROWOQD-RISCZKNCSA-N 1 1 371.359 3.170 20 5 FGBDMO COc1ccc([C@@H](CN(C)C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000284169825 499062596 /nfs/dbraw/zinc/06/25/96/499062596.db2.gz WXLBNFWQTOTZFO-QGZVFWFLSA-N 1 1 359.426 3.005 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000364005185 499081672 /nfs/dbraw/zinc/08/16/72/499081672.db2.gz VBAGVGSDLYOFEV-FQEVSTJZSA-N 1 1 367.405 3.089 20 5 FGBDMO Cc1cc([C@@H]2CCC[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)[nH]n1 ZINC000364015533 499086701 /nfs/dbraw/zinc/08/67/01/499086701.db2.gz VRUIHFPJTWFHJL-OAHLLOKOSA-N 1 1 371.441 3.143 20 5 FGBDMO Cc1cc([C@@H]2CCC[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)n[nH]1 ZINC000364015533 499086707 /nfs/dbraw/zinc/08/67/07/499086707.db2.gz VRUIHFPJTWFHJL-OAHLLOKOSA-N 1 1 371.441 3.143 20 5 FGBDMO Cc1cc([C@@H]2CCC[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)n[nH]1 ZINC000364015533 499086711 /nfs/dbraw/zinc/08/67/11/499086711.db2.gz VRUIHFPJTWFHJL-OAHLLOKOSA-N 1 1 371.441 3.143 20 5 FGBDMO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[N@H+](C2CCC2)C1 ZINC000291928429 499105073 /nfs/dbraw/zinc/10/50/73/499105073.db2.gz SLFLTBJMRFFTBV-LBPRGKRZSA-N 1 1 350.394 3.072 20 5 FGBDMO CC(C)(CCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[N+](=O)[O-] ZINC000295816258 499106835 /nfs/dbraw/zinc/10/68/35/499106835.db2.gz BZJKSLZTDLWPOQ-KRWDZBQOSA-N 1 1 361.486 3.239 20 5 FGBDMO COCC[C@H]1CCCC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000364158023 499125408 /nfs/dbraw/zinc/12/54/08/499125408.db2.gz HPPJKKAQJBQQFL-CQSZACIVSA-N 1 1 360.414 3.283 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](OCc2csc(C)n2)C1 ZINC000367304604 499177133 /nfs/dbraw/zinc/17/71/33/499177133.db2.gz FEVZASUQEJAAAU-INIZCTEOSA-N 1 1 363.439 3.159 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](OCc2csc(C)n2)C1 ZINC000367304604 499177134 /nfs/dbraw/zinc/17/71/34/499177134.db2.gz FEVZASUQEJAAAU-INIZCTEOSA-N 1 1 363.439 3.159 20 5 FGBDMO O=C(NC[C@@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1)c1ccco1 ZINC000367348302 499185932 /nfs/dbraw/zinc/18/59/32/499185932.db2.gz HHCHXJJKJQRWDM-YCOJEUHLSA-N 1 1 369.421 3.343 20 5 FGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC=C(c3ccnc4[nH]ccc43)CC2)c1 ZINC000367783515 499233237 /nfs/dbraw/zinc/23/32/37/499233237.db2.gz MCBMMSPPRZQZBH-LJQANCHMSA-N 1 1 364.405 3.294 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000370869141 499264476 /nfs/dbraw/zinc/26/44/76/499264476.db2.gz ILUMFEXZBKWZRB-OAHLLOKOSA-N 1 1 372.425 3.401 20 5 FGBDMO CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000370876722 499265860 /nfs/dbraw/zinc/26/58/60/499265860.db2.gz OGUZRJQQCIDJQO-MRXNPFEDSA-N 1 1 372.425 3.157 20 5 FGBDMO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000371075689 499286464 /nfs/dbraw/zinc/28/64/64/499286464.db2.gz RDKIHSHYNHFDCU-WBVHZDCISA-N 1 1 361.348 3.048 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000371075689 499286466 /nfs/dbraw/zinc/28/64/66/499286466.db2.gz RDKIHSHYNHFDCU-WBVHZDCISA-N 1 1 361.348 3.048 20 5 FGBDMO C[N@H+]1CC[C@@H](CNc2ncnc3sc([N+](=O)[O-])cc32)[C@@H]1c1cccnc1 ZINC000368552103 499306540 /nfs/dbraw/zinc/30/65/40/499306540.db2.gz VVLPYAQLEPGJOU-WFASDCNBSA-N 1 1 370.438 3.099 20 5 FGBDMO Cc1c([C@@H]2CCC[N@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cnn1C ZINC000371379889 499317539 /nfs/dbraw/zinc/31/75/39/499317539.db2.gz RSCZGPSURXCTAJ-SFHVURJKSA-N 1 1 371.441 3.111 20 5 FGBDMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000371660144 499352035 /nfs/dbraw/zinc/35/20/35/499352035.db2.gz MRJNVULDQWWJFM-JKSUJKDBSA-N 1 1 351.834 3.224 20 5 FGBDMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000371660144 499352037 /nfs/dbraw/zinc/35/20/37/499352037.db2.gz MRJNVULDQWWJFM-JKSUJKDBSA-N 1 1 351.834 3.224 20 5 FGBDMO COC[C@H]1CCCC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000372088637 499397995 /nfs/dbraw/zinc/39/79/95/499397995.db2.gz OALLJRFTNLRKOL-OLZOCXBDSA-N 1 1 369.849 3.324 20 5 FGBDMO COC[C@H]1CCCC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000372088637 499397997 /nfs/dbraw/zinc/39/79/97/499397997.db2.gz OALLJRFTNLRKOL-OLZOCXBDSA-N 1 1 369.849 3.324 20 5 FGBDMO Cc1nc2c(s1)CCC[C@H]2C[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000369540732 499414606 /nfs/dbraw/zinc/41/46/06/499414606.db2.gz KKEOIMKEKJRMMO-HOCLYGCPSA-N 1 1 361.467 3.445 20 5 FGBDMO Cc1cc(C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000369567207 499419376 /nfs/dbraw/zinc/41/93/76/499419376.db2.gz HDRRASDBVUGTKE-RHSMWYFYSA-N 1 1 359.451 3.388 20 5 FGBDMO COCCn1cc2c(n1)[C@@H]([NH2+][C@H]1CCCc3ccc([N+](=O)[O-])cc31)CCC2 ZINC000373209825 499457537 /nfs/dbraw/zinc/45/75/37/499457537.db2.gz XLWMSMLTDVXMMR-OALUTQOASA-N 1 1 370.453 3.482 20 5 FGBDMO O=C(CC[N@H+]1CC[C@H](Cc2ccncc2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000373420614 499468742 /nfs/dbraw/zinc/46/87/42/499468742.db2.gz DICLGHBUBHTWMJ-OAHLLOKOSA-N 1 1 372.400 3.022 20 5 FGBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000576395446 506148294 /nfs/dbraw/zinc/14/82/94/506148294.db2.gz WCSOPJWWGMAEOS-LLVKDONJSA-N 1 1 361.364 3.464 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375277938 499502466 /nfs/dbraw/zinc/50/24/66/499502466.db2.gz KDQWKRDXBOKNBG-FZKQIMNGSA-N 1 1 358.398 3.208 20 5 FGBDMO CCC(=O)c1ccc(NC2CCN(c3[nH+]ccn3C)CC2)c([N+](=O)[O-])c1 ZINC000375630898 499539494 /nfs/dbraw/zinc/53/94/94/499539494.db2.gz VNMHCOOISPITFA-UHFFFAOYSA-N 1 1 357.414 3.002 20 5 FGBDMO CNc1ccc(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000379694508 499542531 /nfs/dbraw/zinc/54/25/31/499542531.db2.gz TTWVJVMOCZPFGQ-HNNXBMFYSA-N 1 1 370.453 3.277 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000376294438 499598214 /nfs/dbraw/zinc/59/82/14/499598214.db2.gz BEMNNGOARYYHSA-OAHLLOKOSA-N 1 1 359.357 3.306 20 5 FGBDMO O=[N+]([O-])c1c(N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)nc2sccn21 ZINC000409640660 499611125 /nfs/dbraw/zinc/61/11/25/499611125.db2.gz WKBFBFMGOSKVLO-LBPRGKRZSA-N 1 1 372.454 3.221 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000411168744 499706206 /nfs/dbraw/zinc/70/62/06/499706206.db2.gz BEUHCUHLJKORFV-OAHLLOKOSA-N 1 1 374.397 3.066 20 5 FGBDMO C[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)CO1 ZINC000411296746 499722907 /nfs/dbraw/zinc/72/29/07/499722907.db2.gz KZFLDUSGZGXKHX-KXBFYZLASA-N 1 1 369.421 3.385 20 5 FGBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)CO1 ZINC000411296746 499722908 /nfs/dbraw/zinc/72/29/08/499722908.db2.gz KZFLDUSGZGXKHX-KXBFYZLASA-N 1 1 369.421 3.385 20 5 FGBDMO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000411532680 499752088 /nfs/dbraw/zinc/75/20/88/499752088.db2.gz ZMIRQKYDGNUNHF-KDOFPFPSSA-N 1 1 354.410 3.402 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]CC(C)(C)OCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000414276793 499773494 /nfs/dbraw/zinc/77/34/94/499773494.db2.gz WDBOVZCEBXTMIP-QGZVFWFLSA-N 1 1 358.442 3.213 20 5 FGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000411688407 499777877 /nfs/dbraw/zinc/77/78/77/499777877.db2.gz CHFNEMUXAJUPCZ-SFHVURJKSA-N 1 1 357.385 3.014 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000411767670 499788383 /nfs/dbraw/zinc/78/83/83/499788383.db2.gz BNMHIWFCOMTCSC-HOCLYGCPSA-N 1 1 361.442 3.443 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CCn1c[nH+]c2c1C[C@H](C)[C@H](C)C2 ZINC000411781955 499789913 /nfs/dbraw/zinc/78/99/13/499789913.db2.gz GSGJRJUAKVPFBE-OLZOCXBDSA-N 1 1 372.425 3.200 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CCn1c[nH+]c2c1C[C@H](C)[C@@H](C)C2 ZINC000411781959 499789934 /nfs/dbraw/zinc/78/99/34/499789934.db2.gz GSGJRJUAKVPFBE-STQMWFEESA-N 1 1 372.425 3.200 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411918865 499803433 /nfs/dbraw/zinc/80/34/33/499803433.db2.gz ALXXUKQLVYOCEZ-HKUYNNGSSA-N 1 1 369.421 3.040 20 5 FGBDMO CC(C)[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[C@H]1CCC(=O)N1 ZINC000414551559 499807213 /nfs/dbraw/zinc/80/72/13/499807213.db2.gz BQMOYFJTSJELJX-CQSZACIVSA-N 1 1 357.410 3.344 20 5 FGBDMO COC(=O)[C@]1(C)CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000412067778 499819801 /nfs/dbraw/zinc/81/98/01/499819801.db2.gz MELWVWSUACQPMU-OAHLLOKOSA-N 1 1 360.332 3.389 20 5 FGBDMO COC(=O)[C@]1(C)CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000412067778 499819803 /nfs/dbraw/zinc/81/98/03/499819803.db2.gz MELWVWSUACQPMU-OAHLLOKOSA-N 1 1 360.332 3.389 20 5 FGBDMO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000412200144 499833131 /nfs/dbraw/zinc/83/31/31/499833131.db2.gz HZBMZTVOHLOFBE-XWPNQZOQSA-N 1 1 369.465 3.174 20 5 FGBDMO COc1ccc(C[NH2+][C@@H](CN)C2CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414807114 499833177 /nfs/dbraw/zinc/83/31/77/499833177.db2.gz QUCBVXALCQPOSG-SFHVURJKSA-N 1 1 371.437 3.009 20 5 FGBDMO C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000412242533 499837408 /nfs/dbraw/zinc/83/74/08/499837408.db2.gz JXRFTMGJJZBWMO-JKTDJZPLSA-N 1 1 371.481 3.468 20 5 FGBDMO O=[N+]([O-])c1cnc(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c(F)c1 ZINC000413310445 499940226 /nfs/dbraw/zinc/94/02/26/499940226.db2.gz NHIFZPOKVAOCEE-HOTGVXAUSA-N 1 1 356.401 3.087 20 5 FGBDMO CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000573307376 506167768 /nfs/dbraw/zinc/16/77/68/506167768.db2.gz MNXHVRPVGCCMTR-YOEHRIQHSA-N 1 1 356.426 3.148 20 5 FGBDMO Cc1c(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000425011599 499992968 /nfs/dbraw/zinc/99/29/68/499992968.db2.gz XWEVPAJYUKJYKD-FXAWDEMLSA-N 1 1 365.433 3.250 20 5 FGBDMO Cc1ccccc1CN(C)C(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429236361 500029653 /nfs/dbraw/zinc/02/96/53/500029653.db2.gz IGDZGNILTISMNS-UHFFFAOYSA-N 1 1 355.438 3.387 20 5 FGBDMO CC(C)([NH2+]CC(=O)N[C@H]1CCOc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000429260417 500036123 /nfs/dbraw/zinc/03/61/23/500036123.db2.gz WMYYSHOOTLJZKY-INIZCTEOSA-N 1 1 369.421 3.060 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1cc(C)ccc1C ZINC000429295126 500045307 /nfs/dbraw/zinc/04/53/07/500045307.db2.gz ALZHHFPOAXSOQD-UHFFFAOYSA-N 1 1 357.410 3.291 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1cc(C)ccc1C ZINC000429295126 500045311 /nfs/dbraw/zinc/04/53/11/500045311.db2.gz ALZHHFPOAXSOQD-UHFFFAOYSA-N 1 1 357.410 3.291 20 5 FGBDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430227307 500212092 /nfs/dbraw/zinc/21/20/92/500212092.db2.gz QVDSCVJCABKBAX-HOCLYGCPSA-N 1 1 363.458 3.120 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000430237862 500213265 /nfs/dbraw/zinc/21/32/65/500213265.db2.gz JRNYHMOOSOLFPA-HXUWFJFHSA-N 1 1 356.422 3.173 20 5 FGBDMO Cc1c(C[N@@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000430298171 500223765 /nfs/dbraw/zinc/22/37/65/500223765.db2.gz JSUBQMKEPXKRNC-KRWDZBQOSA-N 1 1 353.422 3.388 20 5 FGBDMO COc1ccc([C@@H]2CC[NH2+]C[C@H]2N[C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000423322262 500364231 /nfs/dbraw/zinc/36/42/31/500364231.db2.gz GIOUIWCLYLKQCS-RYGJVYDSSA-N 1 1 369.465 3.270 20 5 FGBDMO Cc1cc(NCCNc2cccc(C)[nH+]2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000427369462 500386488 /nfs/dbraw/zinc/38/64/88/500386488.db2.gz GTGJTABSPHKZGX-UHFFFAOYSA-N 1 1 364.409 3.010 20 5 FGBDMO CC[N@H+]1CCCC[C@H]1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000427593235 500409541 /nfs/dbraw/zinc/40/95/41/500409541.db2.gz JGCNMNLCOQDLTO-AWEZNQCLSA-N 1 1 359.348 3.104 20 5 FGBDMO C[C@@H]1OCC[C@@]1(O)C[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000570551680 506193964 /nfs/dbraw/zinc/19/39/64/506193964.db2.gz LZPNWVULRAKKCN-MGPUTAFESA-N 1 1 374.412 3.276 20 5 FGBDMO C[C@@H]1OCC[C@@]1(O)C[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000570551680 506193966 /nfs/dbraw/zinc/19/39/66/506193966.db2.gz LZPNWVULRAKKCN-MGPUTAFESA-N 1 1 374.412 3.276 20 5 FGBDMO O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000427962002 500451427 /nfs/dbraw/zinc/45/14/27/500451427.db2.gz DORUZFUHBRSGAT-SFHVURJKSA-N 1 1 373.453 3.113 20 5 FGBDMO Cc1cccc(C[N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1C ZINC000428746538 500552385 /nfs/dbraw/zinc/55/23/85/500552385.db2.gz HZSRKCLCSMXNKC-UHFFFAOYSA-N 1 1 353.422 3.233 20 5 FGBDMO Cc1cccc(C[N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1C ZINC000428746538 500552387 /nfs/dbraw/zinc/55/23/87/500552387.db2.gz HZSRKCLCSMXNKC-UHFFFAOYSA-N 1 1 353.422 3.233 20 5 FGBDMO O=C(NCC[NH+]1CCC2(CCCCC2)CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000442981857 500658447 /nfs/dbraw/zinc/65/84/47/500658447.db2.gz WBVZRWVNQZDIMT-UHFFFAOYSA-N 1 1 361.442 3.077 20 5 FGBDMO O=C1[C@H]([N@@H+]2CC[C@@H]2Cc2ccccc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000437833322 500702705 /nfs/dbraw/zinc/70/27/05/500702705.db2.gz KOVIZEMYUIJKEN-IEBWSBKVSA-N 1 1 351.406 3.017 20 5 FGBDMO O=C1[C@H]([N@H+]2CC[C@@H]2Cc2ccccc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000437833322 500702708 /nfs/dbraw/zinc/70/27/08/500702708.db2.gz KOVIZEMYUIJKEN-IEBWSBKVSA-N 1 1 351.406 3.017 20 5 FGBDMO C[C@@H]1C[C@@H](NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC[N@H+]1C ZINC000444077133 500799647 /nfs/dbraw/zinc/79/96/47/500799647.db2.gz SIKDUCSAPYWJAC-OLZOCXBDSA-N 1 1 367.424 3.033 20 5 FGBDMO Cc1noc(CNc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000596030217 506221062 /nfs/dbraw/zinc/22/10/62/506221062.db2.gz OUTSXNHLNRRCKI-STQMWFEESA-N 1 1 360.414 3.113 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCSC(C)(C)CC1 ZINC000434666720 500875992 /nfs/dbraw/zinc/87/59/92/500875992.db2.gz UNIKDNZURDNKGZ-UHFFFAOYSA-N 1 1 367.471 3.150 20 5 FGBDMO COc1ccc(OCC[N@@H+](C)Cc2cc(F)cc(F)c2)c([N+](=O)[O-])c1 ZINC000444711605 500884862 /nfs/dbraw/zinc/88/48/62/500884862.db2.gz WZJJGGUUEOCKJX-UHFFFAOYSA-N 1 1 352.337 3.392 20 5 FGBDMO C[N@@H+](CCN1CCOC(C)(C)C1)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000435052290 500928148 /nfs/dbraw/zinc/92/81/48/500928148.db2.gz HCEQQNDCXLRXAP-UHFFFAOYSA-N 1 1 373.453 3.397 20 5 FGBDMO COc1cccc(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000435499291 500985947 /nfs/dbraw/zinc/98/59/47/500985947.db2.gz FFFDTKPVPGKLOO-GDBMZVCRSA-N 1 1 369.421 3.169 20 5 FGBDMO COc1cc(C[NH+]2CCC(CF)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000449464706 501009263 /nfs/dbraw/zinc/00/92/63/501009263.db2.gz YUGSKXBMYLHBAB-UHFFFAOYSA-N 1 1 362.348 3.429 20 5 FGBDMO CNC(=O)c1ccc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000449497678 501018709 /nfs/dbraw/zinc/01/87/09/501018709.db2.gz JBPBSNOIVLPTLJ-GOSISDBHSA-N 1 1 353.422 3.334 20 5 FGBDMO CO[C@H]1C[C@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000449630400 501046785 /nfs/dbraw/zinc/04/67/85/501046785.db2.gz HUENVUNUSJYUSU-ROUUACIJSA-N 1 1 370.453 3.385 20 5 FGBDMO C[C@H]1OCC[C@H]1[N@@H+](CCO)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000449681436 501061028 /nfs/dbraw/zinc/06/10/28/501061028.db2.gz VVMOWHYDMAOHKX-CZUORRHYSA-N 1 1 362.451 3.295 20 5 FGBDMO Cc1nc(N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000450386849 501107968 /nfs/dbraw/zinc/10/79/68/501107968.db2.gz GKSWAWGCIJMEOZ-QZTJIDSGSA-N 1 1 367.453 3.184 20 5 FGBDMO Cc1nc(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)ncc1[N+](=O)[O-] ZINC000450402186 501112928 /nfs/dbraw/zinc/11/29/28/501112928.db2.gz IPAAZHOMFRHXCE-UKRRQHHQSA-N 1 1 365.796 3.343 20 5 FGBDMO Cc1nc(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)ncc1[N+](=O)[O-] ZINC000450402186 501112931 /nfs/dbraw/zinc/11/29/31/501112931.db2.gz IPAAZHOMFRHXCE-UKRRQHHQSA-N 1 1 365.796 3.343 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000441283457 501114068 /nfs/dbraw/zinc/11/40/68/501114068.db2.gz YRWCPWAEQTVDIY-VNQPRFMTSA-N 1 1 372.425 3.454 20 5 FGBDMO Cn1cc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(-c2ccccc2)n1 ZINC000446838985 501171688 /nfs/dbraw/zinc/17/16/88/501171688.db2.gz OBLLHKROWXQDLF-UHFFFAOYSA-N 1 1 362.393 3.161 20 5 FGBDMO CC1(C)Cc2cccc(C[NH2+]Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)c2O1 ZINC000446842489 501172607 /nfs/dbraw/zinc/17/26/07/501172607.db2.gz GCFYZYTZEIBKLP-UHFFFAOYSA-N 1 1 352.394 3.474 20 5 FGBDMO Cc1nc(NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)ncc1[N+](=O)[O-] ZINC000450253872 501219969 /nfs/dbraw/zinc/21/99/69/501219969.db2.gz GJDBXYDLAHPGPE-CQSZACIVSA-N 1 1 355.442 3.102 20 5 FGBDMO O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000451204437 501251964 /nfs/dbraw/zinc/25/19/64/501251964.db2.gz UHIIDUFFTARCEJ-ZDUSSCGKSA-N 1 1 371.359 3.360 20 5 FGBDMO C[C@@]12C[N@@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451372926 501277600 /nfs/dbraw/zinc/27/76/00/501277600.db2.gz RKLSRSWJGMGJLJ-DFHZNHDVSA-N 1 1 352.394 3.289 20 5 FGBDMO CCc1ccc([C@@H]([NH2+]C[C@@]2(C)CCC(=O)N2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000453425134 501329053 /nfs/dbraw/zinc/32/90/53/501329053.db2.gz ODIZNWZFOPHQMN-RBUKOAKNSA-N 1 1 357.410 3.098 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@]4(CCOC4)C3)o2)c1 ZINC000451904059 501397231 /nfs/dbraw/zinc/39/72/31/501397231.db2.gz QHCLUMSITMJDKZ-IBGZPJMESA-N 1 1 357.410 3.295 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000452169992 501450925 /nfs/dbraw/zinc/45/09/25/501450925.db2.gz HLMRGMCGBZCMIE-NVXWUHKLSA-N 1 1 359.470 3.106 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000456329619 501499897 /nfs/dbraw/zinc/49/98/97/501499897.db2.gz LBLSAAWKYBDHAP-AGUYFDCRSA-N 1 1 363.483 3.452 20 5 FGBDMO Cc1cc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000456352089 501507479 /nfs/dbraw/zinc/50/74/79/501507479.db2.gz XWBDIAUTPFDONV-QGZVFWFLSA-N 1 1 367.449 3.497 20 5 FGBDMO CCC[N@H+]1CC[C@H](CNC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000454586000 501584566 /nfs/dbraw/zinc/58/45/66/501584566.db2.gz OSIPBQTVKNWNMN-SJLPKXTDSA-N 1 1 374.485 3.216 20 5 FGBDMO CCn1nncc1C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000598985714 506262898 /nfs/dbraw/zinc/26/28/98/506262898.db2.gz HLKWWBIZBVPYDL-UHFFFAOYSA-N 1 1 366.425 3.264 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000456979257 501629187 /nfs/dbraw/zinc/62/91/87/501629187.db2.gz AHNQIVGXBKGSJX-XLIONFOSSA-N 1 1 367.449 3.337 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000457097858 501650427 /nfs/dbraw/zinc/65/04/27/501650427.db2.gz SOFACMVQBKARJY-CQSZACIVSA-N 1 1 351.472 3.262 20 5 FGBDMO O=[N+]([O-])c1cccnc1N1CC[NH+]([C@H]2CCCc3ccc(F)cc32)CC1 ZINC000459516617 501667653 /nfs/dbraw/zinc/66/76/53/501667653.db2.gz VPWNSXIEXIUPKV-KRWDZBQOSA-N 1 1 356.401 3.329 20 5 FGBDMO CC(C)(C)OC(=O)[C@@]1(C)CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000459594495 501683224 /nfs/dbraw/zinc/68/32/24/501683224.db2.gz WJZMCXMTKDJGHM-SFHVURJKSA-N 1 1 350.415 3.027 20 5 FGBDMO COc1cc(CN2CCC[N@@H+](Cc3ccccc3)CC2)c([N+](=O)[O-])cc1F ZINC000463469168 501732648 /nfs/dbraw/zinc/73/26/48/501732648.db2.gz IXJSMNFWKQYHEG-UHFFFAOYSA-N 1 1 373.428 3.450 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000477618583 501739075 /nfs/dbraw/zinc/73/90/75/501739075.db2.gz VADLKFJZCACDHY-UHFFFAOYSA-N 1 1 361.829 3.418 20 5 FGBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[N@H+]1CCCC[C@H]1C ZINC000485192780 501751891 /nfs/dbraw/zinc/75/18/91/501751891.db2.gz BLIITVWCLORTOM-VXGBXAGGSA-N 1 1 371.384 3.189 20 5 FGBDMO CC(C)[N@H+]1CCC[C@H](NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000470671480 501761304 /nfs/dbraw/zinc/76/13/04/501761304.db2.gz TYPVOAKBWZSMRO-KGLIPLIRSA-N 1 1 351.472 3.064 20 5 FGBDMO CC(C)[N@H+]1CC[C@H](Nc2c([N+](=O)[O-])ncn2C)[C@H]1c1ccc(F)c(F)c1 ZINC000485304699 501783963 /nfs/dbraw/zinc/78/39/63/501783963.db2.gz RCAJMSSWJXDVKG-LSDHHAIUSA-N 1 1 365.384 3.242 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](CCc4ccccc4)CC3)nc2c1 ZINC000460353901 501801227 /nfs/dbraw/zinc/80/12/27/501801227.db2.gz RQJILSKAFQNGET-UHFFFAOYSA-N 1 1 365.437 3.226 20 5 FGBDMO COc1cc(C(=O)NCCC[N@@H+](C)Cc2ccccc2)cc([N+](=O)[O-])c1C ZINC000477844316 501806725 /nfs/dbraw/zinc/80/67/25/501806725.db2.gz DCTJNBGOFOWVSR-UHFFFAOYSA-N 1 1 371.437 3.164 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+]3CCCC[C@H]23)nc1-c1ccc(F)cc1 ZINC000485400018 501809781 /nfs/dbraw/zinc/80/97/81/501809781.db2.gz QCEXARSPRJEORY-JKSUJKDBSA-N 1 1 356.401 3.257 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)[C@H](C)C1 ZINC000596137908 506275238 /nfs/dbraw/zinc/27/52/38/506275238.db2.gz XYNPHNGHBZWAIA-NEPJUHHUSA-N 1 1 369.849 3.201 20 5 FGBDMO COc1ccc(C[NH+]2CCC(O)(Cc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000481630073 501837633 /nfs/dbraw/zinc/83/76/33/501837633.db2.gz QZBKPRUPBNHNLT-UHFFFAOYSA-N 1 1 374.412 3.312 20 5 FGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000481679039 501847338 /nfs/dbraw/zinc/84/73/38/501847338.db2.gz WQGPUVSNIJBCLP-FQEVSTJZSA-N 1 1 354.406 3.495 20 5 FGBDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000470938824 501861952 /nfs/dbraw/zinc/86/19/52/501861952.db2.gz ZTBBULCRNTXLMG-PWSUYJOCSA-N 1 1 373.331 3.166 20 5 FGBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@H](O)C[C@H]3c3ccccc3)nc2c1 ZINC000602731609 506278431 /nfs/dbraw/zinc/27/84/31/506278431.db2.gz ODDJYYWTXWCRJP-RDJZCZTQSA-N 1 1 353.378 3.434 20 5 FGBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@H](O)C[C@H]3c3ccccc3)nc2c1 ZINC000602731609 506278436 /nfs/dbraw/zinc/27/84/36/506278436.db2.gz ODDJYYWTXWCRJP-RDJZCZTQSA-N 1 1 353.378 3.434 20 5 FGBDMO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000464341242 501959766 /nfs/dbraw/zinc/95/97/66/501959766.db2.gz WXUQPRHGGBACQC-OAHLLOKOSA-N 1 1 351.834 3.243 20 5 FGBDMO C[N@H+]1CCC[C@@H]2CN(c3c(Br)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000596167918 506290010 /nfs/dbraw/zinc/29/00/10/506290010.db2.gz IUDRSFLQBUQBND-DGCLKSJQSA-N 1 1 354.248 3.278 20 5 FGBDMO C[C@@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@H]1C ZINC000478671891 502051801 /nfs/dbraw/zinc/05/18/01/502051801.db2.gz URITXTKCPZBOOJ-CVEARBPZSA-N 1 1 362.474 3.166 20 5 FGBDMO COC(=O)c1c(Cl)c(N(C)CCCn2cc[nH+]c2C)ccc1[N+](=O)[O-] ZINC000596169396 506290968 /nfs/dbraw/zinc/29/09/68/506290968.db2.gz IQOOBLQXZTXWRL-UHFFFAOYSA-N 1 1 366.805 3.066 20 5 FGBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000468485072 502076382 /nfs/dbraw/zinc/07/63/82/502076382.db2.gz XCYMILWVJJCRKP-WMZOPIPTSA-N 1 1 361.486 3.400 20 5 FGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000468635565 502132642 /nfs/dbraw/zinc/13/26/42/502132642.db2.gz QSBFFZLHWLDPOQ-QMJOVRGKSA-N 1 1 359.470 3.089 20 5 FGBDMO CSc1cccc(C(=O)NCC[N@@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000486485864 502168104 /nfs/dbraw/zinc/16/81/04/502168104.db2.gz WKEFGDQFLSUDIS-UHFFFAOYSA-N 1 1 351.472 3.311 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+](C)Cc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000475586355 502219521 /nfs/dbraw/zinc/21/95/21/502219521.db2.gz SJAJCJBLNXBZGZ-UHFFFAOYSA-N 1 1 358.394 3.087 20 5 FGBDMO Cc1cc(NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c(F)cc1[N+](=O)[O-] ZINC000461939155 502245416 /nfs/dbraw/zinc/24/54/16/502245416.db2.gz FTXMPAZOFGGZLU-CVEARBPZSA-N 1 1 359.401 3.090 20 5 FGBDMO Cc1cc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c(F)cc1[N+](=O)[O-] ZINC000461948210 502248830 /nfs/dbraw/zinc/24/88/30/502248830.db2.gz MDYYMEGHPCDMQW-WMZOPIPTSA-N 1 1 373.428 3.337 20 5 FGBDMO C[C@]1(C(N)=O)CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000475677566 502251717 /nfs/dbraw/zinc/25/17/17/502251717.db2.gz GNDYFMVOJXJBSS-IBGZPJMESA-N 1 1 373.384 3.224 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000475707392 502259444 /nfs/dbraw/zinc/25/94/44/502259444.db2.gz SLUKSJGUGAFXFI-ZIAGYGMSSA-N 1 1 350.415 3.015 20 5 FGBDMO C[C@@H](CCN1CC[NH+](C)CC1)Nc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000596195846 506302886 /nfs/dbraw/zinc/30/28/86/506302886.db2.gz IROURLGRBYDYRK-LBPRGKRZSA-N 1 1 360.380 3.052 20 5 FGBDMO O=C(C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000483101663 502271710 /nfs/dbraw/zinc/27/17/10/502271710.db2.gz DAKCHMZDLIFMEA-MRXNPFEDSA-N 1 1 369.396 3.113 20 5 FGBDMO O=C(C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000483101663 502271719 /nfs/dbraw/zinc/27/17/19/502271719.db2.gz DAKCHMZDLIFMEA-MRXNPFEDSA-N 1 1 369.396 3.113 20 5 FGBDMO O=C(NC[C@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000472272188 502293488 /nfs/dbraw/zinc/29/34/88/502293488.db2.gz DZFRBXKQSSHVBW-HXUWFJFHSA-N 1 1 367.449 3.422 20 5 FGBDMO COc1cc(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000479633590 502324894 /nfs/dbraw/zinc/32/48/94/502324894.db2.gz FWSICQQBTXVXAP-ZDUSSCGKSA-N 1 1 363.458 3.152 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000462169430 502332086 /nfs/dbraw/zinc/33/20/86/502332086.db2.gz ZXSUJMCDWMCVBR-QAPCUYQASA-N 1 1 353.422 3.154 20 5 FGBDMO CC(C)[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cccc(Br)c1 ZINC000472440263 502352493 /nfs/dbraw/zinc/35/24/93/502352493.db2.gz XDPOMDWKMORTPH-UHFFFAOYSA-N 1 1 367.247 3.464 20 5 FGBDMO Cc1c(CNC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)cccc1[N+](=O)[O-] ZINC000479734635 502360213 /nfs/dbraw/zinc/36/02/13/502360213.db2.gz KNGGOHWBSOXTAV-INIZCTEOSA-N 1 1 362.474 3.070 20 5 FGBDMO C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487286676 502409072 /nfs/dbraw/zinc/40/90/72/502409072.db2.gz MXCPAYVFCZECAC-ZBFHGGJFSA-N 1 1 371.412 3.374 20 5 FGBDMO C[C@@H](c1ccsc1)[NH+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000462452383 502444667 /nfs/dbraw/zinc/44/46/67/502444667.db2.gz QCRRHVHDKYWOKF-HNNXBMFYSA-N 1 1 361.467 3.414 20 5 FGBDMO C[C@@H](c1ccsc1)[NH+]1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000462475766 502454214 /nfs/dbraw/zinc/45/42/14/502454214.db2.gz XMOQGXXOPDWUOH-HNNXBMFYSA-N 1 1 361.467 3.414 20 5 FGBDMO CC[C@@H]1CN(c2c([N+](=O)[O-])c(C)nn2CC)CC[N@H+]1Cc1ccccc1 ZINC000480120954 502478844 /nfs/dbraw/zinc/47/88/44/502478844.db2.gz SUEVTLMFBZQVCA-QGZVFWFLSA-N 1 1 357.458 3.220 20 5 FGBDMO CNc1c(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000462936677 502632538 /nfs/dbraw/zinc/63/25/38/502632538.db2.gz SBKZZSSVBHJDMK-GOEBONIOSA-N 1 1 368.437 3.202 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@@]3(CCCOC3)C2)cccc1[N+](=O)[O-] ZINC000477049583 502660770 /nfs/dbraw/zinc/66/07/70/502660770.db2.gz JZWQMEJKOXLNFK-LJQANCHMSA-N 1 1 361.442 3.124 20 5 FGBDMO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000470140247 502676006 /nfs/dbraw/zinc/67/60/06/502676006.db2.gz DJAIXLZPBAFZKB-UHFFFAOYSA-N 1 1 358.373 3.084 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000488468521 502723708 /nfs/dbraw/zinc/72/37/08/502723708.db2.gz PHCUFDQAWJBXFR-UKRRQHHQSA-N 1 1 359.451 3.297 20 5 FGBDMO COc1cc(C[N@@H+](C(C)C)[C@@H]2CCOC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000463220720 502724335 /nfs/dbraw/zinc/72/43/35/502724335.db2.gz DUERZUVBNLXASQ-CYBMUJFWSA-N 1 1 374.384 3.247 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCCC(C)(C)C2)c1 ZINC000470293527 502727328 /nfs/dbraw/zinc/72/73/28/502727328.db2.gz RNOMYTFITNTTGG-UHFFFAOYSA-N 1 1 351.472 3.169 20 5 FGBDMO COCC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CC[C@H](C)C1 ZINC000484900453 502770105 /nfs/dbraw/zinc/77/01/05/502770105.db2.gz VOCSHFNGGSVHMH-XJKSGUPXSA-N 1 1 360.414 3.282 20 5 FGBDMO Cc1ccc(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000467060717 502774448 /nfs/dbraw/zinc/77/44/48/502774448.db2.gz SSVZVYOBISFZIP-YJBOKZPZSA-N 1 1 353.422 3.296 20 5 FGBDMO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000504913217 502822795 /nfs/dbraw/zinc/82/27/95/502822795.db2.gz CVNFEQSNGCEKFC-QGZVFWFLSA-N 1 1 354.410 3.381 20 5 FGBDMO COCC[N@@H+](C)CC[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000505053138 502846071 /nfs/dbraw/zinc/84/60/71/502846071.db2.gz CBJNCMIMIOSUJL-GOSISDBHSA-N 1 1 371.437 3.034 20 5 FGBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1OCCc2ccccc21 ZINC000501164070 502952170 /nfs/dbraw/zinc/95/21/70/502952170.db2.gz QLELZRNUXYZDHT-IBGZPJMESA-N 1 1 369.421 3.169 20 5 FGBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H]2/C=C/c2ccccc2)c([N+](=O)[O-])c1 ZINC000505841721 502997354 /nfs/dbraw/zinc/99/73/54/502997354.db2.gz XRLAQYRNGUHLEA-VEGGFIAOSA-N 1 1 351.406 3.372 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]CCCOc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000513684241 503000176 /nfs/dbraw/zinc/00/01/76/503000176.db2.gz PRCFLFOYHYOEAP-IBGZPJMESA-N 1 1 366.421 3.476 20 5 FGBDMO COCCC1(C[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000513691129 503001372 /nfs/dbraw/zinc/00/13/72/503001372.db2.gz RLQMHLPLGKMDJV-KRWDZBQOSA-N 1 1 358.442 3.214 20 5 FGBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514212509 503113717 /nfs/dbraw/zinc/11/37/17/503113717.db2.gz FIJOHIPFULVEOB-ZDUSSCGKSA-N 1 1 371.384 3.143 20 5 FGBDMO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000506500096 503127254 /nfs/dbraw/zinc/12/72/54/503127254.db2.gz OEOJGUZFAZTPKK-AWEZNQCLSA-N 1 1 369.421 3.256 20 5 FGBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000506842206 503182346 /nfs/dbraw/zinc/18/23/46/503182346.db2.gz SPBKRLMASDCNAP-UHFFFAOYSA-N 1 1 371.412 3.011 20 5 FGBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000506842206 503182348 /nfs/dbraw/zinc/18/23/48/503182348.db2.gz SPBKRLMASDCNAP-UHFFFAOYSA-N 1 1 371.412 3.011 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCc1ccccc1O ZINC000514965852 503237896 /nfs/dbraw/zinc/23/78/96/503237896.db2.gz KPKFSSGZOHQDCB-UHFFFAOYSA-N 1 1 357.410 3.112 20 5 FGBDMO C[C@@H](C(=O)N1CCCc2ccccc21)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511059277 503243481 /nfs/dbraw/zinc/24/34/81/503243481.db2.gz LBYKLDSJDXCQLD-INIZCTEOSA-N 1 1 367.449 3.437 20 5 FGBDMO C[C@@H](C(=O)N1CCCc2ccccc21)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511059277 503243484 /nfs/dbraw/zinc/24/34/84/503243484.db2.gz LBYKLDSJDXCQLD-INIZCTEOSA-N 1 1 367.449 3.437 20 5 FGBDMO C[C@H]1C[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000507279937 503267478 /nfs/dbraw/zinc/26/74/78/503267478.db2.gz KQQPFPTZTGYTCD-YOEHRIQHSA-N 1 1 369.421 3.083 20 5 FGBDMO C[C@H]1C[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000507279937 503267483 /nfs/dbraw/zinc/26/74/83/503267483.db2.gz KQQPFPTZTGYTCD-YOEHRIQHSA-N 1 1 369.421 3.083 20 5 FGBDMO C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511139240 503267529 /nfs/dbraw/zinc/26/75/29/503267529.db2.gz QADRQLHIDXFMAR-HOTGVXAUSA-N 1 1 367.449 3.435 20 5 FGBDMO C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511139240 503267533 /nfs/dbraw/zinc/26/75/33/503267533.db2.gz QADRQLHIDXFMAR-HOTGVXAUSA-N 1 1 367.449 3.435 20 5 FGBDMO Cc1c(Br)c(N[C@H]2CC[N@H+](C(C)(C)C)C2)ncc1[N+](=O)[O-] ZINC000596336074 506362052 /nfs/dbraw/zinc/36/20/52/506362052.db2.gz LRTVGJXDCNEHIM-JTQLQIEISA-N 1 1 357.252 3.345 20 5 FGBDMO Cc1cccc(C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000507645100 503337522 /nfs/dbraw/zinc/33/75/22/503337522.db2.gz PBZAJWRVGIDWEX-WBVHZDCISA-N 1 1 353.422 3.469 20 5 FGBDMO Cn1cc(C[N@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000499213607 503356382 /nfs/dbraw/zinc/35/63/82/503356382.db2.gz NYEDOAPBVYNFRL-QZTJIDSGSA-N 1 1 372.469 3.224 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000511676976 503367983 /nfs/dbraw/zinc/36/79/83/503367983.db2.gz DECOREOILLWZHW-NVXWUHKLSA-N 1 1 353.422 3.469 20 5 FGBDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000499452302 503408212 /nfs/dbraw/zinc/40/82/12/503408212.db2.gz BVHVUHXDELBEQZ-HUUCEWRRSA-N 1 1 371.412 3.469 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000499452302 503408215 /nfs/dbraw/zinc/40/82/15/503408215.db2.gz BVHVUHXDELBEQZ-HUUCEWRRSA-N 1 1 371.412 3.469 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000511895784 503409600 /nfs/dbraw/zinc/40/96/00/503409600.db2.gz LZGRUMJXSRDHLC-IPMKNSEASA-N 1 1 353.422 3.025 20 5 FGBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000503615187 503446337 /nfs/dbraw/zinc/44/63/37/503446337.db2.gz MSTQQMJTKAUPGH-HNNXBMFYSA-N 1 1 358.442 3.461 20 5 FGBDMO C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1Cc1ccccc1 ZINC000494026663 503476528 /nfs/dbraw/zinc/47/65/28/503476528.db2.gz JIDJNISLGDWXOU-UGSOOPFHSA-N 1 1 357.385 3.127 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)c1 ZINC000512408953 503540649 /nfs/dbraw/zinc/54/06/49/503540649.db2.gz KXZLFOFLGYDALO-UHFFFAOYSA-N 1 1 371.462 3.273 20 5 FGBDMO C[C@@H](NC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000516583605 503542324 /nfs/dbraw/zinc/54/23/24/503542324.db2.gz HNBHJEYCGSJBGX-HUUCEWRRSA-N 1 1 362.474 3.466 20 5 FGBDMO Cc1ccc(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c(=O)n1C ZINC000494462487 503545669 /nfs/dbraw/zinc/54/56/69/503545669.db2.gz BNIYKVTVULZJBS-FQEVSTJZSA-N 1 1 363.417 3.481 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC000500109413 503556477 /nfs/dbraw/zinc/55/64/77/503556477.db2.gz CMMRPCOWOJYCKP-OLZOCXBDSA-N 1 1 351.472 3.262 20 5 FGBDMO CN(C)c1cc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc[nH+]1 ZINC000500410200 503617046 /nfs/dbraw/zinc/61/70/46/503617046.db2.gz KSEMGVFXWWZGJC-UHFFFAOYSA-N 1 1 369.406 3.432 20 5 FGBDMO CN(C)c1cc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc[nH+]1 ZINC000500435802 503624313 /nfs/dbraw/zinc/62/43/13/503624313.db2.gz KAGSDUJUIAFTML-UHFFFAOYSA-N 1 1 365.187 3.071 20 5 FGBDMO C[C@@H]1C[N@H+](CCCCNc2ccc([N+](=O)[O-])cc2OC(F)F)C[C@H](C)O1 ZINC000546182221 503661421 /nfs/dbraw/zinc/66/14/21/503661421.db2.gz XWFLKJSBQOTXFQ-BETUJISGSA-N 1 1 373.400 3.498 20 5 FGBDMO CC1(C)Cc2cccc(C[N@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)c2O1 ZINC000536679957 503676824 /nfs/dbraw/zinc/67/68/24/503676824.db2.gz YMKTXKUFHLQLIN-INIZCTEOSA-N 1 1 368.437 3.390 20 5 FGBDMO COc1ccccc1[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000532968387 503679096 /nfs/dbraw/zinc/67/90/96/503679096.db2.gz GSTPVIAMFKKHCS-HUUCEWRRSA-N 1 1 369.421 3.420 20 5 FGBDMO COc1ccccc1[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000532968387 503679100 /nfs/dbraw/zinc/67/91/00/503679100.db2.gz GSTPVIAMFKKHCS-HUUCEWRRSA-N 1 1 369.421 3.420 20 5 FGBDMO Cc1ccc([C@@H]2CC[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000543248906 503699553 /nfs/dbraw/zinc/69/95/53/503699553.db2.gz HMZNKBIOSKZMOB-QZTJIDSGSA-N 1 1 356.422 3.132 20 5 FGBDMO O=C1[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCN1Cc1ccccc1 ZINC000543399025 503754229 /nfs/dbraw/zinc/75/42/29/503754229.db2.gz VFBQTPOEIBMIKK-KRWDZBQOSA-N 1 1 359.813 3.139 20 5 FGBDMO COC(=O)CC[N@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000527304575 503758667 /nfs/dbraw/zinc/75/86/67/503758667.db2.gz ZKNIYITYVJTGCK-RXBGNRNISA-N 1 1 362.426 3.042 20 5 FGBDMO CCc1ccc([C@@H]([NH2+]CCc2nc(C)no2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543424421 503763821 /nfs/dbraw/zinc/76/38/21/503763821.db2.gz SJPXVGWFFQABED-SFHVURJKSA-N 1 1 356.382 3.363 20 5 FGBDMO CCN1CC[C@H]([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000533310236 503802025 /nfs/dbraw/zinc/80/20/25/503802025.db2.gz FHPQHYSFBFAUAI-CVEARBPZSA-N 1 1 362.474 3.036 20 5 FGBDMO CCN1CC[C@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000533310236 503802031 /nfs/dbraw/zinc/80/20/31/503802031.db2.gz 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CC(C)(C)C[C@@H]1CCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544057747 503990512 /nfs/dbraw/zinc/99/05/12/503990512.db2.gz PBMXYHRIILFPAJ-HNNXBMFYSA-N 1 1 354.472 3.269 20 5 FGBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+](CC2CCCCC2)C2CC2)cc1 ZINC000544070667 503996975 /nfs/dbraw/zinc/99/69/75/503996975.db2.gz ILPASKZPKZRHGU-UHFFFAOYSA-N 1 1 366.483 3.413 20 5 FGBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+](CC2CCCCC2)C2CC2)cc1 ZINC000544070667 503996981 /nfs/dbraw/zinc/99/69/81/503996981.db2.gz ILPASKZPKZRHGU-UHFFFAOYSA-N 1 1 366.483 3.413 20 5 FGBDMO Cc1cccc([C@H]2CC[N@@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C2)c1 ZINC000544187045 504039999 /nfs/dbraw/zinc/03/99/99/504039999.db2.gz JJLCSLMHBGSNQN-SFHVURJKSA-N 1 1 365.433 3.282 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534248130 504082757 /nfs/dbraw/zinc/08/27/57/504082757.db2.gz OKKPHHLBEJNMDV-UHFFFAOYSA-N 1 1 368.437 3.051 20 5 FGBDMO O=[N+]([O-])c1ccc(OCC[N@@H+](Cc2ccccc2)[C@@H](CO)C2CC2)cc1 ZINC000534356677 504120424 /nfs/dbraw/zinc/12/04/24/504120424.db2.gz PESBRMXLBIXJQK-FQEVSTJZSA-N 1 1 356.422 3.247 20 5 FGBDMO CC(C)Oc1ccccc1[C@H](C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000538126355 504137983 /nfs/dbraw/zinc/13/79/83/504137983.db2.gz KIRHBXIJQCOCII-ZDUSSCGKSA-N 1 1 357.410 3.332 20 5 FGBDMO CC(C)c1[nH]nc(C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)c1[N+](=O)[O-] ZINC000538229137 504170697 /nfs/dbraw/zinc/17/06/97/504170697.db2.gz LKKSFKPPTSMOFC-UHFFFAOYSA-N 1 1 371.441 3.330 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000538252639 504177921 /nfs/dbraw/zinc/17/79/21/504177921.db2.gz GZQWZWFYGHRNTL-OAHLLOKOSA-N 1 1 363.483 3.404 20 5 FGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H]2Cn2cnc3ccccc32)c1 ZINC000534581335 504182792 /nfs/dbraw/zinc/18/27/92/504182792.db2.gz GZXUMHAOORVNAD-QGZVFWFLSA-N 1 1 366.421 3.488 20 5 FGBDMO CCC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CC[N@H+]1Cc1ccccc1 ZINC000538331421 504210171 /nfs/dbraw/zinc/21/01/71/504210171.db2.gz PIVBKTUUIXVJBM-QGZVFWFLSA-N 1 1 370.453 3.060 20 5 FGBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@]3(CC[C@@H](C)C3)C2)c([N+](=O)[O-])c1 ZINC000541951824 504312320 /nfs/dbraw/zinc/31/23/20/504312320.db2.gz KVONSNBUNDKDCJ-AUUYWEPGSA-N 1 1 361.442 3.444 20 5 FGBDMO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000548126821 504340182 /nfs/dbraw/zinc/34/01/82/504340182.db2.gz ZTHUHKITUDQEJO-INIZCTEOSA-N 1 1 360.458 3.116 20 5 FGBDMO C[N@@H+](CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000545149664 504375821 /nfs/dbraw/zinc/37/58/21/504375821.db2.gz KYPONUGIVNOMDP-UHFFFAOYSA-N 1 1 351.422 3.002 20 5 FGBDMO C[C@@H]1C[N@H+](C[C@H]2CCCN2c2ccc3ncccc3c2[N+](=O)[O-])C[C@H](C)O1 ZINC000548614403 504495992 /nfs/dbraw/zinc/49/59/92/504495992.db2.gz PCYCMNPHDDQUOA-OWCLPIDISA-N 1 1 370.453 3.221 20 5 FGBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000539199297 504496834 /nfs/dbraw/zinc/49/68/34/504496834.db2.gz 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C[C@@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[N@@H+](C)Cc1ccccc1 ZINC000521161297 504665858 /nfs/dbraw/zinc/66/58/58/504665858.db2.gz ZBAQTSBCSAUSJW-AWEZNQCLSA-N 1 1 366.421 3.326 20 5 FGBDMO CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000542959334 504672751 /nfs/dbraw/zinc/67/27/51/504672751.db2.gz RTAHYADPLNUPJZ-CQSZACIVSA-N 1 1 373.413 3.059 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3OCC3CC3)C2)nc1 ZINC000539837689 504712568 /nfs/dbraw/zinc/71/25/68/504712568.db2.gz TUZFPWAYUBJMIY-KRWDZBQOSA-N 1 1 368.437 3.465 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC000549414165 504815682 /nfs/dbraw/zinc/81/56/82/504815682.db2.gz BLXXTICHOKWCEN-CQSZACIVSA-N 1 1 363.458 3.234 20 5 FGBDMO COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1C ZINC000556239345 504826488 /nfs/dbraw/zinc/82/64/88/504826488.db2.gz ZHHIOZHEJVEJEO-AAEUAGOBSA-N 1 1 373.409 3.248 20 5 FGBDMO Cc1ccccc1[C@H](C)[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000559451059 504866232 /nfs/dbraw/zinc/86/62/32/504866232.db2.gz ZZCNMVRZXHHYCW-INIZCTEOSA-N 1 1 353.422 3.422 20 5 FGBDMO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000553598861 504958983 /nfs/dbraw/zinc/95/89/83/504958983.db2.gz XBSIQOVMRMRODR-HOCLYGCPSA-N 1 1 363.458 3.072 20 5 FGBDMO Cn1ccnc1[C@@H](N[C@@H]1CC[N@H+](C2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000556871979 505001391 /nfs/dbraw/zinc/00/13/91/505001391.db2.gz NWWXFIOLHBIWQQ-APWZRJJASA-N 1 1 369.469 3.024 20 5 FGBDMO COc1cc([N+](=O)[O-])c(C(=O)N2CC[NH2+]Cc3ccccc32)cc1SC ZINC000562976830 505006719 /nfs/dbraw/zinc/00/67/19/505006719.db2.gz SPMYJRCNNXUMBA-UHFFFAOYSA-N 1 1 373.434 3.075 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCCC[C@H]1C1(O)CC1 ZINC000565947083 505035546 /nfs/dbraw/zinc/03/55/46/505035546.db2.gz HYBXFKMLVJPQBI-AWEZNQCLSA-N 1 1 355.232 3.237 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCCC[C@H]1C1(O)CC1 ZINC000565947083 505035549 /nfs/dbraw/zinc/03/55/49/505035549.db2.gz HYBXFKMLVJPQBI-AWEZNQCLSA-N 1 1 355.232 3.237 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]CCSCC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000560545191 505121856 /nfs/dbraw/zinc/12/18/56/505121856.db2.gz OJIBDKAVHOCODM-CYBMUJFWSA-N 1 1 374.388 3.303 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]1c1cccnc1 ZINC000563557578 505176043 /nfs/dbraw/zinc/17/60/43/505176043.db2.gz UEHLDDPPRCNWTG-SFHVURJKSA-N 1 1 354.410 3.464 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000566604395 505219693 /nfs/dbraw/zinc/21/96/93/505219693.db2.gz CKQMDVPTKMSJRC-QGZVFWFLSA-N 1 1 353.422 3.250 20 5 FGBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000554681148 505239181 /nfs/dbraw/zinc/23/91/81/505239181.db2.gz VOTKEQKLLOKGSN-UHFFFAOYSA-N 1 1 363.506 3.458 20 5 FGBDMO C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+](C2CCC2)C1 ZINC000557835761 505242118 /nfs/dbraw/zinc/24/21/18/505242118.db2.gz LPSPKLMWTLTWOV-CYBMUJFWSA-N 1 1 365.861 3.124 20 5 FGBDMO CC(=O)c1ccc(NC(=O)CC[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000566808958 505277871 /nfs/dbraw/zinc/27/78/71/505277871.db2.gz IZEWJRUKLVOZJF-UHFFFAOYSA-N 1 1 369.421 3.301 20 5 FGBDMO CSc1cccc(C(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000558011042 505284222 /nfs/dbraw/zinc/28/42/22/505284222.db2.gz LZBSRWKTSOHFNR-KCQAQPDRSA-N 1 1 363.483 3.119 20 5 FGBDMO C[C@]1(NC(=O)NCc2cccc([N+](=O)[O-])c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000563963409 505289957 /nfs/dbraw/zinc/28/99/57/505289957.db2.gz LTHCBTQVFBORJJ-FQEVSTJZSA-N 1 1 368.437 3.059 20 5 FGBDMO CCO[C@@H](CC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000563984740 505294709 /nfs/dbraw/zinc/29/47/09/505294709.db2.gz VZGCPFUCDJDQEI-ROUUACIJSA-N 1 1 360.458 3.459 20 5 FGBDMO CCOc1cc(C[N@H+](C)Cc2ccc3c(c2)OCCO3)ccc1[N+](=O)[O-] ZINC000566891432 505302403 /nfs/dbraw/zinc/30/24/03/505302403.db2.gz NYZCLBNXSDFNER-UHFFFAOYSA-N 1 1 358.394 3.397 20 5 FGBDMO CCOc1cc(C[N@@H+](C)Cc2ccc3c(c2)OCCO3)ccc1[N+](=O)[O-] ZINC000566891432 505302406 /nfs/dbraw/zinc/30/24/06/505302406.db2.gz NYZCLBNXSDFNER-UHFFFAOYSA-N 1 1 358.394 3.397 20 5 FGBDMO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000561530417 505369904 /nfs/dbraw/zinc/36/99/04/505369904.db2.gz ZRZFVOGBHRVFRR-ZDUSSCGKSA-N 1 1 371.384 3.143 20 5 FGBDMO COc1ccccc1-n1nccc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000564312150 505379907 /nfs/dbraw/zinc/37/99/07/505379907.db2.gz CNHKYRTYCXEZDC-UHFFFAOYSA-N 1 1 366.421 3.464 20 5 FGBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@@H](C)C1 ZINC000561760291 505429018 /nfs/dbraw/zinc/42/90/18/505429018.db2.gz BROQHZPOLXEQQW-WOSRLPQWSA-N 1 1 357.410 3.143 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000561762126 505429961 /nfs/dbraw/zinc/42/99/61/505429961.db2.gz PYXLFNQKFXTYAJ-OGHNNQOOSA-N 1 1 359.470 3.322 20 5 FGBDMO Cn1ccnc1[C@@H](NC[C@@H]1[N@@H+](C)CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000552265364 505444737 /nfs/dbraw/zinc/44/47/37/505444737.db2.gz UXDMNFIZHCLHNQ-ROUUACIJSA-N 1 1 371.485 3.128 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H](c2ccco2)c2ccccc2)c1 ZINC000561839086 505447725 /nfs/dbraw/zinc/44/77/25/505447725.db2.gz KWAGLEAGULVCGO-XLIONFOSSA-N 1 1 368.389 3.307 20 5 FGBDMO COc1ccc(C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC2CCC2)c(OC)c1 ZINC000558737857 505478711 /nfs/dbraw/zinc/47/87/11/505478711.db2.gz KBLRSFYLDCKXOZ-UHFFFAOYSA-N 1 1 374.441 3.111 20 5 FGBDMO C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558740124 505479196 /nfs/dbraw/zinc/47/91/96/505479196.db2.gz VQYPAQMIQFOPDT-AWEZNQCLSA-N 1 1 373.478 3.104 20 5 FGBDMO CCC[N@@H+](CC)CCNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000555849640 505526903 /nfs/dbraw/zinc/52/69/03/505526903.db2.gz YRVLPDNWHIDGJF-UHFFFAOYSA-N 1 1 372.263 3.127 20 5 FGBDMO CC(C)(C)N1CC[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O ZINC000564961292 505563505 /nfs/dbraw/zinc/56/35/05/505563505.db2.gz OSGFYTOVKMYYBQ-INIZCTEOSA-N 1 1 357.410 3.344 20 5 FGBDMO C[C@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCc2ccccc21 ZINC000593094411 506389933 /nfs/dbraw/zinc/38/99/33/506389933.db2.gz FWPJITSMFSISPS-HNNXBMFYSA-N 1 1 353.422 3.219 20 5 FGBDMO O=C(N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccc([N+](=O)[O-])o1 ZINC000612133340 506454067 /nfs/dbraw/zinc/45/40/67/506454067.db2.gz XGNXMRYJCDDNNL-IXDOHACOSA-N 1 1 369.421 3.218 20 5 FGBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000593225435 506479217 /nfs/dbraw/zinc/47/92/17/506479217.db2.gz CQGGDBFCHYZFCG-OWCLPIDISA-N 1 1 370.453 3.057 20 5 FGBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000593225080 506479865 /nfs/dbraw/zinc/47/98/65/506479865.db2.gz BDXKVRVUCZDZKW-OWCLPIDISA-N 1 1 368.437 3.113 20 5 FGBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000593245854 506491869 /nfs/dbraw/zinc/49/18/69/506491869.db2.gz WWJQWGQHGAENAV-QLFBSQMISA-N 1 1 356.426 3.046 20 5 FGBDMO COc1cccc([N+](=O)[O-])c1NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000582990450 506526719 /nfs/dbraw/zinc/52/67/19/506526719.db2.gz IIQVIGHXKIOPFO-QGZVFWFLSA-N 1 1 371.437 3.172 20 5 FGBDMO COc1ccc(NC(=O)CC[N@H+]2CCC(F)(F)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000599621850 506534975 /nfs/dbraw/zinc/53/49/75/506534975.db2.gz ICVGLRHCTPEJNX-NSHDSACASA-N 1 1 357.357 3.052 20 5 FGBDMO CC1(C)[C@H](c2cccc(F)c2)CC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000599631146 506539711 /nfs/dbraw/zinc/53/97/11/506539711.db2.gz WTPFMESUUURWNX-KRWDZBQOSA-N 1 1 359.401 3.164 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)CCOc2ccc(F)cc2)c1 ZINC000589494803 506569330 /nfs/dbraw/zinc/56/93/30/506569330.db2.gz PIKIOYHFPPDPPJ-UHFFFAOYSA-N 1 1 362.357 3.031 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)CCOc2ccc(F)cc2)c1 ZINC000589494803 506569334 /nfs/dbraw/zinc/56/93/34/506569334.db2.gz PIKIOYHFPPDPPJ-UHFFFAOYSA-N 1 1 362.357 3.031 20 5 FGBDMO CCCO[C@@H]1CCC[N@@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000589498036 506569674 /nfs/dbraw/zinc/56/96/74/506569674.db2.gz MQQXRWUCEIMKIE-MRXNPFEDSA-N 1 1 350.415 3.163 20 5 FGBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1(C)C ZINC000589502217 506570936 /nfs/dbraw/zinc/57/09/36/506570936.db2.gz OYVYQSWZTFLVCN-HZPDHXFCSA-N 1 1 350.415 3.017 20 5 FGBDMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000603730264 506603510 /nfs/dbraw/zinc/60/35/10/506603510.db2.gz DMRBRCNIFABSSP-INIZCTEOSA-N 1 1 365.389 3.345 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000612614256 506651716 /nfs/dbraw/zinc/65/17/16/506651716.db2.gz JUHXEGPOTAEVBA-INIZCTEOSA-N 1 1 372.400 3.472 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599834327 506666426 /nfs/dbraw/zinc/66/64/26/506666426.db2.gz HDONOIDCELMPPZ-LBPRGKRZSA-N 1 1 357.414 3.137 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCc2ccc(O)cc2CC1 ZINC000608866645 506731167 /nfs/dbraw/zinc/73/11/67/506731167.db2.gz JQPZDNJYCOXPAB-UHFFFAOYSA-N 1 1 369.421 3.038 20 5 FGBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000590427052 506819769 /nfs/dbraw/zinc/81/97/69/506819769.db2.gz KNJXLBJCUCQCKC-LJQANCHMSA-N 1 1 367.449 3.166 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCN([C@@H]4CCOC4)CC3)s2)cc1 ZINC000597202470 506832893 /nfs/dbraw/zinc/83/28/93/506832893.db2.gz CETJVHXAMIGERS-QGZVFWFLSA-N 1 1 373.478 3.230 20 5 FGBDMO CC(C)c1ccc(C[NH+]2CCC(C)(N3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000600201411 506840326 /nfs/dbraw/zinc/84/03/26/506840326.db2.gz KFHDTRJUUPPLAK-UHFFFAOYSA-N 1 1 361.486 3.405 20 5 FGBDMO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000597224474 506846260 /nfs/dbraw/zinc/84/62/60/506846260.db2.gz HBVDQLVUGBSOHM-AWEZNQCLSA-N 1 1 372.425 3.043 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c([N+](=O)[O-])cc1OC ZINC000597226687 506846654 /nfs/dbraw/zinc/84/66/54/506846654.db2.gz VYYYWNWTNIRVIV-RHSMWYFYSA-N 1 1 364.442 3.393 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000590600751 506875856 /nfs/dbraw/zinc/87/58/56/506875856.db2.gz MHRNBAOGIGAUJM-HUUCEWRRSA-N 1 1 354.410 3.196 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000590600751 506875859 /nfs/dbraw/zinc/87/58/59/506875859.db2.gz MHRNBAOGIGAUJM-HUUCEWRRSA-N 1 1 354.410 3.196 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cc4cc(Cl)cnc4o3)C2)nc1 ZINC000590639586 506893455 /nfs/dbraw/zinc/89/34/55/506893455.db2.gz ZKZJSGADDLPBGF-CYBMUJFWSA-N 1 1 373.800 3.471 20 5 FGBDMO C[C@@H]1C[C@@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c2ccccc2O1 ZINC000590655656 506897905 /nfs/dbraw/zinc/89/79/05/506897905.db2.gz OCSKOWJDXBOYRY-IUODEOHRSA-N 1 1 356.378 3.368 20 5 FGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)cc1 ZINC000590748355 506936093 /nfs/dbraw/zinc/93/60/93/506936093.db2.gz QPHXYRWHESWSMW-PMACEKPBSA-N 1 1 374.412 3.164 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2cc[nH]n2)cc1 ZINC000609620508 506949166 /nfs/dbraw/zinc/94/91/66/506949166.db2.gz IPGJBHLERBEHLZ-UHFFFAOYSA-N 1 1 374.404 3.460 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccncc1OC[C@@H]1CCOC1 ZINC000583775385 506966628 /nfs/dbraw/zinc/96/66/28/506966628.db2.gz IXNXLNFIQYFSCW-OAHLLOKOSA-N 1 1 357.410 3.003 20 5 FGBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000594198706 507003108 /nfs/dbraw/zinc/00/31/08/507003108.db2.gz VDMUJRFDEPEFPT-ZFWWWQNUSA-N 1 1 371.359 3.360 20 5 FGBDMO CC(C)[N@@H+](C)Cc1ccccc1CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000609849526 507023238 /nfs/dbraw/zinc/02/32/38/507023238.db2.gz HWFJHLIRUHYDNE-UHFFFAOYSA-N 1 1 365.437 3.412 20 5 FGBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000594284408 507063737 /nfs/dbraw/zinc/06/37/37/507063737.db2.gz XCOAITLUWUPADP-RBUKOAKNSA-N 1 1 372.469 3.286 20 5 FGBDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C2 ZINC000597710371 507070534 /nfs/dbraw/zinc/07/05/34/507070534.db2.gz LFSAYPSIVLAPDH-INIZCTEOSA-N 1 1 371.359 3.172 20 5 FGBDMO C[C@@H](C1CC1)N(C)c1ccc([N+](=O)[O-])c(NC(=O)C[N@@H+](C)[C@@H](C)C2CC2)c1 ZINC000591010683 507076165 /nfs/dbraw/zinc/07/61/65/507076165.db2.gz NPPKXNAHMKWDPL-KBPBESRZSA-N 1 1 374.485 3.498 20 5 FGBDMO C[NH2+]CCOCCN(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000600775396 507114641 /nfs/dbraw/zinc/11/46/41/507114641.db2.gz NOQZUKTWYXOMKZ-UHFFFAOYSA-N 1 1 367.833 3.176 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000597856018 507135340 /nfs/dbraw/zinc/13/53/40/507135340.db2.gz UZDVUFICPWZDAV-LBPRGKRZSA-N 1 1 351.472 3.167 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000597858500 507138005 /nfs/dbraw/zinc/13/80/05/507138005.db2.gz MFRZNKOZJMLZTN-CYBMUJFWSA-N 1 1 369.849 3.006 20 5 FGBDMO CCc1nsc(N2CCC[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000610372068 507219489 /nfs/dbraw/zinc/21/94/89/507219489.db2.gz FRLZDZHMASNJOY-CYBMUJFWSA-N 1 1 361.471 3.282 20 5 FGBDMO CCc1nsc(N2CCC[N@H+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000610372068 507219500 /nfs/dbraw/zinc/21/95/00/507219500.db2.gz FRLZDZHMASNJOY-CYBMUJFWSA-N 1 1 361.471 3.282 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]cc(CCNc3cc[nH+]cc3Br)c2c1 ZINC000584253651 507236686 /nfs/dbraw/zinc/23/66/86/507236686.db2.gz IBZIIGYGVMXKBP-UHFFFAOYSA-N 1 1 361.199 3.310 20 5 FGBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000610446091 507243567 /nfs/dbraw/zinc/24/35/67/507243567.db2.gz POKCAZMJSLQOTK-INIZCTEOSA-N 1 1 353.422 3.331 20 5 FGBDMO Cc1nc(C[NH+]2CCC(CNc3ncc(F)cc3[N+](=O)[O-])CC2)oc1C ZINC000601116809 507266195 /nfs/dbraw/zinc/26/61/95/507266195.db2.gz XMXSMFTYHKMNPP-UHFFFAOYSA-N 1 1 363.393 3.058 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@@H](C(F)(F)F)[C@@H](CO)C3)c2c1 ZINC000601164903 507285018 /nfs/dbraw/zinc/28/50/18/507285018.db2.gz HZYXMNXESDITGJ-ZWNOBZJWSA-N 1 1 355.316 3.140 20 5 FGBDMO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000601179070 507289557 /nfs/dbraw/zinc/28/95/57/507289557.db2.gz KMGPJQHUWCSNGQ-HNNXBMFYSA-N 1 1 357.385 3.128 20 5 FGBDMO COc1ccc([C@@H](CCO)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000595021652 507357137 /nfs/dbraw/zinc/35/71/37/507357137.db2.gz QVODEBLDCIXBRB-FZKQIMNGSA-N 1 1 360.410 3.386 20 5 FGBDMO CCOc1ccc2c(c1)[C@H]([NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-])CCO2 ZINC000614101032 507365598 /nfs/dbraw/zinc/36/55/98/507365598.db2.gz JMXRXYRPNHSXLY-OAHLLOKOSA-N 1 1 374.393 3.321 20 5 FGBDMO C[C@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000595050131 507367663 /nfs/dbraw/zinc/36/76/63/507367663.db2.gz PZGADHQNYBENRS-KDOFPFPSSA-N 1 1 351.410 3.206 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)C(=O)NCCc1ccccc1 ZINC000595050743 507368061 /nfs/dbraw/zinc/36/80/61/507368061.db2.gz KDQCNFPJHBSKMK-CABCVRRESA-N 1 1 371.437 3.001 20 5 FGBDMO CCc1ccc([C@H]([NH2+]C[C@@H](OC)[C@@H]2CCOC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000595060629 507372714 /nfs/dbraw/zinc/37/27/14/507372714.db2.gz NAJHLDSIGRNTQH-CDHQVMDDSA-N 1 1 374.437 3.481 20 5 FGBDMO CCc1ccc([C@H]([NH2+]C[C@H](OC)[C@@H]2CCOC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000595060632 507372759 /nfs/dbraw/zinc/37/27/59/507372759.db2.gz NAJHLDSIGRNTQH-UIAACRFSSA-N 1 1 374.437 3.481 20 5 FGBDMO CCOC(=O)Cc1ccc(N[C@@H]2C[N@@H+](C)Cc3ccccc32)c([N+](=O)[O-])c1 ZINC000591923485 507410664 /nfs/dbraw/zinc/41/06/64/507410664.db2.gz AQBKSJSCNVIXBA-GOSISDBHSA-N 1 1 369.421 3.299 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCOCC2(CCCC2)C1 ZINC000614222906 507413058 /nfs/dbraw/zinc/41/30/58/507413058.db2.gz PMVIXZRUYWQRPT-UHFFFAOYSA-N 1 1 361.442 3.124 20 5 FGBDMO O=C(CC1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1)NC1CCCC1 ZINC000595295556 507450377 /nfs/dbraw/zinc/45/03/77/507450377.db2.gz ZYSOAIALYKFKNE-UHFFFAOYSA-N 1 1 363.433 3.395 20 5 FGBDMO CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595293726 507451528 /nfs/dbraw/zinc/45/15/28/507451528.db2.gz FLAUVPINXWKZTR-ZFWWWQNUSA-N 1 1 351.422 3.251 20 5 FGBDMO CCCCCC(=O)NC1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595298204 507453529 /nfs/dbraw/zinc/45/35/29/507453529.db2.gz OQEXPSIHFVLKEK-UHFFFAOYSA-N 1 1 351.422 3.395 20 5 FGBDMO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595318091 507459724 /nfs/dbraw/zinc/45/97/24/507459724.db2.gz KSCHXDWPKVLPQL-CYBMUJFWSA-N 1 1 351.422 3.108 20 5 FGBDMO CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595318091 507459731 /nfs/dbraw/zinc/45/97/31/507459731.db2.gz KSCHXDWPKVLPQL-CYBMUJFWSA-N 1 1 351.422 3.108 20 5 FGBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000598508679 507465104 /nfs/dbraw/zinc/46/51/04/507465104.db2.gz HHYZEEGCPBVXOW-QGZVFWFLSA-N 1 1 373.840 3.181 20 5 FGBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000598508341 507465115 /nfs/dbraw/zinc/46/51/15/507465115.db2.gz GOOYHHFSPXYQNZ-QGZVFWFLSA-N 1 1 371.462 3.078 20 5 FGBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000598508341 507465119 /nfs/dbraw/zinc/46/51/19/507465119.db2.gz GOOYHHFSPXYQNZ-QGZVFWFLSA-N 1 1 371.462 3.078 20 5 FGBDMO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000598559351 507486742 /nfs/dbraw/zinc/48/67/42/507486742.db2.gz FYKNSNMVYWAXHP-ZDUSSCGKSA-N 1 1 351.834 3.100 20 5 FGBDMO COC(=O)c1ccc2[nH]c(C[NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)nc2c1 ZINC000595418983 507487786 /nfs/dbraw/zinc/48/77/86/507487786.db2.gz HHCVKCYPHXKFAD-GFCCVEGCSA-N 1 1 368.393 3.417 20 5 FGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000595477143 507519523 /nfs/dbraw/zinc/51/95/23/507519523.db2.gz QXKWPYMEBFYHOA-KRWDZBQOSA-N 1 1 361.486 3.354 20 5 FGBDMO C[C@H](NC(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000595484332 507523724 /nfs/dbraw/zinc/52/37/24/507523724.db2.gz ZKQOVJMQNJTGNR-HNAYVOBHSA-N 1 1 368.437 3.230 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000611350231 507636648 /nfs/dbraw/zinc/63/66/48/507636648.db2.gz FRVCTGHOYZOQRA-OAGGEKHMSA-N 1 1 361.442 3.060 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H]2CCCC[C@@H]12 ZINC000595736594 507655302 /nfs/dbraw/zinc/65/53/02/507655302.db2.gz NBHNYDAAIRCBLF-UXLLHSPISA-N 1 1 350.390 3.288 20 5 FGBDMO COc1cc(C[N@H+](C)CC2=CCCOC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000595746689 507660398 /nfs/dbraw/zinc/66/03/98/507660398.db2.gz BDBVTZHIMAAAAW-UHFFFAOYSA-N 1 1 372.368 3.026 20 5 FGBDMO COc1cc(C[N@@H+](C)CC2=CCCOC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000595746689 507660406 /nfs/dbraw/zinc/66/04/06/507660406.db2.gz BDBVTZHIMAAAAW-UHFFFAOYSA-N 1 1 372.368 3.026 20 5 FGBDMO O=[N+]([O-])c1cc(F)c(C[NH+]2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)c(F)c1 ZINC000586760953 507662750 /nfs/dbraw/zinc/66/27/50/507662750.db2.gz YQQZYCPEQHEYBY-ZIAGYGMSSA-N 1 1 359.376 3.441 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CCF)C1 ZINC000595755729 507669486 /nfs/dbraw/zinc/66/94/86/507669486.db2.gz OZAPBUPTVNXMIK-OLZOCXBDSA-N 1 1 353.394 3.002 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CCF)C1 ZINC000595755729 507669491 /nfs/dbraw/zinc/66/94/91/507669491.db2.gz OZAPBUPTVNXMIK-OLZOCXBDSA-N 1 1 353.394 3.002 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000595779642 507680484 /nfs/dbraw/zinc/68/04/84/507680484.db2.gz DYJOKHDLPZPDSZ-MNOVXSKESA-N 1 1 360.357 3.204 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000595779642 507680488 /nfs/dbraw/zinc/68/04/88/507680488.db2.gz DYJOKHDLPZPDSZ-MNOVXSKESA-N 1 1 360.357 3.204 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000595788321 507685880 /nfs/dbraw/zinc/68/58/80/507685880.db2.gz IYMLSFDABFUSQQ-YJBOKZPZSA-N 1 1 361.442 3.123 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000595788321 507685887 /nfs/dbraw/zinc/68/58/87/507685887.db2.gz IYMLSFDABFUSQQ-YJBOKZPZSA-N 1 1 361.442 3.123 20 5 FGBDMO CC(=O)N(C)C1CC[NH+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602452852 507714966 /nfs/dbraw/zinc/71/49/66/507714966.db2.gz VZYXDAKQHNDVCJ-UHFFFAOYSA-N 1 1 359.348 3.056 20 5 FGBDMO O=[N+]([O-])c1cc2c(ncnc2N2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)s1 ZINC000588024728 507738432 /nfs/dbraw/zinc/73/84/32/507738432.db2.gz CFEZEGXXKIQBNK-LLVKDONJSA-N 1 1 370.438 3.126 20 5 FGBDMO O=C(c1ccccc1)c1ccc(N[C@H]2CCc3c[nH+]cn3C2)c([N+](=O)[O-])c1 ZINC000588067722 507750439 /nfs/dbraw/zinc/75/04/39/507750439.db2.gz LDBNCTSVTMYQHZ-INIZCTEOSA-N 1 1 362.389 3.449 20 5 FGBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@]3(CC=CCC3)C2)cc1 ZINC000181884782 568123387 /nfs/dbraw/zinc/12/33/87/568123387.db2.gz WCWUOIGYJFLVPT-SFHVURJKSA-N 1 1 364.467 3.191 20 5 FGBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@]3(CC=CCC3)C2)cc1 ZINC000181884782 568123388 /nfs/dbraw/zinc/12/33/88/568123388.db2.gz WCWUOIGYJFLVPT-SFHVURJKSA-N 1 1 364.467 3.191 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[N@H+](Cc1ccc(F)cc1-c1nn[nH]n1)C1CC1 ZINC000826500043 607524415 /nfs/dbraw/zinc/52/44/15/607524415.db2.gz JDAPPVWLFYPIOR-UHFFFAOYSA-N 1 1 368.372 3.079 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1ccc(F)cc1-c1nn[nH]n1)C1CC1 ZINC000826500043 607524416 /nfs/dbraw/zinc/52/44/16/607524416.db2.gz JDAPPVWLFYPIOR-UHFFFAOYSA-N 1 1 368.372 3.079 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[N@H+](Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CC1 ZINC000826500268 607524714 /nfs/dbraw/zinc/52/47/14/607524714.db2.gz RAIRWSAZFZUESE-UHFFFAOYSA-N 1 1 368.372 3.079 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CC1 ZINC000826500268 607524716 /nfs/dbraw/zinc/52/47/16/607524716.db2.gz RAIRWSAZFZUESE-UHFFFAOYSA-N 1 1 368.372 3.079 20 5 FGBDMO CC(C)(C)[S@@](=O)CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000116921480 700598019 /nfs/dbraw/zinc/59/80/19/700598019.db2.gz VXIRAHDJRJBUBC-XMMPIXPASA-N 1 1 367.496 3.355 20 5 FGBDMO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC(C)(C)CN1CCOCC1 ZINC000124313003 700718303 /nfs/dbraw/zinc/71/83/03/700718303.db2.gz RZTFWUMTBXPWNO-UHFFFAOYSA-N 1 1 355.866 3.038 20 5 FGBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000155201748 705067861 /nfs/dbraw/zinc/06/78/61/705067861.db2.gz NKSPSPVROQAPSF-JTQLQIEISA-N 1 1 373.251 3.209 20 5 FGBDMO CCC[N@@H+](C)C[C@@H]1CCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000173448455 705458959 /nfs/dbraw/zinc/45/89/59/705458959.db2.gz YLYIBDUVDPIZCY-ZDUSSCGKSA-N 1 1 364.471 3.493 20 5 FGBDMO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000174841068 705522291 /nfs/dbraw/zinc/52/22/91/705522291.db2.gz VUDRYRVOEPFJMX-ZDUSSCGKSA-N 1 1 353.850 3.377 20 5 FGBDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000174841068 705522297 /nfs/dbraw/zinc/52/22/97/705522297.db2.gz VUDRYRVOEPFJMX-ZDUSSCGKSA-N 1 1 353.850 3.377 20 5 FGBDMO Cc1cc(F)cc(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000176760103 705589678 /nfs/dbraw/zinc/58/96/78/705589678.db2.gz VOKHXKNXCZTQNU-CYBMUJFWSA-N 1 1 351.422 3.284 20 5 FGBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000247050666 713635187 /nfs/dbraw/zinc/63/51/87/713635187.db2.gz UGSMHOZFAPRBPL-JSGCOSHPSA-N 1 1 362.455 3.246 20 5 FGBDMO Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2Cc2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000374305882 713912117 /nfs/dbraw/zinc/91/21/17/713912117.db2.gz APSLIKWBJNWTFM-WMLDXEAASA-N 1 1 364.833 3.070 20 5 FGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)c(Cl)c1 ZINC000374666874 713938143 /nfs/dbraw/zinc/93/81/43/713938143.db2.gz XTTKZSHCCUKAAC-CYBMUJFWSA-N 1 1 354.834 3.266 20 5 FGBDMO Cc1nc(CO[C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)cs1 ZINC000374903440 713952579 /nfs/dbraw/zinc/95/25/79/713952579.db2.gz PDMNEBLWQUJCKZ-CQSZACIVSA-N 1 1 351.403 3.290 20 5 FGBDMO Cc1nc(CO[C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)cs1 ZINC000374903440 713952580 /nfs/dbraw/zinc/95/25/80/713952580.db2.gz PDMNEBLWQUJCKZ-CQSZACIVSA-N 1 1 351.403 3.290 20 5 FGBDMO COc1cc(CO[NH+]=C(N)CC2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000779953738 724437925 /nfs/dbraw/zinc/43/79/25/724437925.db2.gz GJXMFCWNTWEPFH-UHFFFAOYSA-N 1 1 359.329 3.046 20 5 FGBDMO O=[N+]([O-])c1cnc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c(F)c1 ZINC001164623691 719072205 /nfs/dbraw/zinc/07/22/05/719072205.db2.gz KONKKXIRIZYBTG-CRAIPNDOSA-N 1 1 356.401 3.230 20 5 FGBDMO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000782076390 724626249 /nfs/dbraw/zinc/62/62/49/724626249.db2.gz ZSMDEULCBWQLCX-AWEZNQCLSA-N 1 1 369.190 3.320 20 5 FGBDMO C[C@@H](C[N@@H+](C)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)c1nccs1 ZINC000784036710 724815481 /nfs/dbraw/zinc/81/54/81/724815481.db2.gz GGXRKNHDLJIOSD-LBPRGKRZSA-N 1 1 358.427 3.003 20 5 FGBDMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3F)sc2C1 ZINC000784142738 724825345 /nfs/dbraw/zinc/82/53/45/724825345.db2.gz JTHVJUYMHCOXLJ-UHFFFAOYSA-N 1 1 364.402 3.209 20 5 FGBDMO CC(C)[N@H+]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3F)sc2C1 ZINC000784142738 724825347 /nfs/dbraw/zinc/82/53/47/724825347.db2.gz JTHVJUYMHCOXLJ-UHFFFAOYSA-N 1 1 364.402 3.209 20 5 FGBDMO O=[N+]([O-])c1cccc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164995057 722195040 /nfs/dbraw/zinc/19/50/40/722195040.db2.gz RPGIKNSRKVDZEZ-LJQANCHMSA-N 1 1 356.401 3.374 20 5 FGBDMO O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000715593755 722415954 /nfs/dbraw/zinc/41/59/54/722415954.db2.gz GRRBFCHMKBGWRD-OAHLLOKOSA-N 1 1 359.813 3.253 20 5 FGBDMO O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000715593755 722415956 /nfs/dbraw/zinc/41/59/56/722415956.db2.gz GRRBFCHMKBGWRD-OAHLLOKOSA-N 1 1 359.813 3.253 20 5 FGBDMO C[N@@H+]1CCN(C(=O)CSc2ccccc2[N+](=O)[O-])c2ccccc2C1 ZINC000728877963 722454974 /nfs/dbraw/zinc/45/49/74/722454974.db2.gz UGPCYQVJOMANSI-UHFFFAOYSA-N 1 1 357.435 3.166 20 5 FGBDMO C[N@H+]1CCN(C(=O)CSc2ccccc2[N+](=O)[O-])c2ccccc2C1 ZINC000728877963 722454975 /nfs/dbraw/zinc/45/49/75/722454975.db2.gz UGPCYQVJOMANSI-UHFFFAOYSA-N 1 1 357.435 3.166 20 5 FGBDMO CCS[C@@H]1CC[C@@H]([N@H+](C)Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000743401365 722567006 /nfs/dbraw/zinc/56/70/06/722567006.db2.gz YRPXYVRHODHYMH-NXEZZACHSA-N 1 1 363.281 3.117 20 5 FGBDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000743401365 722567007 /nfs/dbraw/zinc/56/70/07/722567007.db2.gz YRPXYVRHODHYMH-NXEZZACHSA-N 1 1 363.281 3.117 20 5 FGBDMO Cc1noc(C)c1[C@H](C)[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000754165301 722930362 /nfs/dbraw/zinc/93/03/62/722930362.db2.gz YLQREEPIYQYNGS-QMMMGPOBSA-N 1 1 352.778 3.142 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1COC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC000754873910 722947350 /nfs/dbraw/zinc/94/73/50/722947350.db2.gz XBBZOGVSKFBOAT-UHFFFAOYSA-N 1 1 350.415 3.300 20 5 FGBDMO C[C@@H]1[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CCC12CCOCC2 ZINC000758292625 722987740 /nfs/dbraw/zinc/98/77/40/722987740.db2.gz WNNKOJSYYTXDPZ-LBPRGKRZSA-N 1 1 364.833 3.446 20 5 FGBDMO COC(=O)c1cc([N+](=O)[O-])c(NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc1Cl ZINC000765527808 723521143 /nfs/dbraw/zinc/52/11/43/723521143.db2.gz QUONZSOIKXKVOV-LBPRGKRZSA-N 1 1 369.849 3.425 20 5 FGBDMO C[N@H+](CCC1CC1)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795436828 723591281 /nfs/dbraw/zinc/59/12/81/723591281.db2.gz HGMINQPHTFREJS-UHFFFAOYSA-N 1 1 368.231 3.003 20 5 FGBDMO C[N@@H+](CCC1CC1)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795436828 723591282 /nfs/dbraw/zinc/59/12/82/723591282.db2.gz HGMINQPHTFREJS-UHFFFAOYSA-N 1 1 368.231 3.003 20 5 FGBDMO C[S@@](=O)Cc1ccc(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000796525377 723641577 /nfs/dbraw/zinc/64/15/77/723641577.db2.gz CLCFQIBPBXGTGB-HSZRJFAPSA-N 1 1 352.843 3.417 20 5 FGBDMO C[C@@H]1C[C@H](N(C)Cc2c(Br)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000769485374 723687059 /nfs/dbraw/zinc/68/70/59/723687059.db2.gz OUJCBCAMPQEAPJ-VXGBXAGGSA-N 1 1 356.264 3.272 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)ccc1Br ZINC000770285153 723710316 /nfs/dbraw/zinc/71/03/16/723710316.db2.gz BGXXFPUIYZTYEJ-TZMCWYRMSA-N 1 1 355.232 3.358 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)ccc1Br ZINC000770285153 723710318 /nfs/dbraw/zinc/71/03/18/723710318.db2.gz BGXXFPUIYZTYEJ-TZMCWYRMSA-N 1 1 355.232 3.358 20 5 FGBDMO C[N@H+]1CCC[C@@H]2CN(Cc3c(Br)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000770349972 723711631 /nfs/dbraw/zinc/71/16/31/723711631.db2.gz CPMDFLMCDZCEBN-IUODEOHRSA-N 1 1 368.275 3.273 20 5 FGBDMO C[N@H+]1CCC[C@@H](N2CCN(c3c(Cl)cc([N+](=O)[O-])cc3Cl)CC2)C1 ZINC000772064172 723750011 /nfs/dbraw/zinc/75/00/11/723750011.db2.gz KRQAVWLDUAYHKI-GFCCVEGCSA-N 1 1 373.284 3.118 20 5 FGBDMO CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000798964043 723980862 /nfs/dbraw/zinc/98/08/62/723980862.db2.gz MDPIFEJKMRYOQK-KRWDZBQOSA-N 1 1 370.833 3.040 20 5 FGBDMO CCOC(=O)[C@@]1(COC)CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000798964043 723980863 /nfs/dbraw/zinc/98/08/63/723980863.db2.gz MDPIFEJKMRYOQK-KRWDZBQOSA-N 1 1 370.833 3.040 20 5 FGBDMO C[N@@H+](CCOc1cccc(Cl)c1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776276515 724127466 /nfs/dbraw/zinc/12/74/66/724127466.db2.gz NNDSAZFNAAHYKK-KRWDZBQOSA-N 1 1 350.802 3.292 20 5 FGBDMO Cc1nn(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c(C)c1Br ZINC000800866113 724240011 /nfs/dbraw/zinc/24/00/11/724240011.db2.gz SLDGLDRITZKUFA-UHFFFAOYSA-N 1 1 367.247 3.303 20 5 FGBDMO Cc1nn(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c(C)c1Br ZINC000800866113 724240012 /nfs/dbraw/zinc/24/00/12/724240012.db2.gz SLDGLDRITZKUFA-UHFFFAOYSA-N 1 1 367.247 3.303 20 5 FGBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778276528 724317723 /nfs/dbraw/zinc/31/77/23/724317723.db2.gz SVXKQBIQQANVBC-AWEZNQCLSA-N 1 1 355.385 3.067 20 5 FGBDMO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CCC[C@@H]3[C@@H]3CCCO3)c2c(Cl)c1 ZINC000789509142 725132975 /nfs/dbraw/zinc/13/29/75/725132975.db2.gz SZAYQDVKUUFYRZ-CABCVRRESA-N 1 1 350.806 3.199 20 5 FGBDMO O=[N+]([O-])c1cc2cnn(C[N@H+]3CCC[C@@H]3[C@@H]3CCCO3)c2c(Cl)c1 ZINC000789509142 725132977 /nfs/dbraw/zinc/13/29/77/725132977.db2.gz SZAYQDVKUUFYRZ-CABCVRRESA-N 1 1 350.806 3.199 20 5 FGBDMO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000809696271 725259571 /nfs/dbraw/zinc/25/95/71/725259571.db2.gz GHIOAQOXKKXKCU-ZDTYVGOBSA-N 1 1 358.316 3.035 20 5 FGBDMO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000809696271 725259572 /nfs/dbraw/zinc/25/95/72/725259572.db2.gz GHIOAQOXKKXKCU-ZDTYVGOBSA-N 1 1 358.316 3.035 20 5 FGBDMO Cn1ccnc1[C@H]1CC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000809757868 725265765 /nfs/dbraw/zinc/26/57/65/725265765.db2.gz VCQHBAWPRPYSRL-NSHDSACASA-N 1 1 365.231 3.080 20 5 FGBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809911331 725275568 /nfs/dbraw/zinc/27/55/68/725275568.db2.gz LREUXNLIPGGCCV-VXGBXAGGSA-N 1 1 354.838 3.490 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000810508320 725311539 /nfs/dbraw/zinc/31/15/39/725311539.db2.gz BNIDFFSMNSJVLA-MRXNPFEDSA-N 1 1 357.813 3.077 20 5 FGBDMO O=C(O[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000810836876 725330025 /nfs/dbraw/zinc/33/00/25/725330025.db2.gz CVTKSRFRHJVFSI-JSGCOSHPSA-N 1 1 358.316 3.397 20 5 FGBDMO O=C(C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])NC1CCCCC1 ZINC000811478653 725368276 /nfs/dbraw/zinc/36/82/76/725368276.db2.gz USVREGGIZLHZPX-UHFFFAOYSA-N 1 1 360.241 3.440 20 5 FGBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000811969687 725386240 /nfs/dbraw/zinc/38/62/40/725386240.db2.gz HFCRADXOKNGSNJ-NSHDSACASA-N 1 1 359.829 3.166 20 5 FGBDMO C[N@H+]1CCC[C@@]2(CCN(c3cc(Br)ccc3[N+](=O)[O-])C2)C1 ZINC000814909664 727010395 /nfs/dbraw/zinc/01/03/95/727010395.db2.gz MDBZWYDSYNANPU-OAHLLOKOSA-N 1 1 354.248 3.279 20 5 FGBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH+]2CCC(c3nnc[nH]3)CC2)c1 ZINC000815059852 727029231 /nfs/dbraw/zinc/02/92/31/727029231.db2.gz INUKFFZJICSONG-UHFFFAOYSA-N 1 1 355.320 3.111 20 5 FGBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000822097222 729147184 /nfs/dbraw/zinc/14/71/84/729147184.db2.gz PLLNVBHTKQLUIP-MRXNPFEDSA-N 1 1 357.435 3.103 20 5 FGBDMO CC(C)[N@H+]1CC[C@@H](N(C)Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000825332347 729379094 /nfs/dbraw/zinc/37/90/94/729379094.db2.gz VZHPUGFGPILGRH-GFCCVEGCSA-N 1 1 356.264 3.272 20 5 FGBDMO C[N@@H+]1CC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000827491764 729430862 /nfs/dbraw/zinc/43/08/62/729430862.db2.gz PZLVSBVSXQJKMX-HOCLYGCPSA-N 1 1 353.850 3.037 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000827491764 729430863 /nfs/dbraw/zinc/43/08/63/729430863.db2.gz PZLVSBVSXQJKMX-HOCLYGCPSA-N 1 1 353.850 3.037 20 5 FGBDMO O=C(O[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000835395774 729885590 /nfs/dbraw/zinc/88/55/90/729885590.db2.gz ITKCWZDUHPCYEZ-NEPJUHHUSA-N 1 1 358.316 3.397 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1Cl ZINC000836376645 729953660 /nfs/dbraw/zinc/95/36/60/729953660.db2.gz HNWOZVFFLDPLRE-WCQYABFASA-N 1 1 353.850 3.407 20 5 FGBDMO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CC[C@@H](c4cccnc4)C3)c2c(Cl)c1 ZINC000842628142 730521912 /nfs/dbraw/zinc/52/19/12/730521912.db2.gz NZSVVGJUYJRXSI-CYBMUJFWSA-N 1 1 357.801 3.440 20 5 FGBDMO O=[N+]([O-])c1cc2cnn(C[N@H+]3CC[C@@H](c4cccnc4)C3)c2c(Cl)c1 ZINC000842628142 730521914 /nfs/dbraw/zinc/52/19/14/730521914.db2.gz NZSVVGJUYJRXSI-CYBMUJFWSA-N 1 1 357.801 3.440 20 5 FGBDMO CC(C)C[N@@H+](C)CCCNC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000844656608 730747005 /nfs/dbraw/zinc/74/70/05/730747005.db2.gz WGAPUSBUNXBUCC-UHFFFAOYSA-N 1 1 372.263 3.065 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]CCC1SCCS1)c1cccc([N+](=O)[O-])c1 ZINC000850568880 731374205 /nfs/dbraw/zinc/37/42/05/731374205.db2.gz MIABBLKIQRRHKE-HNNXBMFYSA-N 1 1 364.496 3.204 20 5 FGBDMO CO[C@H]1CC[C@@H]([N@@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 ZINC000852023130 731534471 /nfs/dbraw/zinc/53/44/71/731534471.db2.gz WKNZKHKVESZDCQ-MNOVXSKESA-N 1 1 355.232 3.283 20 5 FGBDMO CO[C@H]1CC[C@@H]([N@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 ZINC000852023130 731534477 /nfs/dbraw/zinc/53/44/77/731534477.db2.gz WKNZKHKVESZDCQ-MNOVXSKESA-N 1 1 355.232 3.283 20 5 FGBDMO Cn1cc[nH+]c1[C@H]1CCCN(c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000853541413 731720404 /nfs/dbraw/zinc/72/04/04/731720404.db2.gz QEOYSCOYHKWFDQ-NSHDSACASA-N 1 1 365.231 3.475 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000854184731 731802518 /nfs/dbraw/zinc/80/25/18/731802518.db2.gz HWPBLYJLAUAASG-NSHDSACASA-N 1 1 354.838 3.490 20 5 FGBDMO Cc1cc(Cl)c(C(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000854735009 731857794 /nfs/dbraw/zinc/85/77/94/731857794.db2.gz HYVAQFACTBRQFX-KRWDZBQOSA-N 1 1 351.834 3.115 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)cc1Cl ZINC000855162717 731903746 /nfs/dbraw/zinc/90/37/46/731903746.db2.gz LZJZVIJDIXQKBL-GFCCVEGCSA-N 1 1 353.850 3.407 20 5 FGBDMO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H]2CCC[C@H]21 ZINC000859950153 732421272 /nfs/dbraw/zinc/42/12/72/732421272.db2.gz ACNMVNVSRNLVJL-SQWLQELKSA-N 1 1 352.818 3.412 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H]2CCC[C@H]21 ZINC000859950153 732421275 /nfs/dbraw/zinc/42/12/75/732421275.db2.gz ACNMVNVSRNLVJL-SQWLQELKSA-N 1 1 352.818 3.412 20 5 FGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865452785 733204260 /nfs/dbraw/zinc/20/42/60/733204260.db2.gz YBUFROSQNVLJDS-VNHYZAJKSA-N 1 1 351.422 3.068 20 5 FGBDMO C[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872040391 735580702 /nfs/dbraw/zinc/58/07/02/735580702.db2.gz LGUYBWZZDLHJGB-GFCCVEGCSA-N 1 1 366.414 3.129 20 5 FGBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000872088852 735586765 /nfs/dbraw/zinc/58/67/65/735586765.db2.gz RNUFCPVVKBANDT-CZUORRHYSA-N 1 1 365.499 3.221 20 5 FGBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000874827062 735935188 /nfs/dbraw/zinc/93/51/88/735935188.db2.gz BPCKWHJIXZBXCZ-OLZOCXBDSA-N 1 1 358.225 3.210 20 5 FGBDMO CC(C)(O)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000879628046 737018704 /nfs/dbraw/zinc/01/87/04/737018704.db2.gz ATPOPNCEJULYSA-UHFFFAOYSA-N 1 1 357.248 3.340 20 5 FGBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000888286268 739496627 /nfs/dbraw/zinc/49/66/27/739496627.db2.gz HXGIUCNBSQBASP-NEPJUHHUSA-N 1 1 352.822 3.257 20 5 FGBDMO COc1c(O)ccc(C[NH+]2CCC(Cc3nccs3)CC2)c1[N+](=O)[O-] ZINC000895735279 742449161 /nfs/dbraw/zinc/44/91/61/742449161.db2.gz CNSZRTBDLARCQT-UHFFFAOYSA-N 1 1 363.439 3.220 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCCn4nncc4C3)s2)cc1 ZINC000895756455 742450794 /nfs/dbraw/zinc/45/07/94/742450794.db2.gz JFHODCIOJGRARM-UHFFFAOYSA-N 1 1 355.423 3.321 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCCn4nncc4C3)s2)cc1 ZINC000895756455 742450798 /nfs/dbraw/zinc/45/07/98/742450798.db2.gz JFHODCIOJGRARM-UHFFFAOYSA-N 1 1 355.423 3.321 20 5 FGBDMO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@H+]2C2CCOCC2)cc1C(F)(F)F ZINC000896517579 742560884 /nfs/dbraw/zinc/56/08/84/742560884.db2.gz YSMGWMYTWMXDEZ-ZDUSSCGKSA-N 1 1 359.348 3.279 20 5 FGBDMO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@H+]2C2CCOCC2)c(C(F)(F)F)c1 ZINC000896518065 742561052 /nfs/dbraw/zinc/56/10/52/742561052.db2.gz LHISJZJHWITYON-CYBMUJFWSA-N 1 1 359.348 3.279 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000900817070 743174613 /nfs/dbraw/zinc/17/46/13/743174613.db2.gz DNDZRFFEGBOHRQ-GXFFZTMASA-N 1 1 357.813 3.190 20 5 FGBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000919899116 758486316 /nfs/dbraw/zinc/48/63/16/758486316.db2.gz GDPZEZHBIHACHX-RYUDHWBXSA-N 1 1 354.838 3.490 20 5 FGBDMO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@@H]2Cc2ccc(Br)cc2)c1 ZINC000920758251 758596576 /nfs/dbraw/zinc/59/65/76/758596576.db2.gz PFZXJNJWSJESKK-CQSZACIVSA-N 1 1 365.231 3.218 20 5 FGBDMO COC(=O)c1cnc([C@@H]2CC[N@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)s1 ZINC000932669682 761214431 /nfs/dbraw/zinc/21/44/31/761214431.db2.gz PTTYPELSJRRDOD-NWDGAFQWSA-N 1 1 361.423 3.388 20 5 FGBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000579853211 505633497 /nfs/dbraw/zinc/63/34/97/505633497.db2.gz GYULTSMHNSPXLV-CQSZACIVSA-N 1 1 368.453 3.103 20 5 FGBDMO CC(C)[C@H](c1ccccc1Cl)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075742907 493774242 /nfs/dbraw/zinc/77/42/42/493774242.db2.gz DIKVAYHIEHFEHE-WMLDXEAASA-N 1 1 366.849 3.135 20 5 FGBDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)nc1 ZINC000080927179 493793099 /nfs/dbraw/zinc/79/30/99/493793099.db2.gz VKEWZXSYVVDCAE-QGZVFWFLSA-N 1 1 368.437 3.191 20 5 FGBDMO CC[C@H](CNC(=O)c1cccc(C)c1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000029908040 493866788 /nfs/dbraw/zinc/86/67/88/493866788.db2.gz MZNDXACVTSBEIU-GOSISDBHSA-N 1 1 367.449 3.470 20 5 FGBDMO Cc1sc(C(=O)N2CC[NH+](CC3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000050008698 493890788 /nfs/dbraw/zinc/89/07/88/493890788.db2.gz OUVQBMVAVDKFLQ-UHFFFAOYSA-N 1 1 351.472 3.303 20 5 FGBDMO CCN(C[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1)CC(F)(F)F ZINC000081558520 493916147 /nfs/dbraw/zinc/91/61/47/493916147.db2.gz HXXVSQQZDNVYHQ-LLVKDONJSA-N 1 1 351.394 3.362 20 5 FGBDMO CCN(C[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1)CC(F)(F)F ZINC000081558520 493916150 /nfs/dbraw/zinc/91/61/50/493916150.db2.gz HXXVSQQZDNVYHQ-LLVKDONJSA-N 1 1 351.394 3.362 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCN(C)c2ccccc2C1 ZINC000069090998 493919580 /nfs/dbraw/zinc/91/95/80/493919580.db2.gz UANMDBDZKFENRC-UHFFFAOYSA-N 1 1 368.437 3.184 20 5 FGBDMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000051855670 493990445 /nfs/dbraw/zinc/99/04/45/493990445.db2.gz JYIWOYJRXDOXKL-OAHLLOKOSA-N 1 1 367.409 3.247 20 5 FGBDMO Cc1[nH]c2ccccc2c1C1=CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000083202024 494006240 /nfs/dbraw/zinc/00/62/40/494006240.db2.gz YYVYSUOUWKUGDU-UHFFFAOYSA-N 1 1 351.410 3.370 20 5 FGBDMO COc1ccc([C@@H]2CCC[N@H+]2C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000032768904 494014595 /nfs/dbraw/zinc/01/45/95/494014595.db2.gz JBNJDFVYSPSZSR-XLIONFOSSA-N 1 1 372.421 3.180 20 5 FGBDMO Cc1c(C[N@@H+](C)Cc2ccc(C(=O)NC3CC3)cc2)cccc1[N+](=O)[O-] ZINC000052561161 494041014 /nfs/dbraw/zinc/04/10/14/494041014.db2.gz XHMPEPKJGYBBSJ-UHFFFAOYSA-N 1 1 353.422 3.427 20 5 FGBDMO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000077383392 494072266 /nfs/dbraw/zinc/07/22/66/494072266.db2.gz XCRRTAPMZHVXCS-UHFFFAOYSA-N 1 1 371.437 3.327 20 5 FGBDMO COc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000010447052 494154422 /nfs/dbraw/zinc/15/44/22/494154422.db2.gz VZYWGKGCOIFNDV-MRXNPFEDSA-N 1 1 373.409 3.153 20 5 FGBDMO O=C(C[N@@H+]1CCC[C@H]1c1cccc(F)c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000053718465 494160964 /nfs/dbraw/zinc/16/09/64/494160964.db2.gz ONPFBDCWDGSQLF-SFHVURJKSA-N 1 1 369.396 3.460 20 5 FGBDMO O=C(C[N@H+]1CCC[C@H]1c1cccc(F)c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000053718465 494160965 /nfs/dbraw/zinc/16/09/65/494160965.db2.gz ONPFBDCWDGSQLF-SFHVURJKSA-N 1 1 369.396 3.460 20 5 FGBDMO O=C(c1ccsc1)N1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000054364266 494225034 /nfs/dbraw/zinc/22/50/34/494225034.db2.gz RXBJGJJYWQYPCV-UHFFFAOYSA-N 1 1 359.451 3.047 20 5 FGBDMO CC(C)Oc1ccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000072665216 494229167 /nfs/dbraw/zinc/22/91/67/494229167.db2.gz XFBBRYXGVVGQIH-INIZCTEOSA-N 1 1 356.426 3.463 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)N(C)CC[C@@H]2CCCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000072725386 494241385 /nfs/dbraw/zinc/24/13/85/494241385.db2.gz MMQZLLMWONRXSY-CVEARBPZSA-N 1 1 362.474 3.036 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@H](Nc3ncc([N+](=O)[O-])cc3C)C2)cc(OC)c1 ZINC000088751333 494257293 /nfs/dbraw/zinc/25/72/93/494257293.db2.gz GLYVOESOYIXAJO-HNNXBMFYSA-N 1 1 372.425 3.002 20 5 FGBDMO CCS[C@H]1CC[C@H]([N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000072838231 494261633 /nfs/dbraw/zinc/26/16/33/494261633.db2.gz VXRCTYNWYSMGSF-ZFWWWQNUSA-N 1 1 351.472 3.448 20 5 FGBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000054805772 494272908 /nfs/dbraw/zinc/27/29/08/494272908.db2.gz PYGAMLQVNZWIKL-HNNXBMFYSA-N 1 1 362.474 3.247 20 5 FGBDMO COc1ccccc1[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1C)[NH+](C)C ZINC000043348033 494290254 /nfs/dbraw/zinc/29/02/54/494290254.db2.gz QHTXQCZWTXVJSP-QGZVFWFLSA-N 1 1 372.425 3.336 20 5 FGBDMO COc1ccc(F)cc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000055152543 494306852 /nfs/dbraw/zinc/30/68/52/494306852.db2.gz ZDYNAFBGHULSHY-VXGBXAGGSA-N 1 1 361.373 3.420 20 5 FGBDMO COc1ccc(F)cc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000055152562 494307081 /nfs/dbraw/zinc/30/70/81/494307081.db2.gz OCCBELRIWSYTKY-NWDGAFQWSA-N 1 1 361.373 3.420 20 5 FGBDMO Cc1cccc(OCC[N@@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000015100208 494338849 /nfs/dbraw/zinc/33/88/49/494338849.db2.gz FCWBJFLLEKUVPL-HNNXBMFYSA-N 1 1 357.410 3.241 20 5 FGBDMO Cc1cccc(OCC[N@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000015100208 494338853 /nfs/dbraw/zinc/33/88/53/494338853.db2.gz FCWBJFLLEKUVPL-HNNXBMFYSA-N 1 1 357.410 3.241 20 5 FGBDMO C[NH+](C)[C@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1Cl ZINC000015130405 494341425 /nfs/dbraw/zinc/34/14/25/494341425.db2.gz DVOOUQLMORUAIN-MRXNPFEDSA-N 1 1 362.817 3.062 20 5 FGBDMO CC(C)(C)[C@H]1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000078759604 494356488 /nfs/dbraw/zinc/35/64/88/494356488.db2.gz FOJQCMWLBWHXCN-RDJZCZTQSA-N 1 1 350.459 3.483 20 5 FGBDMO C[C@H](C1CC1)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000073778930 494427860 /nfs/dbraw/zinc/42/78/60/494427860.db2.gz MKBPXDUUFZWMNN-SECBINFHSA-N 1 1 356.220 3.026 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000045948192 494478026 /nfs/dbraw/zinc/47/80/26/494478026.db2.gz MTSUOGFQBQEGCF-AWEZNQCLSA-N 1 1 364.446 3.237 20 5 FGBDMO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[NH+](CCc2cccs2)CC1 ZINC000056515180 494517754 /nfs/dbraw/zinc/51/77/54/494517754.db2.gz CGIJVYSQUPEOGK-UHFFFAOYSA-N 1 1 360.439 3.049 20 5 FGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000023236268 494557847 /nfs/dbraw/zinc/55/78/47/494557847.db2.gz DBJVTYRHGLMAPN-DOMZBBRYSA-N 1 1 363.439 3.088 20 5 FGBDMO Cc1cc(NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)ncc1[N+](=O)[O-] ZINC000074743164 494588548 /nfs/dbraw/zinc/58/85/48/494588548.db2.gz BMUXBFCAELUCOJ-HNNXBMFYSA-N 1 1 356.426 3.131 20 5 FGBDMO Cc1cc(NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)ncc1[N+](=O)[O-] ZINC000074743164 494588555 /nfs/dbraw/zinc/58/85/55/494588555.db2.gz BMUXBFCAELUCOJ-HNNXBMFYSA-N 1 1 356.426 3.131 20 5 FGBDMO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000131396097 494604183 /nfs/dbraw/zinc/60/41/83/494604183.db2.gz HGPVMICGFQKJGL-IBGZPJMESA-N 1 1 356.422 3.010 20 5 FGBDMO Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000131396097 494604188 /nfs/dbraw/zinc/60/41/88/494604188.db2.gz HGPVMICGFQKJGL-IBGZPJMESA-N 1 1 356.422 3.010 20 5 FGBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000047187784 494651149 /nfs/dbraw/zinc/65/11/49/494651149.db2.gz VWRPKXVCJKURQX-ZDUSSCGKSA-N 1 1 353.850 3.490 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000047416063 494700843 /nfs/dbraw/zinc/70/08/43/494700843.db2.gz FFXGPKQRKCITSC-BETUJISGSA-N 1 1 353.850 3.346 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](O)C3)o2)c(Br)c1 ZINC000126335013 494714446 /nfs/dbraw/zinc/71/44/46/494714446.db2.gz XXECGOKRVIROJM-LLVKDONJSA-N 1 1 367.199 3.184 20 5 FGBDMO CC(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000025536003 494755333 /nfs/dbraw/zinc/75/53/33/494755333.db2.gz MNTVBNJFGRSTFE-HXUWFJFHSA-N 1 1 367.449 3.408 20 5 FGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(n2cccn2)CC1 ZINC000109007798 494821102 /nfs/dbraw/zinc/82/11/02/494821102.db2.gz QOSVZFFCWUICQI-ZDUSSCGKSA-N 1 1 368.397 3.239 20 5 FGBDMO C[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1Cl ZINC000026364279 494821484 /nfs/dbraw/zinc/82/14/84/494821484.db2.gz SUVIPSFBWDIBJC-LBPRGKRZSA-N 1 1 359.813 3.488 20 5 FGBDMO Cc1cccc(N2CCC(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)[nH+]1 ZINC000116668971 494835185 /nfs/dbraw/zinc/83/51/85/494835185.db2.gz VJARBWLOYYUPGA-UHFFFAOYSA-N 1 1 354.410 3.005 20 5 FGBDMO COc1cc(C[N@H+](C)[C@H]2CCOC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000132186318 494835815 /nfs/dbraw/zinc/83/58/15/494835815.db2.gz FTLWJCLZEXOJRC-KRWDZBQOSA-N 1 1 372.421 3.403 20 5 FGBDMO COc1cc(C[N@@H+](C)[C@H]2CCOC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000132186318 494835822 /nfs/dbraw/zinc/83/58/22/494835822.db2.gz FTLWJCLZEXOJRC-KRWDZBQOSA-N 1 1 372.421 3.403 20 5 FGBDMO O=C1[C@H]([N@H+]2CC[C@@H](c3ccccc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000109131426 494836751 /nfs/dbraw/zinc/83/67/51/494836751.db2.gz GHSNFMMQKCCLGH-VQIMIIECSA-N 1 1 351.406 3.190 20 5 FGBDMO CCc1ccc(C2=CC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)cc1 ZINC000093262863 494854567 /nfs/dbraw/zinc/85/45/67/494854567.db2.gz JBBNHGUURKGVDM-UHFFFAOYSA-N 1 1 353.422 3.108 20 5 FGBDMO COc1ccc(C[NH2+]Cc2cc3c(cc2OC)C[C@H](C)O3)cc1[N+](=O)[O-] ZINC000126884964 494855229 /nfs/dbraw/zinc/85/52/29/494855229.db2.gz FHXFXYRQYDMFBR-LBPRGKRZSA-N 1 1 358.394 3.225 20 5 FGBDMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000121782109 494858919 /nfs/dbraw/zinc/85/89/19/494858919.db2.gz GSNUSAZHTHUDHS-INIZCTEOSA-N 1 1 372.469 3.286 20 5 FGBDMO C[C@H](CCO)[N@H+](Cc1ccccc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000093311388 494865703 /nfs/dbraw/zinc/86/57/03/494865703.db2.gz UJWYQDPWGWSIST-OAHLLOKOSA-N 1 1 372.421 3.234 20 5 FGBDMO C[C@H](CCO)[N@@H+](Cc1ccccc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000093311388 494865706 /nfs/dbraw/zinc/86/57/06/494865706.db2.gz UJWYQDPWGWSIST-OAHLLOKOSA-N 1 1 372.421 3.234 20 5 FGBDMO Cc1cccc(OCC[N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000027374224 494866224 /nfs/dbraw/zinc/86/62/24/494866224.db2.gz FJLKWNVKKKSBIR-UHFFFAOYSA-N 1 1 368.393 3.464 20 5 FGBDMO Cc1cccc(OCC[N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000027374224 494866228 /nfs/dbraw/zinc/86/62/28/494866228.db2.gz FJLKWNVKKKSBIR-UHFFFAOYSA-N 1 1 368.393 3.464 20 5 FGBDMO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])s1 ZINC000027604819 494876774 /nfs/dbraw/zinc/87/67/74/494876774.db2.gz MGDGRXUFWNWPIT-LLVKDONJSA-N 1 1 351.453 3.285 20 5 FGBDMO C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[N@H+]1C ZINC000132540558 494890020 /nfs/dbraw/zinc/89/00/20/494890020.db2.gz ILXFMHOHEGKBFN-GWCFXTLKSA-N 1 1 359.348 3.168 20 5 FGBDMO CN(CC[C@@H]1CCCC[N@H+]1C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000093659892 494908933 /nfs/dbraw/zinc/90/89/33/494908933.db2.gz YQMZOUSJRACIDH-SFHVURJKSA-N 1 1 371.485 3.302 20 5 FGBDMO C[C@H](c1cccc(O)c1)[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117340792 494912059 /nfs/dbraw/zinc/91/20/59/494912059.db2.gz WDFWTLNIIFYVHK-CYBMUJFWSA-N 1 1 371.393 3.291 20 5 FGBDMO COCCOC[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000093754796 494917886 /nfs/dbraw/zinc/91/78/86/494917886.db2.gz QYTUZQNLIGQKRE-HNNXBMFYSA-N 1 1 360.410 3.340 20 5 FGBDMO C[C@H]1C[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)C[N@H+]1Cc1ccccc1 ZINC000127323937 494928037 /nfs/dbraw/zinc/92/80/37/494928037.db2.gz FZWATVZIXJDFGY-MAUKXSAKSA-N 1 1 368.437 3.057 20 5 FGBDMO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000118942301 495054630 /nfs/dbraw/zinc/05/46/30/495054630.db2.gz YSMBEVJVBXCUCV-CYBMUJFWSA-N 1 1 353.850 3.377 20 5 FGBDMO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000118942301 495054632 /nfs/dbraw/zinc/05/46/32/495054632.db2.gz YSMBEVJVBXCUCV-CYBMUJFWSA-N 1 1 353.850 3.377 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCc2ccc(F)cc2C1 ZINC000133970486 495088195 /nfs/dbraw/zinc/08/81/95/495088195.db2.gz ARSFRQAJWXYGSH-UHFFFAOYSA-N 1 1 357.385 3.429 20 5 FGBDMO Cc1c(C[N@@H+]2CCCN(C(=O)c3ccccc3F)CC2)cccc1[N+](=O)[O-] ZINC000134015375 495094029 /nfs/dbraw/zinc/09/40/29/495094029.db2.gz UHYYVUAKXJGIGI-UHFFFAOYSA-N 1 1 371.412 3.390 20 5 FGBDMO Cc1c(C[N@H+]2CCCN(C(=O)c3ccccc3F)CC2)cccc1[N+](=O)[O-] ZINC000134015375 495094033 /nfs/dbraw/zinc/09/40/33/495094033.db2.gz UHYYVUAKXJGIGI-UHFFFAOYSA-N 1 1 371.412 3.390 20 5 FGBDMO C[C@@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000134246724 495126838 /nfs/dbraw/zinc/12/68/38/495126838.db2.gz QKNMETOSFXGYCW-ORAYPTAESA-N 1 1 370.405 3.285 20 5 FGBDMO C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000134246724 495126844 /nfs/dbraw/zinc/12/68/44/495126844.db2.gz QKNMETOSFXGYCW-ORAYPTAESA-N 1 1 370.405 3.285 20 5 FGBDMO CCc1ccc(-c2nc([C@@H]3C[N@H+]4CCC[C@@]4(C)CO3)no2)cc1[N+](=O)[O-] ZINC000568736554 505765918 /nfs/dbraw/zinc/76/59/18/505765918.db2.gz SHIPAHNQUPZDBV-YJBOKZPZSA-N 1 1 358.398 3.133 20 5 FGBDMO C[C@H]1C[C@@H]([N@@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCN1C ZINC000123922771 495207923 /nfs/dbraw/zinc/20/79/23/495207923.db2.gz SALLDUSPIHDWCV-HOCLYGCPSA-N 1 1 358.442 3.207 20 5 FGBDMO C[C@H]1C[C@@H](N(C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[N@@H+]1C ZINC000123922771 495207924 /nfs/dbraw/zinc/20/79/24/495207924.db2.gz SALLDUSPIHDWCV-HOCLYGCPSA-N 1 1 358.442 3.207 20 5 FGBDMO C[C@H]1C[C@@H](N(C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[N@H+]1C ZINC000123922771 495207925 /nfs/dbraw/zinc/20/79/25/495207925.db2.gz SALLDUSPIHDWCV-HOCLYGCPSA-N 1 1 358.442 3.207 20 5 FGBDMO CC(C)[C@H](CO)[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000112659108 495218187 /nfs/dbraw/zinc/21/81/87/495218187.db2.gz QUGRYBXUIPFVKI-IBGZPJMESA-N 1 1 371.437 3.052 20 5 FGBDMO C[C@H]1C[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000134946882 495228803 /nfs/dbraw/zinc/22/88/03/495228803.db2.gz ZUDZXGHCMMQKOY-QFBILLFUSA-N 1 1 367.449 3.307 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000120140468 495314481 /nfs/dbraw/zinc/31/44/81/495314481.db2.gz XTPWFLIDXDZFME-UAGQMJEPSA-N 1 1 360.458 3.090 20 5 FGBDMO C[N@H+](Cc1ccccc1)C[C@H](O)COc1ccc([N+](=O)[O-])cc1Cl ZINC000120229036 495331934 /nfs/dbraw/zinc/33/19/34/495331934.db2.gz MHTHIIJKCUJJIA-HNNXBMFYSA-N 1 1 350.802 3.120 20 5 FGBDMO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccco1 ZINC000124852930 495354105 /nfs/dbraw/zinc/35/41/05/495354105.db2.gz VOOGYLFLZNRZOY-ZDUSSCGKSA-N 1 1 371.315 3.239 20 5 FGBDMO CC[N@@H+](C)[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000130297325 495369824 /nfs/dbraw/zinc/36/98/24/495369824.db2.gz HAFPPWDFPRIYSR-IBGZPJMESA-N 1 1 353.422 3.173 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000114643566 495403317 /nfs/dbraw/zinc/40/33/17/495403317.db2.gz ORJSQWUSNULOGC-SFHVURJKSA-N 1 1 353.422 3.298 20 5 FGBDMO CCO[C@H]1C[C@H]([N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1(C)C ZINC000120661349 495429255 /nfs/dbraw/zinc/42/92/55/495429255.db2.gz SCRKSYQBAQZGEJ-GJZGRUSLSA-N 1 1 360.414 3.280 20 5 FGBDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1(C)C ZINC000120661349 495429258 /nfs/dbraw/zinc/42/92/58/495429258.db2.gz SCRKSYQBAQZGEJ-GJZGRUSLSA-N 1 1 360.414 3.280 20 5 FGBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1csc([N+](=O)[O-])c1 ZINC000139988256 495487101 /nfs/dbraw/zinc/48/71/01/495487101.db2.gz ZJABZCQZZOGQEE-LBPRGKRZSA-N 1 1 365.480 3.360 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000115552241 495515602 /nfs/dbraw/zinc/51/56/02/495515602.db2.gz UDSLLWFHZVJBID-GOEBONIOSA-N 1 1 369.421 3.420 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000115552241 495515605 /nfs/dbraw/zinc/51/56/05/495515605.db2.gz UDSLLWFHZVJBID-GOEBONIOSA-N 1 1 369.421 3.420 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCSC[C@@H]2c2ccccc2)c1 ZINC000115561107 495517742 /nfs/dbraw/zinc/51/77/42/495517742.db2.gz ZBCZQNLPZFBGCM-PKOBYXMFSA-N 1 1 374.462 3.125 20 5 FGBDMO CC(=O)N1CC[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)c2ccc(F)cc2C1 ZINC000185356046 495545505 /nfs/dbraw/zinc/54/55/05/495545505.db2.gz RZNVYQZBRBQLNU-MRXNPFEDSA-N 1 1 363.414 3.379 20 5 FGBDMO C[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000173505250 495563816 /nfs/dbraw/zinc/56/38/16/495563816.db2.gz CUBRSGZHKMHRAH-KRWDZBQOSA-N 1 1 367.449 3.260 20 5 FGBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000173523450 495572479 /nfs/dbraw/zinc/57/24/79/495572479.db2.gz NKALZZZVVFQWLI-HNNXBMFYSA-N 1 1 368.437 3.035 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cnc2cc(C)nn2c1C ZINC000179424246 495585466 /nfs/dbraw/zinc/58/54/66/495585466.db2.gz SUHOKWHTOOBULC-LBPRGKRZSA-N 1 1 355.398 3.114 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000179466333 495602275 /nfs/dbraw/zinc/60/22/75/495602275.db2.gz GIEAHFUPFNOJEX-QAPCUYQASA-N 1 1 370.409 3.170 20 5 FGBDMO COc1cc(C[NH+]2CCC(O)(c3ccccc3)CC2)c([N+](=O)[O-])cc1F ZINC000185527500 495611146 /nfs/dbraw/zinc/61/11/46/495611146.db2.gz LTSWOJGACPQWIT-UHFFFAOYSA-N 1 1 360.385 3.226 20 5 FGBDMO COc1cc(C(=O)N2C[C@H]3CCC[N@H+]3Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000154420447 495611559 /nfs/dbraw/zinc/61/15/59/495611559.db2.gz HARRDIAUBCOSSG-MRXNPFEDSA-N 1 1 367.405 3.228 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CC[C@H]1CCCC[N@@H+]1C ZINC000173635588 495626058 /nfs/dbraw/zinc/62/60/58/495626058.db2.gz RKLIDUZMPCEJNZ-MRXNPFEDSA-N 1 1 362.474 3.038 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CC[C@H]1CCCC[N@H+]1C ZINC000173635588 495626060 /nfs/dbraw/zinc/62/60/60/495626060.db2.gz RKLIDUZMPCEJNZ-MRXNPFEDSA-N 1 1 362.474 3.038 20 5 FGBDMO C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185697868 495685224 /nfs/dbraw/zinc/68/52/24/495685224.db2.gz HOCOXZWZMXHDIC-PMPSAXMXSA-N 1 1 374.485 3.164 20 5 FGBDMO C[C@H](N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000185740798 495705527 /nfs/dbraw/zinc/70/55/27/495705527.db2.gz TXBLLGTWSGDMQF-JYJNAYRXSA-N 1 1 374.485 3.164 20 5 FGBDMO CC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1OCC(=O)N(C)C ZINC000171128184 495734758 /nfs/dbraw/zinc/73/47/58/495734758.db2.gz LVHUTMQCIYQROE-KRWDZBQOSA-N 1 1 371.437 3.303 20 5 FGBDMO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc([N+](=O)[O-])c1 ZINC000171128651 495736488 /nfs/dbraw/zinc/73/64/88/495736488.db2.gz COOVMNSRFSYVCN-LLVKDONJSA-N 1 1 359.338 3.220 20 5 FGBDMO CC(=O)N1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000179812551 495744687 /nfs/dbraw/zinc/74/46/87/495744687.db2.gz ZPVDUBJVXQUPRE-UHFFFAOYSA-N 1 1 359.451 3.378 20 5 FGBDMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000159588980 495765628 /nfs/dbraw/zinc/76/56/28/495765628.db2.gz JCZDJAYXHKTBLU-STQMWFEESA-N 1 1 359.451 3.409 20 5 FGBDMO C[C@H]1CCC[N@H+]1C1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000154922499 495772982 /nfs/dbraw/zinc/77/29/82/495772982.db2.gz VTOAFOQEXIBMKX-NSHDSACASA-N 1 1 369.263 3.205 20 5 FGBDMO COc1ccc(F)cc1[C@@H](C)[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000179937708 495791548 /nfs/dbraw/zinc/79/15/48/495791548.db2.gz OKNSQLIOXVXABD-GFCCVEGCSA-N 1 1 361.373 3.340 20 5 FGBDMO C[NH+](C)[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)c1ccccc1Cl ZINC000179968796 495804578 /nfs/dbraw/zinc/80/45/78/495804578.db2.gz QRQLPMNBUCOMDQ-ZDUSSCGKSA-N 1 1 360.805 3.006 20 5 FGBDMO Cc1c(CC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000180198491 495901624 /nfs/dbraw/zinc/90/16/24/495901624.db2.gz XOIPCZFMJDQNAP-FXAWDEMLSA-N 1 1 353.422 3.007 20 5 FGBDMO Cc1[nH]c2ccccc2c1C1=CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000177092490 495921213 /nfs/dbraw/zinc/92/12/13/495921213.db2.gz VVKBOBBYOGHWGL-UHFFFAOYSA-N 1 1 351.410 3.370 20 5 FGBDMO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000160429883 495961545 /nfs/dbraw/zinc/96/15/45/495961545.db2.gz BGRLCZOFQAHMCM-UHFFFAOYSA-N 1 1 363.421 3.307 20 5 FGBDMO C[C@@H]([NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)c1cccc([N+](=O)[O-])c1 ZINC000180431524 495993721 /nfs/dbraw/zinc/99/37/21/495993721.db2.gz DDSFQNNBYHGGNN-SNVBAGLBSA-N 1 1 370.434 3.232 20 5 FGBDMO Cn1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000174598730 496028058 /nfs/dbraw/zinc/02/80/58/496028058.db2.gz KBSPXHVDICQQEO-JLYLLQBASA-N 1 1 369.469 3.100 20 5 FGBDMO Cn1cc(CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000174598730 496028062 /nfs/dbraw/zinc/02/80/62/496028062.db2.gz KBSPXHVDICQQEO-JLYLLQBASA-N 1 1 369.469 3.100 20 5 FGBDMO Cn1cc(CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000174598730 496028065 /nfs/dbraw/zinc/02/80/65/496028065.db2.gz KBSPXHVDICQQEO-JLYLLQBASA-N 1 1 369.469 3.100 20 5 FGBDMO C[C@]1(CNc2ccc3ncc([N+](=O)[O-])n3n2)CCC[N@H+]1Cc1ccccc1 ZINC000160807832 496046532 /nfs/dbraw/zinc/04/65/32/496046532.db2.gz VTIHRSMMGAMRJH-LJQANCHMSA-N 1 1 366.425 3.104 20 5 FGBDMO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC2 ZINC000152864075 496279896 /nfs/dbraw/zinc/27/98/96/496279896.db2.gz TXEFFNZVVKNEAD-HZPDHXFCSA-N 1 1 354.834 3.000 20 5 FGBDMO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172418363 496290034 /nfs/dbraw/zinc/29/00/34/496290034.db2.gz IJWJEKVDYGOQHV-UHFFFAOYSA-N 1 1 374.485 3.264 20 5 FGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H](COc3ccccc3Cl)C2)n1 ZINC000157016393 496386405 /nfs/dbraw/zinc/38/64/05/496386405.db2.gz XIRZIPVXSPCMOX-AWEZNQCLSA-N 1 1 364.833 3.236 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000184483634 496404736 /nfs/dbraw/zinc/40/47/36/496404736.db2.gz PYGCIZLFDYBFIM-AWEZNQCLSA-N 1 1 350.415 3.157 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000184483634 496404740 /nfs/dbraw/zinc/40/47/40/496404740.db2.gz PYGCIZLFDYBFIM-AWEZNQCLSA-N 1 1 350.415 3.157 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000172761800 496420397 /nfs/dbraw/zinc/42/03/97/496420397.db2.gz PMGRJCGZQZKEOH-OAHLLOKOSA-N 1 1 353.422 3.080 20 5 FGBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000172842493 496457871 /nfs/dbraw/zinc/45/78/71/496457871.db2.gz UAPZNMWXRULTOF-INIZCTEOSA-N 1 1 360.458 3.116 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000173018797 496521890 /nfs/dbraw/zinc/52/18/90/496521890.db2.gz XXGUPIJTPDJVNG-MRXNPFEDSA-N 1 1 353.422 3.250 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000173018797 496521894 /nfs/dbraw/zinc/52/18/94/496521894.db2.gz XXGUPIJTPDJVNG-MRXNPFEDSA-N 1 1 353.422 3.250 20 5 FGBDMO Cc1cc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000153667393 496538292 /nfs/dbraw/zinc/53/82/92/496538292.db2.gz RWOLERZCECRBQO-KSSFIOAISA-N 1 1 358.442 3.384 20 5 FGBDMO O=C(c1ccc(Cl)cc1)C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000157764636 496548053 /nfs/dbraw/zinc/54/80/53/496548053.db2.gz YFBDKAFJCKHLID-UHFFFAOYSA-N 1 1 362.817 3.040 20 5 FGBDMO C[C@H](C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000571942072 505851339 /nfs/dbraw/zinc/85/13/39/505851339.db2.gz ZSUCNMAXPVGDBW-AWEZNQCLSA-N 1 1 359.401 3.086 20 5 FGBDMO C[N@@H+](Cc1ccc(F)cc1Cl)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181860792 496575369 /nfs/dbraw/zinc/57/53/69/496575369.db2.gz ABFQBMFGNJBGTQ-CQSZACIVSA-N 1 1 368.792 3.259 20 5 FGBDMO C[N@H+](Cc1ccc(F)cc1Cl)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181860792 496575372 /nfs/dbraw/zinc/57/53/72/496575372.db2.gz ABFQBMFGNJBGTQ-CQSZACIVSA-N 1 1 368.792 3.259 20 5 FGBDMO COc1ccccc1[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000157944166 496591931 /nfs/dbraw/zinc/59/19/31/496591931.db2.gz UZXPXANFHGYMEJ-HNNXBMFYSA-N 1 1 369.421 3.422 20 5 FGBDMO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000571956874 505854611 /nfs/dbraw/zinc/85/46/11/505854611.db2.gz NYNHDGQCSRTHIU-AEFFLSMTSA-N 1 1 374.437 3.426 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)c1 ZINC000173265675 496617402 /nfs/dbraw/zinc/61/74/02/496617402.db2.gz WMCWSQQLSUGXGN-AWEZNQCLSA-N 1 1 363.483 3.311 20 5 FGBDMO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182114831 496675576 /nfs/dbraw/zinc/67/55/76/496675576.db2.gz LUROLKRQLPIHPC-CYBMUJFWSA-N 1 1 353.850 3.232 20 5 FGBDMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182114831 496675580 /nfs/dbraw/zinc/67/55/80/496675580.db2.gz LUROLKRQLPIHPC-CYBMUJFWSA-N 1 1 353.850 3.232 20 5 FGBDMO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000154094382 496682067 /nfs/dbraw/zinc/68/20/67/496682067.db2.gz SICVURBJMWYOSX-PXAZEXFGSA-N 1 1 363.845 3.337 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000247400083 496850366 /nfs/dbraw/zinc/85/03/66/496850366.db2.gz MOUPMIUSFBUBPI-KEYYUXOJSA-N 1 1 365.499 3.264 20 5 FGBDMO C[C@@H](c1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000264459082 496905569 /nfs/dbraw/zinc/90/55/69/496905569.db2.gz PKCLOQMMZFXWFR-HNNXBMFYSA-N 1 1 369.421 3.169 20 5 FGBDMO Cc1c(CC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000248136292 496959943 /nfs/dbraw/zinc/95/99/43/496959943.db2.gz XOIPCZFMJDQNAP-XLIONFOSSA-N 1 1 353.422 3.007 20 5 FGBDMO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H](CO)c1ccccc1 ZINC000269568264 496972144 /nfs/dbraw/zinc/97/21/44/496972144.db2.gz MWXAIZPFMVXPHN-GOSISDBHSA-N 1 1 367.405 3.458 20 5 FGBDMO CC(C)[C@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000248272253 496976911 /nfs/dbraw/zinc/97/69/11/496976911.db2.gz QNPVTSVBPAORLH-HNNXBMFYSA-N 1 1 361.364 3.382 20 5 FGBDMO COc1ccc([C@H](C)[N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000248374733 496985972 /nfs/dbraw/zinc/98/59/72/496985972.db2.gz SVNPNJKWJYHBQQ-GOEBONIOSA-N 1 1 360.410 3.036 20 5 FGBDMO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269680328 496988017 /nfs/dbraw/zinc/98/80/17/496988017.db2.gz XUXRRLFMEIELSS-OALUTQOASA-N 1 1 366.421 3.352 20 5 FGBDMO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269680328 496988023 /nfs/dbraw/zinc/98/80/23/496988023.db2.gz XUXRRLFMEIELSS-OALUTQOASA-N 1 1 366.421 3.352 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@@H+](C)C[C@H](C)c2nccs2)cccc1[N+](=O)[O-] ZINC000248436768 497011472 /nfs/dbraw/zinc/01/14/72/497011472.db2.gz AXIPQVFPAJJXLK-AAEUAGOBSA-N 1 1 362.455 3.422 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@H+](C)C[C@H](C)c2nccs2)cccc1[N+](=O)[O-] ZINC000248436768 497011475 /nfs/dbraw/zinc/01/14/75/497011475.db2.gz AXIPQVFPAJJXLK-AAEUAGOBSA-N 1 1 362.455 3.422 20 5 FGBDMO CCCn1cc[nH+]c1CCCN(C)c1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000192236387 497042732 /nfs/dbraw/zinc/04/27/32/497042732.db2.gz XLYVBCZCSPVLBY-UHFFFAOYSA-N 1 1 374.441 3.365 20 5 FGBDMO Cn1ccnc1[C@@H](NC[C@H]1CCCC[N@H+]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000278313496 497070862 /nfs/dbraw/zinc/07/08/62/497070862.db2.gz FJARDTYWZWRWKJ-MOPGFXCFSA-N 1 1 369.469 3.024 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000229072789 497096435 /nfs/dbraw/zinc/09/64/35/497096435.db2.gz FMIGZWWPUYUYBA-WMLDXEAASA-N 1 1 354.410 3.108 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000229072789 497096437 /nfs/dbraw/zinc/09/64/37/497096437.db2.gz FMIGZWWPUYUYBA-WMLDXEAASA-N 1 1 354.410 3.108 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000248851879 497118410 /nfs/dbraw/zinc/11/84/10/497118410.db2.gz OVVHWWBJAPXSRU-FZKQIMNGSA-N 1 1 373.840 3.499 20 5 FGBDMO Cc1c(NC(=O)CCN2CCC[N@H+](C3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000265641920 497153637 /nfs/dbraw/zinc/15/36/37/497153637.db2.gz KALMBFKQAIILDY-UHFFFAOYSA-N 1 1 374.485 3.182 20 5 FGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249590759 497225974 /nfs/dbraw/zinc/22/59/74/497225974.db2.gz VIKZSTKIHPUUGT-UTKZUKDTSA-N 1 1 369.465 3.225 20 5 FGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000249590759 497225977 /nfs/dbraw/zinc/22/59/77/497225977.db2.gz VIKZSTKIHPUUGT-UTKZUKDTSA-N 1 1 369.465 3.225 20 5 FGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000249590759 497225978 /nfs/dbraw/zinc/22/59/78/497225978.db2.gz VIKZSTKIHPUUGT-UTKZUKDTSA-N 1 1 369.465 3.225 20 5 FGBDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000249746029 497240215 /nfs/dbraw/zinc/24/02/15/497240215.db2.gz MRNAVBXFWGFQFF-BEFAXECRSA-N 1 1 369.421 3.385 20 5 FGBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000249746029 497240223 /nfs/dbraw/zinc/24/02/23/497240223.db2.gz MRNAVBXFWGFQFF-BEFAXECRSA-N 1 1 369.421 3.385 20 5 FGBDMO CCn1nccc1C1CC[NH+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000278907196 497262210 /nfs/dbraw/zinc/26/22/10/497262210.db2.gz QBLJOHMKJBNKOV-CQSZACIVSA-N 1 1 371.441 3.018 20 5 FGBDMO NC(=O)c1ccc(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000193008693 497274258 /nfs/dbraw/zinc/27/42/58/497274258.db2.gz GJUMCJRKCBHDBB-UHFFFAOYSA-N 1 1 355.369 3.122 20 5 FGBDMO NC(=O)c1ccc(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000193008693 497274262 /nfs/dbraw/zinc/27/42/62/497274262.db2.gz GJUMCJRKCBHDBB-UHFFFAOYSA-N 1 1 355.369 3.122 20 5 FGBDMO CCc1nn(C)c(OC)c1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278978571 497289524 /nfs/dbraw/zinc/28/95/24/497289524.db2.gz CVUZUOAJCURNHO-KRWDZBQOSA-N 1 1 358.442 3.412 20 5 FGBDMO C[N@H+](Cc1ccc(Cl)cc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193315991 497348102 /nfs/dbraw/zinc/34/81/02/497348102.db2.gz NIMMSBWSLRBBDM-HNNXBMFYSA-N 1 1 350.802 3.120 20 5 FGBDMO C[N@@H+](CCSCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000193619482 497429087 /nfs/dbraw/zinc/42/90/87/497429087.db2.gz DOBGAUQUYPBZFZ-UHFFFAOYSA-N 1 1 359.451 3.399 20 5 FGBDMO COc1cc(C[NH+]2CCC(C)(OC)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000271796443 497453060 /nfs/dbraw/zinc/45/30/60/497453060.db2.gz VRQTVWZRZORHOV-UHFFFAOYSA-N 1 1 360.357 3.206 20 5 FGBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)[C@@H]2C1 ZINC000275984276 497475079 /nfs/dbraw/zinc/47/50/79/497475079.db2.gz PJMFDPULYKCYQS-JLTOFOAXSA-N 1 1 361.445 3.260 20 5 FGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000193782834 497480185 /nfs/dbraw/zinc/48/01/85/497480185.db2.gz YXJPBWFGPBVWOK-CQSZACIVSA-N 1 1 373.432 3.431 20 5 FGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000193782834 497480191 /nfs/dbraw/zinc/48/01/91/497480191.db2.gz YXJPBWFGPBVWOK-CQSZACIVSA-N 1 1 373.432 3.431 20 5 FGBDMO Cc1cccc(C[NH+]2CCN(C(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000575069470 505913798 /nfs/dbraw/zinc/91/37/98/505913798.db2.gz RMJANCFCOYTIRD-KRWDZBQOSA-N 1 1 367.449 3.351 20 5 FGBDMO CCOC1CC(CC[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000276416794 497569166 /nfs/dbraw/zinc/56/91/66/497569166.db2.gz FXNAQGDSTQJEID-UYJHFMRCSA-N 1 1 358.442 3.213 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@H]1c1ccccc1 ZINC000245919619 497571430 /nfs/dbraw/zinc/57/14/30/497571430.db2.gz SJTXKOIAAYYWQB-DLBZAZTESA-N 1 1 359.813 3.423 20 5 FGBDMO CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000575077771 505915086 /nfs/dbraw/zinc/91/50/86/505915086.db2.gz OTBCHSOFYQOYTM-GOSISDBHSA-N 1 1 361.417 3.095 20 5 FGBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000572226673 505919104 /nfs/dbraw/zinc/91/91/04/505919104.db2.gz DLNCJWGJNFLDCA-GOSISDBHSA-N 1 1 360.458 3.191 20 5 FGBDMO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000272521561 497650878 /nfs/dbraw/zinc/65/08/78/497650878.db2.gz LHYSYXLODVDMBD-HNNXBMFYSA-N 1 1 361.442 3.029 20 5 FGBDMO C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272530123 497653025 /nfs/dbraw/zinc/65/30/25/497653025.db2.gz MUAYERVPAVNRFP-IFXJQAMLSA-N 1 1 366.421 3.344 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000246366073 497709481 /nfs/dbraw/zinc/70/94/81/497709481.db2.gz AFJVKPOGWDGVNL-GRDNDAEWSA-N 1 1 363.483 3.018 20 5 FGBDMO CC(C)c1[nH]nc(C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)c1[N+](=O)[O-] ZINC000280305716 497714482 /nfs/dbraw/zinc/71/44/82/497714482.db2.gz TXEUIRGBAINVSM-UHFFFAOYSA-N 1 1 365.821 3.409 20 5 FGBDMO O=[N+]([O-])c1cccc(C[NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)c1 ZINC000280321890 497718521 /nfs/dbraw/zinc/71/85/21/497718521.db2.gz QJQGFBRRPNRTTM-AWEZNQCLSA-N 1 1 356.300 3.317 20 5 FGBDMO Cc1cc(C(=O)Nc2nc3c(s2)C[N@H+](C(C)C)CC3)cc([N+](=O)[O-])c1 ZINC000273050487 497790961 /nfs/dbraw/zinc/79/09/61/497790961.db2.gz QWFAANADJVNPDF-UHFFFAOYSA-N 1 1 360.439 3.379 20 5 FGBDMO Cc1cc(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)C)CC3)cc([N+](=O)[O-])c1 ZINC000273050487 497790964 /nfs/dbraw/zinc/79/09/64/497790964.db2.gz QWFAANADJVNPDF-UHFFFAOYSA-N 1 1 360.439 3.379 20 5 FGBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000246647565 497794860 /nfs/dbraw/zinc/79/48/60/497794860.db2.gz CNNVFNNSTKPQDQ-IGOJGBNBSA-N 1 1 367.449 3.481 20 5 FGBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000246820812 497813608 /nfs/dbraw/zinc/81/36/08/497813608.db2.gz CGSYNWNYTBWHHQ-LSDHHAIUSA-N 1 1 365.499 3.266 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000246851977 497816787 /nfs/dbraw/zinc/81/67/87/497816787.db2.gz KTVHVAAUZVLLKA-FRIZHTMISA-N 1 1 372.425 3.333 20 5 FGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000246881336 497818449 /nfs/dbraw/zinc/81/84/49/497818449.db2.gz LTHJWGCKYFYCPJ-WBVHZDCISA-N 1 1 352.456 3.088 20 5 FGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000246881336 497818450 /nfs/dbraw/zinc/81/84/50/497818450.db2.gz LTHJWGCKYFYCPJ-WBVHZDCISA-N 1 1 352.456 3.088 20 5 FGBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@H](C)c2ccncc2)c([N+](=O)[O-])c1 ZINC000299725160 497908687 /nfs/dbraw/zinc/90/86/87/497908687.db2.gz UFKWFQRFTDBWNY-CYBMUJFWSA-N 1 1 358.398 3.020 20 5 FGBDMO COC[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000284902431 497936634 /nfs/dbraw/zinc/93/66/34/497936634.db2.gz CGIJLXXGKMOJES-QLJPJBMISA-N 1 1 351.353 3.494 20 5 FGBDMO COc1ccc(C[N@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000288982124 497969123 /nfs/dbraw/zinc/96/91/23/497969123.db2.gz ZIGOYHRXDFNPKS-FQEVSTJZSA-N 1 1 374.412 3.170 20 5 FGBDMO O=C(CC[N@@H+]1CCOC[C@H]1c1ccccc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000364628185 498057092 /nfs/dbraw/zinc/05/70/92/498057092.db2.gz FNFLFDDMPIWPCJ-SFHVURJKSA-N 1 1 373.384 3.136 20 5 FGBDMO O=C(CC[N@H+]1CCOC[C@H]1c1ccccc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000364628185 498057097 /nfs/dbraw/zinc/05/70/97/498057097.db2.gz FNFLFDDMPIWPCJ-SFHVURJKSA-N 1 1 373.384 3.136 20 5 FGBDMO CCOC1CC2(C1)CC[N@@H+]([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C2 ZINC000285354725 498061154 /nfs/dbraw/zinc/06/11/54/498061154.db2.gz AZXQCHQOXYSHLD-TZGCNFNXSA-N 1 1 361.442 3.121 20 5 FGBDMO CCOC1CC2(C1)CC[N@H+]([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C2 ZINC000285354725 498061162 /nfs/dbraw/zinc/06/11/62/498061162.db2.gz AZXQCHQOXYSHLD-TZGCNFNXSA-N 1 1 361.442 3.121 20 5 FGBDMO Cc1cc(N(C)C[C@@H]2CCC[N@@H+](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301352297 498069991 /nfs/dbraw/zinc/06/99/91/498069991.db2.gz LSRYYLMNYQRZRG-OAHLLOKOSA-N 1 1 355.442 3.138 20 5 FGBDMO Cc1noc(C2(C)CC[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)CC2)n1 ZINC000364688422 498090660 /nfs/dbraw/zinc/09/06/60/498090660.db2.gz UEDHPKNFKSRVGV-UHFFFAOYSA-N 1 1 350.806 3.493 20 5 FGBDMO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000364727095 498116414 /nfs/dbraw/zinc/11/64/14/498116414.db2.gz CRGHQHANOQUJFQ-NEPJUHHUSA-N 1 1 372.347 3.362 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1c(F)cncc1F ZINC000285537465 498121372 /nfs/dbraw/zinc/12/13/72/498121372.db2.gz FSUDRNLMHRINTO-LLVKDONJSA-N 1 1 364.352 3.256 20 5 FGBDMO CCOC1CC2(C1)CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C2 ZINC000285583919 498137638 /nfs/dbraw/zinc/13/76/38/498137638.db2.gz VJJRCAAOQTXPCZ-UHFFFAOYSA-N 1 1 361.442 3.123 20 5 FGBDMO COCCO[C@@H]1CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000578648279 505989690 /nfs/dbraw/zinc/98/96/90/505989690.db2.gz KMICEYLXMUNANC-QGZVFWFLSA-N 1 1 360.410 3.482 20 5 FGBDMO C[C@@H](CNc1ncc([N+](=O)[O-])cc1Br)[N@H+]1CCC[C@H](C)C1 ZINC000301577616 498171495 /nfs/dbraw/zinc/17/14/95/498171495.db2.gz ZFPIYUBSFBOPTE-QWRGUYRKSA-N 1 1 357.252 3.285 20 5 FGBDMO O=[N+]([O-])c1cnc(NCC2(C[NH+]3CCOCC3)CCCCC2)c(Cl)c1 ZINC000301582626 498173977 /nfs/dbraw/zinc/17/39/77/498173977.db2.gz QDRFGQVNLYUUPV-UHFFFAOYSA-N 1 1 368.865 3.338 20 5 FGBDMO CC(C)C[N@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000301602910 498182407 /nfs/dbraw/zinc/18/24/07/498182407.db2.gz KQGZCDSVEYDAJN-NSHDSACASA-N 1 1 357.252 3.142 20 5 FGBDMO Cc1nc(Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000301628064 498195418 /nfs/dbraw/zinc/19/54/18/498195418.db2.gz HYZAUBBDEKBJQT-UHFFFAOYSA-N 1 1 361.833 3.447 20 5 FGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c1 ZINC000285782782 498199393 /nfs/dbraw/zinc/19/93/93/498199393.db2.gz DYSOUYUYNLOYDK-XRXFAXGQSA-N 1 1 368.433 3.133 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000581497919 506001556 /nfs/dbraw/zinc/00/15/56/506001556.db2.gz JNBXERIRWWUTRS-UHFFFAOYSA-N 1 1 351.472 3.263 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000581497919 506001561 /nfs/dbraw/zinc/00/15/61/506001561.db2.gz JNBXERIRWWUTRS-UHFFFAOYSA-N 1 1 351.472 3.263 20 5 FGBDMO C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000301816523 498277563 /nfs/dbraw/zinc/27/75/63/498277563.db2.gz DRACSFWEURQRLB-RDJZCZTQSA-N 1 1 360.345 3.499 20 5 FGBDMO Cc1cc(N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301821808 498279962 /nfs/dbraw/zinc/27/99/62/498279962.db2.gz KILQEHNWQPEGCH-PBHICJAKSA-N 1 1 355.442 3.279 20 5 FGBDMO CC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCOC(C)(C)C1 ZINC000289772958 498286396 /nfs/dbraw/zinc/28/63/96/498286396.db2.gz LKFZOUGNTPPTSO-HNNXBMFYSA-N 1 1 360.414 3.424 20 5 FGBDMO Cc1cc(N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301839914 498289195 /nfs/dbraw/zinc/28/91/95/498289195.db2.gz XRTZCBSEVRFICB-WMZOPIPTSA-N 1 1 367.453 3.281 20 5 FGBDMO C[C@H](Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)[C@H](C)[NH+]1CCOCC1 ZINC000301851830 498293232 /nfs/dbraw/zinc/29/32/32/498293232.db2.gz GDVDWXOQEWWJMJ-GJZGRUSLSA-N 1 1 356.426 3.178 20 5 FGBDMO CC(C)C[N@H+]1CC[C@H](CNc2c(Br)cncc2[N+](=O)[O-])C1 ZINC000301881524 498309609 /nfs/dbraw/zinc/30/96/09/498309609.db2.gz KEWBYYKQQXKHLW-LLVKDONJSA-N 1 1 357.252 3.142 20 5 FGBDMO CC(C)(C)Oc1cc(N2CC[NH+](Cc3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC000301891833 498313849 /nfs/dbraw/zinc/31/38/49/498313849.db2.gz RREZKGJWHJHWQN-UHFFFAOYSA-N 1 1 370.453 3.489 20 5 FGBDMO C[N@H+]1CCC[C@@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)[C@@H]1c1cccs1 ZINC000301893503 498314797 /nfs/dbraw/zinc/31/47/97/498314797.db2.gz APJLBQXIGKUCKD-YVEFUNNKSA-N 1 1 372.454 3.194 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000331481640 498345877 /nfs/dbraw/zinc/34/58/77/498345877.db2.gz JOONDPUQUWAMFB-WBMJQRKESA-N 1 1 363.483 3.308 20 5 FGBDMO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](CCc4ncc(-c5cccc([N+](=O)[O-])c5)o4)[C@H]1[C@H]3C2 ZINC000286311755 498358499 /nfs/dbraw/zinc/35/84/99/498358499.db2.gz CWRBVFGVWBOANR-ZJHALOJTSA-N 1 1 369.421 3.148 20 5 FGBDMO Cc1cnn([C@@H]2CC[N@@H+]([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)c1 ZINC000289970892 498376539 /nfs/dbraw/zinc/37/65/39/498376539.db2.gz RDTDMBZFGVYNMK-XJKSGUPXSA-N 1 1 368.397 3.158 20 5 FGBDMO Cc1cnn([C@@H]2CC[N@H+]([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)c1 ZINC000289970892 498376545 /nfs/dbraw/zinc/37/65/45/498376545.db2.gz RDTDMBZFGVYNMK-XJKSGUPXSA-N 1 1 368.397 3.158 20 5 FGBDMO Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000365273568 498382047 /nfs/dbraw/zinc/38/20/47/498382047.db2.gz ZSRNLLWQKQOYCB-GOSISDBHSA-N 1 1 366.425 3.123 20 5 FGBDMO Cc1cc(N2CC[NH+](Cc3ccncc3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302048697 498384354 /nfs/dbraw/zinc/38/43/54/498384354.db2.gz ZIQILYZYMWVRGB-UHFFFAOYSA-N 1 1 363.421 3.169 20 5 FGBDMO C[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000302238036 498455526 /nfs/dbraw/zinc/45/55/26/498455526.db2.gz WMIXBFGHWAERQX-KGLIPLIRSA-N 1 1 351.769 3.035 20 5 FGBDMO C[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000302238036 498455529 /nfs/dbraw/zinc/45/55/29/498455529.db2.gz WMIXBFGHWAERQX-KGLIPLIRSA-N 1 1 351.769 3.035 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]C[C@H]1COc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000290188002 498456407 /nfs/dbraw/zinc/45/64/07/498456407.db2.gz FVFYODCPKWVRLV-HNAYVOBHSA-N 1 1 364.405 3.184 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1COc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000290187993 498456554 /nfs/dbraw/zinc/45/65/54/498456554.db2.gz FVFYODCPKWVRLV-BEFAXECRSA-N 1 1 364.405 3.184 20 5 FGBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])C2)C1 ZINC000293805739 498495681 /nfs/dbraw/zinc/49/56/81/498495681.db2.gz AKFKEHKKRVZVKD-MRXNPFEDSA-N 1 1 372.252 3.460 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC000365671755 498591027 /nfs/dbraw/zinc/59/10/27/498591027.db2.gz FQNLFFPFDOIBOX-YJBOKZPZSA-N 1 1 357.385 3.218 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC000365671755 498591033 /nfs/dbraw/zinc/59/10/33/498591033.db2.gz FQNLFFPFDOIBOX-YJBOKZPZSA-N 1 1 357.385 3.218 20 5 FGBDMO O=[N+]([O-])c1ccc2c(c1NCCC[N@H+]1CCc3ccccc3C1)CCN2 ZINC000302865519 498604297 /nfs/dbraw/zinc/60/42/97/498604297.db2.gz YAZICDVVYSVZIZ-UHFFFAOYSA-N 1 1 352.438 3.423 20 5 FGBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000297912050 498608132 /nfs/dbraw/zinc/60/81/32/498608132.db2.gz TZSNGZFEWIJRKQ-RISCZKNCSA-N 1 1 371.359 3.170 20 5 FGBDMO COCc1nccc([C@H]2CCC[N@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000363036186 498613895 /nfs/dbraw/zinc/61/38/95/498613895.db2.gz CYZOQRJXUHCCRE-ZBFHGGJFSA-N 1 1 356.426 3.472 20 5 FGBDMO C[C@H]1[C@@H](N2CCCC2)CC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000287068655 498615785 /nfs/dbraw/zinc/61/57/85/498615785.db2.gz UUDKJLFZECHAMZ-YJBOKZPZSA-N 1 1 370.453 3.351 20 5 FGBDMO C[C@H]1[C@@H](N2CCCC2)CC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000287068655 498615793 /nfs/dbraw/zinc/61/57/93/498615793.db2.gz UUDKJLFZECHAMZ-YJBOKZPZSA-N 1 1 370.453 3.351 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])s1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000365739050 498619074 /nfs/dbraw/zinc/61/90/74/498619074.db2.gz HUALFRCZYGEWNH-HOTGVXAUSA-N 1 1 371.462 3.250 20 5 FGBDMO C[C@H](C(=O)NCCC[N@@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000569998010 506064811 /nfs/dbraw/zinc/06/48/11/506064811.db2.gz LNWHFUKPUZHPPC-INIZCTEOSA-N 1 1 355.438 3.337 20 5 FGBDMO COc1c(C(=O)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cccc1[N+](=O)[O-] ZINC000332287397 498633992 /nfs/dbraw/zinc/63/39/92/498633992.db2.gz IVGBKFSAEPQXEC-ZNMIVQPWSA-N 1 1 361.442 3.081 20 5 FGBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3csc(Br)c3)CC2)n1 ZINC000365819358 498654189 /nfs/dbraw/zinc/65/41/89/498654189.db2.gz JHIXBNDCKCXVRP-UHFFFAOYSA-N 1 1 371.260 3.452 20 5 FGBDMO CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000303332615 498665739 /nfs/dbraw/zinc/66/57/39/498665739.db2.gz CWSIAUGRFGSUPL-IBGZPJMESA-N 1 1 369.421 3.101 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H](C)c1cccc(O)c1 ZINC000298590740 498823816 /nfs/dbraw/zinc/82/38/16/498823816.db2.gz KHDHUUZDACIZTP-CYBMUJFWSA-N 1 1 373.409 3.331 20 5 FGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000295092935 498908004 /nfs/dbraw/zinc/90/80/04/498908004.db2.gz GFCHYPOXSKMDBE-QAPCUYQASA-N 1 1 370.453 3.286 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000295132387 498921552 /nfs/dbraw/zinc/92/15/52/498921552.db2.gz YQGNXCSHHPKTGC-IBGZPJMESA-N 1 1 370.453 3.033 20 5 FGBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1F ZINC000283806084 498986852 /nfs/dbraw/zinc/98/68/52/498986852.db2.gz BQQWESAZMDDJMH-UONOGXRCSA-N 1 1 363.433 3.425 20 5 FGBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3cnn(CC(F)F)c3)CC2)cc1 ZINC000295465015 499027017 /nfs/dbraw/zinc/02/70/17/499027017.db2.gz WEPZIRVCVNFYCZ-UHFFFAOYSA-N 1 1 366.368 3.100 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCC1(F)F ZINC000291668513 499029946 /nfs/dbraw/zinc/02/99/46/499029946.db2.gz WAZPWRFKNMJHQS-LBPRGKRZSA-N 1 1 350.369 3.472 20 5 FGBDMO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(F)cc2)no1 ZINC000369902814 499148734 /nfs/dbraw/zinc/14/87/34/499148734.db2.gz QQBPGFHCGTYRKK-MEDUHNTESA-N 1 1 372.356 3.168 20 5 FGBDMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000372741160 499169127 /nfs/dbraw/zinc/16/91/27/499169127.db2.gz PCURPDIYOQJRPB-GOSISDBHSA-N 1 1 371.441 3.111 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c2c(c1)COCO2 ZINC000367402236 499194816 /nfs/dbraw/zinc/19/48/16/499194816.db2.gz JIXBXVJHXUWJHN-HUUCEWRRSA-N 1 1 362.426 3.100 20 5 FGBDMO Cc1cc(N2CCC[N@@H+](C3CCOCC3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000367780667 499233096 /nfs/dbraw/zinc/23/30/96/499233096.db2.gz DRIGLVRBWDLBQR-UHFFFAOYSA-N 1 1 370.453 3.143 20 5 FGBDMO Cc1cc(N2CCC[N@H+](C3CCOCC3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000367780667 499233097 /nfs/dbraw/zinc/23/30/97/499233097.db2.gz DRIGLVRBWDLBQR-UHFFFAOYSA-N 1 1 370.453 3.143 20 5 FGBDMO COCC[C@@H]1CCCC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000372100151 499398950 /nfs/dbraw/zinc/39/89/50/499398950.db2.gz AWNZVKMCEWSYSI-INIZCTEOSA-N 1 1 363.458 3.370 20 5 FGBDMO Cn1cc([C@H]2[C@@H](CNc3c(F)cc([N+](=O)[O-])cc3F)CCC[N@H+]2C)cn1 ZINC000372132922 499402036 /nfs/dbraw/zinc/40/20/36/499402036.db2.gz ZZGFGTIUIHVKEL-PIGZYNQJSA-N 1 1 365.384 3.102 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(Nc2cccc(C)[nH+]2)CC1 ZINC000369458759 499405177 /nfs/dbraw/zinc/40/51/77/499405177.db2.gz RGUHSBCKOGESQS-UHFFFAOYSA-N 1 1 370.409 3.024 20 5 FGBDMO Cc1cccc(NC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3C)CC2)[nH+]1 ZINC000369458952 499405227 /nfs/dbraw/zinc/40/52/27/499405227.db2.gz SPYINUDSRDBEBF-UHFFFAOYSA-N 1 1 354.410 3.323 20 5 FGBDMO CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000369686756 499436517 /nfs/dbraw/zinc/43/65/17/499436517.db2.gz IGEPLEVSRLLYDP-QGZVFWFLSA-N 1 1 356.426 3.321 20 5 FGBDMO CCOC(=O)c1cc(NCc2[nH+]c(C)n3c2CCCC3)ccc1[N+](=O)[O-] ZINC000373149617 499453899 /nfs/dbraw/zinc/45/38/99/499453899.db2.gz BNYNFCJICKABFI-UHFFFAOYSA-N 1 1 358.398 3.225 20 5 FGBDMO COc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(CNC(C)=O)o2)cc1[N+](=O)[O-] ZINC000373347007 499464591 /nfs/dbraw/zinc/46/45/91/499464591.db2.gz KYCNNUHFTRBXHW-MRXNPFEDSA-N 1 1 373.409 3.170 20 5 FGBDMO COc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(CNC(C)=O)o2)cc1[N+](=O)[O-] ZINC000373347007 499464592 /nfs/dbraw/zinc/46/45/92/499464592.db2.gz KYCNNUHFTRBXHW-MRXNPFEDSA-N 1 1 373.409 3.170 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(c2ccccn2)CC1 ZINC000378258507 499495480 /nfs/dbraw/zinc/49/54/80/499495480.db2.gz FXEKOYVFENEGBD-UHFFFAOYSA-N 1 1 354.410 3.116 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000375283711 499503104 /nfs/dbraw/zinc/50/31/04/499503104.db2.gz FVQKLERIBMEFHI-SJCJKPOMSA-N 1 1 367.833 3.078 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000375283711 499503106 /nfs/dbraw/zinc/50/31/06/499503106.db2.gz FVQKLERIBMEFHI-SJCJKPOMSA-N 1 1 367.833 3.078 20 5 FGBDMO Cc1n[nH]cc1C1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000375383249 499512549 /nfs/dbraw/zinc/51/25/49/499512549.db2.gz ZMZCPOWLVMFRIS-UHFFFAOYSA-N 1 1 368.397 3.056 20 5 FGBDMO O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NCc1c[nH+]c2n1CCCC2 ZINC000375402099 499514359 /nfs/dbraw/zinc/51/43/59/499514359.db2.gz QVKZCVGULKIMKG-FNORWQNLSA-N 1 1 360.801 3.111 20 5 FGBDMO Cc1ncccc1O[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000375460364 499521708 /nfs/dbraw/zinc/52/17/08/499521708.db2.gz WIUKWFPPLBCJDI-CQSZACIVSA-N 1 1 354.366 3.093 20 5 FGBDMO Cc1ncccc1O[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000375460364 499521709 /nfs/dbraw/zinc/52/17/09/499521709.db2.gz WIUKWFPPLBCJDI-CQSZACIVSA-N 1 1 354.366 3.093 20 5 FGBDMO C[N@@H+](Cc1ccccc1)C1(CNc2ccc(C(N)=O)cc2[N+](=O)[O-])CCC1 ZINC000386735699 499549164 /nfs/dbraw/zinc/54/91/64/499549164.db2.gz CFFBWNJTJYBAFS-UHFFFAOYSA-N 1 1 368.437 3.160 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000408411614 499587563 /nfs/dbraw/zinc/58/75/63/499587563.db2.gz JCXUVULFDULEGY-OCCSQVGLSA-N 1 1 351.834 3.255 20 5 FGBDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000411060905 499694275 /nfs/dbraw/zinc/69/42/75/499694275.db2.gz OVQCGANHIJJNLJ-LBPRGKRZSA-N 1 1 359.348 3.170 20 5 FGBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000411060905 499694277 /nfs/dbraw/zinc/69/42/77/499694277.db2.gz OVQCGANHIJJNLJ-LBPRGKRZSA-N 1 1 359.348 3.170 20 5 FGBDMO Cc1ncc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])c(C)n3)[C@@H](C)C2)s1 ZINC000378133415 499760471 /nfs/dbraw/zinc/76/04/71/499760471.db2.gz KVSDKMTUAJZVSI-NHYWBVRUSA-N 1 1 361.471 3.386 20 5 FGBDMO C[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C2(CCCCC2)C1 ZINC000412168793 499830155 /nfs/dbraw/zinc/83/01/55/499830155.db2.gz YVORXUWRLGPYKM-ZWKOTPCHSA-N 1 1 357.454 3.175 20 5 FGBDMO C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000412242535 499837235 /nfs/dbraw/zinc/83/72/35/499837235.db2.gz JXRFTMGJJZBWMO-SOHDHNSJSA-N 1 1 371.481 3.468 20 5 FGBDMO CC(C)(C(=O)N1CCC[N@@H+](CC2CCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000412312758 499843867 /nfs/dbraw/zinc/84/38/67/499843867.db2.gz ICBHGCVOEPRYPX-UHFFFAOYSA-N 1 1 359.470 3.207 20 5 FGBDMO C[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000412700747 499877485 /nfs/dbraw/zinc/87/74/85/499877485.db2.gz RFJPHTOPWKBFLY-KRWDZBQOSA-N 1 1 367.449 3.260 20 5 FGBDMO C[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000412700747 499877486 /nfs/dbraw/zinc/87/74/86/499877486.db2.gz RFJPHTOPWKBFLY-KRWDZBQOSA-N 1 1 367.449 3.260 20 5 FGBDMO Cc1cccc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)c1[N+](=O)[O-] ZINC000424997487 499986949 /nfs/dbraw/zinc/98/69/49/499986949.db2.gz CEERLFIWCHWDJO-PKOBYXMFSA-N 1 1 365.433 3.250 20 5 FGBDMO COc1cccc(CN(C)C(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000429229810 500027576 /nfs/dbraw/zinc/02/75/76/500027576.db2.gz INABGRAFJGGORF-UHFFFAOYSA-N 1 1 371.437 3.087 20 5 FGBDMO Cc1ccccc1CCNC(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429241180 500030934 /nfs/dbraw/zinc/03/09/34/500030934.db2.gz VQEKMBPFAPJTEG-UHFFFAOYSA-N 1 1 355.438 3.087 20 5 FGBDMO COc1cc(C[N@@H+]2CCN(c3cccc(F)c3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000429242709 500032321 /nfs/dbraw/zinc/03/23/21/500032321.db2.gz WWNRWUMDGLLDSA-AWEZNQCLSA-N 1 1 359.401 3.453 20 5 FGBDMO COc1cc(C[N@H+]2CCN(c3cccc(F)c3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000429242709 500032323 /nfs/dbraw/zinc/03/23/23/500032323.db2.gz WWNRWUMDGLLDSA-AWEZNQCLSA-N 1 1 359.401 3.453 20 5 FGBDMO C[C@H]1Cc2ccccc2N1C(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429265267 500037327 /nfs/dbraw/zinc/03/73/27/500037327.db2.gz PLILUNQVKOYDCA-AWEZNQCLSA-N 1 1 353.422 3.397 20 5 FGBDMO COc1ccc(NC(=O)C[N@H+](C)Cc2cc(C)ccc2C)c([N+](=O)[O-])c1 ZINC000429291609 500044387 /nfs/dbraw/zinc/04/43/87/500044387.db2.gz GWERLMWMSMKARV-UHFFFAOYSA-N 1 1 357.410 3.291 20 5 FGBDMO COc1ccc(NC(=O)C[N@@H+](C)Cc2cc(C)ccc2C)c([N+](=O)[O-])c1 ZINC000429291609 500044391 /nfs/dbraw/zinc/04/43/91/500044391.db2.gz GWERLMWMSMKARV-UHFFFAOYSA-N 1 1 357.410 3.291 20 5 FGBDMO COc1cccc(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)c1[N+](=O)[O-] ZINC000425272966 500062004 /nfs/dbraw/zinc/06/20/04/500062004.db2.gz HWZHONDIVFYLBI-FUHWJXTLSA-N 1 1 353.422 3.314 20 5 FGBDMO CC(C)Oc1cc(C(=O)N2CC[NH2+][C@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000413846087 500075171 /nfs/dbraw/zinc/07/51/71/500075171.db2.gz QMVVGTUGDSGVTF-KRWDZBQOSA-N 1 1 369.421 3.169 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@@H](n4ccnn4)C3)o2)cc1 ZINC000425344194 500079544 /nfs/dbraw/zinc/07/95/44/500079544.db2.gz BTEGXAIOBAHIHN-MRXNPFEDSA-N 1 1 353.382 3.283 20 5 FGBDMO C[C@@H]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000429578113 500107229 /nfs/dbraw/zinc/10/72/29/500107229.db2.gz LNRIYECZHGVCSP-MNOVXSKESA-N 1 1 370.247 3.416 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000425466070 500113977 /nfs/dbraw/zinc/11/39/77/500113977.db2.gz ASLCKONBPCMVOD-LALPHHSUSA-N 1 1 369.259 3.340 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000425466070 500113981 /nfs/dbraw/zinc/11/39/81/500113981.db2.gz ASLCKONBPCMVOD-LALPHHSUSA-N 1 1 369.259 3.340 20 5 FGBDMO Cc1c(C[N@@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000430298173 500223733 /nfs/dbraw/zinc/22/37/33/500223733.db2.gz JSUBQMKEPXKRNC-QGZVFWFLSA-N 1 1 353.422 3.388 20 5 FGBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000426897134 500334805 /nfs/dbraw/zinc/33/48/05/500334805.db2.gz FCBPWMABWJSSSA-AWEZNQCLSA-N 1 1 363.458 3.234 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000426921844 500336845 /nfs/dbraw/zinc/33/68/45/500336845.db2.gz VNWWKUHPHUSWFH-OKILXGFUSA-N 1 1 363.458 3.090 20 5 FGBDMO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000428022248 500459329 /nfs/dbraw/zinc/45/93/29/500459329.db2.gz LSHVUGNSBBWGCS-HNNXBMFYSA-N 1 1 369.421 3.037 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000428022248 500459330 /nfs/dbraw/zinc/45/93/30/500459330.db2.gz LSHVUGNSBBWGCS-HNNXBMFYSA-N 1 1 369.421 3.037 20 5 FGBDMO COc1cncc(/C=C/CC[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000570566754 506197701 /nfs/dbraw/zinc/19/77/01/506197701.db2.gz LVPUJYXPWYMLJM-DUXPYHPUSA-N 1 1 355.394 3.296 20 5 FGBDMO COc1cncc(/C=C/CC[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000570566754 506197703 /nfs/dbraw/zinc/19/77/03/506197703.db2.gz LVPUJYXPWYMLJM-DUXPYHPUSA-N 1 1 355.394 3.296 20 5 FGBDMO C[N@H+]1CCC[C@@H](CNc2c(C(N)=O)cccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000420605200 500476752 /nfs/dbraw/zinc/47/67/52/500476752.db2.gz UMHTVASQNCJZBW-YVEFUNNKSA-N 1 1 374.466 3.250 20 5 FGBDMO Cc1cnc(NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000428676133 500542086 /nfs/dbraw/zinc/54/20/86/500542086.db2.gz AZIXRBXJDSCBLX-MRXNPFEDSA-N 1 1 358.467 3.328 20 5 FGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccc(CN2CCOCC2)c1 ZINC000420962301 500542211 /nfs/dbraw/zinc/54/22/11/500542211.db2.gz JXQMCDGVGBRGTN-UHFFFAOYSA-N 1 1 369.465 3.102 20 5 FGBDMO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC(OC(C)(C)C)C1 ZINC000421003328 500552347 /nfs/dbraw/zinc/55/23/47/500552347.db2.gz HDWPKWVXUUILPY-UHFFFAOYSA-N 1 1 360.414 3.423 20 5 FGBDMO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC(OC(C)(C)C)C1 ZINC000421003328 500552348 /nfs/dbraw/zinc/55/23/48/500552348.db2.gz HDWPKWVXUUILPY-UHFFFAOYSA-N 1 1 360.414 3.423 20 5 FGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C(N)=O)[C@H](C)c1ccccc1 ZINC000428860717 500566889 /nfs/dbraw/zinc/56/68/89/500566889.db2.gz MSBPNVGSRDNLMU-KUHUBIRLSA-N 1 1 371.437 3.129 20 5 FGBDMO COc1cc(CN[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1F ZINC000573528240 506207925 /nfs/dbraw/zinc/20/79/25/506207925.db2.gz YFVZZBPVFWVCSY-VQIMIIECSA-N 1 1 359.401 3.278 20 5 FGBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000437584677 500664416 /nfs/dbraw/zinc/66/44/16/500664416.db2.gz SUNOJINPKSKTOJ-QGZVFWFLSA-N 1 1 355.394 3.379 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000448275606 500742602 /nfs/dbraw/zinc/74/26/02/500742602.db2.gz LDJFWLBMXMHODL-CQSZACIVSA-N 1 1 358.442 3.174 20 5 FGBDMO Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000433900878 500761983 /nfs/dbraw/zinc/76/19/83/500761983.db2.gz KPMWGIXDQOSYFK-PBHICJAKSA-N 1 1 360.458 3.280 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H](CCO)c1ccccc1 ZINC000444236214 500822155 /nfs/dbraw/zinc/82/21/55/500822155.db2.gz GSCCJBLELRIZDZ-IBGZPJMESA-N 1 1 371.437 3.287 20 5 FGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000439174184 500866591 /nfs/dbraw/zinc/86/65/91/500866591.db2.gz VSKYIWOCTNYGMU-KGLIPLIRSA-N 1 1 351.834 3.255 20 5 FGBDMO CC[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[C@@H]1C ZINC000444656198 500874075 /nfs/dbraw/zinc/87/40/75/500874075.db2.gz CVUZONWFAIGINS-WMLDXEAASA-N 1 1 354.472 3.269 20 5 FGBDMO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc([S@](C)=O)cc1 ZINC000444688691 500879436 /nfs/dbraw/zinc/87/94/36/500879436.db2.gz KEEOPPLXVICHMT-NDHGSNPTSA-N 1 1 358.423 3.059 20 5 FGBDMO C[C@H](CCO)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccccc1 ZINC000444688446 500879831 /nfs/dbraw/zinc/87/98/31/500879831.db2.gz YULTUCPUAUUTIA-CQSZACIVSA-N 1 1 354.410 3.244 20 5 FGBDMO C[C@H](CCO)[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccccc1 ZINC000444688446 500879834 /nfs/dbraw/zinc/87/98/34/500879834.db2.gz YULTUCPUAUUTIA-CQSZACIVSA-N 1 1 354.410 3.244 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@]3(CO)Cc3ccccc3)nc2c1 ZINC000444702138 500882665 /nfs/dbraw/zinc/88/26/65/500882665.db2.gz IJOPUORBBNFDJI-HXUWFJFHSA-N 1 1 366.421 3.041 20 5 FGBDMO C[N@H+](CCCOCc1ccccc1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000439484436 500904545 /nfs/dbraw/zinc/90/45/45/500904545.db2.gz OWKQOQQEANABGI-UHFFFAOYSA-N 1 1 357.410 3.072 20 5 FGBDMO C[N@@H+](CCCOCc1ccccc1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000439484436 500904549 /nfs/dbraw/zinc/90/45/49/500904549.db2.gz OWKQOQQEANABGI-UHFFFAOYSA-N 1 1 357.410 3.072 20 5 FGBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)Cc1ccccc1[N+](=O)[O-] ZINC000582447937 506226775 /nfs/dbraw/zinc/22/67/75/506226775.db2.gz KWZJFOZNJLMEDB-IBGZPJMESA-N 1 1 354.454 3.476 20 5 FGBDMO CC[C@H](CO)[N@@H+](C)Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000449374723 500989143 /nfs/dbraw/zinc/98/91/43/500989143.db2.gz CDZPOTPCAUXZJN-QGZVFWFLSA-N 1 1 374.437 3.385 20 5 FGBDMO CC[C@H](c1ccccc1)[N@@H+](CC(C)C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000440330856 500997808 /nfs/dbraw/zinc/99/78/08/500997808.db2.gz WDCOGFAOBRYJRP-RTBURBONSA-N 1 1 360.458 3.262 20 5 FGBDMO CCO[C@@H]1CC[N@@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000449491260 501015876 /nfs/dbraw/zinc/01/58/76/501015876.db2.gz FZRDSJPKNZPYLI-SMDDNHRTSA-N 1 1 374.384 3.452 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@H](OC)[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000449493546 501017013 /nfs/dbraw/zinc/01/70/13/501017013.db2.gz FBAHNYXQQKKPED-MFKMUULPSA-N 1 1 360.357 3.062 20 5 FGBDMO Cn1nccc1[C@@H]1OCC[C@H]1C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449495108 501018069 /nfs/dbraw/zinc/01/80/69/501018069.db2.gz CCJQBOIEDVGWSB-FUHIMQAGSA-N 1 1 370.453 3.286 20 5 FGBDMO COc1ccc(CNC[C@H](C)[NH+](C)C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000449558333 501033739 /nfs/dbraw/zinc/03/37/39/501033739.db2.gz WZPIOXJJRFSVIQ-HNNXBMFYSA-N 1 1 373.453 3.222 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]CC(C)(C)C1(O)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000449737562 501072232 /nfs/dbraw/zinc/07/22/32/501072232.db2.gz SFQKUGDZTVSNOC-KRWDZBQOSA-N 1 1 372.469 3.339 20 5 FGBDMO CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000449746798 501073651 /nfs/dbraw/zinc/07/36/51/501073651.db2.gz UDZLKNUMLHBEFF-HNNXBMFYSA-N 1 1 372.425 3.090 20 5 FGBDMO COC[C@H]1CCC[N@@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CC1 ZINC000449769333 501081973 /nfs/dbraw/zinc/08/19/73/501081973.db2.gz BXLOVPUDDZVOSH-LBPRGKRZSA-N 1 1 374.384 3.453 20 5 FGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000602619521 506233214 /nfs/dbraw/zinc/23/32/14/506233214.db2.gz OOFHBGPHLNIBER-UHFFFAOYSA-N 1 1 374.359 3.385 20 5 FGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CCOC2(CCOCC2)CC1 ZINC000602619521 506233225 /nfs/dbraw/zinc/23/32/25/506233225.db2.gz OOFHBGPHLNIBER-UHFFFAOYSA-N 1 1 374.359 3.385 20 5 FGBDMO CCOC(=O)[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)Cc2ccccc21 ZINC000441125085 501091437 /nfs/dbraw/zinc/09/14/37/501091437.db2.gz MLQQFXWFKSAPDD-LJQANCHMSA-N 1 1 370.405 3.136 20 5 FGBDMO COc1cccc([C@H]2[C@H](Nc3ncc([N+](=O)[O-])c(C)n3)CC[N@H+]2C2CC2)c1 ZINC000450428525 501119478 /nfs/dbraw/zinc/11/94/78/501119478.db2.gz IKGVPEDFVQJLCW-AEFFLSMTSA-N 1 1 369.425 3.092 20 5 FGBDMO CC(C)[C@H](c1ccccc1Cl)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441396827 501133097 /nfs/dbraw/zinc/13/30/97/501133097.db2.gz DIKVAYHIEHFEHE-RHSMWYFYSA-N 1 1 366.849 3.135 20 5 FGBDMO COc1ccc(OCC[N@@H+](C[C@@H]2CCCO2)C2CCCC2)c([N+](=O)[O-])c1 ZINC000441442418 501139880 /nfs/dbraw/zinc/13/98/80/501139880.db2.gz BVEJECDYDLCONH-KRWDZBQOSA-N 1 1 364.442 3.406 20 5 FGBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000450546493 501150347 /nfs/dbraw/zinc/15/03/47/501150347.db2.gz IIGPDLZFOITNAQ-CYBMUJFWSA-N 1 1 356.426 3.072 20 5 FGBDMO C[N@@H+]1CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC000450004613 501151817 /nfs/dbraw/zinc/15/18/17/501151817.db2.gz RSJIBQQTPJDVKS-UHFFFAOYSA-N 1 1 373.453 3.035 20 5 FGBDMO C[N@H+]1CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC000450004613 501151822 /nfs/dbraw/zinc/15/18/22/501151822.db2.gz RSJIBQQTPJDVKS-UHFFFAOYSA-N 1 1 373.453 3.035 20 5 FGBDMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000450024720 501157915 /nfs/dbraw/zinc/15/79/15/501157915.db2.gz QOUCXQSPFIUOKB-GFCCVEGCSA-N 1 1 359.348 3.170 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000451003449 501238229 /nfs/dbraw/zinc/23/82/29/501238229.db2.gz LUGCMWGBICAJOQ-MRXNPFEDSA-N 1 1 354.410 3.116 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000451003449 501238230 /nfs/dbraw/zinc/23/82/30/501238230.db2.gz LUGCMWGBICAJOQ-MRXNPFEDSA-N 1 1 354.410 3.116 20 5 FGBDMO O=C(CC[N@H+]1CCC=C(c2cccnc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000451028476 501240333 /nfs/dbraw/zinc/24/03/33/501240333.db2.gz ZEDVKFMCOXAQMW-UHFFFAOYSA-N 1 1 352.394 3.108 20 5 FGBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CC/C=C\c2ccccc2)CC1 ZINC000451075496 501243583 /nfs/dbraw/zinc/24/35/83/501243583.db2.gz BJFDROVYBPIQJD-POHAHGRESA-N 1 1 365.433 3.456 20 5 FGBDMO CCc1[nH+]ccn1[C@H](C)CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000592784504 506242980 /nfs/dbraw/zinc/24/29/80/506242980.db2.gz IFFOKDIYVWBTSC-CQSZACIVSA-N 1 1 356.426 3.496 20 5 FGBDMO Cn1cc(C[NH+]2CCC([C@@H](F)c3ccccc3F)CC2)c([N+](=O)[O-])n1 ZINC000602652417 506245243 /nfs/dbraw/zinc/24/52/43/506245243.db2.gz ZEGQFDTXTFXUJV-MRXNPFEDSA-N 1 1 350.369 3.390 20 5 FGBDMO CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1(C)C ZINC000451497426 501307003 /nfs/dbraw/zinc/30/70/03/501307003.db2.gz MTZUBTIMNXYNGV-HUUCEWRRSA-N 1 1 360.414 3.327 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000451631409 501340096 /nfs/dbraw/zinc/34/00/96/501340096.db2.gz VZHKHMFPSVCANV-CVEARBPZSA-N 1 1 373.453 3.123 20 5 FGBDMO CCCOc1cccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 ZINC000453581108 501352826 /nfs/dbraw/zinc/35/28/26/501352826.db2.gz USTLDOWNGBKLMT-UHFFFAOYSA-N 1 1 356.426 3.101 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@@H]4C[C@H](O)CC[C@@H]4C3)co2)cc1 ZINC000451704762 501356142 /nfs/dbraw/zinc/35/61/42/501356142.db2.gz XQXQKXCTOUQPDN-IIDMSEBBSA-N 1 1 357.410 3.233 20 5 FGBDMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC000452734836 501553379 /nfs/dbraw/zinc/55/33/79/501553379.db2.gz WKEMGMXMSAWWPK-UHFFFAOYSA-N 1 1 367.449 3.308 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000582506770 506262632 /nfs/dbraw/zinc/26/26/32/506262632.db2.gz RPTDALAAMBYSCE-HNAYVOBHSA-N 1 1 353.422 3.296 20 5 FGBDMO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCC[C@H]1c1ccccc1 ZINC000459673658 501696803 /nfs/dbraw/zinc/69/68/03/501696803.db2.gz JJMPBICTFVBSBK-ROUUACIJSA-N 1 1 353.422 3.462 20 5 FGBDMO COCC[C@@H]1CCCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000467272329 501754434 /nfs/dbraw/zinc/75/44/34/501754434.db2.gz BBXKRQWTENHPPF-ZDUSSCGKSA-N 1 1 369.849 3.325 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)C[C@H]1C ZINC000596135165 506272877 /nfs/dbraw/zinc/27/28/77/506272877.db2.gz DEUCXEJUFOKKDV-NEPJUHHUSA-N 1 1 369.849 3.344 20 5 FGBDMO CN(C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474336178 501794924 /nfs/dbraw/zinc/79/49/24/501794924.db2.gz ZADVYUBWVOCVRG-SFHVURJKSA-N 1 1 354.410 3.333 20 5 FGBDMO C[N@H+](CC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000460352038 501799926 /nfs/dbraw/zinc/79/99/26/501799926.db2.gz UYDNMSPYEFMTBX-LJQANCHMSA-N 1 1 371.462 3.301 20 5 FGBDMO C[N@@H+](CC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000460352038 501799928 /nfs/dbraw/zinc/79/99/28/501799928.db2.gz UYDNMSPYEFMTBX-LJQANCHMSA-N 1 1 371.462 3.301 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000467700512 501848689 /nfs/dbraw/zinc/84/86/89/501848689.db2.gz LOCLSRVCLRQYOJ-NVXWUHKLSA-N 1 1 353.422 3.296 20 5 FGBDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000470938825 501862146 /nfs/dbraw/zinc/86/21/46/501862146.db2.gz ZTBBULCRNTXLMG-ZYHUDNBSSA-N 1 1 373.331 3.166 20 5 FGBDMO CSc1ccccc1C[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000470996114 501886393 /nfs/dbraw/zinc/88/63/93/501886393.db2.gz QNGRCANQVUPFHD-HNNXBMFYSA-N 1 1 362.451 3.188 20 5 FGBDMO Cc1ccc([C@@H]2CC[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)c(C)c1 ZINC000471027254 501896653 /nfs/dbraw/zinc/89/66/53/501896653.db2.gz DRMOHTAROXLNNV-MRXNPFEDSA-N 1 1 353.422 3.300 20 5 FGBDMO CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000485756965 501926251 /nfs/dbraw/zinc/92/62/51/501926251.db2.gz GZOLSTVYMOTELI-HOTGVXAUSA-N 1 1 363.458 3.367 20 5 FGBDMO CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000485756965 501926257 /nfs/dbraw/zinc/92/62/57/501926257.db2.gz GZOLSTVYMOTELI-HOTGVXAUSA-N 1 1 363.458 3.367 20 5 FGBDMO C[C@H](CCNc1ccc([N+](=O)[O-])c(C(N)=O)c1)[N@@H+](C)Cc1ccccc1 ZINC000596152877 506283051 /nfs/dbraw/zinc/28/30/51/506283051.db2.gz PZPUNQPIROJIRS-CQSZACIVSA-N 1 1 356.426 3.016 20 5 FGBDMO COc1cc(C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)ccc1[N+](=O)[O-] ZINC000485815043 501948313 /nfs/dbraw/zinc/94/83/13/501948313.db2.gz LWTKSJIGXANHNW-AWEZNQCLSA-N 1 1 367.409 3.377 20 5 FGBDMO CC(C)[C@H]1OCCC[C@@H]1Nc1nc(NCc2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000485835354 501956058 /nfs/dbraw/zinc/95/60/58/501956058.db2.gz QXWBSLWBDCZPSP-MAUKXSAKSA-N 1 1 371.441 3.034 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC000478475174 501994652 /nfs/dbraw/zinc/99/46/52/501994652.db2.gz KETHVTOQLZPHLY-STQMWFEESA-N 1 1 351.472 3.167 20 5 FGBDMO C[C@@H](CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)OCc1ccccc1 ZINC000474969286 502007623 /nfs/dbraw/zinc/00/76/23/502007623.db2.gz BMAGZRUXYHCOIZ-WMZOPIPTSA-N 1 1 370.453 3.471 20 5 FGBDMO CC[N@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)CC1CC1 ZINC000464581651 502035197 /nfs/dbraw/zinc/03/51/97/502035197.db2.gz IBQKLEREKISINV-UHFFFAOYSA-N 1 1 360.439 3.389 20 5 FGBDMO CO[C@]1(C)C[C@@H]([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000464819438 502105129 /nfs/dbraw/zinc/10/51/29/502105129.db2.gz BFRWCKAYVUCKKO-RHSMWYFYSA-N 1 1 369.849 3.322 20 5 FGBDMO CO[C@]1(C)C[C@@H]([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000464819438 502105135 /nfs/dbraw/zinc/10/51/35/502105135.db2.gz BFRWCKAYVUCKKO-RHSMWYFYSA-N 1 1 369.849 3.322 20 5 FGBDMO C[C@H]1OCC[C@]12C[N@H+](Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)CCO2 ZINC000475290766 502120388 /nfs/dbraw/zinc/12/03/88/502120388.db2.gz JKRIPFUHOPNMEJ-KUHUBIRLSA-N 1 1 358.394 3.235 20 5 FGBDMO C[C@H]1OCC[C@]12C[N@@H+](Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)CCO2 ZINC000475290766 502120392 /nfs/dbraw/zinc/12/03/92/502120392.db2.gz JKRIPFUHOPNMEJ-KUHUBIRLSA-N 1 1 358.394 3.235 20 5 FGBDMO CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475301922 502125493 /nfs/dbraw/zinc/12/54/93/502125493.db2.gz XHZFURPTSMTHLZ-QGZVFWFLSA-N 1 1 357.385 3.080 20 5 FGBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000461619730 502155227 /nfs/dbraw/zinc/15/52/27/502155227.db2.gz SPVBIUGBZBCRQL-LLVKDONJSA-N 1 1 372.263 3.208 20 5 FGBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000464977636 502162155 /nfs/dbraw/zinc/16/21/55/502162155.db2.gz NJONDNSICZARON-MRXNPFEDSA-N 1 1 371.412 3.328 20 5 FGBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000461802219 502207295 /nfs/dbraw/zinc/20/72/95/502207295.db2.gz QOELSYSCKGZSOI-HNNXBMFYSA-N 1 1 362.474 3.389 20 5 FGBDMO C[C@]1(C(N)=O)CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000475674150 502250425 /nfs/dbraw/zinc/25/04/25/502250425.db2.gz JJFGUOKNCUTIFN-KRWDZBQOSA-N 1 1 363.801 3.206 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CCCC[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000475726296 502266290 /nfs/dbraw/zinc/26/62/90/502266290.db2.gz SMAXBPDURZYYGJ-OAHLLOKOSA-N 1 1 350.415 3.157 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(N3CCC[N@H+](C4CCCC4)CC3)n2)cc1 ZINC000486932791 502308763 /nfs/dbraw/zinc/30/87/63/502308763.db2.gz WDGVRADICCSQKW-UHFFFAOYSA-N 1 1 357.414 3.100 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000462193482 502344049 /nfs/dbraw/zinc/34/40/49/502344049.db2.gz QYWVFCNMAYXIER-FZKQIMNGSA-N 1 1 373.840 3.499 20 5 FGBDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000476140518 502396392 /nfs/dbraw/zinc/39/63/92/502396392.db2.gz GPVHGGIBNCFQGF-AWEZNQCLSA-N 1 1 358.442 3.316 20 5 FGBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000462698362 502538229 /nfs/dbraw/zinc/53/82/29/502538229.db2.gz YBJCIBYKHUIPFH-HUUCEWRRSA-N 1 1 356.426 3.098 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000462757964 502559192 /nfs/dbraw/zinc/55/91/92/502559192.db2.gz CFYOJEGGSBYOPJ-JFIYKMOQSA-N 1 1 361.486 3.400 20 5 FGBDMO CNc1c(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000462757033 502559449 /nfs/dbraw/zinc/55/94/49/502559449.db2.gz ASAULSXRYZCBME-KBPBESRZSA-N 1 1 360.458 3.019 20 5 FGBDMO COCC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCC[C@H]1C ZINC000488060901 502614961 /nfs/dbraw/zinc/61/49/61/502614961.db2.gz JPSTUNJSYIXTIH-CJNGLKHVSA-N 1 1 360.414 3.282 20 5 FGBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCN2c2nc3ccccc3cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000473513751 502618026 /nfs/dbraw/zinc/61/80/26/502618026.db2.gz PJIIAQVHSFKSEE-HLLBOEOZSA-N 1 1 370.453 3.221 20 5 FGBDMO C[C@@H]1C[N@H+](C[C@H]2CCCN2c2nc3ccccc3cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000473513751 502618029 /nfs/dbraw/zinc/61/80/29/502618029.db2.gz PJIIAQVHSFKSEE-HLLBOEOZSA-N 1 1 370.453 3.221 20 5 FGBDMO COC(=O)c1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n(C)c1C ZINC000462948203 502637792 /nfs/dbraw/zinc/63/77/92/502637792.db2.gz YCSJAUWQUPEYOF-UHFFFAOYSA-N 1 1 359.426 3.439 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000462990402 502652049 /nfs/dbraw/zinc/65/20/49/502652049.db2.gz RVSAPRVHTYVXJN-SUMDDJOVSA-N 1 1 361.486 3.495 20 5 FGBDMO CNc1c(C(=O)NCc2cccc(C[N@@H+](C)C(C)C)c2)cccc1[N+](=O)[O-] ZINC000462993830 502653695 /nfs/dbraw/zinc/65/36/95/502653695.db2.gz HRSDRWQUJONLDE-UHFFFAOYSA-N 1 1 370.453 3.407 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000477059169 502665788 /nfs/dbraw/zinc/66/57/88/502665788.db2.gz SKXSVSZPBXPCLD-LJQANCHMSA-N 1 1 361.442 3.124 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@H](c4cccnc4)C3)n2)c1 ZINC000602855850 506327362 /nfs/dbraw/zinc/32/73/62/506327362.db2.gz PWYAPHMUFZLRCL-INIZCTEOSA-N 1 1 365.393 3.419 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@H](c4cccnc4)C3)n2)c1 ZINC000602855850 506327370 /nfs/dbraw/zinc/32/73/70/506327370.db2.gz PWYAPHMUFZLRCL-INIZCTEOSA-N 1 1 365.393 3.419 20 5 FGBDMO COC(=O)[C@@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H]1C ZINC000470149981 502680717 /nfs/dbraw/zinc/68/07/17/502680717.db2.gz VMVOUZUTEBYSNY-XHDPSFHLSA-N 1 1 361.423 3.102 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H]1C ZINC000470149981 502680722 /nfs/dbraw/zinc/68/07/22/502680722.db2.gz VMVOUZUTEBYSNY-XHDPSFHLSA-N 1 1 361.423 3.102 20 5 FGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(Cc2cccnc2)CC1 ZINC000470204520 502705101 /nfs/dbraw/zinc/70/51/01/502705101.db2.gz VUFBMWLXPXQIDK-ATVHPVEESA-N 1 1 352.438 3.211 20 5 FGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC2(C1)CC[NH+](C)CC2 ZINC000602878092 506334029 /nfs/dbraw/zinc/33/40/29/506334029.db2.gz ULKJPXCTOQIBFL-AWEZNQCLSA-N 1 1 371.441 3.124 20 5 FGBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)cc1 ZINC000463436324 502802113 /nfs/dbraw/zinc/80/21/13/502802113.db2.gz YHJHBSUFPPIVDJ-OAQYLSRUSA-N 1 1 354.450 3.455 20 5 FGBDMO CC(C)[C@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000599133485 506336207 /nfs/dbraw/zinc/33/62/07/506336207.db2.gz QTNCXNDEISVBGN-QGZVFWFLSA-N 1 1 356.426 3.042 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000509139226 502831069 /nfs/dbraw/zinc/83/10/69/502831069.db2.gz NVNLIIMLJWVGSC-HNNXBMFYSA-N 1 1 363.483 3.406 20 5 FGBDMO C[N@@H+](Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])n[nH]1)C1CCCCC1 ZINC000505106812 502852259 /nfs/dbraw/zinc/85/22/59/502852259.db2.gz BHKZZHWOPJHNMH-UHFFFAOYSA-N 1 1 357.414 3.335 20 5 FGBDMO COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000509426394 502899621 /nfs/dbraw/zinc/89/96/21/502899621.db2.gz RMDMGKMBXZNSSC-CQSZACIVSA-N 1 1 362.357 3.234 20 5 FGBDMO CC(C)(NC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000489203997 502900677 /nfs/dbraw/zinc/90/06/77/502900677.db2.gz KOURQKLXCNAQMQ-CQSZACIVSA-N 1 1 360.458 3.146 20 5 FGBDMO COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000489226861 502905508 /nfs/dbraw/zinc/90/55/08/502905508.db2.gz SLAIXBYVXXDWDF-OAHLLOKOSA-N 1 1 372.421 3.415 20 5 FGBDMO CC(C)[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CCc1nccs1 ZINC000501029540 502915803 /nfs/dbraw/zinc/91/58/03/502915803.db2.gz PXZHZIBRJFUFKM-UHFFFAOYSA-N 1 1 362.455 3.333 20 5 FGBDMO C[C@@H](CN1CCOCC1)[N@@H+](Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000513434880 502938738 /nfs/dbraw/zinc/93/87/38/502938738.db2.gz OERKFCWNYMSWCN-SFHVURJKSA-N 1 1 369.465 3.318 20 5 FGBDMO Cc1c(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000501227838 502962327 /nfs/dbraw/zinc/96/23/27/502962327.db2.gz LRKWHLLQZDSVGQ-NVXWUHKLSA-N 1 1 353.422 3.469 20 5 FGBDMO CC[N@@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])[C@@H]1CCOC(C)(C)C1 ZINC000593029868 506345785 /nfs/dbraw/zinc/34/57/85/506345785.db2.gz VCZNQYDKMOXCLS-OAHLLOKOSA-N 1 1 350.415 3.161 20 5 FGBDMO C[C@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[N@H+]1CCCC[C@@H]1C ZINC000513716104 503007219 /nfs/dbraw/zinc/00/72/19/503007219.db2.gz XIJKDEOUAJKDFZ-NWDGAFQWSA-N 1 1 371.384 3.189 20 5 FGBDMO CCOc1ccccc1N1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000501619100 503050789 /nfs/dbraw/zinc/05/07/89/503050789.db2.gz KSSWGHGJLXELFC-UHFFFAOYSA-N 1 1 371.437 3.195 20 5 FGBDMO C[C@@H](NC(=O)N1CC[N@H+]([C@H]2C[C@H]2C)C[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000489914081 503063808 /nfs/dbraw/zinc/06/38/08/503063808.db2.gz PCXCGKRZIVMPNO-BORJPKMPSA-N 1 1 360.458 3.028 20 5 FGBDMO CCOc1ccc(C(=O)NCCC[N@@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000497910265 503064807 /nfs/dbraw/zinc/06/48/07/503064807.db2.gz BSTGGHFJWIZJAB-UHFFFAOYSA-N 1 1 363.458 3.378 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]CCc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000514082497 503082469 /nfs/dbraw/zinc/08/24/69/503082469.db2.gz HDTUPJXMIZBEAK-SFHVURJKSA-N 1 1 354.385 3.389 20 5 FGBDMO CC(C)c1ccc(C[N@H+]2CCCC[C@@H]2CN2CCOCC2)cc1[N+](=O)[O-] ZINC000514095948 503086360 /nfs/dbraw/zinc/08/63/60/503086360.db2.gz UFRLXUDNJSUAPS-GOSISDBHSA-N 1 1 361.486 3.405 20 5 FGBDMO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000510545163 503140067 /nfs/dbraw/zinc/14/00/67/503140067.db2.gz KKUGYCCNQYHCQO-FZKQIMNGSA-N 1 1 357.410 3.030 20 5 FGBDMO COC(=O)[C@]12C[N@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C[C@H]1CCCC2 ZINC000510611430 503155204 /nfs/dbraw/zinc/15/52/04/503155204.db2.gz AWLKCZBQTAKUJT-PIGZYNQJSA-N 1 1 354.353 3.038 20 5 FGBDMO COC(=O)[C@]12C[N@@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C[C@H]1CCCC2 ZINC000510611430 503155205 /nfs/dbraw/zinc/15/52/05/503155205.db2.gz AWLKCZBQTAKUJT-PIGZYNQJSA-N 1 1 354.353 3.038 20 5 FGBDMO C[C@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)[N@H+]1CCCC[C@H]1C ZINC000510875794 503208886 /nfs/dbraw/zinc/20/88/86/503208886.db2.gz FNSPBSIMLPIWDG-HZPDHXFCSA-N 1 1 362.474 3.042 20 5 FGBDMO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511071969 503246743 /nfs/dbraw/zinc/24/67/43/503246743.db2.gz CAJZZXGBJQXCFF-OAHLLOKOSA-N 1 1 373.428 3.255 20 5 FGBDMO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511071969 503246746 /nfs/dbraw/zinc/24/67/46/503246746.db2.gz CAJZZXGBJQXCFF-OAHLLOKOSA-N 1 1 373.428 3.255 20 5 FGBDMO C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511081987 503250095 /nfs/dbraw/zinc/25/00/95/503250095.db2.gz PRZDHELQRGUESP-AWEZNQCLSA-N 1 1 373.478 3.104 20 5 FGBDMO C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511081987 503250098 /nfs/dbraw/zinc/25/00/98/503250098.db2.gz PRZDHELQRGUESP-AWEZNQCLSA-N 1 1 373.478 3.104 20 5 FGBDMO C[C@H](C(=O)N1CCc2ccccc2C1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511135761 503265845 /nfs/dbraw/zinc/26/58/45/503265845.db2.gz HSTOOVRRUPSXRG-MRXNPFEDSA-N 1 1 367.449 3.043 20 5 FGBDMO C[C@H](C(=O)N1CCc2ccccc2C1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511135761 503265847 /nfs/dbraw/zinc/26/58/47/503265847.db2.gz HSTOOVRRUPSXRG-MRXNPFEDSA-N 1 1 367.449 3.043 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000507301574 503273278 /nfs/dbraw/zinc/27/32/78/503273278.db2.gz KLLXMWMJDYQNFR-MLGOLLRUSA-N 1 1 363.483 3.309 20 5 FGBDMO COc1cc(C[N@H+](C)C[C@@H]2CCCCO2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491137121 503278111 /nfs/dbraw/zinc/27/81/11/503278111.db2.gz PUXOKHMNMQLWIV-ZDUSSCGKSA-N 1 1 374.384 3.248 20 5 FGBDMO COc1cc(C[N@@H+](C)C[C@@H]2CCCCO2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491137121 503278115 /nfs/dbraw/zinc/27/81/15/503278115.db2.gz PUXOKHMNMQLWIV-ZDUSSCGKSA-N 1 1 374.384 3.248 20 5 FGBDMO C[C@@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511252044 503288065 /nfs/dbraw/zinc/28/80/65/503288065.db2.gz KJIYDUDOGDONIN-ZIAGYGMSSA-N 1 1 370.453 3.459 20 5 FGBDMO Cc1ccccc1[C@]1(F)CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000502890537 503300325 /nfs/dbraw/zinc/30/03/25/503300325.db2.gz BUJBSPXUGZRLCX-JXFKEZNVSA-N 1 1 374.412 3.214 20 5 FGBDMO Cc1ccccc1[C@]1(F)CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000502890537 503300330 /nfs/dbraw/zinc/30/03/30/503300330.db2.gz BUJBSPXUGZRLCX-JXFKEZNVSA-N 1 1 374.412 3.214 20 5 FGBDMO CC[N@@H+](CCC(=O)OC)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000511521106 503336360 /nfs/dbraw/zinc/33/63/60/503336360.db2.gz GPFVSKILPCBWBP-UHFFFAOYSA-N 1 1 362.382 3.248 20 5 FGBDMO COc1ccc(Cl)c(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 ZINC000602961760 506367078 /nfs/dbraw/zinc/36/70/78/506367078.db2.gz CKEIPMNNTABTAU-QGZVFWFLSA-N 1 1 350.802 3.254 20 5 FGBDMO Cc1nn(C)c(NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000511647032 503360491 /nfs/dbraw/zinc/36/04/91/503360491.db2.gz OLWVWSFYLNUTCA-WMLDXEAASA-N 1 1 357.458 3.349 20 5 FGBDMO C[C@@H]1C[N@H+](C[C@H]2CCCN2Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000493519869 503431186 /nfs/dbraw/zinc/43/11/86/503431186.db2.gz DXSIMCFXHQUACJ-QLFBSQMISA-N 1 1 367.877 3.322 20 5 FGBDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000493519871 503431623 /nfs/dbraw/zinc/43/16/23/503431623.db2.gz DXSIMCFXHQUACJ-ZNMIVQPWSA-N 1 1 367.877 3.322 20 5 FGBDMO C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1Cc1ccccc1 ZINC000494026661 503476084 /nfs/dbraw/zinc/47/60/84/503476084.db2.gz JIDJNISLGDWXOU-FZKQIMNGSA-N 1 1 357.385 3.127 20 5 FGBDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000508376493 503484955 /nfs/dbraw/zinc/48/49/55/503484955.db2.gz PQYAECMSWKMJQP-LSDHHAIUSA-N 1 1 353.422 3.355 20 5 FGBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000508376493 503484959 /nfs/dbraw/zinc/48/49/59/503484959.db2.gz PQYAECMSWKMJQP-LSDHHAIUSA-N 1 1 353.422 3.355 20 5 FGBDMO C/C(=C\c1ccccc1)C[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000494233173 503508201 /nfs/dbraw/zinc/50/82/01/503508201.db2.gz GRTJPHFSUMVIPU-SKTWIKFTSA-N 1 1 356.422 3.370 20 5 FGBDMO CCO[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000500075399 503546237 /nfs/dbraw/zinc/54/62/37/503546237.db2.gz PIIGCSGDFLQESH-IRXDYDNUSA-N 1 1 361.442 3.203 20 5 FGBDMO Cc1c(NC(=O)CC[N@@H+]2CCCCC[C@H]2C[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000512427470 503546681 /nfs/dbraw/zinc/54/66/81/503546681.db2.gz LZAKHTBEBLSTCL-ZBFHGGJFSA-N 1 1 363.458 3.247 20 5 FGBDMO Cn1cccc1[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500103004 503554528 /nfs/dbraw/zinc/55/45/28/503554528.db2.gz GULPMOOTSNEUQG-GOSISDBHSA-N 1 1 356.426 3.489 20 5 FGBDMO C[C@]1(c2ccccc2)CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000500228603 503583368 /nfs/dbraw/zinc/58/33/68/503583368.db2.gz KDKVFFGUEWYQHA-FQEVSTJZSA-N 1 1 353.422 3.247 20 5 FGBDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000500441596 503626394 /nfs/dbraw/zinc/62/63/94/503626394.db2.gz OKMXPVZHCZXJAJ-JKSUJKDBSA-N 1 1 353.422 3.330 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000500441596 503626399 /nfs/dbraw/zinc/62/63/99/503626399.db2.gz OKMXPVZHCZXJAJ-JKSUJKDBSA-N 1 1 353.422 3.330 20 5 FGBDMO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ccncc1OC[C@H]1CCOC1 ZINC000517246397 503692960 /nfs/dbraw/zinc/69/29/60/503692960.db2.gz UWAXOYLDSSRACB-KBXCAEBGSA-N 1 1 369.421 3.182 20 5 FGBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](c3ccc(C)cc3)C2)c([N+](=O)[O-])c1 ZINC000543245434 503696524 /nfs/dbraw/zinc/69/65/24/503696524.db2.gz PMAOYVBJBAQQLL-INIZCTEOSA-N 1 1 369.421 3.340 20 5 FGBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@H](c3ccc(C)cc3)C2)c([N+](=O)[O-])c1 ZINC000543245434 503696527 /nfs/dbraw/zinc/69/65/27/503696527.db2.gz PMAOYVBJBAQQLL-INIZCTEOSA-N 1 1 369.421 3.340 20 5 FGBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccccc1F ZINC000533243205 503773049 /nfs/dbraw/zinc/77/30/49/503773049.db2.gz KPXWJDHDQZURIX-UHFFFAOYSA-N 1 1 359.357 3.164 20 5 FGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000533246630 503774293 /nfs/dbraw/zinc/77/42/93/503774293.db2.gz QCTRJAGIPWFUIW-INIZCTEOSA-N 1 1 368.437 3.134 20 5 FGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCCN(c2ccccc2)CC1 ZINC000533246630 503774298 /nfs/dbraw/zinc/77/42/98/503774298.db2.gz QCTRJAGIPWFUIW-INIZCTEOSA-N 1 1 368.437 3.134 20 5 FGBDMO COc1ccccc1[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000533288446 503794122 /nfs/dbraw/zinc/79/41/22/503794122.db2.gz JIKVYHKXQYYIMK-CABCVRRESA-N 1 1 369.421 3.420 20 5 FGBDMO COc1ccccc1[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000533288446 503794125 /nfs/dbraw/zinc/79/41/25/503794125.db2.gz JIKVYHKXQYYIMK-CABCVRRESA-N 1 1 369.421 3.420 20 5 FGBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000540511458 503800974 /nfs/dbraw/zinc/80/09/74/503800974.db2.gz FNNBRTAQHAAECD-CQSZACIVSA-N 1 1 363.458 3.234 20 5 FGBDMO C[C@@H](NC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000537097385 503801925 /nfs/dbraw/zinc/80/19/25/503801925.db2.gz MSHBCYSORROUNQ-ZBFHGGJFSA-N 1 1 360.458 3.029 20 5 FGBDMO C[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000543648076 503840766 /nfs/dbraw/zinc/84/07/66/503840766.db2.gz RUMJXVVEECDKHH-UKRRQHHQSA-N 1 1 363.433 3.028 20 5 FGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000533431088 503842422 /nfs/dbraw/zinc/84/24/22/503842422.db2.gz OCCCHLZOQZUXCZ-RDJZCZTQSA-N 1 1 353.422 3.486 20 5 FGBDMO CC(C)NC(=O)c1ccc(N[C@@H]2C[N@H+](C)Cc3ccccc32)c([N+](=O)[O-])c1 ZINC000533818720 503962247 /nfs/dbraw/zinc/96/22/47/503962247.db2.gz HCNJWICJCBOKEC-GOSISDBHSA-N 1 1 368.437 3.332 20 5 FGBDMO CC(C)NC(=O)c1ccc(N[C@@H]2C[N@@H+](C)Cc3ccccc32)c([N+](=O)[O-])c1 ZINC000533818720 503962251 /nfs/dbraw/zinc/96/22/51/503962251.db2.gz HCNJWICJCBOKEC-GOSISDBHSA-N 1 1 368.437 3.332 20 5 FGBDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000533830909 503964505 /nfs/dbraw/zinc/96/45/05/503964505.db2.gz MGYUFJOPHZOIQT-GOSISDBHSA-N 1 1 366.421 3.086 20 5 FGBDMO O=[N+]([O-])c1cc2ccccc2nc1N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000530436873 503964480 /nfs/dbraw/zinc/96/44/80/503964480.db2.gz WPTXMDWSJGEUSD-IRXDYDNUSA-N 1 1 356.426 3.198 20 5 FGBDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000533830909 503964511 /nfs/dbraw/zinc/96/45/11/503964511.db2.gz MGYUFJOPHZOIQT-GOSISDBHSA-N 1 1 366.421 3.086 20 5 FGBDMO COC(=O)COc1ccc(C[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)cc1[N+](=O)[O-] ZINC000530441410 503965528 /nfs/dbraw/zinc/96/55/28/503965528.db2.gz QHENEKUWLYALKV-IUODEOHRSA-N 1 1 374.393 3.153 20 5 FGBDMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3csc([N+](=O)[O-])c3)sc2C1 ZINC000544055935 503989187 /nfs/dbraw/zinc/98/91/87/503989187.db2.gz NAYDIWUCSNMZAO-UHFFFAOYSA-N 1 1 352.441 3.132 20 5 FGBDMO CC(C)[N@H+]1CCc2nc(NC(=O)c3csc([N+](=O)[O-])c3)sc2C1 ZINC000544055935 503989190 /nfs/dbraw/zinc/98/91/90/503989190.db2.gz NAYDIWUCSNMZAO-UHFFFAOYSA-N 1 1 352.441 3.132 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+](C)C[C@@H]2CCOC2)cc1OC ZINC000541057266 503989172 /nfs/dbraw/zinc/98/91/72/503989172.db2.gz FICSKFDAOHNDEG-GJZGRUSLSA-N 1 1 366.458 3.497 20 5 FGBDMO CCc1ccc([C@@H]([NH2+]CCc2cnccn2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000530518617 503996024 /nfs/dbraw/zinc/99/60/24/503996024.db2.gz WDPRQZFIJBJSII-IBGZPJMESA-N 1 1 352.394 3.462 20 5 FGBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000544197072 504043955 /nfs/dbraw/zinc/04/39/55/504043955.db2.gz WOWZCNNYKOCFNQ-GFCCVEGCSA-N 1 1 371.890 3.188 20 5 FGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(Cc2cccnc2)CC1 ZINC000537842230 504061121 /nfs/dbraw/zinc/06/11/21/504061121.db2.gz XUCDMAQMUNGZIS-OAHLLOKOSA-N 1 1 368.437 3.272 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[C@H]1c1ccccc1 ZINC000534261095 504087729 /nfs/dbraw/zinc/08/77/29/504087729.db2.gz ZLHSLXLZEKWOIR-VQIMIIECSA-N 1 1 364.405 3.251 20 5 FGBDMO CCC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000538333987 504211251 /nfs/dbraw/zinc/21/12/51/504211251.db2.gz HSPJDSXFKWEMPZ-SFHVURJKSA-N 1 1 368.437 3.117 20 5 FGBDMO CCC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)CC[N@H+]1Cc1ccccc1 ZINC000538333987 504211256 /nfs/dbraw/zinc/21/12/56/504211256.db2.gz HSPJDSXFKWEMPZ-SFHVURJKSA-N 1 1 368.437 3.117 20 5 FGBDMO O=C([C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000519614460 504273897 /nfs/dbraw/zinc/27/38/97/504273897.db2.gz PZVOIHGILQQWQZ-QGZVFWFLSA-N 1 1 351.406 3.006 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000541887034 504291559 /nfs/dbraw/zinc/29/15/59/504291559.db2.gz QLUGSOQVTJOWTP-ZDUSSCGKSA-N 1 1 351.472 3.169 20 5 FGBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000534982527 504302286 /nfs/dbraw/zinc/30/22/86/504302286.db2.gz GDBSTHXINABOFT-CQSZACIVSA-N 1 1 358.442 3.318 20 5 FGBDMO CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000548088362 504324636 /nfs/dbraw/zinc/32/46/36/504324636.db2.gz SUGVCUXZMQSTRT-CQSZACIVSA-N 1 1 361.377 3.189 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000519821782 504352961 /nfs/dbraw/zinc/35/29/61/504352961.db2.gz QRXVVBOCLNETJY-FQEVSTJZSA-N 1 1 353.422 3.298 20 5 FGBDMO Cc1ccccc1[C@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000542279508 504436744 /nfs/dbraw/zinc/43/67/44/504436744.db2.gz HDLJIXWOFWJYJS-DLBZAZTESA-N 1 1 356.422 3.132 20 5 FGBDMO CN(C(=O)NCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000531886712 504460077 /nfs/dbraw/zinc/46/00/77/504460077.db2.gz JRWYPKLJXDYVNG-LJQANCHMSA-N 1 1 368.437 3.011 20 5 FGBDMO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)cc1 ZINC000542494410 504512307 /nfs/dbraw/zinc/51/23/07/504512307.db2.gz JFLJXTZXZQVPSY-IBGZPJMESA-N 1 1 368.368 3.282 20 5 FGBDMO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000532045797 504515581 /nfs/dbraw/zinc/51/55/81/504515581.db2.gz RRNFVPKWXZVELW-GFCCVEGCSA-N 1 1 353.394 3.053 20 5 FGBDMO Cc1c(Br)c(N2CCC(c3[nH]cc[nH+]3)CC2)ncc1[N+](=O)[O-] ZINC000542506125 504518107 /nfs/dbraw/zinc/51/81/07/504518107.db2.gz IFFOXZKKUWBBQZ-UHFFFAOYSA-N 1 1 366.219 3.168 20 5 FGBDMO C[C@@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[N@H+]1CCCC[C@H]1C ZINC000542539576 504533083 /nfs/dbraw/zinc/53/30/83/504533083.db2.gz UROOXGCJNIWKJH-RDBSUJKOSA-N 1 1 351.422 3.217 20 5 FGBDMO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000542665708 504570815 /nfs/dbraw/zinc/57/08/15/504570815.db2.gz PSCXIZJFJGEARO-QGZVFWFLSA-N 1 1 366.414 3.249 20 5 FGBDMO CC1=CC[N@@H+](CCNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000545869519 504621151 /nfs/dbraw/zinc/62/11/51/504621151.db2.gz IZYHQLAWQRRFSM-UHFFFAOYSA-N 1 1 372.450 3.100 20 5 FGBDMO C[N@@H+](CCC(=O)N1CCc2ccccc2C1)CCc1cccc([N+](=O)[O-])c1 ZINC000548935653 504628646 /nfs/dbraw/zinc/62/86/46/504628646.db2.gz QWVKRZFKGJYOEN-UHFFFAOYSA-N 1 1 367.449 3.044 20 5 FGBDMO CCOC(=O)C1CCC([N@@H+](CC)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000548939093 504629428 /nfs/dbraw/zinc/62/94/28/504629428.db2.gz XZUAFDZNBGEBGE-UHFFFAOYSA-N 1 1 364.442 3.417 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000542882858 504646055 /nfs/dbraw/zinc/64/60/55/504646055.db2.gz HQMPTJMUONQMAY-IFXJQAMLSA-N 1 1 361.442 3.444 20 5 FGBDMO C[C@@H]1C[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@H]2CCCC[C@H]12 ZINC000542974835 504679558 /nfs/dbraw/zinc/67/95/58/504679558.db2.gz LIUTWNVJYNMALF-BMFZPTHFSA-N 1 1 359.426 3.403 20 5 FGBDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000532571782 504695815 /nfs/dbraw/zinc/69/58/15/504695815.db2.gz DPYZNUCISHMWSB-CRAIPNDOSA-N 1 1 365.433 3.362 20 5 FGBDMO CCOc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000549158638 504706398 /nfs/dbraw/zinc/70/63/98/504706398.db2.gz KLDKMYKVVGBMLA-OAHLLOKOSA-N 1 1 371.437 3.495 20 5 FGBDMO CCOc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000549158638 504706401 /nfs/dbraw/zinc/70/64/01/504706401.db2.gz KLDKMYKVVGBMLA-OAHLLOKOSA-N 1 1 371.437 3.495 20 5 FGBDMO C[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]2CCCC[C@H]12 ZINC000543139228 504738921 /nfs/dbraw/zinc/73/89/21/504738921.db2.gz BZZCWOOSXKMZEJ-OLMNPRSZSA-N 1 1 366.483 3.269 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](C)C3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000540043309 504764390 /nfs/dbraw/zinc/76/43/90/504764390.db2.gz WOJCUDHKGSETEI-AWEZNQCLSA-N 1 1 361.442 3.444 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](C)C3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000540043309 504764392 /nfs/dbraw/zinc/76/43/92/504764392.db2.gz WOJCUDHKGSETEI-AWEZNQCLSA-N 1 1 361.442 3.444 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)C3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000540043310 504764505 /nfs/dbraw/zinc/76/45/05/504764505.db2.gz WOJCUDHKGSETEI-CQSZACIVSA-N 1 1 361.442 3.444 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](C)C3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000540043310 504764507 /nfs/dbraw/zinc/76/45/07/504764507.db2.gz WOJCUDHKGSETEI-CQSZACIVSA-N 1 1 361.442 3.444 20 5 FGBDMO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000565632060 504942049 /nfs/dbraw/zinc/94/20/49/504942049.db2.gz SCTKXAMYHLGOQH-KRWDZBQOSA-N 1 1 368.437 3.022 20 5 FGBDMO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000565737232 504973312 /nfs/dbraw/zinc/97/33/12/504973312.db2.gz KNXWTPRAJGZUCK-HNAYVOBHSA-N 1 1 353.422 3.296 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC=C(c4cccnc4)C3)o2)cc1 ZINC000562901899 504980387 /nfs/dbraw/zinc/98/03/87/504980387.db2.gz VHEOQTBXBAQJNI-UHFFFAOYSA-N 1 1 363.377 3.329 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC=C(c4cccnc4)C3)o2)cc1 ZINC000562901899 504980390 /nfs/dbraw/zinc/98/03/90/504980390.db2.gz VHEOQTBXBAQJNI-UHFFFAOYSA-N 1 1 363.377 3.329 20 5 FGBDMO C[C@H](C(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000560238738 505025646 /nfs/dbraw/zinc/02/56/46/505025646.db2.gz UFUBULZOJPPUNG-OXJNMPFZSA-N 1 1 367.449 3.084 20 5 FGBDMO C[C@H](C(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000560238738 505025647 /nfs/dbraw/zinc/02/56/47/505025647.db2.gz UFUBULZOJPPUNG-OXJNMPFZSA-N 1 1 367.449 3.084 20 5 FGBDMO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000565953873 505037318 /nfs/dbraw/zinc/03/73/18/505037318.db2.gz VMMAHXPBXIHQQO-MRXNPFEDSA-N 1 1 368.437 3.487 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000557570829 505170659 /nfs/dbraw/zinc/17/06/59/505170659.db2.gz ZXNBYNOFIJLTDR-OLZOCXBDSA-N 1 1 351.472 3.260 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000557570829 505170662 /nfs/dbraw/zinc/17/06/62/505170662.db2.gz ZXNBYNOFIJLTDR-OLZOCXBDSA-N 1 1 351.472 3.260 20 5 FGBDMO Cn1cc([C@@H]2C[N@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)CC2(C)C)cn1 ZINC000566427533 505173421 /nfs/dbraw/zinc/17/34/21/505173421.db2.gz XDNWFXKDZZZHHJ-AWEZNQCLSA-N 1 1 350.369 3.232 20 5 FGBDMO Cn1cc([C@@H]2C[N@@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)CC2(C)C)cn1 ZINC000566427533 505173423 /nfs/dbraw/zinc/17/34/23/505173423.db2.gz XDNWFXKDZZZHHJ-AWEZNQCLSA-N 1 1 350.369 3.232 20 5 FGBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000557744370 505219154 /nfs/dbraw/zinc/21/91/54/505219154.db2.gz RQMOBZXJBUSAPP-ZDUSSCGKSA-N 1 1 359.348 3.218 20 5 FGBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000557745228 505220167 /nfs/dbraw/zinc/22/01/67/505220167.db2.gz NJZJYJSWVYNSQR-HIFRSBDPSA-N 1 1 351.472 3.066 20 5 FGBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000563727143 505222671 /nfs/dbraw/zinc/22/26/71/505222671.db2.gz ZRWHHAHEKZWMLF-OCCSQVGLSA-N 1 1 369.849 3.006 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000554835551 505276231 /nfs/dbraw/zinc/27/62/31/505276231.db2.gz UQGGHESNHBGPAF-LBPRGKRZSA-N 1 1 362.817 3.145 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000554835551 505276234 /nfs/dbraw/zinc/27/62/34/505276234.db2.gz UQGGHESNHBGPAF-LBPRGKRZSA-N 1 1 362.817 3.145 20 5 FGBDMO C[C@@H](O)C[N@@H+](C)C1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000561209262 505281841 /nfs/dbraw/zinc/28/18/41/505281841.db2.gz VFSKNEDBGXZUSR-SNVBAGLBSA-N 1 1 362.257 3.183 20 5 FGBDMO COC(=O)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)nc1C1CC1 ZINC000554879501 505287785 /nfs/dbraw/zinc/28/77/85/505287785.db2.gz VIKLPQPZRYJDIW-UHFFFAOYSA-N 1 1 355.394 3.252 20 5 FGBDMO C[C@@H](c1ncc(Br)cn1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000558106243 505309842 /nfs/dbraw/zinc/30/98/42/505309842.db2.gz LXROTEOIVDIWLE-NSHDSACASA-N 1 1 365.231 3.383 20 5 FGBDMO C[C@@H](c1ncc(Br)cn1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000558106243 505309843 /nfs/dbraw/zinc/30/98/43/505309843.db2.gz LXROTEOIVDIWLE-NSHDSACASA-N 1 1 365.231 3.383 20 5 FGBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000564057045 505313612 /nfs/dbraw/zinc/31/36/12/505313612.db2.gz HINUOSFTZYEBQG-SFHVURJKSA-N 1 1 353.422 3.161 20 5 FGBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000564057045 505313617 /nfs/dbraw/zinc/31/36/17/505313617.db2.gz HINUOSFTZYEBQG-SFHVURJKSA-N 1 1 353.422 3.161 20 5 FGBDMO COC1(C[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000552068429 505388687 /nfs/dbraw/zinc/38/86/87/505388687.db2.gz XBKXKXKFOORSNR-KRWDZBQOSA-N 1 1 358.442 3.357 20 5 FGBDMO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000552071449 505390022 /nfs/dbraw/zinc/39/00/22/505390022.db2.gz GDOHZKVFCZFFNF-INIZCTEOSA-N 1 1 355.438 3.397 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000552071449 505390025 /nfs/dbraw/zinc/39/00/25/505390025.db2.gz GDOHZKVFCZFFNF-INIZCTEOSA-N 1 1 355.438 3.397 20 5 FGBDMO C[C@@H](Cc1ccccc1C(F)(F)F)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000561899538 505462632 /nfs/dbraw/zinc/46/26/32/505462632.db2.gz QZQCAAGHNFYEAM-NSHDSACASA-N 1 1 356.348 3.410 20 5 FGBDMO C[C@@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000561899538 505462635 /nfs/dbraw/zinc/46/26/35/505462635.db2.gz QZQCAAGHNFYEAM-NSHDSACASA-N 1 1 356.348 3.410 20 5 FGBDMO O=C(C[N@@H+]1CC[C@H](c2ccccc2F)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000555583004 505463175 /nfs/dbraw/zinc/46/31/75/505463175.db2.gz LZFRVIBEMGBRBK-HNNXBMFYSA-N 1 1 369.396 3.113 20 5 FGBDMO O=C(C[N@H+]1CC[C@H](c2ccccc2F)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000555583004 505463179 /nfs/dbraw/zinc/46/31/79/505463179.db2.gz LZFRVIBEMGBRBK-HNNXBMFYSA-N 1 1 369.396 3.113 20 5 FGBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000552381282 505477473 /nfs/dbraw/zinc/47/74/73/505477473.db2.gz FZBYUDVNCMJBDL-LBPRGKRZSA-N 1 1 359.348 3.218 20 5 FGBDMO C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558740125 505478569 /nfs/dbraw/zinc/47/85/69/505478569.db2.gz VQYPAQMIQFOPDT-CQSZACIVSA-N 1 1 373.478 3.104 20 5 FGBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000582764995 506405346 /nfs/dbraw/zinc/40/53/46/506405346.db2.gz ICRSTCQSFZUBBN-LLVKDONJSA-N 1 1 355.822 3.177 20 5 FGBDMO COC(=O)Cc1ccc(N[C@H]2CC[N@H+](C3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000596478035 506426882 /nfs/dbraw/zinc/42/68/82/506426882.db2.gz DMPDNDZUJUHMSI-HNNXBMFYSA-N 1 1 361.442 3.129 20 5 FGBDMO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000596499775 506434709 /nfs/dbraw/zinc/43/47/09/506434709.db2.gz WHTMFGWTDPFHEG-ZDUSSCGKSA-N 1 1 366.849 3.492 20 5 FGBDMO C[NH+](C)Cc1cc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)ccn1 ZINC000603141067 506434791 /nfs/dbraw/zinc/43/47/91/506434791.db2.gz AVXPYJJPOURASC-UHFFFAOYSA-N 1 1 369.425 3.248 20 5 FGBDMO O=c1[nH]ccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1[N+](=O)[O-] ZINC000596527008 506447884 /nfs/dbraw/zinc/44/78/84/506447884.db2.gz SNIGAJPWPJXPOG-INIZCTEOSA-N 1 1 368.437 3.410 20 5 FGBDMO CC(C)C[N@@H+](C)CCCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000593203779 506462550 /nfs/dbraw/zinc/46/25/50/506462550.db2.gz HFTZUZODIXTBBV-UHFFFAOYSA-N 1 1 361.364 3.321 20 5 FGBDMO Cc1cc(C)c(Cn2cc(COc3ccc([N+](=O)[O-])cc3)nn2)c(C)[nH+]1 ZINC000603259799 506470067 /nfs/dbraw/zinc/47/00/67/506470067.db2.gz IZOQBECMESIAIV-UHFFFAOYSA-N 1 1 353.382 3.134 20 5 FGBDMO C[C@H]1C[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H](C)C1(F)F ZINC000599511620 506480161 /nfs/dbraw/zinc/48/01/61/506480161.db2.gz BHYLUSKTGONXAA-QWRGUYRKSA-N 1 1 352.341 3.368 20 5 FGBDMO Cc1noc(CN2CC[N@@H+](Cc3ccccc3)[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000599550690 506495548 /nfs/dbraw/zinc/49/55/48/506495548.db2.gz YCFXBWNQGALSSB-KRWDZBQOSA-N 1 1 358.442 3.234 20 5 FGBDMO CC1(C)[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C[C@H]1[NH+]1CCOCC1 ZINC000603397064 506503229 /nfs/dbraw/zinc/50/32/29/506503229.db2.gz JPPJEKHOVGOPJX-QZTJIDSGSA-N 1 1 356.426 3.054 20 5 FGBDMO CC1(C)[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C[C@@H]1[NH+]1CCOCC1 ZINC000603397063 506503358 /nfs/dbraw/zinc/50/33/58/506503358.db2.gz JPPJEKHOVGOPJX-MSOLQXFVSA-N 1 1 356.426 3.054 20 5 FGBDMO CSc1cccc(C(=O)N2CCC[N@@H+](CC3CCC3)CC2)c1[N+](=O)[O-] ZINC000582950873 506505561 /nfs/dbraw/zinc/50/55/61/506505561.db2.gz XAHUMAGWIPPJRR-UHFFFAOYSA-N 1 1 363.483 3.265 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599585475 506512604 /nfs/dbraw/zinc/51/26/04/506512604.db2.gz ZLMRTYDYKIDONQ-BBRMVZONSA-N 1 1 364.442 3.403 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599585475 506512610 /nfs/dbraw/zinc/51/26/10/506512610.db2.gz ZLMRTYDYKIDONQ-BBRMVZONSA-N 1 1 364.442 3.403 20 5 FGBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000603458565 506520509 /nfs/dbraw/zinc/52/05/09/506520509.db2.gz UURLLIJTIIWTHP-QGZVFWFLSA-N 1 1 374.485 3.045 20 5 FGBDMO COc1cccc([N+](=O)[O-])c1NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000582990449 506527164 /nfs/dbraw/zinc/52/71/64/506527164.db2.gz IIQVIGHXKIOPFO-KRWDZBQOSA-N 1 1 371.437 3.172 20 5 FGBDMO Cc1ccc([C@@H](C)NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000599636784 506543002 /nfs/dbraw/zinc/54/30/02/506543002.db2.gz OJYCSPYGGWGLDY-AYOQOUSVSA-N 1 1 367.449 3.426 20 5 FGBDMO CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589495406 506569099 /nfs/dbraw/zinc/56/90/99/506569099.db2.gz YFKUPONSMVUGRM-UHFFFAOYSA-N 1 1 372.377 3.132 20 5 FGBDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589495406 506569108 /nfs/dbraw/zinc/56/91/08/506569108.db2.gz YFKUPONSMVUGRM-UHFFFAOYSA-N 1 1 372.377 3.132 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)CCc2ccccc2OC)c1 ZINC000589498543 506570424 /nfs/dbraw/zinc/57/04/24/506570424.db2.gz CFJITMBKKQLQPW-UHFFFAOYSA-N 1 1 358.394 3.065 20 5 FGBDMO Cc1c(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000603602012 506572601 /nfs/dbraw/zinc/57/26/01/506572601.db2.gz YDAGZJFYKUUZHH-KRWDZBQOSA-N 1 1 353.422 3.298 20 5 FGBDMO CCC1(CC)C[N@@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CCS1 ZINC000589511944 506574177 /nfs/dbraw/zinc/57/41/77/506574177.db2.gz NYBHJYXYOJPVQS-UHFFFAOYSA-N 1 1 352.456 3.489 20 5 FGBDMO CC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccccc1C ZINC000603629579 506581457 /nfs/dbraw/zinc/58/14/57/506581457.db2.gz RVELRJNJDPLZJB-UHFFFAOYSA-N 1 1 353.422 3.314 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](c2ccc(OC)nc2)C2CC2)c1 ZINC000599702917 506591332 /nfs/dbraw/zinc/59/13/32/506591332.db2.gz LRKVEZLRGVUQIA-SFHVURJKSA-N 1 1 371.393 3.026 20 5 FGBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599702197 506591580 /nfs/dbraw/zinc/59/15/80/506591580.db2.gz NUFKBYKVCYYMEN-CYBMUJFWSA-N 1 1 352.822 3.387 20 5 FGBDMO C[C@H](c1cc(F)ccc1F)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000603840673 506630906 /nfs/dbraw/zinc/63/09/06/506630906.db2.gz QQCVNKKLZKPOEX-IUODEOHRSA-N 1 1 366.364 3.306 20 5 FGBDMO C[C@H](c1cc(F)ccc1F)[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000603840673 506630913 /nfs/dbraw/zinc/63/09/13/506630913.db2.gz QQCVNKKLZKPOEX-IUODEOHRSA-N 1 1 366.364 3.306 20 5 FGBDMO C[N@@H+](CCCCNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)C1CC1 ZINC000599840430 506672174 /nfs/dbraw/zinc/67/21/74/506672174.db2.gz SXMYERCURROSPH-UHFFFAOYSA-N 1 1 357.414 3.139 20 5 FGBDMO C[N@H+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])[C@H](Cc2ccccc2)C1 ZINC000593679914 506726861 /nfs/dbraw/zinc/72/68/61/506726861.db2.gz QUQCVJJRQOWMEI-RVPHRTOXSA-N 1 1 351.450 3.467 20 5 FGBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+]([C@H]2CCc3ccccc32)CC1 ZINC000590204889 506762954 /nfs/dbraw/zinc/76/29/54/506762954.db2.gz IYPJRMCHTRXQPK-SFHVURJKSA-N 1 1 351.406 3.040 20 5 FGBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000593772470 506770312 /nfs/dbraw/zinc/77/03/12/506770312.db2.gz QIQUZWXVSHAJMK-QLFBSQMISA-N 1 1 356.426 3.046 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+](Cc2ccccc2F)CC2CC2)c1 ZINC000604291632 506773903 /nfs/dbraw/zinc/77/39/03/506773903.db2.gz FCBMXBRROYEUDJ-SFHVURJKSA-N 1 1 374.412 3.386 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)[C@@H](C)C1 ZINC000597099873 506774238 /nfs/dbraw/zinc/77/42/38/506774238.db2.gz FREJLBOAOYOZLY-GWCFXTLKSA-N 1 1 369.853 3.024 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCc3ccc(O)cc3CC2)cccc1[N+](=O)[O-] ZINC000609133298 506786714 /nfs/dbraw/zinc/78/67/14/506786714.db2.gz HOKBHKIQVKYZCA-AWEZNQCLSA-N 1 1 369.421 3.037 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCc3ccc(O)cc3CC2)cccc1[N+](=O)[O-] ZINC000609133298 506786717 /nfs/dbraw/zinc/78/67/17/506786717.db2.gz HOKBHKIQVKYZCA-AWEZNQCLSA-N 1 1 369.421 3.037 20 5 FGBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)[C@@H]2C1 ZINC000590446578 506826724 /nfs/dbraw/zinc/82/67/24/506826724.db2.gz UTQMJFQPMZMWHI-RDTXWAMCSA-N 1 1 367.405 3.163 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000604458864 506837650 /nfs/dbraw/zinc/83/76/50/506837650.db2.gz HMLNASYEYKJMIH-AWEZNQCLSA-N 1 1 365.499 3.456 20 5 FGBDMO COc1cc(C[NH2+][C@@H](c2ccccc2)[C@H](O)C(C)C)c([N+](=O)[O-])cc1OC ZINC000597222921 506844174 /nfs/dbraw/zinc/84/41/74/506844174.db2.gz POQLZANSKVTSKL-VQTJNVASSA-N 1 1 374.437 3.460 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@H](c3ccc(O)cc3)C2)c([N+](=O)[O-])cc1OC ZINC000600214199 506850138 /nfs/dbraw/zinc/85/01/38/506850138.db2.gz MTEXTAMTFFGMKV-AWEZNQCLSA-N 1 1 358.394 3.307 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+]3C[C@H](C)[C@@](C)(CO)C3)o2)c([N+](=O)[O-])c1 ZINC000597234878 506850995 /nfs/dbraw/zinc/85/09/95/506850995.db2.gz CMVWQBWWIVOMDT-ORAYPTAESA-N 1 1 360.410 3.314 20 5 FGBDMO C[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000604535250 506865589 /nfs/dbraw/zinc/86/55/89/506865589.db2.gz OTCWTGWCCFWKOK-QAPCUYQASA-N 1 1 368.437 3.079 20 5 FGBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000583594671 506866266 /nfs/dbraw/zinc/86/62/66/506866266.db2.gz HAJCCGMKPIWQEY-UHFFFAOYSA-N 1 1 374.466 3.399 20 5 FGBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000583594671 506866269 /nfs/dbraw/zinc/86/62/69/506866269.db2.gz HAJCCGMKPIWQEY-UHFFFAOYSA-N 1 1 374.466 3.399 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2csc(N3CC[NH+](C[C@@H]4CCCO4)CC3)n2)cc1 ZINC000590634030 506890114 /nfs/dbraw/zinc/89/01/14/506890114.db2.gz JCMKJFFRDSGOMC-INIZCTEOSA-N 1 1 374.466 3.019 20 5 FGBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594056471 506910532 /nfs/dbraw/zinc/91/05/32/506910532.db2.gz DEDRUWKNRAWMAY-CABCVRRESA-N 1 1 352.822 3.387 20 5 FGBDMO O=C(C[N@@H+]1CC[C@@H](Cc2ccncc2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000613180231 506957022 /nfs/dbraw/zinc/95/70/22/506957022.db2.gz MTMVQSDRADLSRL-AWEZNQCLSA-N 1 1 374.828 3.146 20 5 FGBDMO O=C(C[N@H+]1CC[C@@H](Cc2ccncc2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000613180231 506957030 /nfs/dbraw/zinc/95/70/30/506957030.db2.gz MTMVQSDRADLSRL-AWEZNQCLSA-N 1 1 374.828 3.146 20 5 FGBDMO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCCN(c2ccccc2)C1=O ZINC000609673524 506969420 /nfs/dbraw/zinc/96/94/20/506969420.db2.gz FBFUVWLWFHUMTD-SFHVURJKSA-N 1 1 369.421 3.101 20 5 FGBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCCN(c2ccccc2)C1=O ZINC000609673524 506969427 /nfs/dbraw/zinc/96/94/27/506969427.db2.gz FBFUVWLWFHUMTD-SFHVURJKSA-N 1 1 369.421 3.101 20 5 FGBDMO O=[N+]([O-])c1cc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cs1 ZINC000609707660 506980678 /nfs/dbraw/zinc/98/06/78/506980678.db2.gz PEOQMQLJPGSMJT-GXTWGEPZSA-N 1 1 360.357 3.280 20 5 FGBDMO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609909274 507047315 /nfs/dbraw/zinc/04/73/15/507047315.db2.gz ZXHJHHQRHFMUEZ-AWEZNQCLSA-N 1 1 357.385 3.080 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609909274 507047318 /nfs/dbraw/zinc/04/73/18/507047318.db2.gz ZXHJHHQRHFMUEZ-AWEZNQCLSA-N 1 1 357.385 3.080 20 5 FGBDMO COc1ccc(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000594344662 507086544 /nfs/dbraw/zinc/08/65/44/507086544.db2.gz JGBCDLHTSCXWQU-OAHLLOKOSA-N 1 1 355.394 3.064 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000597859864 507137700 /nfs/dbraw/zinc/13/77/00/507137700.db2.gz ZRCBDZFFMDVUFN-CQSZACIVSA-N 1 1 374.466 3.321 20 5 FGBDMO O=C([C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000584181531 507199482 /nfs/dbraw/zinc/19/94/82/507199482.db2.gz APJXIEGSIDXMOY-GOSISDBHSA-N 1 1 365.433 3.002 20 5 FGBDMO CC(C)NC(=O)c1ccc(N[C@H]2CCC[N@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000594603316 507205094 /nfs/dbraw/zinc/20/50/94/507205094.db2.gz UCKVHLLPVXSDLO-DOTOQJQBSA-N 1 1 360.458 3.162 20 5 FGBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000610446082 507243271 /nfs/dbraw/zinc/24/32/71/507243271.db2.gz PCPOXALUTKMNIM-CQSZACIVSA-N 1 1 359.451 3.393 20 5 FGBDMO C[C@](CO)([NH2+]Cc1ccc(Br)s1)c1cccc([N+](=O)[O-])c1 ZINC000601150331 507279417 /nfs/dbraw/zinc/27/94/17/507279417.db2.gz VRABDCTUQHPXNR-CQSZACIVSA-N 1 1 371.256 3.416 20 5 FGBDMO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000613860805 507283638 /nfs/dbraw/zinc/28/36/38/507283638.db2.gz HAHAVVRQZFVRRX-GFCCVEGCSA-N 1 1 372.347 3.219 20 5 FGBDMO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000598220010 507323306 /nfs/dbraw/zinc/32/33/06/507323306.db2.gz NIYNYWMQCYDLFW-CQSZACIVSA-N 1 1 368.437 3.280 20 5 FGBDMO COc1ccc([C@@H](CCO)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000595021653 507357358 /nfs/dbraw/zinc/35/73/58/507357358.db2.gz QVODEBLDCIXBRB-SCLBCKFNSA-N 1 1 360.410 3.386 20 5 FGBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000595081620 507382610 /nfs/dbraw/zinc/38/26/10/507382610.db2.gz SZFVXNPKFLZCSA-RDJZCZTQSA-N 1 1 374.485 3.309 20 5 FGBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000595081620 507382616 /nfs/dbraw/zinc/38/26/16/507382616.db2.gz SZFVXNPKFLZCSA-RDJZCZTQSA-N 1 1 374.485 3.309 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CCOC(C)(C)C ZINC000610859907 507417587 /nfs/dbraw/zinc/41/75/87/507417587.db2.gz ULYAWFMYUNAIRN-NSHDSACASA-N 1 1 357.838 3.322 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)CCOC(C)(C)C ZINC000610859907 507417596 /nfs/dbraw/zinc/41/75/96/507417596.db2.gz ULYAWFMYUNAIRN-NSHDSACASA-N 1 1 357.838 3.322 20 5 FGBDMO C[C@H](C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000598508783 507466765 /nfs/dbraw/zinc/46/67/65/507466765.db2.gz HXJDQVQTEYUIPQ-YOEHRIQHSA-N 1 1 371.412 3.228 20 5 FGBDMO CC(C)OC(=O)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592130352 507496383 /nfs/dbraw/zinc/49/63/83/507496383.db2.gz DTHWDFSBDWRZME-QAQDUYKDSA-N 1 1 364.442 3.042 20 5 FGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2ccccn2)CC1 ZINC000611090217 507512910 /nfs/dbraw/zinc/51/29/10/507512910.db2.gz PPEDPLBIDAGKIB-AWEZNQCLSA-N 1 1 354.410 3.196 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(c2ccccn2)CC1 ZINC000611090445 507513722 /nfs/dbraw/zinc/51/37/22/507513722.db2.gz WIINEIXWQSGCCJ-CQSZACIVSA-N 1 1 354.410 3.196 20 5 FGBDMO C[C@@H](NC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000595481011 507522538 /nfs/dbraw/zinc/52/25/38/507522538.db2.gz MWHSGCIOKDRUEO-GDBMZVCRSA-N 1 1 360.458 3.077 20 5 FGBDMO C[N@H+]1CC[C@H](CNc2ccncc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000611193838 507556539 /nfs/dbraw/zinc/55/65/39/507556539.db2.gz PEYLWRJOFWRJNJ-PXAZEXFGSA-N 1 1 364.808 3.309 20 5 FGBDMO C[N@H+](CCOc1ccc(F)cc1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611253208 507581275 /nfs/dbraw/zinc/58/12/75/507581275.db2.gz QKKDLLTVEJJSBH-UHFFFAOYSA-N 1 1 362.357 3.016 20 5 FGBDMO C[N@@H+](CCOc1ccc(F)cc1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611253208 507581280 /nfs/dbraw/zinc/58/12/80/507581280.db2.gz QKKDLLTVEJJSBH-UHFFFAOYSA-N 1 1 362.357 3.016 20 5 FGBDMO C[C@H]1CC[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC12CCC2 ZINC000611303420 507613044 /nfs/dbraw/zinc/61/30/44/507613044.db2.gz KEICWIPMOPKBFE-AWEZNQCLSA-N 1 1 359.426 3.405 20 5 FGBDMO Cc1ccc2c(c1)C[N@H+](CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)CC2 ZINC000595657542 507618162 /nfs/dbraw/zinc/61/81/62/507618162.db2.gz MZXFUJXCKCZUND-UHFFFAOYSA-N 1 1 367.405 3.260 20 5 FGBDMO O=C(CC[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000611350549 507635699 /nfs/dbraw/zinc/63/56/99/507635699.db2.gz QEVIUAZWHHZKGK-HOTGVXAUSA-N 1 1 361.442 3.062 20 5 FGBDMO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc2c(c1)OCCO2 ZINC000611376592 507647694 /nfs/dbraw/zinc/64/76/94/507647694.db2.gz UQRBKSSMNSMXMQ-NSHDSACASA-N 1 1 355.350 3.358 20 5 FGBDMO CC[C@H]1CN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC[C@@H]1[NH3+] ZINC000592427740 507653440 /nfs/dbraw/zinc/65/34/40/507653440.db2.gz WYKUJWCHYNPNQU-GUYCJALGSA-N 1 1 359.426 3.423 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)c([N+](=O)[O-])cc1F ZINC000595748910 507665199 /nfs/dbraw/zinc/66/51/99/507665199.db2.gz ZQZQBTXBWUPYEY-DLBZAZTESA-N 1 1 374.412 3.341 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)c([N+](=O)[O-])cc1F ZINC000595748910 507665207 /nfs/dbraw/zinc/66/52/07/507665207.db2.gz ZQZQBTXBWUPYEY-DLBZAZTESA-N 1 1 374.412 3.341 20 5 FGBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000598888702 507665407 /nfs/dbraw/zinc/66/54/07/507665407.db2.gz NOKDNOUGDHQGQV-UHFFFAOYSA-N 1 1 359.373 3.046 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](N(C)c2ccccc2)C1 ZINC000595825746 507701433 /nfs/dbraw/zinc/70/14/33/507701433.db2.gz GFLSEWFRJYWBKX-GOSISDBHSA-N 1 1 368.437 3.052 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](N(C)c2ccccc2)C1 ZINC000595825746 507701437 /nfs/dbraw/zinc/70/14/37/507701437.db2.gz GFLSEWFRJYWBKX-GOSISDBHSA-N 1 1 368.437 3.052 20 5 FGBDMO CN(c1ccccc1)[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000595825190 507701448 /nfs/dbraw/zinc/70/14/48/507701448.db2.gz COYUILORGRWKAU-MRXNPFEDSA-N 1 1 351.410 3.182 20 5 FGBDMO CN(c1ccccc1)[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000595825190 507701452 /nfs/dbraw/zinc/70/14/52/507701452.db2.gz COYUILORGRWKAU-MRXNPFEDSA-N 1 1 351.410 3.182 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](Oc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000595832224 507706822 /nfs/dbraw/zinc/70/68/22/507706822.db2.gz UITDCFSWJSRXPA-NVXWUHKLSA-N 1 1 369.421 3.384 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](Oc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000595832224 507706826 /nfs/dbraw/zinc/70/68/26/507706826.db2.gz UITDCFSWJSRXPA-NVXWUHKLSA-N 1 1 369.421 3.384 20 5 FGBDMO CCN1C[C@@H](C[N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)Oc2ccccc21 ZINC000611515135 507716399 /nfs/dbraw/zinc/71/63/99/507716399.db2.gz PPBFHLNYMCUKSU-MRXNPFEDSA-N 1 1 371.437 3.323 20 5 FGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000602487188 507724317 /nfs/dbraw/zinc/72/43/17/507724317.db2.gz VXVLLXIWOSTSKL-OCCSQVGLSA-N 1 1 362.373 3.320 20 5 FGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000602487188 507724320 /nfs/dbraw/zinc/72/43/20/507724320.db2.gz VXVLLXIWOSTSKL-OCCSQVGLSA-N 1 1 362.373 3.320 20 5 FGBDMO O=[N+]([O-])c1ccc2oc(CN[C@H]3CC[N@H+](Cc4ccccc4)C3)nc2c1 ZINC000602500320 507729719 /nfs/dbraw/zinc/72/97/19/507729719.db2.gz YYDYISIIPBLHTK-HNNXBMFYSA-N 1 1 352.394 3.100 20 5 FGBDMO O=[N+]([O-])c1ccc2oc(CN[C@H]3CC[N@@H+](Cc4ccccc4)C3)nc2c1 ZINC000602500320 507729725 /nfs/dbraw/zinc/72/97/25/507729725.db2.gz YYDYISIIPBLHTK-HNNXBMFYSA-N 1 1 352.394 3.100 20 5 FGBDMO Cc1[nH+]ccn1CCCNc1ncc([N+](=O)[O-])c(C)c1Br ZINC000509430438 561799236 /nfs/dbraw/zinc/79/92/36/561799236.db2.gz PJKNTWPJWUCDLG-UHFFFAOYSA-N 1 1 354.208 3.068 20 5 FGBDMO CCC[N@@H+]1Cc2cccc(NC(=O)c3ccnc(NC)c3[N+](=O)[O-])c2C1 ZINC000521896817 562186016 /nfs/dbraw/zinc/18/60/16/562186016.db2.gz VJTUTNQXIQVJOV-UHFFFAOYSA-N 1 1 355.398 3.009 20 5 FGBDMO CCC[N@H+]1Cc2cccc(NC(=O)c3ccnc(NC)c3[N+](=O)[O-])c2C1 ZINC000521896817 562186017 /nfs/dbraw/zinc/18/60/17/562186017.db2.gz VJTUTNQXIQVJOV-UHFFFAOYSA-N 1 1 355.398 3.009 20 5 FGBDMO C[C@@H](C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000171241096 705379788 /nfs/dbraw/zinc/37/97/88/705379788.db2.gz MXUXOTNRPQCFRU-XQQFMLRXSA-N 1 1 353.850 3.468 20 5 FGBDMO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000172177186 705409998 /nfs/dbraw/zinc/40/99/98/705409998.db2.gz MGTABBLVTZOQEC-ZDUSSCGKSA-N 1 1 353.850 3.377 20 5 FGBDMO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000172177186 705409999 /nfs/dbraw/zinc/40/99/99/705409999.db2.gz MGTABBLVTZOQEC-ZDUSSCGKSA-N 1 1 353.850 3.377 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCS[C@@H]4CCCC[C@H]43)n2)cc1 ZINC000245865830 713612879 /nfs/dbraw/zinc/61/28/79/713612879.db2.gz DVCJBEKVZCCGFK-HZPDHXFCSA-N 1 1 359.455 3.171 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CCS[C@@H]4CCCC[C@H]43)n2)cc1 ZINC000245865830 713612880 /nfs/dbraw/zinc/61/28/80/713612880.db2.gz DVCJBEKVZCCGFK-HZPDHXFCSA-N 1 1 359.455 3.171 20 5 FGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000619785242 714870862 /nfs/dbraw/zinc/87/08/62/714870862.db2.gz PKBCCNCRRCZVKA-QGZVFWFLSA-N 1 1 364.829 3.162 20 5 FGBDMO CC[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@@H](O)C(F)(F)F ZINC000779193446 724399339 /nfs/dbraw/zinc/39/93/39/724399339.db2.gz QWWNMVODQMROBY-LLVKDONJSA-N 1 1 371.153 3.102 20 5 FGBDMO CC[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@@H](O)C(F)(F)F ZINC000779193446 724399340 /nfs/dbraw/zinc/39/93/40/724399340.db2.gz QWWNMVODQMROBY-LLVKDONJSA-N 1 1 371.153 3.102 20 5 FGBDMO 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ZINC001164955560 722012885 /nfs/dbraw/zinc/01/28/85/722012885.db2.gz WNQGSCBWOPQABO-UHFFFAOYSA-N 1 1 367.453 3.186 20 5 FGBDMO O=[N+]([O-])c1ccc(Cl)cc1NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000705673463 722411798 /nfs/dbraw/zinc/41/17/98/722411798.db2.gz QAKJNULGXNDCOH-GOSISDBHSA-N 1 1 361.829 3.297 20 5 FGBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000732575819 722486203 /nfs/dbraw/zinc/48/62/03/722486203.db2.gz NOYNLFBSXUVWRB-CYBMUJFWSA-N 1 1 353.850 3.490 20 5 FGBDMO COc1cc(F)c([N+](=O)[O-])c(NCC[N@@H+](C)Cc2ccc(F)cc2)c1 ZINC000749103141 722715887 /nfs/dbraw/zinc/71/58/87/722715887.db2.gz ZKXJFBBZUJUWTK-UHFFFAOYSA-N 1 1 351.353 3.426 20 5 FGBDMO Cc1nn(C[N@H+](CCC(F)(F)F)CC2CC2)c2ncc([N+](=O)[O-])cc12 ZINC000753110357 722885664 /nfs/dbraw/zinc/88/56/64/722885664.db2.gz ZZCOMGKVEDGIIG-UHFFFAOYSA-N 1 1 357.336 3.270 20 5 FGBDMO Cc1nn(C[N@@H+](CCC(F)(F)F)CC2CC2)c2ncc([N+](=O)[O-])cc12 ZINC000753110357 722885667 /nfs/dbraw/zinc/88/56/67/722885667.db2.gz ZZCOMGKVEDGIIG-UHFFFAOYSA-N 1 1 357.336 3.270 20 5 FGBDMO CCC[N@@H+](CC)CCNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000755028934 722949484 /nfs/dbraw/zinc/94/94/84/722949484.db2.gz IOGILYOOIZUKTG-UHFFFAOYSA-N 1 1 373.251 3.211 20 5 FGBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000790515613 723147767 /nfs/dbraw/zinc/14/77/67/723147767.db2.gz DNTFAWVNVTWPPA-OAHLLOKOSA-N 1 1 368.865 3.168 20 5 FGBDMO CCC[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[N@H+]1CCOC ZINC000761513554 723161675 /nfs/dbraw/zinc/16/16/75/723161675.db2.gz AAAUFDXUTIILGR-OAHLLOKOSA-N 1 1 355.866 3.181 20 5 FGBDMO CCS(=O)(=O)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)s1 ZINC000793206383 723410875 /nfs/dbraw/zinc/41/08/75/723410875.db2.gz GWNQANKABOTZAU-UHFFFAOYSA-N 1 1 374.871 3.393 20 5 FGBDMO COc1cc(COC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000766205338 723561134 /nfs/dbraw/zinc/56/11/34/723561134.db2.gz DJOMNKHDNVKREB-GRYCIOLGSA-N 1 1 354.378 3.047 20 5 FGBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+](CCCO)Cc2cccc(Cl)c2)cc1 ZINC000776592665 724163023 /nfs/dbraw/zinc/16/30/23/724163023.db2.gz XFTWOYWULATHHU-GOSISDBHSA-N 1 1 364.829 3.166 20 5 FGBDMO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801516901 724309024 /nfs/dbraw/zinc/30/90/24/724309024.db2.gz HEBFQAYWTLDJGJ-CQSZACIVSA-N 1 1 351.422 3.108 20 5 FGBDMO CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801516901 724309027 /nfs/dbraw/zinc/30/90/27/724309027.db2.gz HEBFQAYWTLDJGJ-CQSZACIVSA-N 1 1 351.422 3.108 20 5 FGBDMO O=C(C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(F)c(F)c1 ZINC000784495285 724858794 /nfs/dbraw/zinc/85/87/94/724858794.db2.gz JNOKRJWWCWFXII-UHFFFAOYSA-N 1 1 355.728 3.255 20 5 FGBDMO CC(C)(C(=O)OCc1ccc(Br)c([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000805611938 725082819 /nfs/dbraw/zinc/08/28/19/725082819.db2.gz FSEDASVGIBUJOJ-UHFFFAOYSA-N 1 1 371.231 3.275 20 5 FGBDMO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CCC[C@@H]3[C@H]3CCCO3)c2c(Cl)c1 ZINC000789509144 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VJPBSMWKVTWVIZ-ZDUSSCGKSA-N 1 1 366.849 3.444 20 5 FGBDMO O=[N+]([O-])c1ccc(Br)c(C[NH2+][C@H]2CCCn3nccc32)c1 ZINC000931569423 760898852 /nfs/dbraw/zinc/89/88/52/760898852.db2.gz LHDYHYDQPGDAOE-ZDUSSCGKSA-N 1 1 351.204 3.179 20 5 FGBDMO Cc1noc(C[NH+]2CCC(Cc3nc4c(s3)CCC4)CC2)c1[N+](=O)[O-] ZINC000932622877 761204353 /nfs/dbraw/zinc/20/43/53/761204353.db2.gz PGJHXMJXWFLHNR-UHFFFAOYSA-N 1 1 362.455 3.291 20 5 FGBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000576965316 505635744 /nfs/dbraw/zinc/63/57/44/505635744.db2.gz DZVBEXDOBHRMIK-LLVKDONJSA-N 1 1 361.364 3.464 20 5 FGBDMO C[C@@]1(Cc2cccc(F)c2)CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000571043594 505640530 /nfs/dbraw/zinc/64/05/30/505640530.db2.gz JFCBYUSZNSBSBJ-FQEVSTJZSA-N 1 1 371.412 3.430 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000580114199 505680527 /nfs/dbraw/zinc/68/05/27/505680527.db2.gz MHAJPUHSHAPRDX-KXBFYZLASA-N 1 1 353.422 3.296 20 5 FGBDMO Cc1cccnc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000080929301 493793332 /nfs/dbraw/zinc/79/33/32/493793332.db2.gz NBDVHAFOTMTPHN-MRXNPFEDSA-N 1 1 354.410 3.149 20 5 FGBDMO C[N@@H+](C[C@H](O)COc1ccc(Cc2ccccc2)cc1[N+](=O)[O-])C1CC1 ZINC000580138103 505684973 /nfs/dbraw/zinc/68/49/73/505684973.db2.gz CBKQGNQSTUNXIL-SFHVURJKSA-N 1 1 356.422 3.020 20 5 FGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)c1 ZINC000058933025 493895149 /nfs/dbraw/zinc/89/51/49/493895149.db2.gz JENTYWLHRYBXIA-UHFFFAOYSA-N 1 1 373.428 3.321 20 5 FGBDMO O=[N+]([O-])c1cccc(OCCN2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000058933025 493895156 /nfs/dbraw/zinc/89/51/56/493895156.db2.gz JENTYWLHRYBXIA-UHFFFAOYSA-N 1 1 373.428 3.321 20 5 FGBDMO O=[N+]([O-])c1cccc(OCCN2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000058933025 493895163 /nfs/dbraw/zinc/89/51/63/493895163.db2.gz JENTYWLHRYBXIA-UHFFFAOYSA-N 1 1 373.428 3.321 20 5 FGBDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000051050876 493944006 /nfs/dbraw/zinc/94/40/06/493944006.db2.gz BGJAORWRTRSCCS-HOCLYGCPSA-N 1 1 363.458 3.120 20 5 FGBDMO Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000032483653 493993216 /nfs/dbraw/zinc/99/32/16/493993216.db2.gz CKETVSBXJNUOHW-UHFFFAOYSA-N 1 1 353.422 3.170 20 5 FGBDMO CC(C)[N@H+]1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000069652262 493994170 /nfs/dbraw/zinc/99/41/70/493994170.db2.gz TUZCMVPMNSCFEJ-UHFFFAOYSA-N 1 1 372.372 3.144 20 5 FGBDMO C[C@@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[N@H+]1CCCC[C@@H]1C ZINC000032730696 494009435 /nfs/dbraw/zinc/00/94/35/494009435.db2.gz ZVGYQWIAXFUNMH-KBPBESRZSA-N 1 1 360.458 3.162 20 5 FGBDMO C[C@@H]1C[N@H+](Cc2ccccc2CNc2ncccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000052314573 494018261 /nfs/dbraw/zinc/01/82/61/494018261.db2.gz ODSLJRPBZCIZJA-GASCZTMLSA-N 1 1 356.426 3.211 20 5 FGBDMO C[C@H]1CN(Cc2ccccc2C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000069833332 494021199 /nfs/dbraw/zinc/02/11/99/494021199.db2.gz HOEQPDLXNYEZDT-IRXDYDNUSA-N 1 1 369.465 3.494 20 5 FGBDMO C[N@@H+](CCCc1ccccc1)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000052802739 494063298 /nfs/dbraw/zinc/06/32/98/494063298.db2.gz XZUZEZUBWOQDJA-UHFFFAOYSA-N 1 1 353.422 3.049 20 5 FGBDMO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc([N+](=O)[O-])cc1 ZINC000008533751 494096124 /nfs/dbraw/zinc/09/61/24/494096124.db2.gz QGMUDUHHVVDLCL-UHFFFAOYSA-N 1 1 357.410 3.454 20 5 FGBDMO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc([N+](=O)[O-])cc1 ZINC000008533751 494096128 /nfs/dbraw/zinc/09/61/28/494096128.db2.gz QGMUDUHHVVDLCL-UHFFFAOYSA-N 1 1 357.410 3.454 20 5 FGBDMO CCCCNC(=O)C1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCCCC1 ZINC000085907091 494141134 /nfs/dbraw/zinc/14/11/34/494141134.db2.gz KCBJYYHQXOCYKI-UHFFFAOYSA-N 1 1 374.441 3.445 20 5 FGBDMO Cc1ccc(CNC(=O)[C@H](C)[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000574139609 505703064 /nfs/dbraw/zinc/70/30/64/505703064.db2.gz RJPRGWLXKBJRQX-INIZCTEOSA-N 1 1 355.438 3.082 20 5 FGBDMO C[N@@H+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000087036562 494165114 /nfs/dbraw/zinc/16/51/14/494165114.db2.gz TVBQXEKQVVOEBQ-IBGZPJMESA-N 1 1 353.422 3.043 20 5 FGBDMO C[N@H+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000087036562 494165115 /nfs/dbraw/zinc/16/51/15/494165115.db2.gz TVBQXEKQVVOEBQ-IBGZPJMESA-N 1 1 353.422 3.043 20 5 FGBDMO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000072528368 494194424 /nfs/dbraw/zinc/19/44/24/494194424.db2.gz MTFQTYNXMTUSMX-ZDUSSCGKSA-N 1 1 351.834 3.243 20 5 FGBDMO CCCC[N@@H+](C)CC1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000087355724 494196220 /nfs/dbraw/zinc/19/62/20/494196220.db2.gz ZTPMEJBQGGFBMB-UHFFFAOYSA-N 1 1 361.486 3.498 20 5 FGBDMO COc1ccc(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000054226043 494209089 /nfs/dbraw/zinc/20/90/89/494209089.db2.gz QCPIUTKFJSFNRS-YOEHRIQHSA-N 1 1 369.421 3.169 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000054370280 494226501 /nfs/dbraw/zinc/22/65/01/494226501.db2.gz FYFHQOUBBRPEKR-UHFFFAOYSA-N 1 1 374.372 3.354 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000072782322 494249572 /nfs/dbraw/zinc/24/95/72/494249572.db2.gz GOBMNVNKFUWRJR-INIZCTEOSA-N 1 1 362.474 3.168 20 5 FGBDMO CCC[NH+]1CCN(c2ccccc2CNCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000088684804 494255860 /nfs/dbraw/zinc/25/58/60/494255860.db2.gz VYHHSSABEJZZRI-UHFFFAOYSA-N 1 1 368.481 3.417 20 5 FGBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000066139998 494277606 /nfs/dbraw/zinc/27/76/06/494277606.db2.gz MDHZGBFOEYFTQE-GFCCVEGCSA-N 1 1 362.455 3.178 20 5 FGBDMO Cc1ccc(OCC[N@@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 ZINC000015102590 494340156 /nfs/dbraw/zinc/34/01/56/494340156.db2.gz MKZQSEZSVRHTGA-UHFFFAOYSA-N 1 1 357.410 3.161 20 5 FGBDMO Cc1ccc(OCC[N@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 ZINC000015102590 494340159 /nfs/dbraw/zinc/34/01/59/494340159.db2.gz MKZQSEZSVRHTGA-UHFFFAOYSA-N 1 1 357.410 3.161 20 5 FGBDMO Cc1ccc(OCC[N@@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000015102567 494340233 /nfs/dbraw/zinc/34/02/33/494340233.db2.gz SVCCGOSCOPZGOZ-OAHLLOKOSA-N 1 1 357.410 3.241 20 5 FGBDMO Cc1ccc(OCC[N@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000015102567 494340238 /nfs/dbraw/zinc/34/02/38/494340238.db2.gz SVCCGOSCOPZGOZ-OAHLLOKOSA-N 1 1 357.410 3.241 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+](CCO)CCc3ccccc3)co2)cc1 ZINC000089900364 494397129 /nfs/dbraw/zinc/39/71/29/494397129.db2.gz GWJZPMHONKXYML-UHFFFAOYSA-N 1 1 367.405 3.287 20 5 FGBDMO C[N@H+](CCC(=O)OC(C)(C)C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089909547 494398229 /nfs/dbraw/zinc/39/82/29/494398229.db2.gz QDHBKFCWZQHARG-UHFFFAOYSA-N 1 1 361.398 3.413 20 5 FGBDMO C[N@@H+](CCC(=O)OC(C)(C)C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089909547 494398231 /nfs/dbraw/zinc/39/82/31/494398231.db2.gz QDHBKFCWZQHARG-UHFFFAOYSA-N 1 1 361.398 3.413 20 5 FGBDMO CCc1ccccc1NC(=O)C[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000055898660 494424021 /nfs/dbraw/zinc/42/40/21/494424021.db2.gz ZQUAYXKNLHJRNY-UHFFFAOYSA-N 1 1 371.437 3.497 20 5 FGBDMO CCc1ccccc1NC(=O)C[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000055898660 494424023 /nfs/dbraw/zinc/42/40/23/494424023.db2.gz ZQUAYXKNLHJRNY-UHFFFAOYSA-N 1 1 371.437 3.497 20 5 FGBDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000079309157 494434821 /nfs/dbraw/zinc/43/48/21/494434821.db2.gz LVWLDIMKCQRTPC-TZMCWYRMSA-N 1 1 374.384 3.330 20 5 FGBDMO CC[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000090686371 494493648 /nfs/dbraw/zinc/49/36/48/494493648.db2.gz AFJFSJVEHWGQEH-BPQIPLTHSA-N 1 1 360.458 3.172 20 5 FGBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000074328521 494520545 /nfs/dbraw/zinc/52/05/45/494520545.db2.gz AGLRHWKEPGZMGG-CYBMUJFWSA-N 1 1 351.834 3.052 20 5 FGBDMO CN(C(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000074446212 494537752 /nfs/dbraw/zinc/53/77/52/494537752.db2.gz UIJUHEAOGGOSTD-KRWDZBQOSA-N 1 1 371.412 3.471 20 5 FGBDMO CN(C(=O)c1csc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000074446187 494538420 /nfs/dbraw/zinc/53/84/20/494538420.db2.gz HAOUOFQMHAQRQB-INIZCTEOSA-N 1 1 359.451 3.393 20 5 FGBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccc([N+](=O)[O-])o3)cc2)C1 ZINC000046596359 494539168 /nfs/dbraw/zinc/53/91/68/494539168.db2.gz XGJJHKCNILDKTQ-CQSZACIVSA-N 1 1 357.410 3.350 20 5 FGBDMO C[NH+](C)[C@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000080056065 494577692 /nfs/dbraw/zinc/57/76/92/494577692.db2.gz IDMFFDMCJKWKTG-OAHLLOKOSA-N 1 1 360.414 3.025 20 5 FGBDMO COCC[N@@H+](C)CC[C@H](Nc1cc(C)c([N+](=O)[O-])cn1)c1ccccc1 ZINC000074747986 494590781 /nfs/dbraw/zinc/59/07/81/494590781.db2.gz KOQYYWOXPMYSBJ-KRWDZBQOSA-N 1 1 358.442 3.420 20 5 FGBDMO C[C@H](NC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000074856431 494626010 /nfs/dbraw/zinc/62/60/10/494626010.db2.gz OSCKRHQBTMNOIV-GOEBONIOSA-N 1 1 360.458 3.029 20 5 FGBDMO CC(=O)N(C)C1CC[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000092538103 494662285 /nfs/dbraw/zinc/66/22/85/494662285.db2.gz MJFVTQICNWJHGD-UHFFFAOYSA-N 1 1 374.466 3.161 20 5 FGBDMO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000057174177 494666986 /nfs/dbraw/zinc/66/69/86/494666986.db2.gz OHCKETFNDSCPSJ-GOSISDBHSA-N 1 1 353.422 3.123 20 5 FGBDMO CN1CC[NH+](Cc2ccc(CNc3ccc(F)cc3[N+](=O)[O-])cc2)CC1 ZINC000047272515 494670635 /nfs/dbraw/zinc/67/06/35/494670635.db2.gz MFSCJJDAGNMSHB-UHFFFAOYSA-N 1 1 358.417 3.093 20 5 FGBDMO CCCO[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000108392608 494696058 /nfs/dbraw/zinc/69/60/58/494696058.db2.gz FXQLKBLDPZCBPQ-INIZCTEOSA-N 1 1 360.414 3.426 20 5 FGBDMO COc1ccc(-c2ccc(CNC[C@@H]3CCC[N@@H+](C)C3)o2)c([N+](=O)[O-])c1 ZINC000108428203 494705145 /nfs/dbraw/zinc/70/51/45/494705145.db2.gz DZQHWQKKRSLYSX-AWEZNQCLSA-N 1 1 359.426 3.295 20 5 FGBDMO COc1ccc(-c2ccc(C[NH2+]C[C@@H]3CCCN(C)C3)o2)c([N+](=O)[O-])c1 ZINC000108428203 494705162 /nfs/dbraw/zinc/70/51/62/494705162.db2.gz DZQHWQKKRSLYSX-AWEZNQCLSA-N 1 1 359.426 3.295 20 5 FGBDMO Cc1cc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)no1 ZINC000067962826 494711074 /nfs/dbraw/zinc/71/10/74/494711074.db2.gz KURWGEFBJLYABU-KRWDZBQOSA-N 1 1 358.398 3.365 20 5 FGBDMO Cc1cc([C@@H]2CCC[N@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)no1 ZINC000067962826 494711082 /nfs/dbraw/zinc/71/10/82/494711082.db2.gz KURWGEFBJLYABU-KRWDZBQOSA-N 1 1 358.398 3.365 20 5 FGBDMO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000092096501 494787119 /nfs/dbraw/zinc/78/71/19/494787119.db2.gz VSKLVVHNAOOROR-OAHLLOKOSA-N 1 1 363.801 3.219 20 5 FGBDMO CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000092096501 494787122 /nfs/dbraw/zinc/78/71/22/494787122.db2.gz VSKLVVHNAOOROR-OAHLLOKOSA-N 1 1 363.801 3.219 20 5 FGBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000131984564 494792475 /nfs/dbraw/zinc/79/24/75/494792475.db2.gz UXFKHSSMRWDNEO-HNNXBMFYSA-N 1 1 368.437 3.035 20 5 FGBDMO CC(C)c1ccc(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000093017671 494810218 /nfs/dbraw/zinc/81/02/18/494810218.db2.gz CNRNWHPYSQSHEJ-SFHVURJKSA-N 1 1 361.486 3.262 20 5 FGBDMO CC(C)c1ccc(CN2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000093017671 494810223 /nfs/dbraw/zinc/81/02/23/494810223.db2.gz CNRNWHPYSQSHEJ-SFHVURJKSA-N 1 1 361.486 3.262 20 5 FGBDMO COc1cccc(C[N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000026221996 494810603 /nfs/dbraw/zinc/81/06/03/494810603.db2.gz NSTMGCVPIDBECS-UHFFFAOYSA-N 1 1 357.410 3.372 20 5 FGBDMO CCOc1ccc(C[N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000026223081 494811613 /nfs/dbraw/zinc/81/16/13/494811613.db2.gz JQCMBMPVZYZSOK-UHFFFAOYSA-N 1 1 357.410 3.454 20 5 FGBDMO CCC[N@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000093132410 494830419 /nfs/dbraw/zinc/83/04/19/494830419.db2.gz OOIUFCDNTXZBLL-OAHLLOKOSA-N 1 1 352.431 3.393 20 5 FGBDMO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000132200538 494837430 /nfs/dbraw/zinc/83/74/30/494837430.db2.gz HRNAFUIXEJQPRH-CQSZACIVSA-N 1 1 359.348 3.026 20 5 FGBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000132200538 494837433 /nfs/dbraw/zinc/83/74/33/494837433.db2.gz HRNAFUIXEJQPRH-CQSZACIVSA-N 1 1 359.348 3.026 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cc(Cl)ccc3F)C2)nc1 ZINC000093534606 494898922 /nfs/dbraw/zinc/89/89/22/494898922.db2.gz MFCWARWEMPQLLL-ZDUSSCGKSA-N 1 1 350.781 3.469 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cc(Cl)ccc3F)C2)nc1 ZINC000093534606 494898926 /nfs/dbraw/zinc/89/89/26/494898926.db2.gz MFCWARWEMPQLLL-ZDUSSCGKSA-N 1 1 350.781 3.469 20 5 FGBDMO C[C@H](c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)cc1)[NH+]1CCOCC1 ZINC000110721592 495003567 /nfs/dbraw/zinc/00/35/67/495003567.db2.gz QTPUABCUYIBVFU-CYBMUJFWSA-N 1 1 373.384 3.379 20 5 FGBDMO NC(=O)CC[C@H]1CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000122715820 495020316 /nfs/dbraw/zinc/02/03/16/495020316.db2.gz JTICRFJMBSPXBR-CQSZACIVSA-N 1 1 357.410 3.332 20 5 FGBDMO CC[C@@H](C)[C@H](C)[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000111226990 495050150 /nfs/dbraw/zinc/05/01/50/495050150.db2.gz AMACCMPVBFWURO-NEPJUHHUSA-N 1 1 363.414 3.161 20 5 FGBDMO NC(=O)c1ccc(C[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000111306085 495061668 /nfs/dbraw/zinc/06/16/68/495061668.db2.gz ZXJOOXQSBCVZHW-CQSZACIVSA-N 1 1 359.813 3.337 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1cc(C)ccc1OC ZINC000102691923 495154051 /nfs/dbraw/zinc/15/40/51/495154051.db2.gz MMBGLSOZSPIWTI-CYBMUJFWSA-N 1 1 373.409 3.210 20 5 FGBDMO CCCC[N@@H+](C)CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000112310313 495173504 /nfs/dbraw/zinc/17/35/04/495173504.db2.gz KTIBKEQAKJVZLK-UHFFFAOYSA-N 1 1 365.477 3.003 20 5 FGBDMO CS[C@@H]1CCCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000134606866 495174543 /nfs/dbraw/zinc/17/45/43/495174543.db2.gz BCQOVRYRYPWKRV-OAHLLOKOSA-N 1 1 351.472 3.449 20 5 FGBDMO C[C@H]1C[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000134946836 495228699 /nfs/dbraw/zinc/22/86/99/495228699.db2.gz ZUDZXGHCMMQKOY-LPHOPBHVSA-N 1 1 367.449 3.307 20 5 FGBDMO CCOc1ccc(C(=O)N2CC[N@H+](C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000103411732 495229406 /nfs/dbraw/zinc/22/94/06/495229406.db2.gz CPDNVDVPZRUASM-UHFFFAOYSA-N 1 1 355.394 3.086 20 5 FGBDMO CCOc1ccc(C(=O)N2CC[N@@H+](C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000103411732 495229407 /nfs/dbraw/zinc/22/94/07/495229407.db2.gz CPDNVDVPZRUASM-UHFFFAOYSA-N 1 1 355.394 3.086 20 5 FGBDMO C[NH+](C)[C@@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000124106453 495234464 /nfs/dbraw/zinc/23/44/64/495234464.db2.gz MWCDSOAZYLPIEE-LJQANCHMSA-N 1 1 355.438 3.337 20 5 FGBDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000112918613 495257057 /nfs/dbraw/zinc/25/70/57/495257057.db2.gz ZZFLDVBFLPZGCB-UHFFFAOYSA-N 1 1 363.458 3.188 20 5 FGBDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000112918681 495257313 /nfs/dbraw/zinc/25/73/13/495257313.db2.gz LOHLJSGOCZCHPY-UHFFFAOYSA-N 1 1 373.457 3.055 20 5 FGBDMO CCCC[N@H+](C)CC1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000112918681 495257315 /nfs/dbraw/zinc/25/73/15/495257315.db2.gz LOHLJSGOCZCHPY-UHFFFAOYSA-N 1 1 373.457 3.055 20 5 FGBDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000112918681 495257319 /nfs/dbraw/zinc/25/73/19/495257319.db2.gz LOHLJSGOCZCHPY-UHFFFAOYSA-N 1 1 373.457 3.055 20 5 FGBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)CC1CC1 ZINC000112983040 495262492 /nfs/dbraw/zinc/26/24/92/495262492.db2.gz YZXGOIIOWSWFIF-UHFFFAOYSA-N 1 1 356.220 3.028 20 5 FGBDMO Cc1c(CC(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000129890171 495310534 /nfs/dbraw/zinc/31/05/34/495310534.db2.gz VMEBOCYSQLMALG-DNVCBOLYSA-N 1 1 367.449 3.225 20 5 FGBDMO CC[C@@H](c1ccncc1)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000130099568 495341609 /nfs/dbraw/zinc/34/16/09/495341609.db2.gz PYKVZZYAHVOUGX-INIZCTEOSA-N 1 1 358.398 3.020 20 5 FGBDMO CC[C@@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000130099568 495341612 /nfs/dbraw/zinc/34/16/12/495341612.db2.gz PYKVZZYAHVOUGX-INIZCTEOSA-N 1 1 358.398 3.020 20 5 FGBDMO CCC[N@H+]1CCCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000114463199 495378579 /nfs/dbraw/zinc/37/85/79/495378579.db2.gz JWJDXCFFUDHBMS-UHFFFAOYSA-N 1 1 358.442 3.210 20 5 FGBDMO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000120660212 495429207 /nfs/dbraw/zinc/42/92/07/495429207.db2.gz FSKPUHKTOSMJTP-KRWDZBQOSA-N 1 1 374.485 3.234 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CCC(c4nc[nH]n4)CC3)o2)c1 ZINC000130714518 495433993 /nfs/dbraw/zinc/43/39/93/495433993.db2.gz AIUMDOGFHQQYJN-UHFFFAOYSA-N 1 1 353.382 3.353 20 5 FGBDMO C[C@H](O)C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCCCC1 ZINC000170691654 495568370 /nfs/dbraw/zinc/56/83/70/495568370.db2.gz BHZWKFKDQZHDKX-ZDUSSCGKSA-N 1 1 360.414 3.160 20 5 FGBDMO COc1cc(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000173597157 495605760 /nfs/dbraw/zinc/60/57/60/495605760.db2.gz YNWAJYRTXMMCED-HNNXBMFYSA-N 1 1 371.437 3.244 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000182891385 495744727 /nfs/dbraw/zinc/74/47/27/495744727.db2.gz BSOWBSHKLIGASN-MJGOQNOKSA-N 1 1 360.502 3.066 20 5 FGBDMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000173970869 495769581 /nfs/dbraw/zinc/76/95/81/495769581.db2.gz XFWASOQXTMMAQW-CQSZACIVSA-N 1 1 373.375 3.218 20 5 FGBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000176744403 495770599 /nfs/dbraw/zinc/77/05/99/495770599.db2.gz PFGOXKSINPYZJG-JKSUJKDBSA-N 1 1 362.474 3.338 20 5 FGBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176752725 495773172 /nfs/dbraw/zinc/77/31/72/495773172.db2.gz HNULWVCPEIHWEM-USXIJHARSA-N 1 1 360.458 3.232 20 5 FGBDMO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C2CC2)o1 ZINC000159694688 495789521 /nfs/dbraw/zinc/78/95/21/495789521.db2.gz VJSWRGNZTMAYAZ-DYVFJYSZSA-N 1 1 357.410 3.138 20 5 FGBDMO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C2CC2)o1 ZINC000159694688 495789527 /nfs/dbraw/zinc/78/95/27/495789527.db2.gz VJSWRGNZTMAYAZ-DYVFJYSZSA-N 1 1 357.410 3.138 20 5 FGBDMO CC[N@@H+]1CCc2nc(NC(=O)CCc3cccc([N+](=O)[O-])c3)sc2C1 ZINC000151707667 495924469 /nfs/dbraw/zinc/92/44/69/495924469.db2.gz ZXIGSKCMWVAVHK-UHFFFAOYSA-N 1 1 360.439 3.001 20 5 FGBDMO CC[N@H+]1CCc2nc(NC(=O)CCc3cccc([N+](=O)[O-])c3)sc2C1 ZINC000151707667 495924470 /nfs/dbraw/zinc/92/44/70/495924470.db2.gz ZXIGSKCMWVAVHK-UHFFFAOYSA-N 1 1 360.439 3.001 20 5 FGBDMO COCc1cc([N+](=O)[O-])ccc1NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000151978878 496011408 /nfs/dbraw/zinc/01/14/08/496011408.db2.gz CJUGKLBWEVSDQG-GASCZTMLSA-N 1 1 351.447 3.043 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2N)cc1 ZINC000183505052 496013696 /nfs/dbraw/zinc/01/36/96/496013696.db2.gz PVVYAQKMLBLMSX-CYBMUJFWSA-N 1 1 369.425 3.199 20 5 FGBDMO COc1ccc(C[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1O ZINC000174627355 496038460 /nfs/dbraw/zinc/03/84/60/496038460.db2.gz RDLVZAWOBIEHQB-UHFFFAOYSA-N 1 1 373.409 3.078 20 5 FGBDMO CN(C(=O)Nc1ccncc1[N+](=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000183610742 496047437 /nfs/dbraw/zinc/04/74/37/496047437.db2.gz RHNDMYLQKBRYEF-INIZCTEOSA-N 1 1 369.425 3.118 20 5 FGBDMO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000171821221 496051697 /nfs/dbraw/zinc/05/16/97/496051697.db2.gz RFMCKINJZHSWLQ-UHFFFAOYSA-N 1 1 355.373 3.156 20 5 FGBDMO C[C@H]1C[C@H](NC(=O)Nc2ccncc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000183647344 496061827 /nfs/dbraw/zinc/06/18/27/496061827.db2.gz LOZICFHWNFPNKG-GOEBONIOSA-N 1 1 369.425 3.164 20 5 FGBDMO C[C@@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000171862808 496066993 /nfs/dbraw/zinc/06/69/93/496066993.db2.gz RYRHWNMPPCTDGU-HNNXBMFYSA-N 1 1 353.422 3.000 20 5 FGBDMO C[C@@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000171862808 496067001 /nfs/dbraw/zinc/06/70/01/496067001.db2.gz RYRHWNMPPCTDGU-HNNXBMFYSA-N 1 1 353.422 3.000 20 5 FGBDMO O=C(CC[N@H+]1CC[C@@]2(C1)OCc1ccccc12)Nc1ccccc1[N+](=O)[O-] ZINC000186623942 496078213 /nfs/dbraw/zinc/07/82/13/496078213.db2.gz UAOFIXZZHJERMC-FQEVSTJZSA-N 1 1 367.405 3.055 20 5 FGBDMO C[C@H](C[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1nccs1 ZINC000183975571 496185305 /nfs/dbraw/zinc/18/53/05/496185305.db2.gz XEUYYTZXZZHYMB-LLVKDONJSA-N 1 1 359.411 3.337 20 5 FGBDMO C[C@H](C[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1nccs1 ZINC000183975571 496185310 /nfs/dbraw/zinc/18/53/10/496185310.db2.gz XEUYYTZXZZHYMB-LLVKDONJSA-N 1 1 359.411 3.337 20 5 FGBDMO CCCCNC(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000172175511 496196415 /nfs/dbraw/zinc/19/64/15/496196415.db2.gz SXTDUNHFXPYRNV-UHFFFAOYSA-N 1 1 353.850 3.377 20 5 FGBDMO COc1cc(C[N@@H+](C)C2CCC(CO)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000156263866 496201785 /nfs/dbraw/zinc/20/17/85/496201785.db2.gz FKLJTPYPMRLEGP-UHFFFAOYSA-N 1 1 374.384 3.188 20 5 FGBDMO Cc1csc(C2([NH2+]CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)CCCC2)n1 ZINC000175018293 496210394 /nfs/dbraw/zinc/21/03/94/496210394.db2.gz SVQMCCNUAXTKIJ-UHFFFAOYSA-N 1 1 374.466 3.382 20 5 FGBDMO C[C@@H](CNC(=O)c1cc2ccccc2c2cccnc12)C[NH+]1CCOCC1 ZINC000172461520 496306655 /nfs/dbraw/zinc/30/66/55/496306655.db2.gz XNRRUCYULAGWEL-INIZCTEOSA-N 1 1 363.461 3.086 20 5 FGBDMO COc1cc(C[N@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)c([N+](=O)[O-])cc1F ZINC000184287750 496321065 /nfs/dbraw/zinc/32/10/65/496321065.db2.gz AGBKBPJKOYKQAE-KGLIPLIRSA-N 1 1 370.446 3.229 20 5 FGBDMO COc1cc(C[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)c([N+](=O)[O-])cc1F ZINC000184287750 496321068 /nfs/dbraw/zinc/32/10/68/496321068.db2.gz AGBKBPJKOYKQAE-KGLIPLIRSA-N 1 1 370.446 3.229 20 5 FGBDMO C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181505425 496423563 /nfs/dbraw/zinc/42/35/63/496423563.db2.gz GPXHMGLZDXTDDZ-WBVHZDCISA-N 1 1 359.470 3.297 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c(C(F)(F)F)c1 ZINC000157260036 496440955 /nfs/dbraw/zinc/44/09/55/496440955.db2.gz QKLJAQSNSZULBV-KBPBESRZSA-N 1 1 362.373 3.320 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCS[C@H]3COCC[C@@H]32)c(C(F)(F)F)c1 ZINC000157260036 496440959 /nfs/dbraw/zinc/44/09/59/496440959.db2.gz QKLJAQSNSZULBV-KBPBESRZSA-N 1 1 362.373 3.320 20 5 FGBDMO COc1cc(C[N@H+](C)CCc2nccs2)c([N+](=O)[O-])cc1OC(F)F ZINC000157794735 496556734 /nfs/dbraw/zinc/55/67/34/496556734.db2.gz MMALQUDNOPSHRW-UHFFFAOYSA-N 1 1 373.381 3.336 20 5 FGBDMO COc1cc(C[N@@H+](C)CCc2nccs2)c([N+](=O)[O-])cc1OC(F)F ZINC000157794735 496556738 /nfs/dbraw/zinc/55/67/38/496556738.db2.gz MMALQUDNOPSHRW-UHFFFAOYSA-N 1 1 373.381 3.336 20 5 FGBDMO COc1ccccc1[C@@H]1CC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000157872402 496574836 /nfs/dbraw/zinc/57/48/36/496574836.db2.gz QOOMLVORJPQSIL-OAHLLOKOSA-N 1 1 369.421 3.340 20 5 FGBDMO COc1ccccc1[C@@H]1CC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000157872402 496574840 /nfs/dbraw/zinc/57/48/40/496574840.db2.gz QOOMLVORJPQSIL-OAHLLOKOSA-N 1 1 369.421 3.340 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173163277 496576151 /nfs/dbraw/zinc/57/61/51/496576151.db2.gz GUCGUCPNYQAMNL-QGZVFWFLSA-N 1 1 367.449 3.260 20 5 FGBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176055780 496663163 /nfs/dbraw/zinc/66/31/63/496663163.db2.gz BCUCXMMPJPODMM-TZMCWYRMSA-N 1 1 359.430 3.105 20 5 FGBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000571976135 505860241 /nfs/dbraw/zinc/86/02/41/505860241.db2.gz FSPIYMBKMPYXMJ-INIZCTEOSA-N 1 1 363.461 3.236 20 5 FGBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]3CCCC[C@@H]32)cc1 ZINC000182177338 496699113 /nfs/dbraw/zinc/69/91/13/496699113.db2.gz IJJBTDGKQJSPNU-PBHICJAKSA-N 1 1 352.456 3.023 20 5 FGBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H]3CCCC[C@@H]32)cc1 ZINC000182177338 496699115 /nfs/dbraw/zinc/69/91/15/496699115.db2.gz IJJBTDGKQJSPNU-PBHICJAKSA-N 1 1 352.456 3.023 20 5 FGBDMO CSc1cccc(C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c1[N+](=O)[O-] ZINC000188177040 496709504 /nfs/dbraw/zinc/70/95/04/496709504.db2.gz ZGGXDZAMZHBXSD-CYBMUJFWSA-N 1 1 351.472 3.263 20 5 FGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c(Cl)c1 ZINC000182223525 496712875 /nfs/dbraw/zinc/71/28/75/496712875.db2.gz OBAIRZIKZYJKMU-INIZCTEOSA-N 1 1 354.834 3.408 20 5 FGBDMO C[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N)[C@@H]1c1cccs1 ZINC000191788895 496889747 /nfs/dbraw/zinc/88/97/47/496889747.db2.gz XEGLTYKZJLBNFS-SJKOYZFVSA-N 1 1 374.466 3.051 20 5 FGBDMO CSc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000248046365 496947429 /nfs/dbraw/zinc/94/74/29/496947429.db2.gz MZHBVBIPOQCCMH-CRAIPNDOSA-N 1 1 371.462 3.492 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3CC[N@H+]4CCCC[C@@H]34)cs2)c1 ZINC000264943898 497016096 /nfs/dbraw/zinc/01/60/96/497016096.db2.gz HTQJGWBJKWQHPU-SJORKVTESA-N 1 1 358.467 3.435 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cc(F)ccc3Cl)C2)nc1 ZINC000189192748 497039379 /nfs/dbraw/zinc/03/93/79/497039379.db2.gz PIIWPTAWFAJVEE-CYBMUJFWSA-N 1 1 350.781 3.469 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cc(F)ccc3Cl)C2)nc1 ZINC000189192748 497039380 /nfs/dbraw/zinc/03/93/80/497039380.db2.gz PIIWPTAWFAJVEE-CYBMUJFWSA-N 1 1 350.781 3.469 20 5 FGBDMO C[C@@H](c1cccnc1)[NH+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000265159959 497060896 /nfs/dbraw/zinc/06/08/96/497060896.db2.gz VRSOIUSBAZPXOE-HNNXBMFYSA-N 1 1 363.421 3.421 20 5 FGBDMO COc1cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000248625137 497062942 /nfs/dbraw/zinc/06/29/42/497062942.db2.gz NODIEYMCLHIFSU-SUMWQHHRSA-N 1 1 363.433 3.191 20 5 FGBDMO COc1ccc(NC(=O)C[N@H+](C)CC2(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000189307926 497077061 /nfs/dbraw/zinc/07/70/61/497077061.db2.gz HMWUZOCQUXDPMR-UHFFFAOYSA-N 1 1 369.421 3.206 20 5 FGBDMO COc1ccc(NC(=O)C[N@@H+](C)CC2(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000189307926 497077068 /nfs/dbraw/zinc/07/70/68/497077068.db2.gz HMWUZOCQUXDPMR-UHFFFAOYSA-N 1 1 369.421 3.206 20 5 FGBDMO O=[N+]([O-])c1cc(CNC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cs1 ZINC000192354681 497086950 /nfs/dbraw/zinc/08/69/50/497086950.db2.gz OHDUNAOQRHXLLE-KRWDZBQOSA-N 1 1 361.467 3.037 20 5 FGBDMO C[N@H+]1CCC[C@H]2CN(c3ccc(Br)cc3[N+](=O)[O-])CC[C@H]21 ZINC000227347238 497089766 /nfs/dbraw/zinc/08/97/66/497089766.db2.gz UXSKQEFRDFNETN-WCQYABFASA-N 1 1 354.248 3.278 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000248836334 497115475 /nfs/dbraw/zinc/11/54/75/497115475.db2.gz NBIPCDJAMOZPHB-CXAGYDPISA-N 1 1 373.840 3.499 20 5 FGBDMO CCc1nc(C[NH+]2CCC(CNc3ncc([N+](=O)[O-])s3)CC2)cs1 ZINC000192453372 497119996 /nfs/dbraw/zinc/11/99/96/497119996.db2.gz PXDHCHNLEONANR-UHFFFAOYSA-N 1 1 367.500 3.394 20 5 FGBDMO Cn1c(=O)sc2cc(C[NH2+]Cc3ccc([N+](=O)[O-])cc3Cl)ccc21 ZINC000192739301 497200254 /nfs/dbraw/zinc/20/02/54/497200254.db2.gz YPNRQQYGGDQPPX-UHFFFAOYSA-N 1 1 363.826 3.451 20 5 FGBDMO CCn1nccc1C1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000278744361 497207255 /nfs/dbraw/zinc/20/72/55/497207255.db2.gz ALCBDVSGXYOORA-AWEZNQCLSA-N 1 1 371.441 3.018 20 5 FGBDMO COC[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCCO1 ZINC000278786878 497220812 /nfs/dbraw/zinc/22/08/12/497220812.db2.gz ZSNYSDMZGWOXFG-HZPDHXFCSA-N 1 1 363.439 3.002 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])c(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)n1 ZINC000578256426 505898758 /nfs/dbraw/zinc/89/87/58/505898758.db2.gz HGBWXWRSMNFHFV-SFHVURJKSA-N 1 1 370.453 3.175 20 5 FGBDMO O=[N+]([O-])c1ccc(OCCN2CC[NH+](C/C=C\c3ccccc3)CC2)cc1 ZINC000255362271 497364878 /nfs/dbraw/zinc/36/48/78/497364878.db2.gz RKAVRTJLTPVXGZ-DAXSKMNVSA-N 1 1 367.449 3.305 20 5 FGBDMO O=[N+]([O-])c1ccc(OCC[NH+]2CCN(C/C=C\c3ccccc3)CC2)cc1 ZINC000255362271 497364882 /nfs/dbraw/zinc/36/48/82/497364882.db2.gz RKAVRTJLTPVXGZ-DAXSKMNVSA-N 1 1 367.449 3.305 20 5 FGBDMO CCN1CC[C@@H]([N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)C1 ZINC000245418181 497395794 /nfs/dbraw/zinc/39/57/94/497395794.db2.gz GLFGDYVXHOLSAW-MAUKXSAKSA-N 1 1 372.469 3.454 20 5 FGBDMO CCN1CC[C@@H]([N@@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)C1 ZINC000245418181 497395798 /nfs/dbraw/zinc/39/57/98/497395798.db2.gz GLFGDYVXHOLSAW-MAUKXSAKSA-N 1 1 372.469 3.454 20 5 FGBDMO CC[N@@H+]1CC[C@@H](N(C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)C1 ZINC000245418181 497395800 /nfs/dbraw/zinc/39/58/00/497395800.db2.gz GLFGDYVXHOLSAW-MAUKXSAKSA-N 1 1 372.469 3.454 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)C1 ZINC000245418181 497395805 /nfs/dbraw/zinc/39/58/05/497395805.db2.gz GLFGDYVXHOLSAW-MAUKXSAKSA-N 1 1 372.469 3.454 20 5 FGBDMO O=C1C[C@@]2(CC[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C2)CN1 ZINC000279333549 497409737 /nfs/dbraw/zinc/40/97/37/497409737.db2.gz DJAITUJKNQTQQF-SFHVURJKSA-N 1 1 357.435 3.035 20 5 FGBDMO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc2c(c1)CC(=O)N2C ZINC000271827052 497462088 /nfs/dbraw/zinc/46/20/88/497462088.db2.gz OXGQXWYPOWLLOL-NSHDSACASA-N 1 1 366.377 3.106 20 5 FGBDMO COCc1cc([N+](=O)[O-])ccc1NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000267376349 497537696 /nfs/dbraw/zinc/53/76/96/497537696.db2.gz KTNNGUCZBXRJKZ-UHFFFAOYSA-N 1 1 371.441 3.229 20 5 FGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)cc1F ZINC000276324158 497545378 /nfs/dbraw/zinc/54/53/78/497545378.db2.gz PLHPCEVTEMWPLQ-INIZCTEOSA-N 1 1 352.406 3.284 20 5 FGBDMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000267417274 497546431 /nfs/dbraw/zinc/54/64/31/497546431.db2.gz KACOVIFSHMYZLD-CQSZACIVSA-N 1 1 359.813 3.253 20 5 FGBDMO C[C@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272274005 497583200 /nfs/dbraw/zinc/58/32/00/497583200.db2.gz LUOUAEQVXVJMKR-HOCLYGCPSA-N 1 1 371.412 3.374 20 5 FGBDMO C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272281541 497585184 /nfs/dbraw/zinc/58/51/84/497585184.db2.gz INBLLCOVDXCVTF-UKRRQHHQSA-N 1 1 359.451 3.297 20 5 FGBDMO CC(C)C[C@@H](CCO)C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272487806 497642468 /nfs/dbraw/zinc/64/24/68/497642468.db2.gz DGDRBMGRGMEREC-QAPCUYQASA-N 1 1 360.458 3.052 20 5 FGBDMO CO[C@]1(C)C[C@H]([NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000272562775 497664387 /nfs/dbraw/zinc/66/43/87/497664387.db2.gz UKGOTMFQLPUWFC-FRQCXROJSA-N 1 1 358.442 3.211 20 5 FGBDMO CCOc1cc(C[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)ccc1[N+](=O)[O-] ZINC000276883130 497678658 /nfs/dbraw/zinc/67/86/58/497678658.db2.gz JCRWQWSXLFWHSS-HNNXBMFYSA-N 1 1 371.441 3.369 20 5 FGBDMO CC[NH+](CC)Cc1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000276979896 497706422 /nfs/dbraw/zinc/70/64/22/497706422.db2.gz VTIPFVYIRDBQLH-UHFFFAOYSA-N 1 1 369.219 3.173 20 5 FGBDMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246373903 497712203 /nfs/dbraw/zinc/71/22/03/497712203.db2.gz HPOLWQIYXBSRND-XFQXTVEOSA-N 1 1 356.422 3.213 20 5 FGBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000268280929 497717449 /nfs/dbraw/zinc/71/74/49/497717449.db2.gz YDWBDQHIJXRGGT-LBPRGKRZSA-N 1 1 373.375 3.321 20 5 FGBDMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000268378800 497737215 /nfs/dbraw/zinc/73/72/15/497737215.db2.gz NOXXPFHVDDBXGL-ZWNOBZJWSA-N 1 1 359.348 3.072 20 5 FGBDMO CNC(=O)c1ccc(N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000272959984 497771807 /nfs/dbraw/zinc/77/18/07/497771807.db2.gz NKXIZHJBDKVZQT-UKRRQHHQSA-N 1 1 360.458 3.019 20 5 FGBDMO CNC(=O)c1ccc(N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000272959987 497771893 /nfs/dbraw/zinc/77/18/93/497771893.db2.gz NKXIZHJBDKVZQT-ZFWWWQNUSA-N 1 1 360.458 3.019 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000246840711 497815529 /nfs/dbraw/zinc/81/55/29/497815529.db2.gz AXKGTAMQFVKCSJ-IAGOWNOFSA-N 1 1 369.421 3.315 20 5 FGBDMO CO[C@]1(C)CCC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000280620784 497829623 /nfs/dbraw/zinc/82/96/23/497829623.db2.gz WNNRNJJLPCSDGM-YVEFUNNKSA-N 1 1 369.849 3.466 20 5 FGBDMO CO[C@]1(C)CCC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000280620784 497829624 /nfs/dbraw/zinc/82/96/24/497829624.db2.gz WNNRNJJLPCSDGM-YVEFUNNKSA-N 1 1 369.849 3.466 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000292074934 497866728 /nfs/dbraw/zinc/86/67/28/497866728.db2.gz CUSJEWNOWGJUDK-OAHLLOKOSA-N 1 1 374.485 3.038 20 5 FGBDMO COc1ccc(OC)c(NC(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000292235688 497933298 /nfs/dbraw/zinc/93/32/98/497933298.db2.gz WEWGHSQLYQBBDK-UHFFFAOYSA-N 1 1 373.409 3.075 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000364623431 498056278 /nfs/dbraw/zinc/05/62/78/498056278.db2.gz GKYWDALBBNIKSA-GUYCJALGSA-N 1 1 359.451 3.388 20 5 FGBDMO C[N@@H+](CCNc1ncc([N+](=O)[O-])cc1Br)C1CCCCC1 ZINC000301518868 498144950 /nfs/dbraw/zinc/14/49/50/498144950.db2.gz GFUKPTQJEUKYMY-UHFFFAOYSA-N 1 1 357.252 3.429 20 5 FGBDMO CN(CC[C@H]1CCCC[N@H+]1C)c1ncc([N+](=O)[O-])cc1Br ZINC000301534036 498152215 /nfs/dbraw/zinc/15/22/15/498152215.db2.gz MCFBFCTXNBOERC-LLVKDONJSA-N 1 1 357.252 3.063 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@H](OC)C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000281511718 498176868 /nfs/dbraw/zinc/17/68/68/498176868.db2.gz ABKCULLKIDNMDT-CMPLNLGQSA-N 1 1 360.357 3.204 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000281511718 498176874 /nfs/dbraw/zinc/17/68/74/498176874.db2.gz ABKCULLKIDNMDT-CMPLNLGQSA-N 1 1 360.357 3.204 20 5 FGBDMO CC(C)N(C)C(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000330829339 498200477 /nfs/dbraw/zinc/20/04/77/498200477.db2.gz XHAIUEQCYUXRIY-UHFFFAOYSA-N 1 1 353.850 3.327 20 5 FGBDMO C[C@H]1C[C@@H](c2cccnc2)[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000359883784 498227959 /nfs/dbraw/zinc/22/79/59/498227959.db2.gz XMGUDMYIICSIAA-KSSFIOAISA-N 1 1 354.410 3.036 20 5 FGBDMO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000359883784 498227965 /nfs/dbraw/zinc/22/79/65/498227965.db2.gz XMGUDMYIICSIAA-KSSFIOAISA-N 1 1 354.410 3.036 20 5 FGBDMO Cc1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301698917 498229943 /nfs/dbraw/zinc/22/99/43/498229943.db2.gz DLVWENJXOKGIAA-AEFFLSMTSA-N 1 1 367.453 3.281 20 5 FGBDMO C[C@H](CNc1ncc(Br)cc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000301703331 498230343 /nfs/dbraw/zinc/23/03/43/498230343.db2.gz UNMIAADZSPDFQQ-GHMZBOCLSA-N 1 1 357.252 3.285 20 5 FGBDMO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285930589 498245136 /nfs/dbraw/zinc/24/51/36/498245136.db2.gz UFUCJSPXGNQKCD-OAQYLSRUSA-N 1 1 365.433 3.333 20 5 FGBDMO CC(C)[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000331179414 498268430 /nfs/dbraw/zinc/26/84/30/498268430.db2.gz WREFAYDPXUBNJM-CQSZACIVSA-N 1 1 359.348 3.026 20 5 FGBDMO Cc1cc(N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301821811 498280568 /nfs/dbraw/zinc/28/05/68/498280568.db2.gz KILQEHNWQPEGCH-YOEHRIQHSA-N 1 1 355.442 3.279 20 5 FGBDMO O=[N+]([O-])c1cc2c(ncnc2N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000286163595 498310659 /nfs/dbraw/zinc/31/06/59/498310659.db2.gz JPUWWPRNZUCROT-BXUZGUMPSA-N 1 1 359.455 3.053 20 5 FGBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000575832954 506013793 /nfs/dbraw/zinc/01/37/93/506013793.db2.gz PIVOXDYNASPATD-NSHDSACASA-N 1 1 373.331 3.167 20 5 FGBDMO CCC[C@@H]1CN(c2c([N+](=O)[O-])c(C)nn2C)CC[N@H+]1Cc1ccccc1 ZINC000302025655 498374167 /nfs/dbraw/zinc/37/41/67/498374167.db2.gz PZEVHRMDYQUOKW-QGZVFWFLSA-N 1 1 357.458 3.128 20 5 FGBDMO COc1ccc(NC(=O)[C@@H]2CCCN(c3ccc(C)c[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000365295982 498391642 /nfs/dbraw/zinc/39/16/42/498391642.db2.gz AGHWOAFCGUGWTL-CQSZACIVSA-N 1 1 370.409 3.162 20 5 FGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)c1 ZINC000282157590 498405354 /nfs/dbraw/zinc/40/53/54/498405354.db2.gz TZACIOLMKYCFEW-LPHOPBHVSA-N 1 1 370.453 3.041 20 5 FGBDMO CCc1cc(NCCc2c[nH+]cn2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302149909 498418559 /nfs/dbraw/zinc/41/85/59/498418559.db2.gz LSIYUQAUCSGSEP-UHFFFAOYSA-N 1 1 352.398 3.002 20 5 FGBDMO C[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC[N@H+](C2CCC2)C1 ZINC000293588260 498421055 /nfs/dbraw/zinc/42/10/55/498421055.db2.gz BRVRAVMQBPABBX-CYBMUJFWSA-N 1 1 357.410 3.287 20 5 FGBDMO Cc1cc(CNC(=O)CCc2cccc([N+](=O)[O-])c2)cc(N2CCCC2)[nH+]1 ZINC000290275289 498491884 /nfs/dbraw/zinc/49/18/84/498491884.db2.gz COUHBJAJDHGDJJ-UHFFFAOYSA-N 1 1 368.437 3.147 20 5 FGBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000297589327 498503801 /nfs/dbraw/zinc/50/38/01/498503801.db2.gz RMERJOVISVCMKI-ZNXRZULTSA-N 1 1 360.458 3.140 20 5 FGBDMO C[C@@H](c1nc(-c2cccnc2)no1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282441801 498513683 /nfs/dbraw/zinc/51/36/83/498513683.db2.gz KZMBQNAMBIZGET-ZDUSSCGKSA-N 1 1 353.382 3.275 20 5 FGBDMO Cc1cc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c(Br)cc1[N+](=O)[O-] ZINC000302668029 498526823 /nfs/dbraw/zinc/52/68/23/498526823.db2.gz JVROGRFHOUACSR-NEPJUHHUSA-N 1 1 354.248 3.339 20 5 FGBDMO O=C(c1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000365746985 498623447 /nfs/dbraw/zinc/62/34/47/498623447.db2.gz OVDLNLXAOKMIKJ-OALUTQOASA-N 1 1 365.433 3.189 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC000298019319 498639045 /nfs/dbraw/zinc/63/90/45/498639045.db2.gz RFYJABDCDOHGPE-HNAYVOBHSA-N 1 1 360.458 3.092 20 5 FGBDMO C[N@H+]1CC[C@H](CNCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000365819631 498654751 /nfs/dbraw/zinc/65/47/51/498654751.db2.gz JTTAVFJSGBCWEK-VQIMIIECSA-N 1 1 370.409 3.286 20 5 FGBDMO Cc1ccc([C@@H](c2ccccn2)[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000365842038 498666350 /nfs/dbraw/zinc/66/63/50/498666350.db2.gz QDZONRYKHQLUIP-IBGZPJMESA-N 1 1 351.410 3.216 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)cccc1[N+](=O)[O-] ZINC000298246360 498708177 /nfs/dbraw/zinc/70/81/77/498708177.db2.gz JTQHCSFAOLDTPU-ZBFHGGJFSA-N 1 1 353.369 3.209 20 5 FGBDMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000332518742 498709364 /nfs/dbraw/zinc/70/93/64/498709364.db2.gz LEGNFMVWJRVZHY-FZMZJTMJSA-N 1 1 371.359 3.312 20 5 FGBDMO CC(C)c1[nH+]ccn1C[C@@H]1CCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000363228933 498715070 /nfs/dbraw/zinc/71/50/70/498715070.db2.gz YJZBNGHYVXWIQZ-INIZCTEOSA-N 1 1 356.426 3.148 20 5 FGBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000332651822 498754713 /nfs/dbraw/zinc/75/47/13/498754713.db2.gz UTOWKQHTWZASQD-KGLIPLIRSA-N 1 1 351.834 3.255 20 5 FGBDMO Cc1nc(N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000312119897 498758115 /nfs/dbraw/zinc/75/81/15/498758115.db2.gz UJFTVYFOFMMMPC-QZTJIDSGSA-N 1 1 352.438 3.257 20 5 FGBDMO O=C(C[N@@H+]1CC[C@H](c2cccc(F)c2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000581900115 506085489 /nfs/dbraw/zinc/08/54/89/506085489.db2.gz IACOEXUAXAKKNX-INIZCTEOSA-N 1 1 369.396 3.113 20 5 FGBDMO O=C(C[N@H+]1CC[C@H](c2cccc(F)c2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000581900115 506085494 /nfs/dbraw/zinc/08/54/94/506085494.db2.gz IACOEXUAXAKKNX-INIZCTEOSA-N 1 1 369.396 3.113 20 5 FGBDMO CCN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000366142752 498794975 /nfs/dbraw/zinc/79/49/75/498794975.db2.gz HEJXOPDFMSQFLH-CRAIPNDOSA-N 1 1 368.437 3.287 20 5 FGBDMO Cc1c[nH+]cn1C1CCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000366419381 498918103 /nfs/dbraw/zinc/91/81/03/498918103.db2.gz RBWAMADVBLYMOF-UHFFFAOYSA-N 1 1 364.352 3.055 20 5 FGBDMO CCC(=O)c1ccc(N2CCC(Cc3[nH+]ccn3C)CC2)c([N+](=O)[O-])c1 ZINC000366433475 498924923 /nfs/dbraw/zinc/92/49/23/498924923.db2.gz NZIJRNOTASOCCT-UHFFFAOYSA-N 1 1 356.426 3.380 20 5 FGBDMO C[C@@H]1C[C@H](N(C)C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[N@H+]1C ZINC000291438685 498940333 /nfs/dbraw/zinc/94/03/33/498940333.db2.gz HUGDZMKRFYKDEU-MWLCHTKSSA-N 1 1 360.241 3.456 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000363802849 498999511 /nfs/dbraw/zinc/99/95/11/498999511.db2.gz KRARIMKACVVPDI-HNNXBMFYSA-N 1 1 360.458 3.107 20 5 FGBDMO C[NH+]1CCC(Oc2ccc(CNCc3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000284197868 499066384 /nfs/dbraw/zinc/06/63/84/499066384.db2.gz YTKVFDMOCDOLSD-UHFFFAOYSA-N 1 1 355.438 3.358 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@]3(C2)CCCOC3)c([N+](=O)[O-])cc1OC(F)F ZINC000367067077 499143111 /nfs/dbraw/zinc/14/31/11/499143111.db2.gz LVBNNSJFDYLZHT-KRWDZBQOSA-N 1 1 372.368 3.207 20 5 FGBDMO CC(=O)c1ccc(N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC000372574393 499147902 /nfs/dbraw/zinc/14/79/02/499147902.db2.gz VJWYMZIFSBBNAB-PXNSSMCTSA-N 1 1 368.437 3.322 20 5 FGBDMO O=C(CC[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000367364135 499188888 /nfs/dbraw/zinc/18/88/88/499188888.db2.gz ACFZCMXFXZDAGS-JKSUJKDBSA-N 1 1 361.442 3.062 20 5 FGBDMO COCc1nccc([C@H]2CCC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)n1 ZINC000367418430 499196638 /nfs/dbraw/zinc/19/66/38/499196638.db2.gz HZINENZRFZUHHE-INIZCTEOSA-N 1 1 356.426 3.219 20 5 FGBDMO CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000367581450 499214741 /nfs/dbraw/zinc/21/47/41/499214741.db2.gz DXDHNYANJZQITK-OAHLLOKOSA-N 1 1 357.414 3.359 20 5 FGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@H](OCc3ccncc3)C2)cc1 ZINC000367892734 499242468 /nfs/dbraw/zinc/24/24/68/499242468.db2.gz SFCMAEKBRGZQLP-IBGZPJMESA-N 1 1 357.410 3.050 20 5 FGBDMO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000367926852 499246203 /nfs/dbraw/zinc/24/62/03/499246203.db2.gz MHIINNKHJSAGLE-AUUYWEPGSA-N 1 1 371.441 3.026 20 5 FGBDMO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000367926852 499246205 /nfs/dbraw/zinc/24/62/05/499246205.db2.gz MHIINNKHJSAGLE-AUUYWEPGSA-N 1 1 371.441 3.026 20 5 FGBDMO C[C@H](C(=O)N[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000368202018 499273801 /nfs/dbraw/zinc/27/38/01/499273801.db2.gz PDPSSRSTERWECO-SOVGHPHASA-N 1 1 371.412 3.051 20 5 FGBDMO CC(C)[C@H](O)C(C)(C)C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000582138013 506142421 /nfs/dbraw/zinc/14/24/21/506142421.db2.gz RFGRAMXXOMRBGE-IRXDYDNUSA-N 1 1 360.458 3.050 20 5 FGBDMO COc1cc(C[NH2+][C@@H]2CCOc3c(F)cccc32)c([N+](=O)[O-])cc1OC ZINC000368863669 499341026 /nfs/dbraw/zinc/34/10/26/499341026.db2.gz UIRJODPSJDGCGE-CQSZACIVSA-N 1 1 362.357 3.365 20 5 FGBDMO Cn1ccnc1[C@@H](N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000371666761 499352926 /nfs/dbraw/zinc/35/29/26/499352926.db2.gz WTESDMUCRRWHGI-APWZRJJASA-N 1 1 369.469 3.024 20 5 FGBDMO CCOC(=O)c1ccnc(N[C@H](C)C[N@@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000576377866 506143398 /nfs/dbraw/zinc/14/33/98/506143398.db2.gz ASDDIEFSWXJBTL-CQSZACIVSA-N 1 1 372.425 3.099 20 5 FGBDMO COc1cccc(N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000369332554 499392246 /nfs/dbraw/zinc/39/22/46/499392246.db2.gz WFSBYNNLYBEENY-YJBOKZPZSA-N 1 1 356.426 3.128 20 5 FGBDMO Cn1cc([C@H]2[C@H](CNc3c(F)cc([N+](=O)[O-])cc3F)CCC[N@H+]2C)cn1 ZINC000372132919 499401908 /nfs/dbraw/zinc/40/19/08/499401908.db2.gz ZZGFGTIUIHVKEL-APPDUMDISA-N 1 1 365.384 3.102 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)c1 ZINC000369656931 499432663 /nfs/dbraw/zinc/43/26/63/499432663.db2.gz MDQKZJRHSPRNRP-KRWDZBQOSA-N 1 1 366.377 3.218 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)c1 ZINC000369656931 499432665 /nfs/dbraw/zinc/43/26/65/499432665.db2.gz MDQKZJRHSPRNRP-KRWDZBQOSA-N 1 1 366.377 3.218 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(c2noc(C(C)C)n2)CC1 ZINC000373769272 499487104 /nfs/dbraw/zinc/48/71/04/499487104.db2.gz URRGEBMAMWAVPA-UHFFFAOYSA-N 1 1 360.414 3.489 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375283712 499502928 /nfs/dbraw/zinc/50/29/28/499502928.db2.gz FVQKLERIBMEFHI-SJKOYZFVSA-N 1 1 367.833 3.078 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375283712 499502930 /nfs/dbraw/zinc/50/29/30/499502930.db2.gz FVQKLERIBMEFHI-SJKOYZFVSA-N 1 1 367.833 3.078 20 5 FGBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000375292302 499503960 /nfs/dbraw/zinc/50/39/60/499503960.db2.gz MBVSYYRMMSHXNT-HNNXBMFYSA-N 1 1 356.426 3.013 20 5 FGBDMO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c1C ZINC000375405328 499514701 /nfs/dbraw/zinc/51/47/01/499514701.db2.gz QSQJHOYKYMDDPV-JKSUJKDBSA-N 1 1 371.441 3.072 20 5 FGBDMO Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c1C ZINC000375405328 499514703 /nfs/dbraw/zinc/51/47/03/499514703.db2.gz QSQJHOYKYMDDPV-JKSUJKDBSA-N 1 1 371.441 3.072 20 5 FGBDMO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000381029006 499544469 /nfs/dbraw/zinc/54/44/69/499544469.db2.gz WMDSQXIPQAFWQX-MSOLQXFVSA-N 1 1 369.469 3.078 20 5 FGBDMO CNc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000390713149 499554988 /nfs/dbraw/zinc/55/49/88/499554988.db2.gz BFCNHYBJPQBWMT-KRWDZBQOSA-N 1 1 368.437 3.031 20 5 FGBDMO C[C@H]([NH2+]CCN1CCN(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000390909744 499556253 /nfs/dbraw/zinc/55/62/53/499556253.db2.gz NRDVZYAZFKPTLO-SFHVURJKSA-N 1 1 368.481 3.063 20 5 FGBDMO CNc1ccc(C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000398015637 499566365 /nfs/dbraw/zinc/56/63/65/499566365.db2.gz WFDKQBQYSSEZAJ-WMLDXEAASA-N 1 1 368.437 3.029 20 5 FGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000408101787 499576589 /nfs/dbraw/zinc/57/65/89/499576589.db2.gz UADVZQSKNLFSED-FRRDWIJNSA-N 1 1 361.471 3.441 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CC[NH+](C2CCOCC2)CC1 ZINC000408108975 499576751 /nfs/dbraw/zinc/57/67/51/499576751.db2.gz WPYRGXHCVJBMPP-UHFFFAOYSA-N 1 1 360.241 3.203 20 5 FGBDMO COC[C@@H]1CCCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000376369039 499603508 /nfs/dbraw/zinc/60/35/08/499603508.db2.gz NVXLSSOKHLBZRK-CHWSQXEVSA-N 1 1 369.849 3.324 20 5 FGBDMO COC[C@@H]1CCCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000376369039 499603510 /nfs/dbraw/zinc/60/35/10/499603510.db2.gz NVXLSSOKHLBZRK-CHWSQXEVSA-N 1 1 369.849 3.324 20 5 FGBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)C[C@@H]21 ZINC000376729116 499632449 /nfs/dbraw/zinc/63/24/49/499632449.db2.gz OELLTQSJEIVSFH-OTYXRUKQSA-N 1 1 358.225 3.068 20 5 FGBDMO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000410505188 499665416 /nfs/dbraw/zinc/66/54/16/499665416.db2.gz UBYXTVIQYPDKKZ-CQSZACIVSA-N 1 1 359.348 3.026 20 5 FGBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000410505188 499665417 /nfs/dbraw/zinc/66/54/17/499665417.db2.gz UBYXTVIQYPDKKZ-CQSZACIVSA-N 1 1 359.348 3.026 20 5 FGBDMO CSc1ccc(C(=O)N2CCC(n3c[nH+]cc3C)CC2)cc1[N+](=O)[O-] ZINC000377604480 499709175 /nfs/dbraw/zinc/70/91/75/499709175.db2.gz WYXFALFLNYGVIK-UHFFFAOYSA-N 1 1 360.439 3.299 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000411498359 499747967 /nfs/dbraw/zinc/74/79/67/499747967.db2.gz BEHKNPHFBLBRRB-QRTARXTBSA-N 1 1 361.442 3.443 20 5 FGBDMO C[C@H]1C[C@H](c2cccnc2)[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000411522914 499750961 /nfs/dbraw/zinc/75/09/61/499750961.db2.gz GLLOGJMJGXOPNW-KBXCAEBGSA-N 1 1 354.410 3.402 20 5 FGBDMO CC(C)[C@H]1[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC12CCOCC2 ZINC000414133610 499763204 /nfs/dbraw/zinc/76/32/04/499763204.db2.gz APMJZKIWRZVOSF-GOSISDBHSA-N 1 1 361.442 3.060 20 5 FGBDMO COc1ccc(NC(=O)CCn2c[nH+]c3c2C[C@H](C)[C@@H](C)C3)c([N+](=O)[O-])c1 ZINC000411804568 499792650 /nfs/dbraw/zinc/79/26/50/499792650.db2.gz XAXXPQANBOYFIW-STQMWFEESA-N 1 1 372.425 3.200 20 5 FGBDMO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccccc1 ZINC000412086266 499821820 /nfs/dbraw/zinc/82/18/20/499821820.db2.gz BJMKBIWQDYEWRN-UIAACRFSSA-N 1 1 367.449 3.335 20 5 FGBDMO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412145933 499827872 /nfs/dbraw/zinc/82/78/72/499827872.db2.gz DRNZXPUPESPLRE-YTQUADARSA-N 1 1 357.454 3.079 20 5 FGBDMO CC(C)Oc1cc(C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000412150709 499828117 /nfs/dbraw/zinc/82/81/17/499828117.db2.gz XSQOEVCSRYQODX-INIZCTEOSA-N 1 1 363.458 3.328 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])cc1F)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425005732 499991119 /nfs/dbraw/zinc/99/11/19/499991119.db2.gz LPSIYHXOXQLFEL-HNAYVOBHSA-N 1 1 369.396 3.080 20 5 FGBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)c1 ZINC000429120101 500006411 /nfs/dbraw/zinc/00/64/11/500006411.db2.gz CJIKLPZEXVFDKC-OAHLLOKOSA-N 1 1 352.847 3.311 20 5 FGBDMO CC(C)(C)[N@H+]1CCc2nc(NC(=O)Cc3cccc([N+](=O)[O-])c3)sc2C1 ZINC000425077508 500013581 /nfs/dbraw/zinc/01/35/81/500013581.db2.gz IHKZMXMDIURMGM-UHFFFAOYSA-N 1 1 374.466 3.389 20 5 FGBDMO CC[C@@H]1C[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H](CC)O1 ZINC000421382813 500033125 /nfs/dbraw/zinc/03/31/25/500033125.db2.gz CIIQUUDPPMQJMI-QZTJIDSGSA-N 1 1 358.442 3.385 20 5 FGBDMO O=[N+]([O-])c1ccc2c(c1)[C@H](NC1CC[NH+]([C@H]3CCC[C@H]3O)CC1)CCCC2 ZINC000417311323 500036726 /nfs/dbraw/zinc/03/67/26/500036726.db2.gz OIFIJSMSGMNKBQ-QHAWAJNXSA-N 1 1 373.497 3.330 20 5 FGBDMO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CCN([C@H]3CCC[C@H]3O)CC1)CCCC2 ZINC000417311323 500036727 /nfs/dbraw/zinc/03/67/27/500036727.db2.gz OIFIJSMSGMNKBQ-QHAWAJNXSA-N 1 1 373.497 3.330 20 5 FGBDMO CCOc1cc(C[N@H+]2CC[C@H](C(=O)OC)[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000429364988 500061009 /nfs/dbraw/zinc/06/10/09/500061009.db2.gz HHUIJTMTUYHPOI-YOEHRIQHSA-N 1 1 350.415 3.013 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+]C(C)(C)C(=O)NCC1CCCCC1 ZINC000430204912 500208788 /nfs/dbraw/zinc/20/87/88/500208788.db2.gz MFWFSCDPYHRBLU-UHFFFAOYSA-N 1 1 363.458 3.168 20 5 FGBDMO CNC(=O)[C@]1(C)CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000430764464 500281793 /nfs/dbraw/zinc/28/17/93/500281793.db2.gz CVRUSUFBEGLMKA-GOSISDBHSA-N 1 1 359.451 3.281 20 5 FGBDMO C[C@H](C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000427605680 500410708 /nfs/dbraw/zinc/41/07/08/500410708.db2.gz BYSFCKNLYIDCJE-GRYCIOLGSA-N 1 1 373.375 3.491 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+]2CCc3cccc(C)c3C2)cc1[N+](=O)[O-] ZINC000433047344 500612426 /nfs/dbraw/zinc/61/24/26/500612426.db2.gz SDBVIAFWEGVLAR-UHFFFAOYSA-N 1 1 370.405 3.013 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CCc3cccc(C)c3C2)cc1[N+](=O)[O-] ZINC000433047344 500612429 /nfs/dbraw/zinc/61/24/29/500612429.db2.gz SDBVIAFWEGVLAR-UHFFFAOYSA-N 1 1 370.405 3.013 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000448287632 500744038 /nfs/dbraw/zinc/74/40/38/500744038.db2.gz NJTPDTRUUWOPIT-MRXNPFEDSA-N 1 1 361.486 3.357 20 5 FGBDMO O=[N+]([O-])c1cnc(NC[C@@H]2CCCC[N@@H+]2C2CC2)c(Br)c1 ZINC000433795217 500745464 /nfs/dbraw/zinc/74/54/64/500745464.db2.gz CGQZUMXBQUZJQC-NSHDSACASA-N 1 1 355.236 3.181 20 5 FGBDMO O=[N+]([O-])c1cnc(NC[C@@H]2CCCC[N@H+]2C2CC2)c(Br)c1 ZINC000433795217 500745467 /nfs/dbraw/zinc/74/54/67/500745467.db2.gz CGQZUMXBQUZJQC-NSHDSACASA-N 1 1 355.236 3.181 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+]3CC[C@@H](O)C(C)(C)C3)o2)c([N+](=O)[O-])c1 ZINC000438337343 500772476 /nfs/dbraw/zinc/77/24/76/500772476.db2.gz YFTVBLRSEHSFNI-GOSISDBHSA-N 1 1 360.410 3.456 20 5 FGBDMO C[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000611584702 506223096 /nfs/dbraw/zinc/22/30/96/506223096.db2.gz LCTPKOXMVZCKPH-UONOGXRCSA-N 1 1 370.453 3.459 20 5 FGBDMO CCOCCCN1CC[C@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000449139861 500933336 /nfs/dbraw/zinc/93/33/36/500933336.db2.gz LZBMRKAVFHWFCN-SCTDSRPQSA-N 1 1 363.502 3.252 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000439900789 500952860 /nfs/dbraw/zinc/95/28/60/500952860.db2.gz LOFCBUDPERNRAM-AWEZNQCLSA-N 1 1 362.386 3.011 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000435386583 500964825 /nfs/dbraw/zinc/96/48/25/500964825.db2.gz XKLRYIUWBQZRNQ-JCURWCKSSA-N 1 1 357.410 3.033 20 5 FGBDMO COc1ccc(-c2ccc(CN3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000435386583 500964828 /nfs/dbraw/zinc/96/48/28/500964828.db2.gz XKLRYIUWBQZRNQ-JCURWCKSSA-N 1 1 357.410 3.033 20 5 FGBDMO CCO[C@H]1CC[N@@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C[C@H]1C ZINC000449491259 501015523 /nfs/dbraw/zinc/01/55/23/501015523.db2.gz FZRDSJPKNZPYLI-RISCZKNCSA-N 1 1 374.384 3.452 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@@H](OC)[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000449491877 501016506 /nfs/dbraw/zinc/01/65/06/501016506.db2.gz AYEYYMOYZONRHD-BXUZGUMPSA-N 1 1 374.384 3.104 20 5 FGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](C)(NCC(=O)OC(C)(C)C)C1 ZINC000440517058 501018635 /nfs/dbraw/zinc/01/86/35/501018635.db2.gz HRUHQIGPPJGQGS-LIRRHRJNSA-N 1 1 363.458 3.052 20 5 FGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@](C)(NCC(=O)OC(C)(C)C)C1 ZINC000440517058 501018637 /nfs/dbraw/zinc/01/86/37/501018637.db2.gz HRUHQIGPPJGQGS-LIRRHRJNSA-N 1 1 363.458 3.052 20 5 FGBDMO CCO[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000449501747 501019457 /nfs/dbraw/zinc/01/94/57/501019457.db2.gz WBPKKNZAHKMYHJ-KSSFIOAISA-N 1 1 358.442 3.242 20 5 FGBDMO COc1cc(C[NH2+]Cc2cnccc2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000449524463 501024814 /nfs/dbraw/zinc/02/48/14/501024814.db2.gz NVYHTRCUBVXTMK-UHFFFAOYSA-N 1 1 367.352 3.241 20 5 FGBDMO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000449661487 501053337 /nfs/dbraw/zinc/05/33/37/501053337.db2.gz CDFLBHROTIBOGC-YVZNUBBCSA-N 1 1 357.376 3.424 20 5 FGBDMO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000449661487 501053340 /nfs/dbraw/zinc/05/33/40/501053340.db2.gz CDFLBHROTIBOGC-YVZNUBBCSA-N 1 1 357.376 3.424 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000440943641 501067022 /nfs/dbraw/zinc/06/70/22/501067022.db2.gz IZBWARPFVHCXHI-IAGOWNOFSA-N 1 1 361.442 3.264 20 5 FGBDMO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000449744332 501073144 /nfs/dbraw/zinc/07/31/44/501073144.db2.gz GIDAHQVXXNZQRL-CQSZACIVSA-N 1 1 372.425 3.090 20 5 FGBDMO CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000449744332 501073146 /nfs/dbraw/zinc/07/31/46/501073146.db2.gz GIDAHQVXXNZQRL-CQSZACIVSA-N 1 1 372.425 3.090 20 5 FGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+](CCN1CCOCC1)Cc1ccco1 ZINC000449763233 501079999 /nfs/dbraw/zinc/07/99/99/501079999.db2.gz PZDWHFDXFIGDSV-UTCJRWHESA-N 1 1 371.437 3.035 20 5 FGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+](CCN1CCOCC1)Cc1ccco1 ZINC000449763233 501080001 /nfs/dbraw/zinc/08/00/01/501080001.db2.gz PZDWHFDXFIGDSV-UTCJRWHESA-N 1 1 371.437 3.035 20 5 FGBDMO Cc1nc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000450347264 501096668 /nfs/dbraw/zinc/09/66/68/501096668.db2.gz OUMNJKOWAUVAED-PBHICJAKSA-N 1 1 355.442 3.183 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2csc(NC[C@H]3CCc4[nH+]ccn4C3)n2)cc1 ZINC000450487660 501134823 /nfs/dbraw/zinc/13/48/23/501134823.db2.gz DXIUSXIBSSKZPR-GFCCVEGCSA-N 1 1 355.423 3.011 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3c[nH]nc3-c3ccsc3)nc2c1 ZINC000446843003 501172639 /nfs/dbraw/zinc/17/26/39/501172639.db2.gz ZJBCBSLBSAAOKT-UHFFFAOYSA-N 1 1 354.395 3.213 20 5 FGBDMO COc1ccc(OCC[N@H+]2CCC[C@H](c3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000451007266 501238712 /nfs/dbraw/zinc/23/87/12/501238712.db2.gz UAOKVWJTRRWMBS-INIZCTEOSA-N 1 1 357.410 3.257 20 5 FGBDMO C[C@@H]1Cc2c([nH+]cn2CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000451334707 501268639 /nfs/dbraw/zinc/26/86/39/501268639.db2.gz BCUHUZBWTGBJIA-WDEREUQCSA-N 1 1 362.817 3.454 20 5 FGBDMO Cc1c(NC(=O)CCn2c[nH+]c3c2C[C@H](C)[C@H](C)C3)cccc1[N+](=O)[O-] ZINC000451342320 501269924 /nfs/dbraw/zinc/26/99/24/501269924.db2.gz NQUARWSWCNEYFY-OLZOCXBDSA-N 1 1 356.426 3.499 20 5 FGBDMO O=[N+]([O-])c1cccc([C@@H](NC[C@H]2CCCC[N@H+]2CCO)c2ccccc2)c1 ZINC000453270380 501303908 /nfs/dbraw/zinc/30/39/08/501303908.db2.gz SKNNAKXXIBHJGA-RTWAWAEBSA-N 1 1 369.465 3.121 20 5 FGBDMO O=[N+]([O-])c1cccc([C@@H](NC[C@H]2CCCC[N@@H+]2CCO)c2ccccc2)c1 ZINC000453270380 501303911 /nfs/dbraw/zinc/30/39/11/501303911.db2.gz SKNNAKXXIBHJGA-RTWAWAEBSA-N 1 1 369.465 3.121 20 5 FGBDMO CN(Cc1ccco1)C(=O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546358 501319389 /nfs/dbraw/zinc/31/93/89/501319389.db2.gz JBFCYRAJMPDQOF-MRXNPFEDSA-N 1 1 357.410 3.026 20 5 FGBDMO CN(Cc1ccco1)C(=O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546358 501319392 /nfs/dbraw/zinc/31/93/92/501319392.db2.gz JBFCYRAJMPDQOF-MRXNPFEDSA-N 1 1 357.410 3.026 20 5 FGBDMO O=C(C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)NCc1ccccc1F ZINC000451558783 501323974 /nfs/dbraw/zinc/32/39/74/501323974.db2.gz GRGGNIYHDDYFNV-KRWDZBQOSA-N 1 1 371.412 3.230 20 5 FGBDMO O=C(C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)NCc1ccccc1F ZINC000451558783 501323975 /nfs/dbraw/zinc/32/39/75/501323975.db2.gz GRGGNIYHDDYFNV-KRWDZBQOSA-N 1 1 371.412 3.230 20 5 FGBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCCC[C@@H]2CO)cc1OC ZINC000611661189 506247098 /nfs/dbraw/zinc/24/70/98/506247098.db2.gz MNPIBEJJFYJRCN-GDBMZVCRSA-N 1 1 366.458 3.375 20 5 FGBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCCC[C@@H]2CO)cc1OC ZINC000611661189 506247102 /nfs/dbraw/zinc/24/71/02/506247102.db2.gz MNPIBEJJFYJRCN-GDBMZVCRSA-N 1 1 366.458 3.375 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC3(CCC3)[C@H]2c2ccco2)c1 ZINC000451845335 501384549 /nfs/dbraw/zinc/38/45/49/501384549.db2.gz UUNKNXKKWVPLOE-MAUKXSAKSA-N 1 1 358.394 3.155 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC3(CCC3)[C@H]2c2ccco2)c1 ZINC000451845335 501384550 /nfs/dbraw/zinc/38/45/50/501384550.db2.gz UUNKNXKKWVPLOE-MAUKXSAKSA-N 1 1 358.394 3.155 20 5 FGBDMO CCc1[nH+]ccn1[C@H](C)CC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000592800901 506249829 /nfs/dbraw/zinc/24/98/29/506249829.db2.gz MXUZDDIUWSLNSA-CYBMUJFWSA-N 1 1 369.425 3.145 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451854581 501386247 /nfs/dbraw/zinc/38/62/47/501386247.db2.gz NPTDULWLVNLSOT-KDOFPFPSSA-N 1 1 358.394 3.155 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451854581 501386250 /nfs/dbraw/zinc/38/62/50/501386250.db2.gz NPTDULWLVNLSOT-KDOFPFPSSA-N 1 1 358.394 3.155 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@@]4(CCOC4)C3)o2)c1 ZINC000451904060 501397329 /nfs/dbraw/zinc/39/73/29/501397329.db2.gz QHCLUMSITMJDKZ-LJQANCHMSA-N 1 1 357.410 3.295 20 5 FGBDMO COC(=O)[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000452002414 501416926 /nfs/dbraw/zinc/41/69/26/501416926.db2.gz HMKMTCFHHJIJJU-OALUTQOASA-N 1 1 354.406 3.026 20 5 FGBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602665273 506251896 /nfs/dbraw/zinc/25/18/96/506251896.db2.gz GMGOACCUECJHCL-JOYOIKCWSA-N 1 1 362.293 3.191 20 5 FGBDMO COC[C@@H]1CCCC[N@@H+]1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000452034774 501421530 /nfs/dbraw/zinc/42/15/30/501421530.db2.gz FMDZQBSKGWTJMB-ZDUSSCGKSA-N 1 1 374.384 3.248 20 5 FGBDMO COC[C@@H]1CCCC[N@H+]1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000452034774 501421534 /nfs/dbraw/zinc/42/15/34/501421534.db2.gz FMDZQBSKGWTJMB-ZDUSSCGKSA-N 1 1 374.384 3.248 20 5 FGBDMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000456368270 501510416 /nfs/dbraw/zinc/51/04/16/501510416.db2.gz FFORTGRPCRXQNL-MRXNPFEDSA-N 1 1 368.437 3.213 20 5 FGBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000456368270 501510417 /nfs/dbraw/zinc/51/04/17/501510417.db2.gz FFORTGRPCRXQNL-MRXNPFEDSA-N 1 1 368.437 3.213 20 5 FGBDMO Cc1[nH+]ccn1CCCNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454324226 501513745 /nfs/dbraw/zinc/51/37/45/501513745.db2.gz OBINIFFNZGLCBL-QGZVFWFLSA-N 1 1 371.441 3.079 20 5 FGBDMO CC[C@@H](C)[NH+]1CCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000456563622 501549109 /nfs/dbraw/zinc/54/91/09/501549109.db2.gz WPCSJMUTNAPQHK-KGLIPLIRSA-N 1 1 351.472 3.018 20 5 FGBDMO C[C@H](NC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000458884548 501552461 /nfs/dbraw/zinc/55/24/61/501552461.db2.gz DGUQJHRNCRRXLW-INIZCTEOSA-N 1 1 368.437 3.183 20 5 FGBDMO C[N@@H+](CCCCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000454527891 501569966 /nfs/dbraw/zinc/56/99/66/501569966.db2.gz VTOHYILNVWYXLA-UHFFFAOYSA-N 1 1 372.372 3.192 20 5 FGBDMO CCC[N@H+]1CC[C@@H](CNC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000454585999 501584608 /nfs/dbraw/zinc/58/46/08/501584608.db2.gz OSIPBQTVKNWNMN-FUHWJXTLSA-N 1 1 374.485 3.216 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000456979258 501629211 /nfs/dbraw/zinc/62/92/11/501629211.db2.gz AHNQIVGXBKGSJX-YLJYHZDGSA-N 1 1 367.449 3.337 20 5 FGBDMO CC1(C)CCC[N@H+]1CCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000457057957 501642135 /nfs/dbraw/zinc/64/21/35/501642135.db2.gz PJLJBHXAZCTKQG-UHFFFAOYSA-N 1 1 369.849 3.008 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC4(CCC4)[C@H]4COC[C@@H]43)co2)cc1 ZINC000459666169 501695820 /nfs/dbraw/zinc/69/58/20/501695820.db2.gz HBZJVUYNJAMPNK-IRXDYDNUSA-N 1 1 355.394 3.251 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC4(CCC4)[C@H]4COC[C@@H]43)co2)cc1 ZINC000459666169 501695821 /nfs/dbraw/zinc/69/58/21/501695821.db2.gz HBZJVUYNJAMPNK-IRXDYDNUSA-N 1 1 355.394 3.251 20 5 FGBDMO CN(c1ncnc2ccc([N+](=O)[O-])cc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000611712034 506268713 /nfs/dbraw/zinc/26/87/13/506268713.db2.gz UFDUOKAVAZCRHD-KRWDZBQOSA-N 1 1 363.421 3.249 20 5 FGBDMO CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460313198 501789902 /nfs/dbraw/zinc/78/99/02/501789902.db2.gz FZZHWIQDYMEEOX-WMLDXEAASA-N 1 1 372.473 3.040 20 5 FGBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000470813100 501812561 /nfs/dbraw/zinc/81/25/61/501812561.db2.gz SFBSSYWPTFVETJ-HOCLYGCPSA-N 1 1 364.446 3.096 20 5 FGBDMO O=C1NC[C@@H]2[C@H]1CCC[N@@H+]2Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000467519432 501814299 /nfs/dbraw/zinc/81/42/99/501814299.db2.gz JEYVDNDMIRUFJB-HZPDHXFCSA-N 1 1 357.435 3.034 20 5 FGBDMO Cc1cc(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000467694935 501846946 /nfs/dbraw/zinc/84/69/46/501846946.db2.gz CNDTVAOXZNLPND-YJBOKZPZSA-N 1 1 353.422 3.296 20 5 FGBDMO Cc1cc(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000467694933 501847129 /nfs/dbraw/zinc/84/71/29/501847129.db2.gz CNDTVAOXZNLPND-MAUKXSAKSA-N 1 1 353.422 3.296 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000460681069 501895411 /nfs/dbraw/zinc/89/54/11/501895411.db2.gz OQBSYICYIWLNQS-UHFFFAOYSA-N 1 1 371.412 3.390 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000460681069 501895412 /nfs/dbraw/zinc/89/54/12/501895412.db2.gz OQBSYICYIWLNQS-UHFFFAOYSA-N 1 1 371.412 3.390 20 5 FGBDMO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000485755429 501926219 /nfs/dbraw/zinc/92/62/19/501926219.db2.gz NQSZUZKWBVFPNG-DLBZAZTESA-N 1 1 363.458 3.083 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cn1 ZINC000481991161 501938271 /nfs/dbraw/zinc/93/82/71/501938271.db2.gz NPIOVHIWFOIINF-PKOBYXMFSA-N 1 1 352.438 3.481 20 5 FGBDMO COc1cc(C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)ccc1[N+](=O)[O-] ZINC000485815046 501947877 /nfs/dbraw/zinc/94/78/77/501947877.db2.gz LWTKSJIGXANHNW-CQSZACIVSA-N 1 1 367.409 3.377 20 5 FGBDMO Cn1cc(Br)cc1C[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000468090730 501953118 /nfs/dbraw/zinc/95/31/18/501953118.db2.gz XOCKXHGQFCLYAL-UHFFFAOYSA-N 1 1 368.231 3.207 20 5 FGBDMO Cc1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000471394057 502009704 /nfs/dbraw/zinc/00/97/04/502009704.db2.gz JVOJQVGHTGZCLJ-KDURUIRLSA-N 1 1 365.433 3.107 20 5 FGBDMO COC(=O)c1ccc(Cl)c(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000482229070 502012400 /nfs/dbraw/zinc/01/24/00/502012400.db2.gz MSUOSCCTGSXBFQ-UHFFFAOYSA-N 1 1 364.785 3.333 20 5 FGBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000468483644 502076125 /nfs/dbraw/zinc/07/61/25/502076125.db2.gz KTAYACPDLHDIKE-QGZVFWFLSA-N 1 1 360.458 3.019 20 5 FGBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000468494534 502080916 /nfs/dbraw/zinc/08/09/16/502080916.db2.gz CQADXFDKJOJUOI-KRWDZBQOSA-N 1 1 362.474 3.024 20 5 FGBDMO Cn1cc[nH+]c1[C@H]1CCN(c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000596174889 506292325 /nfs/dbraw/zinc/29/23/25/506292325.db2.gz NXHZBWQYSGPUGW-JTQLQIEISA-N 1 1 351.204 3.085 20 5 FGBDMO Cc1ccccc1-n1nccc1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000475231538 502105399 /nfs/dbraw/zinc/10/53/99/502105399.db2.gz IIKRTRDDISGYQP-UHFFFAOYSA-N 1 1 362.393 3.255 20 5 FGBDMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1F ZINC000478896570 502114930 /nfs/dbraw/zinc/11/49/30/502114930.db2.gz ZJTMAESRLRSQBV-OAHLLOKOSA-N 1 1 372.400 3.378 20 5 FGBDMO CN(C(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475295578 502123929 /nfs/dbraw/zinc/12/39/29/502123929.db2.gz FJYDWDHKGQLCLN-MRXNPFEDSA-N 1 1 357.385 3.080 20 5 FGBDMO CCCC[N@@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000468698082 502151235 /nfs/dbraw/zinc/15/12/35/502151235.db2.gz DPLBUEKAKLNICF-HNNXBMFYSA-N 1 1 369.487 3.065 20 5 FGBDMO CCCC[N@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000468698082 502151240 /nfs/dbraw/zinc/15/12/40/502151240.db2.gz DPLBUEKAKLNICF-HNNXBMFYSA-N 1 1 369.487 3.065 20 5 FGBDMO COc1ccc(C[N@H+]2CCC[C@@]2(CO)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000475378137 502154056 /nfs/dbraw/zinc/15/40/56/502154056.db2.gz XYWYJBDELSFHIK-FQEVSTJZSA-N 1 1 356.422 3.173 20 5 FGBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000479166291 502181770 /nfs/dbraw/zinc/18/17/70/502181770.db2.gz RFNLZPFRZAXRTB-AWEZNQCLSA-N 1 1 356.426 3.227 20 5 FGBDMO C[C@@H]1CC[N@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)[C@@H]1C ZINC000482850787 502197152 /nfs/dbraw/zinc/19/71/52/502197152.db2.gz ALNYFTUQCPOYQG-VXGBXAGGSA-N 1 1 360.439 3.387 20 5 FGBDMO C[C@@H]1CC[N@@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)[C@@H]1C ZINC000482850787 502197154 /nfs/dbraw/zinc/19/71/54/502197154.db2.gz ALNYFTUQCPOYQG-VXGBXAGGSA-N 1 1 360.439 3.387 20 5 FGBDMO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[N@H+]1C1CCCC1 ZINC000482913509 502215136 /nfs/dbraw/zinc/21/51/36/502215136.db2.gz UUYUCCFMTPBVCD-MRXNPFEDSA-N 1 1 365.861 3.314 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+]2C[C@H](C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000475702858 502258792 /nfs/dbraw/zinc/25/87/92/502258792.db2.gz OEZBQLYQIVAQPR-VBKZILBWSA-N 1 1 370.405 3.340 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2C[C@H](C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000475702858 502258801 /nfs/dbraw/zinc/25/88/01/502258801.db2.gz OEZBQLYQIVAQPR-VBKZILBWSA-N 1 1 370.405 3.340 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@@H]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000475709181 502260109 /nfs/dbraw/zinc/26/01/09/502260109.db2.gz JNUOFTUWTFZVTA-MRXNPFEDSA-N 1 1 350.415 3.157 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@@]4(CCCOC4)C3)o2)cc1 ZINC000475742328 502276156 /nfs/dbraw/zinc/27/61/56/502276156.db2.gz OIODCSOGVLTLKX-GOSISDBHSA-N 1 1 358.398 3.037 20 5 FGBDMO COc1cc([C@@H](C)[NH2+]Cc2cn(C)nc2[N+](=O)[O-])ccc1OCC(C)C ZINC000602800040 506304206 /nfs/dbraw/zinc/30/42/06/506304206.db2.gz ITMMYVLLGPUOLR-CYBMUJFWSA-N 1 1 362.430 3.223 20 5 FGBDMO Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000462170601 502333504 /nfs/dbraw/zinc/33/35/04/502333504.db2.gz PKJKJJZULRUMJU-MAUKXSAKSA-N 1 1 353.422 3.154 20 5 FGBDMO Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000462198477 502345902 /nfs/dbraw/zinc/34/59/02/502345902.db2.gz JGROLRORICEFLL-CRAIPNDOSA-N 1 1 353.422 3.154 20 5 FGBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2c2ccc(Br)cc2)c1 ZINC000472439594 502352708 /nfs/dbraw/zinc/35/27/08/502352708.db2.gz UMFAXFDOJPDWGC-OAHLLOKOSA-N 1 1 365.231 3.391 20 5 FGBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]2c2ccc(Br)cc2)c1 ZINC000472439594 502352712 /nfs/dbraw/zinc/35/27/12/502352712.db2.gz UMFAXFDOJPDWGC-OAHLLOKOSA-N 1 1 365.231 3.391 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000480207319 502501978 /nfs/dbraw/zinc/50/19/78/502501978.db2.gz SJOKCEOCBKJAMS-OAHLLOKOSA-N 1 1 355.394 3.031 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000480207319 502501981 /nfs/dbraw/zinc/50/19/81/502501981.db2.gz SJOKCEOCBKJAMS-OAHLLOKOSA-N 1 1 355.394 3.031 20 5 FGBDMO COCC[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000602837856 506319570 /nfs/dbraw/zinc/31/95/70/506319570.db2.gz BGSDEYVSTXCQJB-AWEZNQCLSA-N 1 1 372.347 3.215 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCc2cc(C)ccc2C1 ZINC000483997366 502545903 /nfs/dbraw/zinc/54/59/03/502545903.db2.gz ZNJSLMNSHVGSPU-UHFFFAOYSA-N 1 1 369.421 3.299 20 5 FGBDMO C[C@@H]1[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC(=O)N1Cc1ccccc1 ZINC000466477401 502582837 /nfs/dbraw/zinc/58/28/37/502582837.db2.gz LGZLCJHCMBECSH-ACJLOTCBSA-N 1 1 357.385 3.013 20 5 FGBDMO C[C@@H](NC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000488004431 502596725 /nfs/dbraw/zinc/59/67/25/502596725.db2.gz AOUONQFODAXUAJ-LSDHHAIUSA-N 1 1 360.458 3.172 20 5 FGBDMO C[C@@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000484266819 502611361 /nfs/dbraw/zinc/61/13/61/502611361.db2.gz UDJNHMSVXXYTGO-XQQFMLRXSA-N 1 1 353.850 3.168 20 5 FGBDMO CNc1c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000462900867 502619177 /nfs/dbraw/zinc/61/91/77/502619177.db2.gz QBIPOHKQMBTAKR-INIZCTEOSA-N 1 1 372.425 3.187 20 5 FGBDMO Cn1cc[nH+]c1CC1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000484319379 502623793 /nfs/dbraw/zinc/62/37/93/502623793.db2.gz OPYBDHMUXPUFPS-UHFFFAOYSA-N 1 1 370.453 3.087 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000463034742 502669007 /nfs/dbraw/zinc/66/90/07/502669007.db2.gz FZCOAKCTIMOAII-AWEZNQCLSA-N 1 1 373.384 3.028 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000470145786 502678194 /nfs/dbraw/zinc/67/81/94/502678194.db2.gz ZBKLGHSOWWQOJD-DLBZAZTESA-N 1 1 358.373 3.301 20 5 FGBDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000470165605 502688964 /nfs/dbraw/zinc/68/89/64/502688964.db2.gz MWWMMTDDIRQKAJ-FQEVSTJZSA-N 1 1 369.465 3.410 20 5 FGBDMO Cc1ccc([C@H]2CCC[N@H+]2C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000484632317 502689966 /nfs/dbraw/zinc/68/99/66/502689966.db2.gz YHEAKSFSMBMYBR-UYAOXDASSA-N 1 1 356.422 3.480 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000470170095 502692351 /nfs/dbraw/zinc/69/23/51/502692351.db2.gz OKCJKRWLRGUYOZ-XYSGSMRZSA-N 1 1 359.470 3.042 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000488484640 502728154 /nfs/dbraw/zinc/72/81/54/502728154.db2.gz VEPNPXQGDJYMRI-KUHUBIRLSA-N 1 1 371.412 3.374 20 5 FGBDMO CC[N@@H+](Cc1ccc(OC)cc1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000488509779 502736384 /nfs/dbraw/zinc/73/63/84/502736384.db2.gz AQSYKHIABFAGTG-CQSZACIVSA-N 1 1 357.410 3.453 20 5 FGBDMO O=C(NC1CC1)c1ccc(NC[C@H]2CC[N@H+]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000599128008 506334478 /nfs/dbraw/zinc/33/44/78/506334478.db2.gz UQCVBIJPPWMTNX-QGZVFWFLSA-N 1 1 372.469 3.306 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)CC[C@H]1CCCO1 ZINC000467131079 502797134 /nfs/dbraw/zinc/79/71/34/502797134.db2.gz VNJBWMMPINZWJL-WCQYABFASA-N 1 1 355.822 3.076 20 5 FGBDMO C[N@H+]1CC[C@]2(CCN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])C2)C1 ZINC000488738590 502798635 /nfs/dbraw/zinc/79/86/35/502798635.db2.gz VNGKQZUUUGBIHB-NRFANRHFSA-N 1 1 365.433 3.358 20 5 FGBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)cc1 ZINC000463433105 502801204 /nfs/dbraw/zinc/80/12/04/502801204.db2.gz ACEQUMPRFYENSV-OAQYLSRUSA-N 1 1 370.449 3.291 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000509127239 502827951 /nfs/dbraw/zinc/82/79/51/502827951.db2.gz CMCUNLLNQGEMBG-AWEZNQCLSA-N 1 1 351.472 3.263 20 5 FGBDMO C[C@@H]1C[C@H](c2ccccc2)[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000513228597 502884196 /nfs/dbraw/zinc/88/41/96/502884196.db2.gz LNJVJWPXZKUPQG-XFQXTVEOSA-N 1 1 356.422 3.418 20 5 FGBDMO COc1cc[nH+]c(N2CCN(Cc3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)c1 ZINC000513391556 502923486 /nfs/dbraw/zinc/92/34/86/502923486.db2.gz DEIZBIYRBBPBPZ-UHFFFAOYSA-N 1 1 370.453 3.444 20 5 FGBDMO COc1ccc(CCC[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000513403937 502928250 /nfs/dbraw/zinc/92/82/50/502928250.db2.gz YVBIPLZUOUYNGK-UHFFFAOYSA-N 1 1 371.437 3.415 20 5 FGBDMO COc1ccccc1C[NH+]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000513421706 502934025 /nfs/dbraw/zinc/93/40/25/502934025.db2.gz YHZCSQNSMDQTAA-UHFFFAOYSA-N 1 1 355.438 3.230 20 5 FGBDMO CC(C)[C@@H]1C[C@H]([NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000513665872 502995177 /nfs/dbraw/zinc/99/51/77/502995177.db2.gz HVCTYQIZKCTTRP-BPQIPLTHSA-N 1 1 358.442 3.211 20 5 FGBDMO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506211665 503070468 /nfs/dbraw/zinc/07/04/68/503070468.db2.gz TZXHVVJOCJKZQT-UHFFFAOYSA-N 1 1 357.410 3.024 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]CCc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000514081102 503082290 /nfs/dbraw/zinc/08/22/90/503082290.db2.gz ARZDVCHNBKHFIX-SFHVURJKSA-N 1 1 354.385 3.389 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000506275669 503083921 /nfs/dbraw/zinc/08/39/21/503083921.db2.gz OTIVCDVVQDHNMD-KGLIPLIRSA-N 1 1 351.472 3.066 20 5 FGBDMO CC[C@H](CNC(=O)c1cc(C)cc([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000498032212 503091598 /nfs/dbraw/zinc/09/15/98/503091598.db2.gz CUGLVPUKNZNRGK-LJQANCHMSA-N 1 1 367.449 3.470 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C[C@H]1C ZINC000514200498 503111459 /nfs/dbraw/zinc/11/14/59/503111459.db2.gz VSZXSZFUETXENJ-DGCLKSJQSA-N 1 1 371.384 3.141 20 5 FGBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1C ZINC000498548621 503205955 /nfs/dbraw/zinc/20/59/55/503205955.db2.gz BTGASIUUQUMWSB-STQMWFEESA-N 1 1 374.466 3.273 20 5 FGBDMO O=C(c1ccccc1[N+](=O)[O-])N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000507096994 503231103 /nfs/dbraw/zinc/23/11/03/503231103.db2.gz LYPPASQMKNDMES-UHFFFAOYSA-N 1 1 367.449 3.376 20 5 FGBDMO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511075585 503247455 /nfs/dbraw/zinc/24/74/55/503247455.db2.gz RWBMCTROBMIDNL-KONPQCLYSA-N 1 1 361.486 3.399 20 5 FGBDMO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511075585 503247457 /nfs/dbraw/zinc/24/74/57/503247457.db2.gz RWBMCTROBMIDNL-KONPQCLYSA-N 1 1 361.486 3.399 20 5 FGBDMO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)n1 ZINC000491138017 503278415 /nfs/dbraw/zinc/27/84/15/503278415.db2.gz HJKBSYVQETZKFW-OAHLLOKOSA-N 1 1 372.400 3.288 20 5 FGBDMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)n1 ZINC000491138017 503278419 /nfs/dbraw/zinc/27/84/19/503278419.db2.gz HJKBSYVQETZKFW-OAHLLOKOSA-N 1 1 372.400 3.288 20 5 FGBDMO Cc1cc(F)cc2c1C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000502878470 503295906 /nfs/dbraw/zinc/29/59/06/503295906.db2.gz SFJFWLGQSOPMOU-UHFFFAOYSA-N 1 1 357.385 3.429 20 5 FGBDMO Cc1ccccc1[C@@]1(F)CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000502890639 503300314 /nfs/dbraw/zinc/30/03/14/503300314.db2.gz BUJBSPXUGZRLCX-OXQOHEQNSA-N 1 1 374.412 3.214 20 5 FGBDMO Cc1ccccc1[C@@]1(F)CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000502890639 503300318 /nfs/dbraw/zinc/30/03/18/503300318.db2.gz BUJBSPXUGZRLCX-OXQOHEQNSA-N 1 1 374.412 3.214 20 5 FGBDMO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(CCCN2CCOCC2)CC1 ZINC000507705085 503351615 /nfs/dbraw/zinc/35/16/15/503351615.db2.gz VBGSRVOYACBSHX-QPJJXVBHSA-N 1 1 373.497 3.432 20 5 FGBDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000499439794 503404865 /nfs/dbraw/zinc/40/48/65/503404865.db2.gz FKFGBBKMNWGEAF-ZIAGYGMSSA-N 1 1 359.451 3.391 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000499439794 503404869 /nfs/dbraw/zinc/40/48/69/503404869.db2.gz FKFGBBKMNWGEAF-ZIAGYGMSSA-N 1 1 359.451 3.391 20 5 FGBDMO Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000494047588 503478956 /nfs/dbraw/zinc/47/89/56/503478956.db2.gz JAOXRJZCYBMTOS-YJBOKZPZSA-N 1 1 353.422 3.296 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000516385001 503504634 /nfs/dbraw/zinc/50/46/34/503504634.db2.gz PUPFSCSTFYNPQK-OKILXGFUSA-N 1 1 359.426 3.439 20 5 FGBDMO C/C(=C/c1ccccc1)C[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000494235465 503509551 /nfs/dbraw/zinc/50/95/51/503509551.db2.gz WSWZCPQIHUBISN-XSVZSIDJSA-N 1 1 356.422 3.370 20 5 FGBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)C1 ZINC000494373184 503532340 /nfs/dbraw/zinc/53/23/40/503532340.db2.gz XAAFWMODTRBJCS-HWWQOWPSSA-N 1 1 366.849 3.442 20 5 FGBDMO CC(C)(NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000516582559 503542439 /nfs/dbraw/zinc/54/24/39/503542439.db2.gz RNFLIEQJYZDICE-KRWDZBQOSA-N 1 1 367.449 3.468 20 5 FGBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000516807892 503591513 /nfs/dbraw/zinc/59/15/13/503591513.db2.gz JIBDCALLAKGYRC-CVEARBPZSA-N 1 1 355.438 3.335 20 5 FGBDMO C[C@H](C[N@@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccccc1 ZINC000533262995 503783021 /nfs/dbraw/zinc/78/30/21/503783021.db2.gz CLGUQMNZUKMHQI-DNVCBOLYSA-N 1 1 353.422 3.436 20 5 FGBDMO CCCC[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C(=O)Nc1cc(C)on1 ZINC000537037712 503785978 /nfs/dbraw/zinc/78/59/78/503785978.db2.gz WCZYZGDTMXJSDK-UKRRQHHQSA-N 1 1 360.414 3.161 20 5 FGBDMO CCN1CC[C@H]([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000533310237 503804244 /nfs/dbraw/zinc/80/42/44/503804244.db2.gz FHPQHYSFBFAUAI-HOTGVXAUSA-N 1 1 362.474 3.036 20 5 FGBDMO CCN1CC[C@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000533310237 503804250 /nfs/dbraw/zinc/80/42/50/503804250.db2.gz FHPQHYSFBFAUAI-HOTGVXAUSA-N 1 1 362.474 3.036 20 5 FGBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000517676945 503804796 /nfs/dbraw/zinc/80/47/96/503804796.db2.gz UTHGCFAZUSJBOG-GXTWGEPZSA-N 1 1 369.849 3.006 20 5 FGBDMO CC(C)[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000546610799 503806790 /nfs/dbraw/zinc/80/67/90/503806790.db2.gz PWKJVXFZVDAUIB-KRWDZBQOSA-N 1 1 370.453 3.133 20 5 FGBDMO C[N@@H+](CCc1cccc(NC(=O)Cc2ccccc2[N+](=O)[O-])c1)C1CC1 ZINC000537127969 503812406 /nfs/dbraw/zinc/81/24/06/503812406.db2.gz ODVUFGGUSIDBCP-UHFFFAOYSA-N 1 1 353.422 3.413 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[NH+](C/C=C\c3ccccc3)CC2)n1 ZINC000541005845 503972465 /nfs/dbraw/zinc/97/24/65/503972465.db2.gz BQNOBHKQDMTMMZ-TWGQIWQCSA-N 1 1 352.438 3.442 20 5 FGBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000541015445 503975689 /nfs/dbraw/zinc/97/56/89/503975689.db2.gz ZRYMGBNDOKKFCD-LBPRGKRZSA-N 1 1 371.384 3.046 20 5 FGBDMO COc1ccc2c(c1)C[C@H](C)[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]2C ZINC000541020835 503976648 /nfs/dbraw/zinc/97/66/48/503976648.db2.gz JWIMZIQKJCXEEB-QWHCGFSZSA-N 1 1 369.421 3.210 20 5 FGBDMO COc1ccc2c(c1)C[C@H](C)[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]2C ZINC000541020835 503976650 /nfs/dbraw/zinc/97/66/50/503976650.db2.gz JWIMZIQKJCXEEB-QWHCGFSZSA-N 1 1 369.421 3.210 20 5 FGBDMO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000544116451 504012748 /nfs/dbraw/zinc/01/27/48/504012748.db2.gz GZNKWDDOQICKAM-FZKQIMNGSA-N 1 1 369.421 3.285 20 5 FGBDMO O=[N+]([O-])c1c(N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)ccc2ncccc21 ZINC000534270802 504091672 /nfs/dbraw/zinc/09/16/72/504091672.db2.gz CZFPODLLYDCROF-FUHWJXTLSA-N 1 1 356.426 3.198 20 5 FGBDMO Cc1cnc([C@H](C)[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)o1 ZINC000547833331 504240975 /nfs/dbraw/zinc/24/09/75/504240975.db2.gz XOYAFSRHBCUHPC-ZDUSSCGKSA-N 1 1 370.413 3.041 20 5 FGBDMO Cc1cnc([C@H](C)[N@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)o1 ZINC000547833331 504240983 /nfs/dbraw/zinc/24/09/83/504240983.db2.gz XOYAFSRHBCUHPC-ZDUSSCGKSA-N 1 1 370.413 3.041 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])c(N[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000541935916 504308697 /nfs/dbraw/zinc/30/86/97/504308697.db2.gz KAKXCAYYGAJFQG-AEFFLSMTSA-N 1 1 370.453 3.308 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])c(N[C@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000541935916 504308700 /nfs/dbraw/zinc/30/87/00/504308700.db2.gz KAKXCAYYGAJFQG-AEFFLSMTSA-N 1 1 370.453 3.308 20 5 FGBDMO Cc1ccc([C@@H](C)NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000531471800 504319328 /nfs/dbraw/zinc/31/93/28/504319328.db2.gz SEKWZDUUCFYLCX-OAHLLOKOSA-N 1 1 362.474 3.480 20 5 FGBDMO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CC[C@H](C3CC3)C2)c1 ZINC000519756322 504329010 /nfs/dbraw/zinc/32/90/10/504329010.db2.gz WIMVNYHZMMUEEI-LBPRGKRZSA-N 1 1 372.206 3.431 20 5 FGBDMO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CC[C@H](C3CC3)C2)c1 ZINC000519756322 504329015 /nfs/dbraw/zinc/32/90/15/504329015.db2.gz WIMVNYHZMMUEEI-LBPRGKRZSA-N 1 1 372.206 3.431 20 5 FGBDMO COc1cc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc2c1OCO2 ZINC000535072388 504335367 /nfs/dbraw/zinc/33/53/67/504335367.db2.gz RIVLXVJWWMNWMQ-UHFFFAOYSA-N 1 1 356.378 3.497 20 5 FGBDMO COc1cc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc2c1OCO2 ZINC000535072388 504335370 /nfs/dbraw/zinc/33/53/70/504335370.db2.gz RIVLXVJWWMNWMQ-UHFFFAOYSA-N 1 1 356.378 3.497 20 5 FGBDMO COc1c(C)cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1C ZINC000538736089 504351184 /nfs/dbraw/zinc/35/11/84/504351184.db2.gz YPPUVTWYKIXNBC-INIZCTEOSA-N 1 1 356.426 3.302 20 5 FGBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000545156359 504378280 /nfs/dbraw/zinc/37/82/80/504378280.db2.gz PIWMWJSAYSMADV-ZIAGYGMSSA-N 1 1 365.449 3.248 20 5 FGBDMO C[C@H](NC[C@@]1(O)CC[N@H+](C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000545159135 504379251 /nfs/dbraw/zinc/37/92/51/504379251.db2.gz UZOITLWRWLYFBJ-UGSOOPFHSA-N 1 1 361.467 3.041 20 5 FGBDMO 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504644482 /nfs/dbraw/zinc/64/44/82/504644482.db2.gz YOEQZRDGPHNZBD-OAHLLOKOSA-N 1 1 362.348 3.129 20 5 FGBDMO CCCCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000521141219 504659516 /nfs/dbraw/zinc/65/95/16/504659516.db2.gz RFRHPQDOKIVQQP-UHFFFAOYSA-N 1 1 365.478 3.178 20 5 FGBDMO CCc1nc(NC(=O)C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)sc1C ZINC000549167169 504710066 /nfs/dbraw/zinc/71/00/66/504710066.db2.gz FPLQKARCXFPITP-UHFFFAOYSA-N 1 1 362.455 3.035 20 5 FGBDMO CCc1nc(NC(=O)C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)sc1C ZINC000549167169 504710069 /nfs/dbraw/zinc/71/00/69/504710069.db2.gz FPLQKARCXFPITP-UHFFFAOYSA-N 1 1 362.455 3.035 20 5 FGBDMO COc1ccccc1C[N@@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000532760830 504753502 /nfs/dbraw/zinc/75/35/02/504753502.db2.gz CUWHEFXSXDJISH-UHFFFAOYSA-N 1 1 371.393 3.033 20 5 FGBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000532821578 504764366 /nfs/dbraw/zinc/76/43/66/504764366.db2.gz RTAWUFQMYBPZBY-UHFFFAOYSA-N 1 1 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/nfs/dbraw/zinc/39/57/73/505395773.db2.gz UZEADXMPIIOZCS-UHFFFAOYSA-N 1 1 366.377 3.488 20 5 FGBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000558739870 505478551 /nfs/dbraw/zinc/47/85/51/505478551.db2.gz WWZPHUJWSIZMGS-UHFFFAOYSA-N 1 1 371.481 3.154 20 5 FGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000558739870 505478554 /nfs/dbraw/zinc/47/85/54/505478554.db2.gz WWZPHUJWSIZMGS-UHFFFAOYSA-N 1 1 371.481 3.154 20 5 FGBDMO Cc1ccc(C[N@H+](Cc2ccccc2)C[C@]2(O)CCO[C@H]2C)cc1[N+](=O)[O-] ZINC000561982367 505483795 /nfs/dbraw/zinc/48/37/95/505483795.db2.gz NIHIPBLJJFHKMW-LAUBAEHRSA-N 1 1 370.449 3.445 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCc2ccccc2[C@@H](C)C1 ZINC000593095431 506389206 /nfs/dbraw/zinc/38/92/06/506389206.db2.gz MFYXWSOUQQNOGA-AWEZNQCLSA-N 1 1 369.421 3.204 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCc2ccccc2[C@@H](C)C1 ZINC000593095431 506389211 /nfs/dbraw/zinc/38/92/11/506389211.db2.gz MFYXWSOUQQNOGA-AWEZNQCLSA-N 1 1 369.421 3.204 20 5 FGBDMO O=[N+]([O-])c1cccc(Cl)c1NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000596423305 506399144 /nfs/dbraw/zinc/39/91/44/506399144.db2.gz KWOPKEWEQOGGFD-OAHLLOKOSA-N 1 1 361.829 3.427 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)ccc1NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000596424543 506399557 /nfs/dbraw/zinc/39/95/57/506399557.db2.gz RSJOEDGPOZCMCP-INIZCTEOSA-N 1 1 361.829 3.427 20 5 FGBDMO O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000596471141 506424273 /nfs/dbraw/zinc/42/42/73/506424273.db2.gz WBPJMQBJOWGRFA-GFCCVEGCSA-N 1 1 350.394 3.262 20 5 FGBDMO COc1cc(-c2nc(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)no2)cc([N+](=O)[O-])c1C ZINC000589136703 506453636 /nfs/dbraw/zinc/45/36/36/506453636.db2.gz BJKCIMPOYLLDKU-QXMXGUDHSA-N 1 1 358.398 3.302 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@@H](C[C@H]3CCOC3)C1)OCCO2 ZINC000589200138 506481174 /nfs/dbraw/zinc/48/11/74/506481174.db2.gz SJOXPOHXFNKQTG-LSDHHAIUSA-N 1 1 362.426 3.005 20 5 FGBDMO CC1(C)[C@@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000603401149 506502908 /nfs/dbraw/zinc/50/29/08/506502908.db2.gz ZTQYOCFSCDLEEB-GJZGRUSLSA-N 1 1 371.384 3.107 20 5 FGBDMO O=C1C[C@@]2(CCCN(Cc3cc(O)ccc3[N+](=O)[O-])C2)Oc2ccccc21 ZINC000599576917 506507792 /nfs/dbraw/zinc/50/77/92/506507792.db2.gz XYLZIDDTHJEZPE-HXUWFJFHSA-N 1 1 368.389 3.300 20 5 FGBDMO COc1cc(C[NH+]2CCN(c3cccc4[nH]ccc43)CC2)ccc1[N+](=O)[O-] ZINC000599623431 506535216 /nfs/dbraw/zinc/53/52/16/506535216.db2.gz QEGRWDONAMQSHD-UHFFFAOYSA-N 1 1 366.421 3.407 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+][C@@H]1CNc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000593319257 506535734 /nfs/dbraw/zinc/53/57/34/506535734.db2.gz KLFREQUPEBVVKF-LPHOPBHVSA-N 1 1 363.421 3.044 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC(c3ccccn3)CC2)c1 ZINC000589496711 506568496 /nfs/dbraw/zinc/56/84/96/506568496.db2.gz GDOCFTWPORSNKW-UHFFFAOYSA-N 1 1 355.394 3.156 20 5 FGBDMO CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589501698 506570015 /nfs/dbraw/zinc/57/00/15/506570015.db2.gz WJCXJTJCJAZTAW-CABCVRRESA-N 1 1 352.456 3.487 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](c3ccc(OC)cc3)C2)c1 ZINC000589499382 506570063 /nfs/dbraw/zinc/57/00/63/506570063.db2.gz PKHVDVJKFDTXAN-INIZCTEOSA-N 1 1 370.405 3.380 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@H](C)Cc2ccccc2OC)c1 ZINC000589498481 506571172 /nfs/dbraw/zinc/57/11/72/506571172.db2.gz RFJQNXUNOPCFQM-CQSZACIVSA-N 1 1 372.421 3.453 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](C)c2ccc(OC)c(F)c2)c1 ZINC000589507906 506573813 /nfs/dbraw/zinc/57/38/13/506573813.db2.gz DGXMEBNQYJVIRT-LLVKDONJSA-N 1 1 362.357 3.380 20 5 FGBDMO COC(=O)C1C[C@H](C)[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)C1 ZINC000599694889 506585897 /nfs/dbraw/zinc/58/58/97/506585897.db2.gz IRXVVCFDPUUMPB-STQMWFEESA-N 1 1 373.409 3.412 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000603693157 506597483 /nfs/dbraw/zinc/59/74/83/506597483.db2.gz QVAAUZDWTKWMTG-OKILXGFUSA-N 1 1 365.499 3.415 20 5 FGBDMO C[C@H](NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000599745993 506614514 /nfs/dbraw/zinc/61/45/14/506614514.db2.gz YHYFMTCKNAOOQM-JCGIZDLHSA-N 1 1 353.422 3.117 20 5 FGBDMO O=[N+]([O-])c1cc(F)ccc1N1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000593495800 506653836 /nfs/dbraw/zinc/65/38/36/506653836.db2.gz JGNXVSHILOTLDR-PMACEKPBSA-N 1 1 371.412 3.214 20 5 FGBDMO O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000596972055 506704431 /nfs/dbraw/zinc/70/44/31/506704431.db2.gz QSRAMQLBIVREOO-LJQANCHMSA-N 1 1 367.449 3.166 20 5 FGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(Br)cn1 ZINC000583310026 506708954 /nfs/dbraw/zinc/70/89/54/506708954.db2.gz ITQGNQKAHYYMPM-UHFFFAOYSA-N 1 1 350.216 3.427 20 5 FGBDMO C[C@@H](CNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000609026175 506765446 /nfs/dbraw/zinc/76/54/46/506765446.db2.gz OXCVRPPSLMNATG-CABCVRRESA-N 1 1 374.485 3.044 20 5 FGBDMO CC(C)(C)[N@H+]1CCCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC1 ZINC000597095463 506771873 /nfs/dbraw/zinc/77/18/73/506771873.db2.gz VWVYSXRBOCNRCW-UHFFFAOYSA-N 1 1 369.853 3.169 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1ncn(-c2ccccc2)n1)C1CC1 ZINC000590262710 506777158 /nfs/dbraw/zinc/77/71/58/506777158.db2.gz HGDSWALMJVPREK-GOSISDBHSA-N 1 1 363.421 3.286 20 5 FGBDMO CC[N@H+]1C[C@@H](C)N(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000583588402 506863997 /nfs/dbraw/zinc/86/39/97/506863997.db2.gz BMNRQQYDEIFLIP-HZSPNIEDSA-N 1 1 351.472 3.017 20 5 FGBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000583588402 506864004 /nfs/dbraw/zinc/86/40/04/506864004.db2.gz BMNRQQYDEIFLIP-HZSPNIEDSA-N 1 1 351.472 3.017 20 5 FGBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)C1 ZINC000590577900 506866722 /nfs/dbraw/zinc/86/67/22/506866722.db2.gz INNZTPNJLFOVKR-LBPRGKRZSA-N 1 1 369.849 3.203 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](c3cc(C)ccn3)C2)c1 ZINC000594004439 506876117 /nfs/dbraw/zinc/87/61/17/506876117.db2.gz HZWGZCZIFDSCMO-OAHLLOKOSA-N 1 1 355.394 3.074 20 5 FGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000590602799 506876245 /nfs/dbraw/zinc/87/62/45/506876245.db2.gz XSROIQSGUIVADK-CABCVRRESA-N 1 1 354.410 3.196 20 5 FGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000590602799 506876251 /nfs/dbraw/zinc/87/62/51/506876251.db2.gz XSROIQSGUIVADK-CABCVRRESA-N 1 1 354.410 3.196 20 5 FGBDMO C[N@H+]1CCCC[C@@H](CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC000600311212 506898640 /nfs/dbraw/zinc/89/86/40/506898640.db2.gz AMHJORYFQGZWIB-HNNXBMFYSA-N 1 1 368.437 3.119 20 5 FGBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000594198642 507002615 /nfs/dbraw/zinc/00/26/15/507002615.db2.gz UDQDEAZXECPPIM-CHWSQXEVSA-N 1 1 371.359 3.360 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCS[C@@H](c3ccccc3)C2)c1 ZINC000609800756 507008270 /nfs/dbraw/zinc/00/82/70/507008270.db2.gz RQPZRDWEFNDFRJ-IEBWSBKVSA-N 1 1 374.462 3.125 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000613295521 507015391 /nfs/dbraw/zinc/01/53/91/507015391.db2.gz JZSOGEVYABNNEH-UHFFFAOYSA-N 1 1 354.410 3.349 20 5 FGBDMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000609854238 507025208 /nfs/dbraw/zinc/02/52/08/507025208.db2.gz SZTQTQNEUOJSCP-MRXNPFEDSA-N 1 1 359.813 3.253 20 5 FGBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000610062413 507086445 /nfs/dbraw/zinc/08/64/45/507086445.db2.gz QNXWGBGKTWXMGR-OWCLPIDISA-N 1 1 361.486 3.355 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c(F)c1 ZINC000610116518 507105911 /nfs/dbraw/zinc/10/59/11/507105911.db2.gz MCDADZQFOCLXBF-MAUKXSAKSA-N 1 1 359.401 3.029 20 5 FGBDMO CC(C)c1ccc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000600771493 507111296 /nfs/dbraw/zinc/11/12/96/507111296.db2.gz GZRZPBLGDDKIJK-SFHVURJKSA-N 1 1 361.486 3.309 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000597855647 507135011 /nfs/dbraw/zinc/13/50/11/507135011.db2.gz UHXUKTPGLMHFHL-HNNXBMFYSA-N 1 1 362.474 3.024 20 5 FGBDMO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000597858113 507136606 /nfs/dbraw/zinc/13/66/06/507136606.db2.gz JQSCEZKZICMMJR-YPMHNXCESA-N 1 1 369.849 3.005 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000597860194 507137570 /nfs/dbraw/zinc/13/75/70/507137570.db2.gz LNPWBDLQDUIFRH-NSHDSACASA-N 1 1 359.348 3.216 20 5 FGBDMO CC(C)Oc1nc(N2CC[NH+](Cc3cccs3)CC2)ccc1[N+](=O)[O-] ZINC000594543667 507177549 /nfs/dbraw/zinc/17/75/49/507177549.db2.gz BFIVNHXVWQBNGE-UHFFFAOYSA-N 1 1 362.455 3.161 20 5 FGBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601021376 507230744 /nfs/dbraw/zinc/23/07/44/507230744.db2.gz XPFPPLZNFZYKQZ-MRXNPFEDSA-N 1 1 359.470 3.253 20 5 FGBDMO Cc1cn(Cc2cc(I)cc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000601079831 507255300 /nfs/dbraw/zinc/25/53/00/507255300.db2.gz DEKCAEZFXGOYIR-UHFFFAOYSA-N 1 1 357.151 3.061 20 5 FGBDMO Cc1ccc([C@@H](C)NC(=O)NCC[NH+]2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000610593943 507310089 /nfs/dbraw/zinc/31/00/89/507310089.db2.gz RAOBFJCBPMTITP-OAHLLOKOSA-N 1 1 368.437 3.279 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1c(Br)cnn1C ZINC000601291253 507325063 /nfs/dbraw/zinc/32/50/63/507325063.db2.gz BMYDJYRAFPSZIW-JTQLQIEISA-N 1 1 353.220 3.250 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2ccc(CNC3CC[NH+]([C@@H]4CCOC4)CC3)o2)c1 ZINC000594994946 507347384 /nfs/dbraw/zinc/34/73/84/507347384.db2.gz XSXCUPSZXVUUKA-GOSISDBHSA-N 1 1 371.437 3.198 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000595006382 507350758 /nfs/dbraw/zinc/35/07/58/507350758.db2.gz IUVSZXBSACUBDO-ZIAGYGMSSA-N 1 1 355.394 3.060 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000595005630 507351267 /nfs/dbraw/zinc/35/12/67/507351267.db2.gz BTWIQSLAUUMANB-AWEZNQCLSA-N 1 1 356.426 3.449 20 5 FGBDMO O=[N+]([O-])c1cnccc1N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000610807982 507398146 /nfs/dbraw/zinc/39/81/46/507398146.db2.gz CUBQVZZIODSPPM-ZWKOTPCHSA-N 1 1 352.438 3.481 20 5 FGBDMO C[C@H](c1ccncc1)[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000614185383 507399400 /nfs/dbraw/zinc/39/94/00/507399400.db2.gz HPLHCIPWPBSWFF-CQSZACIVSA-N 1 1 366.425 3.139 20 5 FGBDMO CC(C)(C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000598557708 507485022 /nfs/dbraw/zinc/48/50/22/507485022.db2.gz KMQNXXAOFPRKIU-INIZCTEOSA-N 1 1 359.470 3.111 20 5 FGBDMO CC[N@@H+](CCC1CCN(Cc2onc(C)c2[N+](=O)[O-])CC1)CC(C)C ZINC000595420356 507489397 /nfs/dbraw/zinc/48/93/97/507489397.db2.gz HMJDPKRVACZJAN-UHFFFAOYSA-N 1 1 352.479 3.471 20 5 FGBDMO Cc1noc(C[NH2+]C(C)(C)COc2ncccc2C(F)(F)F)c1[N+](=O)[O-] ZINC000595425492 507491035 /nfs/dbraw/zinc/49/10/35/507491035.db2.gz FTXSKMJWOAKNMM-UHFFFAOYSA-N 1 1 374.319 3.252 20 5 FGBDMO CC(C)CC[C@@H](O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132242 507498758 /nfs/dbraw/zinc/49/87/58/507498758.db2.gz DKSGBLGOIAUUTA-GUDVDZBRSA-N 1 1 364.486 3.497 20 5 FGBDMO C[C@@H]1CC2(C[N@H+]1Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CCOCC2 ZINC000592182161 507526610 /nfs/dbraw/zinc/52/66/10/507526610.db2.gz KVSWRSCSEHZACP-CYBMUJFWSA-N 1 1 358.398 3.036 20 5 FGBDMO C[C@H](NC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000595583765 507575144 /nfs/dbraw/zinc/57/51/44/507575144.db2.gz ZIDSVBFRPXBPSV-GOEBONIOSA-N 1 1 360.458 3.077 20 5 FGBDMO CC(C)c1ccc(CN2CCC[N@@H+](C[C@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000611254109 507581085 /nfs/dbraw/zinc/58/10/85/507581085.db2.gz YAOKZNDKKYJJKV-GOSISDBHSA-N 1 1 361.486 3.405 20 5 FGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2cccnc2)CC1 ZINC000611258837 507586130 /nfs/dbraw/zinc/58/61/30/507586130.db2.gz SCPLLNVZWSGOHG-AWEZNQCLSA-N 1 1 354.410 3.196 20 5 FGBDMO CC(C)COC1CC[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611262799 507590298 /nfs/dbraw/zinc/59/02/98/507590298.db2.gz ACCIKKPXWQMIEC-UHFFFAOYSA-N 1 1 350.415 3.003 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@H]3CCOc4ccccc43)C2)nc1 ZINC000611272356 507597513 /nfs/dbraw/zinc/59/75/13/507597513.db2.gz BCCXKALNSAJYLF-CABCVRRESA-N 1 1 354.410 3.042 20 5 FGBDMO C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)c1ccccc1 ZINC000585754254 507615450 /nfs/dbraw/zinc/61/54/50/507615450.db2.gz BPRWENABGZMXAZ-UHFFFAOYSA-N 1 1 362.451 3.236 20 5 FGBDMO C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)c1ccccc1 ZINC000585754254 507615456 /nfs/dbraw/zinc/61/54/56/507615456.db2.gz BPRWENABGZMXAZ-UHFFFAOYSA-N 1 1 362.451 3.236 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@H](n3cnc4c3CCCC4)C2)c([N+](=O)[O-])cc1F ZINC000614741417 507640555 /nfs/dbraw/zinc/64/05/55/507640555.db2.gz ZGVHHIFAVQEKEI-AWEZNQCLSA-N 1 1 374.416 3.265 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@H](n3cnc4c3CCCC4)C2)c([N+](=O)[O-])cc1F ZINC000614741417 507640562 /nfs/dbraw/zinc/64/05/62/507640562.db2.gz ZGVHHIFAVQEKEI-AWEZNQCLSA-N 1 1 374.416 3.265 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000592433612 507656297 /nfs/dbraw/zinc/65/62/97/507656297.db2.gz LSXFATLNDJOYHT-ZIAGYGMSSA-N 1 1 369.412 3.408 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000592433602 507656349 /nfs/dbraw/zinc/65/63/49/507656349.db2.gz LSXFATLNDJOYHT-KBPBESRZSA-N 1 1 369.412 3.408 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]12 ZINC000595741790 507659431 /nfs/dbraw/zinc/65/94/31/507659431.db2.gz ZJQFWUYOCTVCFA-ARFHVFGLSA-N 1 1 362.426 3.027 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000611402514 507663879 /nfs/dbraw/zinc/66/38/79/507663879.db2.gz SEIJUESEMNECDZ-CQSZACIVSA-N 1 1 363.483 3.309 20 5 FGBDMO COc1cc(C(=O)NCC[N@@H+]2CC=C(C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000586808625 507679473 /nfs/dbraw/zinc/67/94/73/507679473.db2.gz IDJHJEPWKQGODF-UHFFFAOYSA-N 1 1 361.442 3.011 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC([C@H]4CCCCO4)CC3)n2)cc1 ZINC000595781638 507681991 /nfs/dbraw/zinc/68/19/91/507681991.db2.gz FADIYHUAVGQFLH-QGZVFWFLSA-N 1 1 372.425 3.426 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000595833123 507707263 /nfs/dbraw/zinc/70/72/63/507707263.db2.gz RWKFIUSJQANLES-KBXCAEBGSA-N 1 1 355.394 3.075 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000595833123 507707266 /nfs/dbraw/zinc/70/72/66/507707266.db2.gz RWKFIUSJQANLES-KBXCAEBGSA-N 1 1 355.394 3.075 20 5 FGBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+](CCC1CC1)CC1CC1 ZINC000595871534 507719714 /nfs/dbraw/zinc/71/97/14/507719714.db2.gz QKNRYIJQVGGMOE-UHFFFAOYSA-N 1 1 359.426 3.405 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CC1=CCSC1 ZINC000595890213 507730680 /nfs/dbraw/zinc/73/06/80/507730680.db2.gz ZXQPTNGVDWKVGP-JTQLQIEISA-N 1 1 355.847 3.180 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)CC1=CCSC1 ZINC000595890213 507730683 /nfs/dbraw/zinc/73/06/83/507730683.db2.gz ZXQPTNGVDWKVGP-JTQLQIEISA-N 1 1 355.847 3.180 20 5 FGBDMO C[C@](CO)([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)c1ccccc1 ZINC000602546380 507743816 /nfs/dbraw/zinc/74/38/16/507743816.db2.gz LVCIGEJYLONKRF-CQSZACIVSA-N 1 1 371.256 3.416 20 5 FGBDMO Cc1c(C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)cccc1[N+](=O)[O-] ZINC000826236523 608132346 /nfs/dbraw/zinc/13/23/46/608132346.db2.gz QAIYWHYJBMCUGN-NSHDSACASA-N 1 1 356.361 3.073 20 5 FGBDMO O=C(C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)N1CCCc2ccccc21 ZINC000237824571 713597576 /nfs/dbraw/zinc/59/75/76/713597576.db2.gz UEKAFXBUGVBQHD-UHFFFAOYSA-N 1 1 359.813 3.317 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000524880614 714307800 /nfs/dbraw/zinc/30/78/00/714307800.db2.gz COLWAEQECJUWCY-UKRRQHHQSA-N 1 1 351.472 3.018 20 5 FGBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000619578762 714854723 /nfs/dbraw/zinc/85/47/23/714854723.db2.gz OWWSQDWYXJAUFU-CYBMUJFWSA-N 1 1 371.890 3.283 20 5 FGBDMO COc1cc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)ncc1[N+](=O)[O-] ZINC001164618953 719072730 /nfs/dbraw/zinc/07/27/30/719072730.db2.gz BSWZQFKQDFYODO-FUHWJXTLSA-N 1 1 368.437 3.099 20 5 FGBDMO C[N@H+]1CCCC[C@@H]1CCOC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000781712740 724589726 /nfs/dbraw/zinc/58/97/26/724589726.db2.gz KTOWUCOQFBLCBQ-GFCCVEGCSA-N 1 1 358.341 3.227 20 5 FGBDMO C[C@H](O)C[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000726881233 722438833 /nfs/dbraw/zinc/43/88/33/722438833.db2.gz OKBALKHQWXZGRT-LBPRGKRZSA-N 1 1 369.849 3.202 20 5 FGBDMO O=C([C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000746669405 722613485 /nfs/dbraw/zinc/61/34/85/722613485.db2.gz CGGZSZWXTATEFR-ZDUSSCGKSA-N 1 1 351.834 3.083 20 5 FGBDMO O=C([C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000746669405 722613486 /nfs/dbraw/zinc/61/34/86/722613486.db2.gz CGGZSZWXTATEFR-ZDUSSCGKSA-N 1 1 351.834 3.083 20 5 FGBDMO CC[N@@H+]1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1C ZINC000754079705 722926339 /nfs/dbraw/zinc/92/63/39/722926339.db2.gz KQGYMQXYHOPONY-SECBINFHSA-N 1 1 362.308 3.052 20 5 FGBDMO CC[N@H+]1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1C ZINC000754079705 722926342 /nfs/dbraw/zinc/92/63/42/722926342.db2.gz KQGYMQXYHOPONY-SECBINFHSA-N 1 1 362.308 3.052 20 5 FGBDMO Cc1noc(C)c1[C@@H](C)[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000754165288 722930370 /nfs/dbraw/zinc/93/03/70/722930370.db2.gz YLQREEPIYQYNGS-MRVPVSSYSA-N 1 1 352.778 3.142 20 5 FGBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000756967359 722972644 /nfs/dbraw/zinc/97/26/44/722972644.db2.gz VYARBEKIVVLIAA-ZDUSSCGKSA-N 1 1 368.865 3.025 20 5 FGBDMO CC(C)(C)[N@H+]1CCCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000757254234 722975584 /nfs/dbraw/zinc/97/55/84/722975584.db2.gz AUYDSDAXVQNROB-UHFFFAOYSA-N 1 1 368.865 3.264 20 5 FGBDMO O=[N+]([O-])c1ccc2nc(N[C@@H]3CCCC[C@@H]3[NH+]3CCOCC3)sc2c1 ZINC000763377352 723338666 /nfs/dbraw/zinc/33/86/66/723338666.db2.gz WHRAPLHXDLOSTK-HIFRSBDPSA-N 1 1 362.455 3.260 20 5 FGBDMO CCOC1(C)CC[NH+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 ZINC000793546745 723448080 /nfs/dbraw/zinc/44/80/80/723448080.db2.gz QCGJYXWUPGIYQD-UHFFFAOYSA-N 1 1 352.822 3.446 20 5 FGBDMO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1nc2ccccc2s1 ZINC000766377992 723570759 /nfs/dbraw/zinc/57/07/59/723570759.db2.gz CCVFUZUXNTZARX-LLVKDONJSA-N 1 1 356.407 3.494 20 5 FGBDMO C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1nc(C(F)(F)F)cs1 ZINC000768217280 723650759 /nfs/dbraw/zinc/65/07/59/723650759.db2.gz LMGHUIURWYNVAZ-LDYMZIIASA-N 1 1 361.345 3.454 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)OCc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000811445572 725365573 /nfs/dbraw/zinc/36/55/73/725365573.db2.gz SWFLTPVWNWFRNV-INIZCTEOSA-N 1 1 360.332 3.129 20 5 FGBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccc(Cl)nc1 ZINC000813173160 726845989 /nfs/dbraw/zinc/84/59/89/726845989.db2.gz XXFZUZKMQGVJFY-HNNXBMFYSA-N 1 1 361.785 3.075 20 5 FGBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccc(Cl)nc1 ZINC000813173160 726845991 /nfs/dbraw/zinc/84/59/91/726845991.db2.gz XXFZUZKMQGVJFY-HNNXBMFYSA-N 1 1 361.785 3.075 20 5 FGBDMO COc1cc2c(cc1Cl)C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000815259497 727059128 /nfs/dbraw/zinc/05/91/28/727059128.db2.gz RIXKGXGQLQWNSF-KRWDZBQOSA-N 1 1 362.813 3.349 20 5 FGBDMO COc1cc2c(cc1Cl)C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000815259497 727059130 /nfs/dbraw/zinc/05/91/30/727059130.db2.gz RIXKGXGQLQWNSF-KRWDZBQOSA-N 1 1 362.813 3.349 20 5 FGBDMO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)NCCc1ccccc1 ZINC000825036065 729368539 /nfs/dbraw/zinc/36/85/39/729368539.db2.gz ZTCRGLQMPOBNSF-ZDUSSCGKSA-N 1 1 361.829 3.085 20 5 FGBDMO O=C(C[N@@H+]1CCC[C@]2(CCSC2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000832506249 729717284 /nfs/dbraw/zinc/71/72/84/729717284.db2.gz YHFMKXQYFFSYQA-INIZCTEOSA-N 1 1 369.874 3.406 20 5 FGBDMO O=C(C[N@H+]1CCC[C@]2(CCSC2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000832506249 729717288 /nfs/dbraw/zinc/71/72/88/729717288.db2.gz YHFMKXQYFFSYQA-INIZCTEOSA-N 1 1 369.874 3.406 20 5 FGBDMO Cc1[nH+]ccn1CCCOC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000837960584 730079214 /nfs/dbraw/zinc/07/92/14/730079214.db2.gz VLNPRHDGMJZCRJ-UHFFFAOYSA-N 1 1 357.288 3.366 20 5 FGBDMO CC(C)(C(=O)OCc1cccc([N+](=O)[O-])c1Br)[NH+]1CCCC1 ZINC000840573571 730154816 /nfs/dbraw/zinc/15/48/16/730154816.db2.gz YZCOOMFNJDMYGX-UHFFFAOYSA-N 1 1 371.231 3.275 20 5 FGBDMO COC(=O)[C@]1(C)CCC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000840974835 730199762 /nfs/dbraw/zinc/19/97/62/730199762.db2.gz IOFLVYHPDDRIJL-OAHLLOKOSA-N 1 1 371.231 3.132 20 5 FGBDMO COC(=O)[C@]1(C)CCC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000840974835 730199765 /nfs/dbraw/zinc/19/97/65/730199765.db2.gz IOFLVYHPDDRIJL-OAHLLOKOSA-N 1 1 371.231 3.132 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844437212 730717614 /nfs/dbraw/zinc/71/76/14/730717614.db2.gz MLOZQOWFUUGCPO-INIZCTEOSA-N 1 1 353.369 3.353 20 5 FGBDMO CC(C)C[N@@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000844652802 730746677 /nfs/dbraw/zinc/74/66/77/730746677.db2.gz CBXNQAHJAOLWMH-UHFFFAOYSA-N 1 1 372.263 3.065 20 5 FGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000845739125 730890565 /nfs/dbraw/zinc/89/05/65/730890565.db2.gz FLCJRZOMOBXTJG-OCCSQVGLSA-N 1 1 352.456 3.491 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1Cl ZINC000847255697 731040864 /nfs/dbraw/zinc/04/08/64/731040864.db2.gz UVRVRMWFNSDTRB-CABCVRRESA-N 1 1 351.834 3.303 20 5 FGBDMO Cc1cc(Cl)c(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000855162471 731903089 /nfs/dbraw/zinc/90/30/89/731903089.db2.gz KIEIAPJMAFZDNE-GFCCVEGCSA-N 1 1 353.850 3.407 20 5 FGBDMO O=C(C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000859543105 732347464 /nfs/dbraw/zinc/34/74/64/732347464.db2.gz UJNZETWAMVWYKK-NEPJUHHUSA-N 1 1 355.847 3.157 20 5 FGBDMO O=C(C[N@H+]1CC[C@H]2CC[C@@H](C1)S2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000859543105 732347468 /nfs/dbraw/zinc/34/74/68/732347468.db2.gz UJNZETWAMVWYKK-NEPJUHHUSA-N 1 1 355.847 3.157 20 5 FGBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2nc(C(F)(F)F)n3c2CCCC3)cc1 ZINC000865804012 733272650 /nfs/dbraw/zinc/27/26/50/733272650.db2.gz OTVFWLABSUCOCX-UHFFFAOYSA-N 1 1 354.332 3.436 20 5 FGBDMO C[N@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)CC1CCOCC1 ZINC000878334076 736808095 /nfs/dbraw/zinc/80/80/95/736808095.db2.gz NHAMVUQBOPKSGK-UHFFFAOYSA-N 1 1 366.805 3.157 20 5 FGBDMO CO[C@@H]1CC[C@H](C)[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000879324693 736980795 /nfs/dbraw/zinc/98/07/95/736980795.db2.gz DXBJTMQJIDJFLT-CMPLNLGQSA-N 1 1 366.805 3.298 20 5 FGBDMO CO[C@@H]1CC[C@H](C)[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000879324693 736980798 /nfs/dbraw/zinc/98/07/98/736980798.db2.gz DXBJTMQJIDJFLT-CMPLNLGQSA-N 1 1 366.805 3.298 20 5 FGBDMO Cc1csc([C@H]2CC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000880006960 737097013 /nfs/dbraw/zinc/09/70/13/737097013.db2.gz AEVMHQCKGKTVMM-ZDUSSCGKSA-N 1 1 360.439 3.178 20 5 FGBDMO Cc1csc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000880009106 737099031 /nfs/dbraw/zinc/09/90/31/737099031.db2.gz ZSLYJIRUIBGANK-QWHCGFSZSA-N 1 1 360.439 3.176 20 5 FGBDMO Cc1csc([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000880009106 737099037 /nfs/dbraw/zinc/09/90/37/737099037.db2.gz ZSLYJIRUIBGANK-QWHCGFSZSA-N 1 1 360.439 3.176 20 5 FGBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000886240732 739235997 /nfs/dbraw/zinc/23/59/97/739235997.db2.gz BOYHRYALUPMKGX-ZDUSSCGKSA-N 1 1 359.348 3.171 20 5 FGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000886240732 739236002 /nfs/dbraw/zinc/23/60/02/739236002.db2.gz BOYHRYALUPMKGX-ZDUSSCGKSA-N 1 1 359.348 3.171 20 5 FGBDMO CSCc1nnc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000886755504 739292615 /nfs/dbraw/zinc/29/26/15/739292615.db2.gz KNFIMUKIEQRWSQ-GXTWGEPZSA-N 1 1 361.471 3.077 20 5 FGBDMO CCO/C=C\[C@@](O)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C(F)(F)F ZINC000895708487 742443808 /nfs/dbraw/zinc/44/38/08/742443808.db2.gz SEMRKOUUTCTMFZ-CFHLNLSMSA-N 1 1 368.739 3.181 20 5 FGBDMO O=[N+]([O-])c1sc(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)cc1Br ZINC000895847015 742462064 /nfs/dbraw/zinc/46/20/64/742462064.db2.gz XZAASROPICDACM-CABZTGNLSA-N 1 1 361.261 3.420 20 5 FGBDMO O=[N+]([O-])c1sc(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)cc1Br ZINC000895847015 742462067 /nfs/dbraw/zinc/46/20/67/742462067.db2.gz XZAASROPICDACM-CABZTGNLSA-N 1 1 361.261 3.420 20 5 FGBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927102298 759891348 /nfs/dbraw/zinc/89/13/48/759891348.db2.gz JBLCXZNHCYJEJJ-CZUORRHYSA-N 1 1 365.499 3.221 20 5 FGBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000927102298 759891358 /nfs/dbraw/zinc/89/13/58/759891358.db2.gz JBLCXZNHCYJEJJ-CZUORRHYSA-N 1 1 365.499 3.221 20 5 FGBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000931117146 760782228 /nfs/dbraw/zinc/78/22/28/760782228.db2.gz NAAIWKUNUJMXPY-AWEZNQCLSA-N 1 1 367.877 3.417 20 5 FGBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000931124979 760784334 /nfs/dbraw/zinc/78/43/34/760784334.db2.gz WPHDWDYPSPBTNV-UHFFFAOYSA-N 1 1 351.472 3.263 20 5 FGBDMO O=[N+]([O-])c1ccc(Br)c(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1 ZINC000931753546 760954385 /nfs/dbraw/zinc/95/43/85/760954385.db2.gz RGGGOKPPIIQHBW-NHYWBVRUSA-N 1 1 355.232 3.358 20 5 FGBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000934547939 761653397 /nfs/dbraw/zinc/65/33/97/761653397.db2.gz KUEDSMSSILPJIL-AWEZNQCLSA-N 1 1 367.877 3.275 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000110543242 209325381 /nfs/dbraw/zinc/32/53/81/209325381.db2.gz FMIGZWWPUYUYBA-YOEHRIQHSA-N 1 1 354.410 3.108 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000110543242 209325384 /nfs/dbraw/zinc/32/53/84/209325384.db2.gz FMIGZWWPUYUYBA-YOEHRIQHSA-N 1 1 354.410 3.108 20 5 FGBDMO CC(C)[N@H+]1CC[C@H](N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C2CC2)C1 ZINC000568103530 505617206 /nfs/dbraw/zinc/61/72/06/505617206.db2.gz ZZBSFQRURAATIX-KRWDZBQOSA-N 1 1 370.457 3.107 20 5 FGBDMO Cc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000076144672 493831027 /nfs/dbraw/zinc/83/10/27/493831027.db2.gz OFDFIXMUHPRWMJ-CYBMUJFWSA-N 1 1 359.451 3.141 20 5 FGBDMO Cc1ccc(C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000076144672 493831033 /nfs/dbraw/zinc/83/10/33/493831033.db2.gz OFDFIXMUHPRWMJ-CYBMUJFWSA-N 1 1 359.451 3.141 20 5 FGBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000058861163 493889680 /nfs/dbraw/zinc/88/96/80/493889680.db2.gz JASBZGJBAAGUGR-UHFFFAOYSA-N 1 1 358.442 3.269 20 5 FGBDMO CCC[N@@H+](C)C[C@H]1CCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000081571390 493918684 /nfs/dbraw/zinc/91/86/84/493918684.db2.gz FGPRTIXANPXPER-LSDHHAIUSA-N 1 1 373.457 3.370 20 5 FGBDMO C[C@H]1C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H]1c1ccccc1 ZINC000081573563 493920791 /nfs/dbraw/zinc/92/07/91/493920791.db2.gz TVVZCDRNVTUCPI-XOBRGWDASA-N 1 1 351.406 3.177 20 5 FGBDMO C[C@H]1C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H]1c1ccccc1 ZINC000081573563 493920795 /nfs/dbraw/zinc/92/07/95/493920795.db2.gz TVVZCDRNVTUCPI-XOBRGWDASA-N 1 1 351.406 3.177 20 5 FGBDMO COc1ccc(CN2CCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000076870980 493982030 /nfs/dbraw/zinc/98/20/30/493982030.db2.gz IHKQEZQXPAUGTP-UHFFFAOYSA-N 1 1 369.465 3.354 20 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ZINC000076953469 493995291 /nfs/dbraw/zinc/99/52/91/493995291.db2.gz XIHCQYGVNCTTOL-MRXNPFEDSA-N 1 1 368.437 3.011 20 5 FGBDMO O=C(CCc1ccccc1)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000083250104 494013967 /nfs/dbraw/zinc/01/39/67/494013967.db2.gz XWFWJBYXVJGWAN-UHFFFAOYSA-N 1 1 367.449 3.262 20 5 FGBDMO O=C(CCc1ccccc1)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000083250104 494013973 /nfs/dbraw/zinc/01/39/73/494013973.db2.gz XWFWJBYXVJGWAN-UHFFFAOYSA-N 1 1 367.449 3.262 20 5 FGBDMO O=C(C[N@@H+]1CCC[C@H]1c1ccsc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000052804005 494063244 /nfs/dbraw/zinc/06/32/44/494063244.db2.gz OMEJHFPBHJFAEO-INIZCTEOSA-N 1 1 357.435 3.383 20 5 FGBDMO O=C(C[N@H+]1CCC[C@H]1c1ccsc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000052804005 494063246 /nfs/dbraw/zinc/06/32/46/494063246.db2.gz OMEJHFPBHJFAEO-INIZCTEOSA-N 1 1 357.435 3.383 20 5 FGBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000039563969 494122908 /nfs/dbraw/zinc/12/29/08/494122908.db2.gz NKIHHGVLTCUDHJ-UHFFFAOYSA-N 1 1 353.850 3.441 20 5 FGBDMO CCCNC(=O)C1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCCCC1 ZINC000085864273 494139627 /nfs/dbraw/zinc/13/96/27/494139627.db2.gz HJQFCTHVYPSQEP-UHFFFAOYSA-N 1 1 360.414 3.055 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC=C(c3ccc(O)cc3)CC2)c2c(c1)COCO2 ZINC000053814980 494168933 /nfs/dbraw/zinc/16/89/33/494168933.db2.gz KKZANZVUUXDLMX-UHFFFAOYSA-N 1 1 368.389 3.456 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)c2c(c1)COCO2 ZINC000053814980 494168937 /nfs/dbraw/zinc/16/89/37/494168937.db2.gz KKZANZVUUXDLMX-UHFFFAOYSA-N 1 1 368.389 3.456 20 5 FGBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000065101976 494173210 /nfs/dbraw/zinc/17/32/10/494173210.db2.gz GOBIXSGDSDFCSU-HOCLYGCPSA-N 1 1 372.450 3.075 20 5 FGBDMO CCOC(=O)c1ccnc(NCCCC[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000077929005 494202288 /nfs/dbraw/zinc/20/22/88/494202288.db2.gz FZVPOPXEAOACQT-CQSZACIVSA-N 1 1 364.446 3.233 20 5 FGBDMO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000072722695 494241874 /nfs/dbraw/zinc/24/18/74/494241874.db2.gz WBTJDHFGSPAPRE-PXAZEXFGSA-N 1 1 357.385 3.416 20 5 FGBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000072810253 494255049 /nfs/dbraw/zinc/25/50/49/494255049.db2.gz VQTZBNKUTOTDOL-WMZOPIPTSA-N 1 1 359.470 3.250 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000072810483 494255083 /nfs/dbraw/zinc/25/50/83/494255083.db2.gz GJRTXRVYTRHZNS-CABCVRRESA-N 1 1 363.433 3.461 20 5 FGBDMO CCOc1cc(NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000089644043 494337844 /nfs/dbraw/zinc/33/78/44/494337844.db2.gz CVKCEVRRBIITEE-QZTJIDSGSA-N 1 1 371.437 3.041 20 5 FGBDMO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000066474639 494341843 /nfs/dbraw/zinc/34/18/43/494341843.db2.gz RVSQYWVSCRZYHF-GDBMZVCRSA-N 1 1 363.458 3.120 20 5 FGBDMO COc1ccc(OCCC[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000015443365 494354734 /nfs/dbraw/zinc/35/47/34/494354734.db2.gz FFOGYMXAIYZCHY-UHFFFAOYSA-N 1 1 371.437 3.195 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@H](n4cccn4)C3)co2)cc1 ZINC000089892477 494394930 /nfs/dbraw/zinc/39/49/30/494394930.db2.gz RVZGQSFYKZOHHB-KRWDZBQOSA-N 1 1 353.382 3.283 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@H](n4cccn4)C3)co2)cc1 ZINC000089892477 494394934 /nfs/dbraw/zinc/39/49/34/494394934.db2.gz RVZGQSFYKZOHHB-KRWDZBQOSA-N 1 1 353.382 3.283 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000074047055 494471887 /nfs/dbraw/zinc/47/18/87/494471887.db2.gz XOFWKRDDIAYPAS-INIZCTEOSA-N 1 1 355.442 3.292 20 5 FGBDMO COCC[NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000021818187 494506197 /nfs/dbraw/zinc/50/61/97/494506197.db2.gz AHCJUPCQJREFGC-INIZCTEOSA-N 1 1 363.801 3.164 20 5 FGBDMO NC(=O)c1ccc(NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000067384814 494528795 /nfs/dbraw/zinc/52/87/95/494528795.db2.gz KOHCKHRJGLGYDN-INIZCTEOSA-N 1 1 368.437 3.018 20 5 FGBDMO CC[C@@H](CSC)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000091096986 494533678 /nfs/dbraw/zinc/53/36/78/494533678.db2.gz NPUJDFZRDUOTAV-LBPRGKRZSA-N 1 1 355.460 3.005 20 5 FGBDMO CN(C(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000074447494 494539422 /nfs/dbraw/zinc/53/94/22/494539422.db2.gz OQPJMFUSALCWKH-HNNXBMFYSA-N 1 1 359.451 3.393 20 5 FGBDMO CN(C(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000074447494 494539425 /nfs/dbraw/zinc/53/94/25/494539425.db2.gz OQPJMFUSALCWKH-HNNXBMFYSA-N 1 1 359.451 3.393 20 5 FGBDMO C[C@@H](O)C[C@@H]1COCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000568565714 505723103 /nfs/dbraw/zinc/72/31/03/505723103.db2.gz OYRSMCRJZVYQLW-CZUORRHYSA-N 1 1 362.451 3.295 20 5 FGBDMO C[C@@H](O)C[C@@H]1COCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000568565714 505723108 /nfs/dbraw/zinc/72/31/08/505723108.db2.gz OYRSMCRJZVYQLW-CZUORRHYSA-N 1 1 362.451 3.295 20 5 FGBDMO O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000067594485 494576973 /nfs/dbraw/zinc/57/69/73/494576973.db2.gz FRPDNZWHGSTAKC-SFHVURJKSA-N 1 1 353.422 3.123 20 5 FGBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000107887361 494616694 /nfs/dbraw/zinc/61/66/94/494616694.db2.gz LEVJNNUIBYYFDY-HNNXBMFYSA-N 1 1 368.437 3.410 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000131577157 494663102 /nfs/dbraw/zinc/66/31/02/494663102.db2.gz ZNZPNCGDAYFDIN-ZDUSSCGKSA-N 1 1 354.834 3.266 20 5 FGBDMO CCC[C@@H]([NH2+]C[C@H](C)CN1CCN(CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000121260782 494671255 /nfs/dbraw/zinc/67/12/55/494671255.db2.gz WRBFWKWDSVBQIG-FXAWDEMLSA-N 1 1 362.518 3.299 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2Cc2ccccc2)c1 ZINC000025359613 494727199 /nfs/dbraw/zinc/72/71/99/494727199.db2.gz WXEWIRSFCUFEMW-MJGOQNOKSA-N 1 1 356.422 3.042 20 5 FGBDMO Cc1ccc(NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000080542962 494732413 /nfs/dbraw/zinc/73/24/13/494732413.db2.gz QFRCQIXMVGSYGM-UHFFFAOYSA-N 1 1 368.437 3.418 20 5 FGBDMO COc1ccccc1C[N@@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000026223505 494811378 /nfs/dbraw/zinc/81/13/78/494811378.db2.gz XHYDNOIFTWMUAB-UHFFFAOYSA-N 1 1 357.410 3.372 20 5 FGBDMO Cc1ccccc1OCC[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000026337203 494818604 /nfs/dbraw/zinc/81/86/04/494818604.db2.gz MCDAAORFUURFTR-UHFFFAOYSA-N 1 1 357.410 3.243 20 5 FGBDMO O=C1[C@H]([NH+]2CCC(OC3CCCC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000109131535 494836794 /nfs/dbraw/zinc/83/67/94/494836794.db2.gz STRSASZJQYFPKQ-LJQANCHMSA-N 1 1 373.453 3.124 20 5 FGBDMO CCCC[N@@H+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000027272263 494859919 /nfs/dbraw/zinc/85/99/19/494859919.db2.gz RCSRMRCPPMYLDA-UHFFFAOYSA-N 1 1 358.236 3.418 20 5 FGBDMO COc1cc(C[N@H+](C)[C@H](CCO)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000093442549 494891713 /nfs/dbraw/zinc/89/17/13/494891713.db2.gz WKBUHAXLTHIRMM-MRXNPFEDSA-N 1 1 360.410 3.168 20 5 FGBDMO COc1cc(C[N@@H+](C)[C@H](CCO)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000093442549 494891716 /nfs/dbraw/zinc/89/17/16/494891716.db2.gz WKBUHAXLTHIRMM-MRXNPFEDSA-N 1 1 360.410 3.168 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cnc(C4CCC4)s3)C2)nc1 ZINC000093534807 494898893 /nfs/dbraw/zinc/89/88/93/494898893.db2.gz MHHBAZSEURDFBE-ZDUSSCGKSA-N 1 1 359.455 3.400 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cnc(C4CCC4)s3)C2)nc1 ZINC000093534807 494898897 /nfs/dbraw/zinc/89/88/97/494898897.db2.gz MHHBAZSEURDFBE-ZDUSSCGKSA-N 1 1 359.455 3.400 20 5 FGBDMO COc1cc(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])cc1OC ZINC000093690110 494913364 /nfs/dbraw/zinc/91/33/64/494913364.db2.gz NJBGQNCQRYDOIO-SUMWQHHRSA-N 1 1 352.456 3.472 20 5 FGBDMO COc1cc(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])cc1OC ZINC000093690110 494913369 /nfs/dbraw/zinc/91/33/69/494913369.db2.gz NJBGQNCQRYDOIO-SUMWQHHRSA-N 1 1 352.456 3.472 20 5 FGBDMO CCC1(CO)CC[NH+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CC1 ZINC000127617594 494970726 /nfs/dbraw/zinc/97/07/26/494970726.db2.gz SPQJWUSMCGQSCM-UHFFFAOYSA-N 1 1 374.384 3.189 20 5 FGBDMO Cc1ccc(NCCCNC(=O)CSc2ccc([N+](=O)[O-])cc2)[nH+]c1 ZINC000127804618 495000942 /nfs/dbraw/zinc/00/09/42/495000942.db2.gz RRDUOGVEOOBBHX-UHFFFAOYSA-N 1 1 360.439 3.009 20 5 FGBDMO C[C@H]1SCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000118421341 495001291 /nfs/dbraw/zinc/00/12/91/495001291.db2.gz DCPWDCZPXMIMRM-ACJLOTCBSA-N 1 1 371.462 3.372 20 5 FGBDMO C[C@H]1SCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000118421341 495001296 /nfs/dbraw/zinc/00/12/96/495001296.db2.gz DCPWDCZPXMIMRM-ACJLOTCBSA-N 1 1 371.462 3.372 20 5 FGBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000133751077 495056384 /nfs/dbraw/zinc/05/63/84/495056384.db2.gz JPGJONAAOAKMQI-INIZCTEOSA-N 1 1 371.412 3.328 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000133813860 495065471 /nfs/dbraw/zinc/06/54/71/495065471.db2.gz VGHCYSJRNLCGGN-OAHLLOKOSA-N 1 1 362.813 3.046 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000133813860 495065474 /nfs/dbraw/zinc/06/54/74/495065474.db2.gz VGHCYSJRNLCGGN-OAHLLOKOSA-N 1 1 362.813 3.046 20 5 FGBDMO C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)NCc1ccco1 ZINC000111399134 495070862 /nfs/dbraw/zinc/07/08/62/495070862.db2.gz QLJQRRZYRVEASV-CYBMUJFWSA-N 1 1 369.377 3.242 20 5 FGBDMO COc1c(C)cc(C[N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])cc1C ZINC000101566480 495079533 /nfs/dbraw/zinc/07/95/33/495079533.db2.gz UKBNITSLOGMJAR-UHFFFAOYSA-N 1 1 357.410 3.291 20 5 FGBDMO COc1c(C)cc(C[N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])cc1C ZINC000101566480 495079536 /nfs/dbraw/zinc/07/95/36/495079536.db2.gz UKBNITSLOGMJAR-UHFFFAOYSA-N 1 1 357.410 3.291 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCc2ccc(F)cc2C1 ZINC000134088909 495104386 /nfs/dbraw/zinc/10/43/86/495104386.db2.gz ZDOQNQYHGCSZMH-UHFFFAOYSA-N 1 1 357.385 3.429 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@@H](SC)C1 ZINC000134578046 495170758 /nfs/dbraw/zinc/17/07/58/495170758.db2.gz VEOITTZKBJDKRN-CQSZACIVSA-N 1 1 367.471 3.150 20 5 FGBDMO Cc1c(NC(=O)CCN2CCC([N@@H+]3CCC[C@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000134691268 495187735 /nfs/dbraw/zinc/18/77/35/495187735.db2.gz KNTBEVIROIKETK-OAHLLOKOSA-N 1 1 374.485 3.181 20 5 FGBDMO CCOc1ccc(C(=O)Nc2c[nH+]ccc2-n2cc(C)cn2)cc1[N+](=O)[O-] ZINC000124045572 495225890 /nfs/dbraw/zinc/22/58/90/495225890.db2.gz MSRSVPGBSWZXIX-UHFFFAOYSA-N 1 1 367.365 3.135 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](Cc1cccc(O)c1)CC1CC1 ZINC000112978691 495262875 /nfs/dbraw/zinc/26/28/75/495262875.db2.gz ISVBRUJDPOQYKA-UHFFFAOYSA-N 1 1 369.421 3.460 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](Cc1cccc(O)c1)CC1CC1 ZINC000112978691 495262878 /nfs/dbraw/zinc/26/28/78/495262878.db2.gz ISVBRUJDPOQYKA-UHFFFAOYSA-N 1 1 369.421 3.460 20 5 FGBDMO CCOC(=O)[C@@H]1CCCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104663472 495295392 /nfs/dbraw/zinc/29/53/92/495295392.db2.gz SZBIRCCGAGXXQT-INIZCTEOSA-N 1 1 373.409 3.210 20 5 FGBDMO CCOC(=O)[C@@H]1CCCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104663472 495295395 /nfs/dbraw/zinc/29/53/95/495295395.db2.gz SZBIRCCGAGXXQT-INIZCTEOSA-N 1 1 373.409 3.210 20 5 FGBDMO Cc1noc([C@@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)C2)n1 ZINC000104675848 495296076 /nfs/dbraw/zinc/29/60/76/495296076.db2.gz IOTQPQKYNCGRKU-CQSZACIVSA-N 1 1 360.414 3.453 20 5 FGBDMO Cc1noc([C@@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)C2)n1 ZINC000104675848 495296078 /nfs/dbraw/zinc/29/60/78/495296078.db2.gz IOTQPQKYNCGRKU-CQSZACIVSA-N 1 1 360.414 3.453 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@](O)(C(F)(F)F)C3)o2)cc1 ZINC000130154537 495349644 /nfs/dbraw/zinc/34/96/44/495349644.db2.gz PWNNHKBJCRKSBB-OAHLLOKOSA-N 1 1 356.300 3.354 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@](O)(C(F)(F)F)C3)o2)cc1 ZINC000130154537 495349647 /nfs/dbraw/zinc/34/96/47/495349647.db2.gz PWNNHKBJCRKSBB-OAHLLOKOSA-N 1 1 356.300 3.354 20 5 FGBDMO CC[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000120549280 495403779 /nfs/dbraw/zinc/40/37/79/495403779.db2.gz JZSKBFJAWSKEDK-KRWDZBQOSA-N 1 1 371.412 3.301 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@H+](C[C@@H](O)COCc2cccs2)C2CC2)cc1 ZINC000130689234 495430336 /nfs/dbraw/zinc/43/03/36/495430336.db2.gz WWYTVWYUQIKBPW-QGZVFWFLSA-N 1 1 362.451 3.198 20 5 FGBDMO Cc1ccccc1[C@@H](C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000137606459 495446213 /nfs/dbraw/zinc/44/62/13/495446213.db2.gz PUWMGYJTVQRLSZ-MRXNPFEDSA-N 1 1 353.422 3.422 20 5 FGBDMO O=C(Nc1ccccc1C[NH+]1CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC000138573162 495464714 /nfs/dbraw/zinc/46/47/14/495464714.db2.gz IQPLFKCETSZCRL-UHFFFAOYSA-N 1 1 357.435 3.396 20 5 FGBDMO CSc1ccc(C(=O)N2CCC([N@H+]3CCC[C@@H]3C)CC2)cc1[N+](=O)[O-] ZINC000125595442 495468766 /nfs/dbraw/zinc/46/87/66/495468766.db2.gz SKKYETTXDYMQBM-ZDUSSCGKSA-N 1 1 363.483 3.406 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000139598471 495480155 /nfs/dbraw/zinc/48/01/55/495480155.db2.gz NXAWUIPIYIQCQT-BBRMVZONSA-N 1 1 363.845 3.337 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000179314740 495539506 /nfs/dbraw/zinc/53/95/06/495539506.db2.gz NCTMNNNOWBNCIC-HNNXBMFYSA-N 1 1 361.829 3.117 20 5 FGBDMO C[N@@H+](CCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000182640771 495645890 /nfs/dbraw/zinc/64/58/90/495645890.db2.gz KDXIWDKYUXOQMR-UHFFFAOYSA-N 1 1 371.890 3.331 20 5 FGBDMO COc1cc(C[NH+]2CCC(O)(c3ccccc3)CC2)c([N+](=O)[O-])cc1OC ZINC000185639517 495658229 /nfs/dbraw/zinc/65/82/29/495658229.db2.gz CQYMTJVRKJVTHL-UHFFFAOYSA-N 1 1 372.421 3.096 20 5 FGBDMO C[C@H](N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000185685091 495678313 /nfs/dbraw/zinc/67/83/13/495678313.db2.gz CROKWUZOBIFRJB-JYJNAYRXSA-N 1 1 374.485 3.164 20 5 FGBDMO CC(C)c1ccc(C[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)cc1[N+](=O)[O-] ZINC000154827438 495740414 /nfs/dbraw/zinc/74/04/14/495740414.db2.gz LGEUUTWGTCPARM-KRWDZBQOSA-N 1 1 359.470 3.456 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000154898767 495765440 /nfs/dbraw/zinc/76/54/40/495765440.db2.gz WZXIHTDHQRVXIX-WBVHZDCISA-N 1 1 368.437 3.498 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000154898767 495765445 /nfs/dbraw/zinc/76/54/45/495765445.db2.gz WZXIHTDHQRVXIX-WBVHZDCISA-N 1 1 368.437 3.498 20 5 FGBDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000159589119 495765777 /nfs/dbraw/zinc/76/57/77/495765777.db2.gz JCZDJAYXHKTBLU-CHWSQXEVSA-N 1 1 359.451 3.409 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000159651855 495778737 /nfs/dbraw/zinc/77/87/37/495778737.db2.gz CECXKHJXKAYUKV-CYBMUJFWSA-N 1 1 351.472 3.121 20 5 FGBDMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182978067 495782469 /nfs/dbraw/zinc/78/24/69/495782469.db2.gz QNYKPCXGGBWLFB-WCQYABFASA-N 1 1 369.874 3.035 20 5 FGBDMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182978047 495782776 /nfs/dbraw/zinc/78/27/76/495782776.db2.gz QNYKPCXGGBWLFB-DGCLKSJQSA-N 1 1 369.874 3.035 20 5 FGBDMO C[C@H](Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000183007136 495795314 /nfs/dbraw/zinc/79/53/14/495795314.db2.gz ITLHOLFHXHCONB-IFXJQAMLSA-N 1 1 368.437 3.218 20 5 FGBDMO C[C@H]1OCC[C@@]1(O)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000571746461 505804703 /nfs/dbraw/zinc/80/47/03/505804703.db2.gz BYUPZMOEOZQQJT-DYESRHJHSA-N 1 1 370.449 3.179 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCc1nccs1)C(C)C ZINC000159928974 495842805 /nfs/dbraw/zinc/84/28/05/495842805.db2.gz SLJRECGACCLCLG-UHFFFAOYSA-N 1 1 362.455 3.251 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCc1nccs1)C(C)C ZINC000159928974 495842810 /nfs/dbraw/zinc/84/28/10/495842810.db2.gz SLJRECGACCLCLG-UHFFFAOYSA-N 1 1 362.455 3.251 20 5 FGBDMO COc1cccc(F)c1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000174221372 495871142 /nfs/dbraw/zinc/87/11/42/495871142.db2.gz FAUALUJUCLUMNU-NEPJUHHUSA-N 1 1 361.373 3.420 20 5 FGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(Cn3cncn3)CC2)c(C(F)(F)F)c1 ZINC000186242810 495910356 /nfs/dbraw/zinc/91/03/56/495910356.db2.gz NREDKLZQXOHGSW-UHFFFAOYSA-N 1 1 369.347 3.117 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000160267117 495924092 /nfs/dbraw/zinc/92/40/92/495924092.db2.gz GGFNJCAQVQEGQK-INIZCTEOSA-N 1 1 362.474 3.091 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(CCCN2CCOCC2)CC1 ZINC000183691257 496081564 /nfs/dbraw/zinc/08/15/64/496081564.db2.gz MILWEULZSJVSJK-UHFFFAOYSA-N 1 1 361.486 3.228 20 5 FGBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H]2c2cccc3ccccc32)c1 ZINC000174751477 496089672 /nfs/dbraw/zinc/08/96/72/496089672.db2.gz WFBAWOSVKGFENT-FXAWDEMLSA-N 1 1 366.421 3.143 20 5 FGBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000177532880 496101311 /nfs/dbraw/zinc/10/13/11/496101311.db2.gz SNUYPGZNHMCCNM-LLVKDONJSA-N 1 1 372.372 3.002 20 5 FGBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CC=C(c3c[nH]c4cc(F)ccc34)CC2)c1 ZINC000174821151 496120829 /nfs/dbraw/zinc/12/08/29/496120829.db2.gz CZWZSQFIPNRKHV-UHFFFAOYSA-N 1 1 355.373 3.201 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000161307652 496149243 /nfs/dbraw/zinc/14/92/43/496149243.db2.gz CGTVCAPUSHAPEW-XJKSGUPXSA-N 1 1 363.483 3.263 20 5 FGBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000174952695 496179666 /nfs/dbraw/zinc/17/96/66/496179666.db2.gz OBCMLSDBBODPHW-OAHLLOKOSA-N 1 1 359.451 3.250 20 5 FGBDMO Cc1cc(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000174955743 496180458 /nfs/dbraw/zinc/18/04/58/496180458.db2.gz MKONVFADQXSCFV-SFHVURJKSA-N 1 1 367.449 3.497 20 5 FGBDMO C[C@@H](C[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1nccs1 ZINC000183975553 496185371 /nfs/dbraw/zinc/18/53/71/496185371.db2.gz XEUYYTZXZZHYMB-NSHDSACASA-N 1 1 359.411 3.337 20 5 FGBDMO C[C@@H](C[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1nccs1 ZINC000183975553 496185376 /nfs/dbraw/zinc/18/53/76/496185376.db2.gz XEUYYTZXZZHYMB-NSHDSACASA-N 1 1 359.411 3.337 20 5 FGBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c1 ZINC000152675830 496222777 /nfs/dbraw/zinc/22/27/77/496222777.db2.gz DDOHCADNSUAANE-CYBMUJFWSA-N 1 1 361.471 3.006 20 5 FGBDMO CCOC(=O)CC[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000161940260 496266501 /nfs/dbraw/zinc/26/65/01/496266501.db2.gz PMGOJMUECNJFBY-CQSZACIVSA-N 1 1 350.415 3.159 20 5 FGBDMO COCC[N@@H+](C)CCCC1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000162570625 496375304 /nfs/dbraw/zinc/37/53/04/496375304.db2.gz JQPSXBPWBZFLIM-UHFFFAOYSA-N 1 1 370.881 3.218 20 5 FGBDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000187325645 496394491 /nfs/dbraw/zinc/39/44/91/496394491.db2.gz JTTLELIUBMZOQV-SFHVURJKSA-N 1 1 355.438 3.481 20 5 FGBDMO CCC[N@@H+]1Cc2cccc(NC(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)c2C1 ZINC000181440290 496395860 /nfs/dbraw/zinc/39/58/60/496395860.db2.gz JTUAXOVRAVZJPH-UHFFFAOYSA-N 1 1 369.377 3.301 20 5 FGBDMO CCC[N@H+]1Cc2cccc(NC(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)c2C1 ZINC000181440290 496395866 /nfs/dbraw/zinc/39/58/66/496395866.db2.gz JTUAXOVRAVZJPH-UHFFFAOYSA-N 1 1 369.377 3.301 20 5 FGBDMO Cc1c(CC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000181497176 496420960 /nfs/dbraw/zinc/42/09/60/496420960.db2.gz YIZOIXUPPLIHHV-WBVHZDCISA-N 1 1 359.470 3.215 20 5 FGBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1ccc([S@@](C)=O)cc1 ZINC000178436395 496456306 /nfs/dbraw/zinc/45/63/06/496456306.db2.gz PIPNKWHTVYNHLY-RUZDIDTESA-N 1 1 362.451 3.233 20 5 FGBDMO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+](C)CC1CC1 ZINC000178595828 496510005 /nfs/dbraw/zinc/51/00/05/496510005.db2.gz HWBFHTKOUBARRE-NSHDSACASA-N 1 1 360.439 3.387 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000157726821 496539906 /nfs/dbraw/zinc/53/99/06/496539906.db2.gz NALYIRJZRNGCIK-CZUORRHYSA-N 1 1 363.483 3.263 20 5 FGBDMO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000153709561 496552664 /nfs/dbraw/zinc/55/26/64/496552664.db2.gz IZRVBIRHQHADKN-CQSZACIVSA-N 1 1 353.850 3.377 20 5 FGBDMO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000153709561 496552670 /nfs/dbraw/zinc/55/26/70/496552670.db2.gz IZRVBIRHQHADKN-CQSZACIVSA-N 1 1 353.850 3.377 20 5 FGBDMO COc1ccccc1[C@@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000157866618 496573632 /nfs/dbraw/zinc/57/36/32/496573632.db2.gz JCZGKNXBKSFVQD-OAHLLOKOSA-N 1 1 369.421 3.056 20 5 FGBDMO COc1ccccc1[C@@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000157866618 496573635 /nfs/dbraw/zinc/57/36/35/496573635.db2.gz JCZGKNXBKSFVQD-OAHLLOKOSA-N 1 1 369.421 3.056 20 5 FGBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2cccs2)c1 ZINC000175864557 496578193 /nfs/dbraw/zinc/57/81/93/496578193.db2.gz RECUPCAQZXMANR-GOEBONIOSA-N 1 1 364.471 3.221 20 5 FGBDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181887536 496587249 /nfs/dbraw/zinc/58/72/49/496587249.db2.gz UEEXGPLUDQRXGU-NXHRZFHOSA-N 1 1 356.422 3.213 20 5 FGBDMO COc1cc(C[N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)ccc1SC ZINC000153820262 496591253 /nfs/dbraw/zinc/59/12/53/496591253.db2.gz BXKVUVDIZIOVFH-MRXNPFEDSA-N 1 1 362.451 3.491 20 5 FGBDMO CCCC[N@@H+](CCCO)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000182163877 496693763 /nfs/dbraw/zinc/69/37/63/496693763.db2.gz GYHWGUASNDDMJE-GFCCVEGCSA-N 1 1 357.838 3.060 20 5 FGBDMO Cc1ccccc1[C@@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182217243 496711044 /nfs/dbraw/zinc/71/10/44/496711044.db2.gz AALXFVOBLYKVSK-WMZOPIPTSA-N 1 1 356.422 3.480 20 5 FGBDMO CSc1cccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000188257515 496732070 /nfs/dbraw/zinc/73/20/70/496732070.db2.gz WWAVZEWPHZYOSN-RDJZCZTQSA-N 1 1 371.462 3.492 20 5 FGBDMO CC(C)[N@H+]1CCCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000264175469 496828352 /nfs/dbraw/zinc/82/83/52/496828352.db2.gz IVEWQEKMJBFYDJ-UHFFFAOYSA-N 1 1 358.442 3.208 20 5 FGBDMO CC(C)N1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000264175469 496828356 /nfs/dbraw/zinc/82/83/56/496828356.db2.gz IVEWQEKMJBFYDJ-UHFFFAOYSA-N 1 1 358.442 3.208 20 5 FGBDMO CC(C)N1CCC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000264175469 496828362 /nfs/dbraw/zinc/82/83/62/496828362.db2.gz IVEWQEKMJBFYDJ-UHFFFAOYSA-N 1 1 358.442 3.208 20 5 FGBDMO COc1cc(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)cc([N+](=O)[O-])c1C ZINC000188753750 496897889 /nfs/dbraw/zinc/89/78/89/496897889.db2.gz DUGXKTBPKCJJFI-CQSZACIVSA-N 1 1 363.458 3.296 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](c4nccs4)C3)o2)cc1 ZINC000195354048 496900147 /nfs/dbraw/zinc/90/01/47/496900147.db2.gz LUCCUJWEJCUBBC-CYBMUJFWSA-N 1 1 371.422 3.481 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@@H](c4nccs4)C3)o2)cc1 ZINC000195354048 496900149 /nfs/dbraw/zinc/90/01/49/496900149.db2.gz LUCCUJWEJCUBBC-CYBMUJFWSA-N 1 1 371.422 3.481 20 5 FGBDMO COCCC[N@@H+](CCO)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000188927648 496950781 /nfs/dbraw/zinc/95/07/81/496950781.db2.gz MFRBPOQGVCCJMH-UHFFFAOYSA-N 1 1 350.440 3.154 20 5 FGBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000277976788 496958625 /nfs/dbraw/zinc/95/86/25/496958625.db2.gz BQCWZKMSSRQTDG-QPJJXVBHSA-N 1 1 367.405 3.381 20 5 FGBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000273984897 496981561 /nfs/dbraw/zinc/98/15/61/496981561.db2.gz VSWGIHKHHYMIAK-AWEZNQCLSA-N 1 1 365.449 3.248 20 5 FGBDMO C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000574898963 505878657 /nfs/dbraw/zinc/87/86/57/505878657.db2.gz HIBHVRCWVZXYPR-YJBOKZPZSA-N 1 1 368.437 3.079 20 5 FGBDMO C[C@@H](C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000248574219 497045403 /nfs/dbraw/zinc/04/54/03/497045403.db2.gz MYBJBUUVMKCPPS-KUHUBIRLSA-N 1 1 371.412 3.353 20 5 FGBDMO C[C@@H](C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000248574219 497045406 /nfs/dbraw/zinc/04/54/06/497045406.db2.gz MYBJBUUVMKCPPS-KUHUBIRLSA-N 1 1 371.412 3.353 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCc3cc(Cl)ccc3C2)c1 ZINC000192245421 497047735 /nfs/dbraw/zinc/04/77/35/497047735.db2.gz MMTRXNRQVAZIJG-KRWDZBQOSA-N 1 1 362.813 3.046 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCc3cc(Cl)ccc3C2)c1 ZINC000192245421 497047737 /nfs/dbraw/zinc/04/77/37/497047737.db2.gz MMTRXNRQVAZIJG-KRWDZBQOSA-N 1 1 362.813 3.046 20 5 FGBDMO COc1cc(C[N@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)c([N+](=O)[O-])cc1F ZINC000248601050 497053389 /nfs/dbraw/zinc/05/33/89/497053389.db2.gz AGBKBPJKOYKQAE-KBPBESRZSA-N 1 1 370.446 3.229 20 5 FGBDMO COc1cc(C[N@@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)c([N+](=O)[O-])cc1F ZINC000248601050 497053396 /nfs/dbraw/zinc/05/33/96/497053396.db2.gz AGBKBPJKOYKQAE-KBPBESRZSA-N 1 1 370.446 3.229 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000229072801 497096696 /nfs/dbraw/zinc/09/66/96/497096696.db2.gz FMIGZWWPUYUYBA-RHSMWYFYSA-N 1 1 354.410 3.108 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000229072801 497096703 /nfs/dbraw/zinc/09/67/03/497096703.db2.gz FMIGZWWPUYUYBA-RHSMWYFYSA-N 1 1 354.410 3.108 20 5 FGBDMO CC(C)NC(=O)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000236643198 497126544 /nfs/dbraw/zinc/12/65/44/497126544.db2.gz CCTKMSAAPZCBAX-UHFFFAOYSA-N 1 1 361.373 3.140 20 5 FGBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](CC)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000248951539 497140291 /nfs/dbraw/zinc/14/02/91/497140291.db2.gz ZWPGCTXWMPVOQI-ZWKOTPCHSA-N 1 1 361.486 3.354 20 5 FGBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000192564289 497150841 /nfs/dbraw/zinc/15/08/41/497150841.db2.gz NNDNIBWFUJBTMG-QGZVFWFLSA-N 1 1 357.458 3.096 20 5 FGBDMO Cc1c[nH+]ccc1OC1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000278549537 497150864 /nfs/dbraw/zinc/15/08/64/497150864.db2.gz VSVILTZNWYMHON-UHFFFAOYSA-N 1 1 359.411 3.055 20 5 FGBDMO C[C@@H](c1ccccn1)[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274817464 497174507 /nfs/dbraw/zinc/17/45/07/497174507.db2.gz JDOGZTLSJVNQOT-AWEZNQCLSA-N 1 1 366.425 3.139 20 5 FGBDMO COC(=O)c1coc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000278652322 497179933 /nfs/dbraw/zinc/17/99/33/497179933.db2.gz MGVHESTVZFUYJE-UHFFFAOYSA-N 1 1 358.272 3.283 20 5 FGBDMO CCO[C@@H]1C[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1OC ZINC000274885075 497189828 /nfs/dbraw/zinc/18/98/28/497189828.db2.gz CDEPSCCJIWWXGS-XHSDSOJGSA-N 1 1 363.439 3.000 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCCC4(CCOCC4)C3)o2)cc1 ZINC000266043157 497240620 /nfs/dbraw/zinc/24/06/20/497240620.db2.gz WUSJFYVWORZUAO-UHFFFAOYSA-N 1 1 358.398 3.037 20 5 FGBDMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc([N+](=O)[O-])c1C ZINC000189821334 497255990 /nfs/dbraw/zinc/25/59/90/497255990.db2.gz YLEHGZUVHKRHIZ-VQIMIIECSA-N 1 1 369.421 3.087 20 5 FGBDMO COc1ccc([C@H](CCO)[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000271727456 497429933 /nfs/dbraw/zinc/42/99/33/497429933.db2.gz XXEOUMAFJMNSQT-INIZCTEOSA-N 1 1 350.802 3.470 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000275859578 497449144 /nfs/dbraw/zinc/44/91/44/497449144.db2.gz IXKHPUMGRYXYHU-CYBMUJFWSA-N 1 1 351.790 3.182 20 5 FGBDMO CN(CCC[N@@H+](C)Cc1ccco1)c1ncnc2cccc([N+](=O)[O-])c21 ZINC000569326212 505908503 /nfs/dbraw/zinc/90/85/03/505908503.db2.gz MVSVNTZUOCEOER-UHFFFAOYSA-N 1 1 355.398 3.089 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193804600 497487723 /nfs/dbraw/zinc/48/77/23/497487723.db2.gz APOUSWVLTJWSMW-KRWDZBQOSA-N 1 1 353.422 3.155 20 5 FGBDMO CC[N@@H+](C)C[C@H]1CCN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000267250038 497510775 /nfs/dbraw/zinc/51/07/75/497510775.db2.gz OABDCLJUTPPHQJ-OAHLLOKOSA-N 1 1 355.442 3.138 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c([N+](=O)[O-])c1 ZINC000194066090 497562755 /nfs/dbraw/zinc/56/27/55/497562755.db2.gz LSGHFPADAQENBQ-CJNGLKHVSA-N 1 1 361.354 3.184 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c([N+](=O)[O-])c1 ZINC000194066090 497562759 /nfs/dbraw/zinc/56/27/59/497562759.db2.gz LSGHFPADAQENBQ-CJNGLKHVSA-N 1 1 361.354 3.184 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000272329287 497597555 /nfs/dbraw/zinc/59/75/55/497597555.db2.gz MSZFMZYIEZPGDX-DAXOMENPSA-N 1 1 374.441 3.435 20 5 FGBDMO CC(C)[N@H+]1CCC[C@H](CN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272515332 497648856 /nfs/dbraw/zinc/64/88/56/497648856.db2.gz JVRREUNWIHNUAZ-APWZRJJASA-N 1 1 371.485 3.128 20 5 FGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)c1 ZINC000246230973 497670249 /nfs/dbraw/zinc/67/02/49/497670249.db2.gz GCQVTGXBHIRJNE-MISYRCLQSA-N 1 1 374.412 3.355 20 5 FGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)c1 ZINC000246230963 497670321 /nfs/dbraw/zinc/67/03/21/497670321.db2.gz GCQVTGXBHIRJNE-DFQSSKMNSA-N 1 1 374.412 3.355 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246548245 497770778 /nfs/dbraw/zinc/77/07/78/497770778.db2.gz KVAQSJIUQCJLPR-SMDDNHRTSA-N 1 1 373.375 3.416 20 5 FGBDMO Cc1ccc(C[N@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000575165074 505934706 /nfs/dbraw/zinc/93/47/06/505934706.db2.gz VERSAGFGFBCSOQ-HXUWFJFHSA-N 1 1 358.413 3.469 20 5 FGBDMO C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000581217479 505935899 /nfs/dbraw/zinc/93/58/99/505935899.db2.gz JFXRCLZPHTXVLG-MAUKXSAKSA-N 1 1 371.437 3.150 20 5 FGBDMO CC[C@H](NC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000364272236 497872899 /nfs/dbraw/zinc/87/28/99/497872899.db2.gz JUVMCRVDBCQXFJ-NQYYFHDYSA-N 1 1 372.469 3.172 20 5 FGBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccccc3F)C2)c1 ZINC000364331159 497904209 /nfs/dbraw/zinc/90/42/09/497904209.db2.gz YCIDEKSWJISVQK-AWEZNQCLSA-N 1 1 370.388 3.158 20 5 FGBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3c[nH]nc3-c3ccccc3F)C2)c1 ZINC000364331159 497904215 /nfs/dbraw/zinc/90/42/15/497904215.db2.gz YCIDEKSWJISVQK-AWEZNQCLSA-N 1 1 370.388 3.158 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)N2CC[N@H+](C3CCC3)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000292382446 497994811 /nfs/dbraw/zinc/99/48/11/497994811.db2.gz RSSFSQBBBZJSKJ-GDBMZVCRSA-N 1 1 374.485 3.036 20 5 FGBDMO COc1ccc(C)cc1NC(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285153630 498008828 /nfs/dbraw/zinc/00/88/28/498008828.db2.gz AAUOQPRQDRTXPT-UHFFFAOYSA-N 1 1 357.410 3.025 20 5 FGBDMO COc1ccc(C)cc1NC(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285153630 498008823 /nfs/dbraw/zinc/00/88/23/498008823.db2.gz AAUOQPRQDRTXPT-UHFFFAOYSA-N 1 1 357.410 3.025 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)c1 ZINC000292469192 498027830 /nfs/dbraw/zinc/02/78/30/498027830.db2.gz UXLAOXLRKCHNCV-ZDUSSCGKSA-N 1 1 363.483 3.263 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@@H]1c1ccnn1C ZINC000281255945 498075497 /nfs/dbraw/zinc/07/54/97/498075497.db2.gz DXPFRVNRJVKIEA-GOSISDBHSA-N 1 1 371.441 3.193 20 5 FGBDMO C[N@@H+]1CC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]1c1ccccc1 ZINC000289437830 498146964 /nfs/dbraw/zinc/14/69/64/498146964.db2.gz STGPIGQLIMFTLU-BEFAXECRSA-N 1 1 352.394 3.271 20 5 FGBDMO C[N@H+]1CC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]1c1ccccc1 ZINC000289437830 498146970 /nfs/dbraw/zinc/14/69/70/498146970.db2.gz STGPIGQLIMFTLU-BEFAXECRSA-N 1 1 352.394 3.271 20 5 FGBDMO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000330701107 498176946 /nfs/dbraw/zinc/17/69/46/498176946.db2.gz HFMFINUWYJJXRC-CYBMUJFWSA-N 1 1 351.422 3.108 20 5 FGBDMO CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000330701107 498176954 /nfs/dbraw/zinc/17/69/54/498176954.db2.gz HFMFINUWYJJXRC-CYBMUJFWSA-N 1 1 351.422 3.108 20 5 FGBDMO CC[C@H](Nc1ccc([N+](=O)[O-])cn1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000301627056 498195919 /nfs/dbraw/zinc/19/59/19/498195919.db2.gz BAZHCMQKNXKCBA-ZWKOTPCHSA-N 1 1 356.426 3.081 20 5 FGBDMO CC[C@H](Nc1ccc([N+](=O)[O-])cn1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000301627056 498195927 /nfs/dbraw/zinc/19/59/27/498195927.db2.gz BAZHCMQKNXKCBA-ZWKOTPCHSA-N 1 1 356.426 3.081 20 5 FGBDMO CC(C)[N@H+]1CCC[C@@H](CNc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000301707840 498233595 /nfs/dbraw/zinc/23/35/95/498233595.db2.gz WHYGCFJFKOXEHM-NSHDSACASA-N 1 1 357.252 3.285 20 5 FGBDMO Cc1[nH+]ccn1CCCCNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000293029269 498241275 /nfs/dbraw/zinc/24/12/75/498241275.db2.gz PJYPZSSSAKLFGR-UHFFFAOYSA-N 1 1 359.430 3.114 20 5 FGBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000293080806 498260489 /nfs/dbraw/zinc/26/04/89/498260489.db2.gz CSARWZUDVDXUCZ-GFCCVEGCSA-N 1 1 373.375 3.418 20 5 FGBDMO C[N@H+]1CCC[C@]2(CCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)C1 ZINC000293089645 498263251 /nfs/dbraw/zinc/26/32/51/498263251.db2.gz WXGAOIJVIBOXHN-IBGZPJMESA-N 1 1 356.426 3.168 20 5 FGBDMO COC(=O)c1cc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc(C)c1[N+](=O)[O-] ZINC000301785957 498263783 /nfs/dbraw/zinc/26/37/83/498263783.db2.gz OWRCNEUGKRDXMD-RDTXWAMCSA-N 1 1 373.453 3.143 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@@H](Cc4ccncc4)C3)n2)cc1 ZINC000360324727 498265685 /nfs/dbraw/zinc/26/56/85/498265685.db2.gz XSLYNMROSKTKRU-HNNXBMFYSA-N 1 1 365.393 3.104 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]CC1(O)CCC(C)(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000581559532 506015770 /nfs/dbraw/zinc/01/57/70/506015770.db2.gz CAYBYWILMIXPNP-QGZVFWFLSA-N 1 1 372.469 3.339 20 5 FGBDMO O=[N+]([O-])c1ccsc1NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000301930072 498332303 /nfs/dbraw/zinc/33/23/03/498332303.db2.gz KCDWKYMAIBNXCQ-UHFFFAOYSA-N 1 1 350.419 3.030 20 5 FGBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CCN(CCc2ccncc2)CC1 ZINC000361048599 498337423 /nfs/dbraw/zinc/33/74/23/498337423.db2.gz OOAQEFUFEJSJPC-UHFFFAOYSA-N 1 1 354.454 3.129 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000289969546 498375675 /nfs/dbraw/zinc/37/56/75/498375675.db2.gz XEWHQOKPUXOSRP-FUHWJXTLSA-N 1 1 361.442 3.121 20 5 FGBDMO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c(F)c1 ZINC000302059759 498389430 /nfs/dbraw/zinc/38/94/30/498389430.db2.gz SKRILDHVDHVEET-KRWDZBQOSA-N 1 1 359.401 3.303 20 5 FGBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000331723173 498432787 /nfs/dbraw/zinc/43/27/87/498432787.db2.gz UYUXSHCQRNDLFJ-HZSPNIEDSA-N 1 1 358.442 3.172 20 5 FGBDMO Cn1cc[nH+]c1C[C@@H]1CCCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000365466837 498481703 /nfs/dbraw/zinc/48/17/03/498481703.db2.gz YSDMERAWPPENMQ-NSHDSACASA-N 1 1 369.347 3.201 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000362279191 498487615 /nfs/dbraw/zinc/48/76/15/498487615.db2.gz HIDFZRKOLQRCQM-KGLIPLIRSA-N 1 1 363.483 3.452 20 5 FGBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc(Br)cc3)CC2)n1 ZINC000365507235 498503966 /nfs/dbraw/zinc/50/39/66/498503966.db2.gz HGQKBPBMUVHFOG-UHFFFAOYSA-N 1 1 365.231 3.391 20 5 FGBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCN2c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000302551355 498505910 /nfs/dbraw/zinc/50/59/10/498505910.db2.gz WHWBDTJTQSQVTQ-VNHYZAJKSA-N 1 1 353.850 3.326 20 5 FGBDMO C[C@@H]1C[N@H+](C[C@H]2CCCN2c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000302551355 498505918 /nfs/dbraw/zinc/50/59/18/498505918.db2.gz WHWBDTJTQSQVTQ-VNHYZAJKSA-N 1 1 353.850 3.326 20 5 FGBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cccc3cc[nH]c32)CC1 ZINC000293922200 498535034 /nfs/dbraw/zinc/53/50/34/498535034.db2.gz GSHZQYNIHFRKFM-UHFFFAOYSA-N 1 1 364.405 3.034 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)[C@H](C)C1 ZINC000297714668 498545075 /nfs/dbraw/zinc/54/50/75/498545075.db2.gz NHIDFSVZWDUDSN-IUODEOHRSA-N 1 1 353.850 3.359 20 5 FGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H](CCO)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000286947396 498563789 /nfs/dbraw/zinc/56/37/89/498563789.db2.gz MIGBEQMGWNTQAU-OAHLLOKOSA-N 1 1 365.773 3.370 20 5 FGBDMO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCN(c2ncccn2)CC1 ZINC000365789676 498642161 /nfs/dbraw/zinc/64/21/61/498642161.db2.gz ZFPOUCVQKDOLHR-UHFFFAOYSA-N 1 1 361.833 3.139 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H](C)CCSC ZINC000298029721 498643618 /nfs/dbraw/zinc/64/36/18/498643618.db2.gz BNHLUSYYDAHMBQ-GFCCVEGCSA-N 1 1 355.460 3.005 20 5 FGBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)cc1 ZINC000303164452 498652398 /nfs/dbraw/zinc/65/23/98/498652398.db2.gz FSKLVYKAPDRJEJ-ZDUSSCGKSA-N 1 1 370.409 3.322 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)N2C[C@H]3CCCC[N@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000332485322 498701443 /nfs/dbraw/zinc/70/14/43/498701443.db2.gz NIUZHMSPPAOYLG-HLLBOEOZSA-N 1 1 360.458 3.232 20 5 FGBDMO COc1cc(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000294541339 498724186 /nfs/dbraw/zinc/72/41/86/498724186.db2.gz QHJNVHJXOUEHES-ZDUSSCGKSA-N 1 1 367.421 3.127 20 5 FGBDMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000332612358 498742608 /nfs/dbraw/zinc/74/26/08/498742608.db2.gz QDCCQTDFDSQSLH-AAEUAGOBSA-N 1 1 352.822 3.339 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000298367494 498747328 /nfs/dbraw/zinc/74/73/28/498747328.db2.gz SZMQBNMSIFMSQQ-ZDUSSCGKSA-N 1 1 359.451 3.141 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000298367494 498747332 /nfs/dbraw/zinc/74/73/32/498747332.db2.gz SZMQBNMSIFMSQQ-ZDUSSCGKSA-N 1 1 359.451 3.141 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000363352981 498776963 /nfs/dbraw/zinc/77/69/63/498776963.db2.gz QKZREDFRKDOWMM-BHYGNILZSA-N 1 1 360.458 3.232 20 5 FGBDMO Cc1cc(Cl)c(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000294803970 498810662 /nfs/dbraw/zinc/81/06/62/498810662.db2.gz FHVBIMJGLRBAER-ZDUSSCGKSA-N 1 1 353.850 3.407 20 5 FGBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1)CC(F)(F)F ZINC000283199984 498814726 /nfs/dbraw/zinc/81/47/26/498814726.db2.gz RHAHILRXDFOUNJ-CYBMUJFWSA-N 1 1 363.355 3.440 20 5 FGBDMO COC(=O)c1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000573019861 506100340 /nfs/dbraw/zinc/10/03/40/506100340.db2.gz OEELEEHQHHPOJH-UHFFFAOYSA-N 1 1 366.320 3.273 20 5 FGBDMO CC[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H](O)C(F)F ZINC000294971995 498866497 /nfs/dbraw/zinc/86/64/97/498866497.db2.gz FTYVGKNNAXXNRV-STQMWFEESA-N 1 1 357.382 3.213 20 5 FGBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363558107 498878153 /nfs/dbraw/zinc/87/81/53/498878153.db2.gz NYANUWSXJWQNTC-DETPVDSQSA-N 1 1 364.833 3.196 20 5 FGBDMO CC(C)(CCC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)[N+](=O)[O-] ZINC000295076940 498901191 /nfs/dbraw/zinc/90/11/91/498901191.db2.gz WLSPZQDYVVIBKZ-RBUKOAKNSA-N 1 1 373.497 3.335 20 5 FGBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000363625150 498909728 /nfs/dbraw/zinc/90/97/28/498909728.db2.gz SEYCQQZRTSAFRQ-KRWDZBQOSA-N 1 1 353.422 3.237 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCn1c[nH+]c2c1C[C@H](C)[C@@H](C)C2 ZINC000295213222 498945408 /nfs/dbraw/zinc/94/54/08/498945408.db2.gz UWPIINGIGJPSOZ-STQMWFEESA-N 1 1 372.425 3.200 20 5 FGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCSC[C@H]2c2cccs2)c1 ZINC000366649747 499018238 /nfs/dbraw/zinc/01/82/38/499018238.db2.gz DAPUSSDAZBXSJJ-LSDHHAIUSA-N 1 1 350.465 3.480 20 5 FGBDMO C[N@@H+](CCCc1cc(-c2ccc(F)cc2)no1)CCn1cc([N+](=O)[O-])cn1 ZINC000372677508 499159418 /nfs/dbraw/zinc/15/94/18/499159418.db2.gz ZXGJFEIXVZKDCN-UHFFFAOYSA-N 1 1 373.388 3.150 20 5 FGBDMO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000372741934 499168815 /nfs/dbraw/zinc/16/88/15/499168815.db2.gz OPHAJMWWINZPKG-SFHVURJKSA-N 1 1 371.441 3.111 20 5 FGBDMO C[N@@H+](C[C@@H]1CC12CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1)CC2)C1CC1 ZINC000367308208 499177620 /nfs/dbraw/zinc/17/76/20/499177620.db2.gz BPOAEBOHOGEDNT-AWEZNQCLSA-N 1 1 358.442 3.323 20 5 FGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@](O)(c3ccccc3)CC2)c1 ZINC000367701457 499226297 /nfs/dbraw/zinc/22/62/97/499226297.db2.gz KWPAZONQFSDRMM-WOJBJXKFSA-N 1 1 356.422 3.002 20 5 FGBDMO Cc1[nH]c2ccccc2c1C1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000371058756 499284562 /nfs/dbraw/zinc/28/45/62/499284562.db2.gz HBUJNNOBNMKUDV-UHFFFAOYSA-N 1 1 353.426 3.498 20 5 FGBDMO COc1cc(C[NH+]2CCC(OCC3CC3)CC2)c([N+](=O)[O-])cc1OC ZINC000371335589 499311887 /nfs/dbraw/zinc/31/18/87/499311887.db2.gz KZBUWYYTFGADPC-UHFFFAOYSA-N 1 1 350.415 3.003 20 5 FGBDMO Cc1[nH+]c(CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c2n1CCCC2 ZINC000371426509 499325113 /nfs/dbraw/zinc/32/51/13/499325113.db2.gz PWBVLLSLVJQQME-UHFFFAOYSA-N 1 1 371.441 3.171 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1c1ccc(CNC(C)=O)o1 ZINC000368760155 499328891 /nfs/dbraw/zinc/32/88/91/499328891.db2.gz DRLGGMZFOROIFU-KRWDZBQOSA-N 1 1 373.409 3.170 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1c1ccc(CNC(C)=O)o1 ZINC000368760155 499328892 /nfs/dbraw/zinc/32/88/92/499328892.db2.gz DRLGGMZFOROIFU-KRWDZBQOSA-N 1 1 373.409 3.170 20 5 FGBDMO C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000371493790 499334300 /nfs/dbraw/zinc/33/43/00/499334300.db2.gz UIDQYUWSDOPKMB-WBVHZDCISA-N 1 1 353.422 3.235 20 5 FGBDMO Cc1cccc(NC2CCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)CC2)[nH+]1 ZINC000369469983 499406156 /nfs/dbraw/zinc/40/61/56/499406156.db2.gz MEFHSFVRYFDUNR-CMDGGOBGSA-N 1 1 366.421 3.415 20 5 FGBDMO Cn1cc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(-c2cccs2)n1 ZINC000373209567 499457464 /nfs/dbraw/zinc/45/74/64/499457464.db2.gz LNCUSSHNJKUZRX-UHFFFAOYSA-N 1 1 368.422 3.223 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@H](c4ccncn4)C3)co2)cc1 ZINC000378324686 499501851 /nfs/dbraw/zinc/50/18/51/499501851.db2.gz YCVFKCAWTKFXOL-OAHLLOKOSA-N 1 1 365.393 3.419 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@@H](c4ccncn4)C3)co2)cc1 ZINC000378324686 499501852 /nfs/dbraw/zinc/50/18/52/499501852.db2.gz YCVFKCAWTKFXOL-OAHLLOKOSA-N 1 1 365.393 3.419 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@H](c3nnc[nH]3)C2)o1 ZINC000378346406 499504411 /nfs/dbraw/zinc/50/44/11/499504411.db2.gz QSZPVGSMJVJDII-ZDUSSCGKSA-N 1 1 353.382 3.353 20 5 FGBDMO O=C(CC[N@@H+]1CC=C(c2cccnc2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000375357446 499510352 /nfs/dbraw/zinc/51/03/52/499510352.db2.gz RTJSJSYFGWQJAD-UHFFFAOYSA-N 1 1 370.384 3.247 20 5 FGBDMO CNc1c(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000379674540 499542514 /nfs/dbraw/zinc/54/25/14/499542514.db2.gz VVXATNOWRMOQNL-INIZCTEOSA-N 1 1 368.437 3.031 20 5 FGBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ncc(-c4ccccc4F)o3)CC2)n1 ZINC000376477305 499611534 /nfs/dbraw/zinc/61/15/34/499611534.db2.gz LDWUBEIYASLPPN-UHFFFAOYSA-N 1 1 371.372 3.423 20 5 FGBDMO C[N@H+]1CC[C@@H](CNCc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1cccnc1 ZINC000377298630 499677834 /nfs/dbraw/zinc/67/78/34/499677834.db2.gz OJIAZWVCQRIHPU-YJBOKZPZSA-N 1 1 360.845 3.426 20 5 FGBDMO COCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1cccs1 ZINC000411140832 499702407 /nfs/dbraw/zinc/70/24/07/499702407.db2.gz UVOIMUXJYNWDJI-UHFFFAOYSA-N 1 1 363.439 3.134 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](Cc1ccco1)C(C)C ZINC000411197106 499709786 /nfs/dbraw/zinc/70/97/86/499709786.db2.gz VJSGDZCSIMTSAD-UHFFFAOYSA-N 1 1 361.398 3.436 20 5 FGBDMO C[C@@H]1COC[C@@H](c2ccccc2)[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411432350 499739535 /nfs/dbraw/zinc/73/95/35/499739535.db2.gz WCJNTVKIOUDSNB-BEFAXECRSA-N 1 1 369.421 3.385 20 5 FGBDMO C[C@@H]1COC[C@@H](c2ccccc2)[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411432350 499739537 /nfs/dbraw/zinc/73/95/37/499739537.db2.gz WCJNTVKIOUDSNB-BEFAXECRSA-N 1 1 369.421 3.385 20 5 FGBDMO CC(C)[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nc(C2CC2)no1 ZINC000411482789 499746243 /nfs/dbraw/zinc/74/62/43/499746243.db2.gz AUTLENGKJVIKNH-MRXNPFEDSA-N 1 1 373.413 3.171 20 5 FGBDMO C[C@H](NC1CC[NH+](CCc2ccncc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000377964171 499751802 /nfs/dbraw/zinc/75/18/02/499751802.db2.gz VAJMOFYZILAMIP-INIZCTEOSA-N 1 1 354.454 3.348 20 5 FGBDMO CC(C)Oc1cc(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)ccc1[N+](=O)[O-] ZINC000412286605 499841429 /nfs/dbraw/zinc/84/14/29/499841429.db2.gz DDUDWWSLUDKJTE-MRXNPFEDSA-N 1 1 361.442 3.129 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000412697948 499876852 /nfs/dbraw/zinc/87/68/52/499876852.db2.gz MXOQXFOMYSZLGI-MRXNPFEDSA-N 1 1 353.422 3.250 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000412697948 499876853 /nfs/dbraw/zinc/87/68/53/499876853.db2.gz MXOQXFOMYSZLGI-MRXNPFEDSA-N 1 1 353.422 3.250 20 5 FGBDMO Cc1cccc(C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000412696753 499876954 /nfs/dbraw/zinc/87/69/54/499876954.db2.gz KRUNSSNNSCYHMT-MRXNPFEDSA-N 1 1 353.422 3.250 20 5 FGBDMO Cc1cccc(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000412696753 499876955 /nfs/dbraw/zinc/87/69/55/499876955.db2.gz KRUNSSNNSCYHMT-MRXNPFEDSA-N 1 1 353.422 3.250 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000412697947 499877024 /nfs/dbraw/zinc/87/70/24/499877024.db2.gz MXOQXFOMYSZLGI-INIZCTEOSA-N 1 1 353.422 3.250 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000412697947 499877026 /nfs/dbraw/zinc/87/70/26/499877026.db2.gz MXOQXFOMYSZLGI-INIZCTEOSA-N 1 1 353.422 3.250 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])cc1-c1nc([C@@H]2C[N@H+]3CCC[C@@]3(C)CO2)no1 ZINC000421278003 500008734 /nfs/dbraw/zinc/00/87/34/500008734.db2.gz VWWOAOPBDHVAHE-YJBOKZPZSA-N 1 1 358.398 3.187 20 5 FGBDMO COCC(C)(C)[N@@H+](C)Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000429264900 500037044 /nfs/dbraw/zinc/03/70/44/500037044.db2.gz QOZXOJLSICMKPY-UHFFFAOYSA-N 1 1 362.373 3.104 20 5 FGBDMO Cc1ccc(CNC(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1F ZINC000429265541 500037694 /nfs/dbraw/zinc/03/76/94/500037694.db2.gz QGOIODFGWGTFEN-UHFFFAOYSA-N 1 1 359.401 3.183 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C(=O)OC)[C@@H]1C(C)C ZINC000429389214 500066874 /nfs/dbraw/zinc/06/68/74/500066874.db2.gz PWEYQRWVAUNWCD-RDJZCZTQSA-N 1 1 350.415 3.013 20 5 FGBDMO COc1ccc(NC(=O)CC[N@H+]2CCc3cccc(C)c3C2)c([N+](=O)[O-])c1 ZINC000429573207 500106241 /nfs/dbraw/zinc/10/62/41/500106241.db2.gz LLESBWKCUKCJCS-UHFFFAOYSA-N 1 1 369.421 3.299 20 5 FGBDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425439686 500106532 /nfs/dbraw/zinc/10/65/32/500106532.db2.gz FNECPEONNCUPSX-JTNHKYCSSA-N 1 1 357.248 3.339 20 5 FGBDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425439686 500106535 /nfs/dbraw/zinc/10/65/35/500106535.db2.gz FNECPEONNCUPSX-JTNHKYCSSA-N 1 1 357.248 3.339 20 5 FGBDMO CCC[C@]1(CO)CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425439917 500106784 /nfs/dbraw/zinc/10/67/84/500106784.db2.gz AZRZAIHUGLHMPZ-HNNXBMFYSA-N 1 1 357.248 3.342 20 5 FGBDMO CCC[C@]1(CO)CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425439917 500106785 /nfs/dbraw/zinc/10/67/85/500106785.db2.gz AZRZAIHUGLHMPZ-HNNXBMFYSA-N 1 1 357.248 3.342 20 5 FGBDMO C[C@@H](CO)[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C1CCCC1 ZINC000425442263 500107738 /nfs/dbraw/zinc/10/77/38/500107738.db2.gz JHJMKFPQNRAWRG-NSHDSACASA-N 1 1 357.248 3.483 20 5 FGBDMO CCOC(=O)C[C@H](C)[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425458054 500111756 /nfs/dbraw/zinc/11/17/56/500111756.db2.gz LVSLZFFAEQRHRM-JTQLQIEISA-N 1 1 359.220 3.131 20 5 FGBDMO CCCCCC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430223324 500211400 /nfs/dbraw/zinc/21/14/00/500211400.db2.gz FVNGLLCDHOHVEE-UHFFFAOYSA-N 1 1 363.458 3.264 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000425970158 500218973 /nfs/dbraw/zinc/21/89/73/500218973.db2.gz ZBMDVQAOJZCLGH-HVRVZBDQSA-N 1 1 372.469 3.076 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000425970158 500218976 /nfs/dbraw/zinc/21/89/76/500218976.db2.gz ZBMDVQAOJZCLGH-HVRVZBDQSA-N 1 1 372.469 3.076 20 5 FGBDMO CN(c1ccccc1)c1ccc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000426001822 500224228 /nfs/dbraw/zinc/22/42/28/500224228.db2.gz ZGEIDMJGJHVXCI-HDICACEKSA-N 1 1 366.465 3.356 20 5 FGBDMO COc1ccc(C[N@H+]2CCC[C@H]2COc2cccnc2C)cc1[N+](=O)[O-] ZINC000418144308 500236522 /nfs/dbraw/zinc/23/65/22/500236522.db2.gz SNNLVUKKLUSXRI-INIZCTEOSA-N 1 1 357.410 3.350 20 5 FGBDMO CC(C)C1(C)CC[NH+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000426761511 500316694 /nfs/dbraw/zinc/31/66/94/500316694.db2.gz BEKXJKKKYPQAIE-UHFFFAOYSA-N 1 1 363.414 3.020 20 5 FGBDMO CC[N@@H+](CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])CCC(F)(F)F ZINC000427276316 500376644 /nfs/dbraw/zinc/37/66/44/500376644.db2.gz SXPNFEJMJNQYPF-UHFFFAOYSA-N 1 1 367.755 3.252 20 5 FGBDMO C[C@H]1OCC[C@]1(O)C[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000570551681 506193991 /nfs/dbraw/zinc/19/39/91/506193991.db2.gz LZPNWVULRAKKCN-QRWLVFNGSA-N 1 1 374.412 3.276 20 5 FGBDMO C[C@H]1OCC[C@]1(O)C[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000570551681 506193993 /nfs/dbraw/zinc/19/39/93/506193993.db2.gz LZPNWVULRAKKCN-QRWLVFNGSA-N 1 1 374.412 3.276 20 5 FGBDMO O=[N+]([O-])c1cccc2c(N3CC[NH+](Cc4cccc(O)c4)CC3)ccnc21 ZINC000432326385 500499580 /nfs/dbraw/zinc/49/95/80/500499580.db2.gz PAXIFGZOXOPPPV-UHFFFAOYSA-N 1 1 364.405 3.171 20 5 FGBDMO Cc1ccc(NC(=O)CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)nc1 ZINC000447305598 500588526 /nfs/dbraw/zinc/58/85/26/500588526.db2.gz PDAQAUDIYQTPSG-UHFFFAOYSA-N 1 1 354.410 3.291 20 5 FGBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000433058215 500615878 /nfs/dbraw/zinc/61/58/78/500615878.db2.gz KAWNEOKFMBEWIJ-INIZCTEOSA-N 1 1 369.421 3.422 20 5 FGBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000433058215 500615879 /nfs/dbraw/zinc/61/58/79/500615879.db2.gz KAWNEOKFMBEWIJ-INIZCTEOSA-N 1 1 369.421 3.422 20 5 FGBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437227186 500617558 /nfs/dbraw/zinc/61/75/58/500617558.db2.gz QRCFVHMUEZXZTJ-ZDUSSCGKSA-N 1 1 359.348 3.218 20 5 FGBDMO C[N@H+]1CCC[C@@H](CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1c1cccs1 ZINC000447688376 500645855 /nfs/dbraw/zinc/64/58/55/500645855.db2.gz XQJAVBUISDLZTN-SJCJKPOMSA-N 1 1 371.466 3.450 20 5 FGBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000437513805 500652937 /nfs/dbraw/zinc/65/29/37/500652937.db2.gz ICHCZSNYZSMYSD-SFHVURJKSA-N 1 1 356.422 3.307 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000437827587 500702032 /nfs/dbraw/zinc/70/20/32/500702032.db2.gz HDTUTZQFNQQMAT-INIZCTEOSA-N 1 1 369.421 3.249 20 5 FGBDMO Cc1c(CNC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)cccc1[N+](=O)[O-] ZINC000437855950 500707753 /nfs/dbraw/zinc/70/77/53/500707753.db2.gz WVUNCPOTANRDRO-SFHVURJKSA-N 1 1 374.485 3.500 20 5 FGBDMO CC(C)NC(=O)c1ccc(NC[C@H]2CCCC[N@H+]2C2CC2)c([N+](=O)[O-])c1 ZINC000433799712 500746345 /nfs/dbraw/zinc/74/63/45/500746345.db2.gz SFVMNTXQBNCWAT-MRXNPFEDSA-N 1 1 360.458 3.162 20 5 FGBDMO O=C(c1cc(NC[C@H]2CCCC[N@H+]2C2CC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000433806651 500747405 /nfs/dbraw/zinc/74/74/05/500747405.db2.gz WWLRJSDTJXQQHB-QGZVFWFLSA-N 1 1 372.469 3.260 20 5 FGBDMO Cn1cc(CNCC[N@@H+]2CCCC(C)(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000444008027 500791655 /nfs/dbraw/zinc/79/16/55/500791655.db2.gz JBBYENOINHPJRQ-UHFFFAOYSA-N 1 1 371.485 3.207 20 5 FGBDMO Cn1cc(CNCC[N@H+]2CCCC(C)(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000444008027 500791657 /nfs/dbraw/zinc/79/16/57/500791657.db2.gz JBBYENOINHPJRQ-UHFFFAOYSA-N 1 1 371.485 3.207 20 5 FGBDMO C[C@H](CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000448705243 500809782 /nfs/dbraw/zinc/80/97/82/500809782.db2.gz SHEBKEVRLKNQCY-NWDGAFQWSA-N 1 1 373.375 3.464 20 5 FGBDMO CC(C)c1[nH]nc(C(=O)N(CC[NH+](C)C)CC2CCCCC2)c1[N+](=O)[O-] ZINC000434227011 500813355 /nfs/dbraw/zinc/81/33/55/500813355.db2.gz GKOZXQVYIMIEQN-UHFFFAOYSA-N 1 1 365.478 3.025 20 5 FGBDMO O=[N+]([O-])c1sc(C[NH2+][C@H]2c3ccccc3C[C@H]2O)cc1Br ZINC000602566832 506219589 /nfs/dbraw/zinc/21/95/89/506219589.db2.gz BSYMQQASVVNHRW-OLZOCXBDSA-N 1 1 369.240 3.167 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOc2c(F)cccc2C1 ZINC000434621697 500867572 /nfs/dbraw/zinc/86/75/72/500867572.db2.gz WDRBTMAOUQRDGZ-UHFFFAOYSA-N 1 1 373.384 3.266 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCOc2c(F)cccc2C1 ZINC000434621697 500867574 /nfs/dbraw/zinc/86/75/74/500867574.db2.gz WDRBTMAOUQRDGZ-UHFFFAOYSA-N 1 1 373.384 3.266 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444636860 500871410 /nfs/dbraw/zinc/87/14/10/500871410.db2.gz DZKXXGHOSGUYBV-HNNXBMFYSA-N 1 1 365.437 3.177 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000444721596 500887624 /nfs/dbraw/zinc/88/76/24/500887624.db2.gz WIOLDNSPAUPUKK-ABAIWWIYSA-N 1 1 362.348 3.129 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000444721596 500887626 /nfs/dbraw/zinc/88/76/26/500887626.db2.gz WIOLDNSPAUPUKK-ABAIWWIYSA-N 1 1 362.348 3.129 20 5 FGBDMO C[C@@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000611584705 506222719 /nfs/dbraw/zinc/22/27/19/506222719.db2.gz LCTPKOXMVZCKPH-ZIAGYGMSSA-N 1 1 370.453 3.459 20 5 FGBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCC[C@H]2c2cccc(Cl)c2)c1 ZINC000444797278 500902717 /nfs/dbraw/zinc/90/27/17/500902717.db2.gz CPCDOVOWCLFAHO-SJORKVTESA-N 1 1 364.833 3.033 20 5 FGBDMO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@H]1CCN2CCO[C@H]1C2 ZINC000449366876 500988430 /nfs/dbraw/zinc/98/84/30/500988430.db2.gz XVLFHGUHWSSPCA-ROUUACIJSA-N 1 1 373.478 3.228 20 5 FGBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000445894000 501048217 /nfs/dbraw/zinc/04/82/17/501048217.db2.gz NXUADKQSDUBHAB-XHSDSOJGSA-N 1 1 374.485 3.029 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H](C)[C@H]1Cc2ccccc2O1 ZINC000441048092 501079594 /nfs/dbraw/zinc/07/95/94/501079594.db2.gz QWPQNHUKYOTHIU-AUUYWEPGSA-N 1 1 369.421 3.166 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H](C)[C@H]1Cc2ccccc2O1 ZINC000441048092 501079596 /nfs/dbraw/zinc/07/95/96/501079596.db2.gz QWPQNHUKYOTHIU-AUUYWEPGSA-N 1 1 369.421 3.166 20 5 FGBDMO CC1(C)C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1c1ccccc1 ZINC000441076333 501084119 /nfs/dbraw/zinc/08/41/19/501084119.db2.gz DCYCIOKKPZEDTM-AZUAARDMSA-N 1 1 370.449 3.460 20 5 FGBDMO CCOC(=O)[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000441134988 501092710 /nfs/dbraw/zinc/09/27/10/501092710.db2.gz RAWDIDUKOUELAM-IBGZPJMESA-N 1 1 370.405 3.136 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000446346859 501108108 /nfs/dbraw/zinc/10/81/08/501108108.db2.gz ROEYIRJXHAFHHE-UHFFFAOYSA-N 1 1 353.850 3.408 20 5 FGBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000450404400 501114103 /nfs/dbraw/zinc/11/41/03/501114103.db2.gz OFRCSECOCJGRQH-CYBMUJFWSA-N 1 1 355.423 3.446 20 5 FGBDMO CCOc1ccccc1C[N@@H+]1CCN(c2ccc([N+](=O)[O-])nc2)[C@H](C)C1 ZINC000450500896 501137927 /nfs/dbraw/zinc/13/79/27/501137927.db2.gz OSDMJZCVKUUAOZ-OAHLLOKOSA-N 1 1 356.426 3.099 20 5 FGBDMO CCOc1ccccc1C[N@H+]1CCN(c2ccc([N+](=O)[O-])nc2)[C@H](C)C1 ZINC000450500896 501137929 /nfs/dbraw/zinc/13/79/29/501137929.db2.gz OSDMJZCVKUUAOZ-OAHLLOKOSA-N 1 1 356.426 3.099 20 5 FGBDMO Cc1nc(N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)ncc1[N+](=O)[O-] ZINC000450507051 501139011 /nfs/dbraw/zinc/13/90/11/501139011.db2.gz OZUFSESEKNGGDC-KRWDZBQOSA-N 1 1 355.442 3.406 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000451226993 501253503 /nfs/dbraw/zinc/25/35/03/501253503.db2.gz KIDXZSUTSPCWIE-OWCLPIDISA-N 1 1 353.422 3.245 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCn1c[nH+]c2c1C[C@@H](C)[C@@H](C)C2 ZINC000451345866 501271454 /nfs/dbraw/zinc/27/14/54/501271454.db2.gz SVDZOQWSHDVGMB-QWHCGFSZSA-N 1 1 356.426 3.499 20 5 FGBDMO Cc1oc2ccccc2c1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000453572561 501350917 /nfs/dbraw/zinc/35/09/17/501350917.db2.gz DQINDWZSAQVAFC-UHFFFAOYSA-N 1 1 352.394 3.367 20 5 FGBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602665272 506251469 /nfs/dbraw/zinc/25/14/69/506251469.db2.gz GMGOACCUECJHCL-CABZTGNLSA-N 1 1 362.293 3.191 20 5 FGBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000458420619 501441059 /nfs/dbraw/zinc/44/10/59/501441059.db2.gz KUURWJXGGRPAJV-FQEVSTJZSA-N 1 1 374.485 3.045 20 5 FGBDMO CC[C@H](NC(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000458526804 501466173 /nfs/dbraw/zinc/46/61/73/501466173.db2.gz YFRZBSLBQBSGCG-KSSFIOAISA-N 1 1 360.458 3.172 20 5 FGBDMO C[C@H](NC(=O)NCCCC[N@H+]1CCC[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000454312066 501510020 /nfs/dbraw/zinc/51/00/20/501510020.db2.gz CNFJOLZJJZQMBN-HOTGVXAUSA-N 1 1 362.474 3.467 20 5 FGBDMO CC[C@H](C)[NH+]1CCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000456563620 501549011 /nfs/dbraw/zinc/54/90/11/501549011.db2.gz WPCSJMUTNAPQHK-KBPBESRZSA-N 1 1 351.472 3.018 20 5 FGBDMO C[C@H](NC(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000458882599 501551753 /nfs/dbraw/zinc/55/17/53/501551753.db2.gz BPQLGXLDPOPBJT-JTOWHCCKSA-N 1 1 360.458 3.028 20 5 FGBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000454513821 501565795 /nfs/dbraw/zinc/56/57/95/501565795.db2.gz ISBNRIMQDLKGET-LLVKDONJSA-N 1 1 372.372 3.144 20 5 FGBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000454771100 501626273 /nfs/dbraw/zinc/62/62/73/501626273.db2.gz UTMXIKOKHPMBQX-CVEARBPZSA-N 1 1 370.453 3.476 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](n1cccn1)C(F)(F)F ZINC000598989962 506265785 /nfs/dbraw/zinc/26/57/85/506265785.db2.gz XPLKMCXHUWEKGU-AWEZNQCLSA-N 1 1 358.320 3.083 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCc3cccc(Cl)c3C2)c1 ZINC000459685377 501698722 /nfs/dbraw/zinc/69/87/22/501698722.db2.gz VSKRQDJCLURYOO-HNNXBMFYSA-N 1 1 362.813 3.046 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCc3cccc(Cl)c3C2)c1 ZINC000459685377 501698724 /nfs/dbraw/zinc/69/87/24/501698724.db2.gz VSKRQDJCLURYOO-HNNXBMFYSA-N 1 1 362.813 3.046 20 5 FGBDMO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CC(C)(C)C1 ZINC000459747664 501708020 /nfs/dbraw/zinc/70/80/20/501708020.db2.gz WMDMFGXQRDUZIA-UHFFFAOYSA-N 1 1 370.247 3.416 20 5 FGBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[N@H+]1CCCC[C@H]1C ZINC000485192771 501751538 /nfs/dbraw/zinc/75/15/38/501751538.db2.gz BLIITVWCLORTOM-NEPJUHHUSA-N 1 1 371.384 3.189 20 5 FGBDMO COCC[C@H]1CCCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000467266693 501752597 /nfs/dbraw/zinc/75/25/97/501752597.db2.gz UGQWHIOBCXHQBM-HZPDHXFCSA-N 1 1 363.458 3.369 20 5 FGBDMO COCC[C@@H]1CCCC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000467269357 501753225 /nfs/dbraw/zinc/75/32/25/501753225.db2.gz RNPJBEFSUZOXOI-HNNXBMFYSA-N 1 1 352.431 3.121 20 5 FGBDMO COC(=O)COc1ccc(C[NH2+][C@@H]2CSc3ccccc32)cc1[N+](=O)[O-] ZINC000474373918 501810624 /nfs/dbraw/zinc/81/06/24/501810624.db2.gz ODJHOBDHBUITGB-CQSZACIVSA-N 1 1 374.418 3.083 20 5 FGBDMO CN(c1nc2sccn2c1[N+](=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470870673 501836608 /nfs/dbraw/zinc/83/66/08/501836608.db2.gz AWWYYLBGWNGSJY-OAHLLOKOSA-N 1 1 371.466 3.405 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000463976569 501868725 /nfs/dbraw/zinc/86/87/25/501868725.db2.gz XKAVXHXXINYHBH-UHFFFAOYSA-N 1 1 356.426 3.465 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000460818668 501928857 /nfs/dbraw/zinc/92/88/57/501928857.db2.gz QFFLXLQPKMTSEK-UHFFFAOYSA-N 1 1 353.422 3.170 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596156703 506285053 /nfs/dbraw/zinc/28/50/53/506285053.db2.gz WDKPZOHSMQHULZ-KBXCAEBGSA-N 1 1 368.437 3.016 20 5 FGBDMO CC(C)c1ccc(C[C@@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)cc1 ZINC000460978657 501979126 /nfs/dbraw/zinc/97/91/26/501979126.db2.gz JNFQUEPZZNFZDO-SFHVURJKSA-N 1 1 369.465 3.445 20 5 FGBDMO C[N@H+]1CCC[C@@H]2CN(c3c(Br)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000596167920 506289503 /nfs/dbraw/zinc/28/95/03/506289503.db2.gz IUDRSFLQBUQBND-YPMHNXCESA-N 1 1 354.248 3.278 20 5 FGBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000461268999 502057338 /nfs/dbraw/zinc/05/73/38/502057338.db2.gz WCWXRCJIYRCKBR-KRWDZBQOSA-N 1 1 362.474 3.120 20 5 FGBDMO C[C@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[N@H+]1CCCC[C@H]1C ZINC000478700359 502061990 /nfs/dbraw/zinc/06/19/90/502061990.db2.gz IWMXBRFQSRHUOA-HZPDHXFCSA-N 1 1 374.485 3.188 20 5 FGBDMO C[C@H](C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000468464218 502065557 /nfs/dbraw/zinc/06/55/57/502065557.db2.gz WWLMCCYWGDJSPM-LRDDRELGSA-N 1 1 351.422 3.074 20 5 FGBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596172457 506291633 /nfs/dbraw/zinc/29/16/33/506291633.db2.gz LFNCDIPZFYXFJS-UHFFFAOYSA-N 1 1 356.426 3.016 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000468485071 502075795 /nfs/dbraw/zinc/07/57/95/502075795.db2.gz XCYMILWVJJCRKP-SJLPKXTDSA-N 1 1 361.486 3.400 20 5 FGBDMO C[C@@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[N@H+]1C ZINC000475210568 502100170 /nfs/dbraw/zinc/10/01/70/502100170.db2.gz PRFYUWHSLACUQM-MWLCHTKSSA-N 1 1 360.336 3.218 20 5 FGBDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000464818947 502105069 /nfs/dbraw/zinc/10/50/69/502105069.db2.gz ALVIKMAGOXUZPP-APWZRJJASA-N 1 1 363.458 3.367 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+](Cc3ccccc3)[C@H](CO)C3CC3)nc2c1 ZINC000482676920 502149182 /nfs/dbraw/zinc/14/91/82/502149182.db2.gz AVGIOZXKTPYAGG-LJQANCHMSA-N 1 1 366.421 3.244 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+](Cc3ccccc3)[C@H](CO)C3CC3)nc2c1 ZINC000482676920 502149188 /nfs/dbraw/zinc/14/91/88/502149188.db2.gz AVGIOZXKTPYAGG-LJQANCHMSA-N 1 1 366.421 3.244 20 5 FGBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000461652205 502163287 /nfs/dbraw/zinc/16/32/87/502163287.db2.gz YXHZLHHFYRLCPQ-QWHCGFSZSA-N 1 1 371.865 3.252 20 5 FGBDMO Cn1cc(C[NH2+]C2(c3ccc(Br)cc3)CCC2)c([N+](=O)[O-])n1 ZINC000602791154 506300652 /nfs/dbraw/zinc/30/06/52/506300652.db2.gz LPJVBHFCFQYPGE-UHFFFAOYSA-N 1 1 365.231 3.260 20 5 FGBDMO Cc1cc(N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461890919 502226130 /nfs/dbraw/zinc/22/61/30/502226130.db2.gz OSWBNNKSSHWZOC-STQMWFEESA-N 1 1 373.375 3.221 20 5 FGBDMO Cc1cc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461959303 502252709 /nfs/dbraw/zinc/25/27/09/502252709.db2.gz NXIINZHKQHASQK-WBMJQRKESA-N 1 1 373.375 3.079 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000483102221 502272114 /nfs/dbraw/zinc/27/21/14/502272114.db2.gz DRSUWYRAWFOSQC-OAHLLOKOSA-N 1 1 357.385 3.470 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000483102221 502272120 /nfs/dbraw/zinc/27/21/20/502272120.db2.gz DRSUWYRAWFOSQC-OAHLLOKOSA-N 1 1 357.385 3.470 20 5 FGBDMO Cc1cc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000462198480 502346321 /nfs/dbraw/zinc/34/63/21/502346321.db2.gz JGROLRORICEFLL-YJBOKZPZSA-N 1 1 353.422 3.154 20 5 FGBDMO CC[C@@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000602809935 506309742 /nfs/dbraw/zinc/30/97/42/506309742.db2.gz KINZYKQDAAZIOW-SECBINFHSA-N 1 1 363.365 3.316 20 5 FGBDMO Cn1ccnc1[C@@H](NC[C@H]1CC[N@H+]1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000599074294 506310102 /nfs/dbraw/zinc/31/01/02/506310102.db2.gz PLVGCLPPEAPULU-MOPGFXCFSA-N 1 1 369.469 3.024 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000462644541 502519661 /nfs/dbraw/zinc/51/96/61/502519661.db2.gz SZRWSRWXUNMDDC-KDOFPFPSSA-N 1 1 354.410 3.237 20 5 FGBDMO C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)Cc1ccccc1 ZINC000466297603 502530113 /nfs/dbraw/zinc/53/01/13/502530113.db2.gz MBTKJVUHPHUBEP-CYBMUJFWSA-N 1 1 361.829 3.385 20 5 FGBDMO CCOCCC[N@H+]1CC[C@@H](NCc2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000469769916 502539254 /nfs/dbraw/zinc/53/92/54/502539254.db2.gz RNWXPHXSBDYJAC-WMLDXEAASA-N 1 1 369.893 3.475 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000462757967 502559125 /nfs/dbraw/zinc/55/91/25/502559125.db2.gz CFYOJEGGSBYOPJ-XYJFISCASA-N 1 1 361.486 3.400 20 5 FGBDMO COCC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCC[C@H]1C ZINC000488005268 502597379 /nfs/dbraw/zinc/59/73/79/502597379.db2.gz CLUCUJXFBOPVDZ-CJNGLKHVSA-N 1 1 360.414 3.282 20 5 FGBDMO COCC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H]1CCC[C@@H]1C ZINC000488029424 502605661 /nfs/dbraw/zinc/60/56/61/502605661.db2.gz WVUWWWUQULANRZ-WMLDXEAASA-N 1 1 363.458 3.369 20 5 FGBDMO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000480672741 502637917 /nfs/dbraw/zinc/63/79/17/502637917.db2.gz ZXLXVDBQBUIOCI-HOTGVXAUSA-N 1 1 362.474 3.166 20 5 FGBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000462990916 502652629 /nfs/dbraw/zinc/65/26/29/502652629.db2.gz JFGHKYMOYLLNFQ-OALUTQOASA-N 1 1 373.497 3.354 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000602853088 506327181 /nfs/dbraw/zinc/32/71/81/506327181.db2.gz GVHXHOMHQHKGKD-MRXNPFEDSA-N 1 1 354.410 3.116 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000602853088 506327183 /nfs/dbraw/zinc/32/71/83/506327183.db2.gz GVHXHOMHQHKGKD-MRXNPFEDSA-N 1 1 354.410 3.116 20 5 FGBDMO COc1ccc([C@@H](C)[N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC000484628143 502688826 /nfs/dbraw/zinc/68/88/26/502688826.db2.gz GZHHPLWXVXXOEY-CQSZACIVSA-N 1 1 369.421 3.186 20 5 FGBDMO COc1ccc([C@@H](C)[N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC000484628143 502688830 /nfs/dbraw/zinc/68/88/30/502688830.db2.gz GZHHPLWXVXXOEY-CQSZACIVSA-N 1 1 369.421 3.186 20 5 FGBDMO CC[N@@H+](CCc1cccs1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000488359490 502692604 /nfs/dbraw/zinc/69/26/04/502692604.db2.gz MANOIDKTPLGNGM-KRWDZBQOSA-N 1 1 359.451 3.326 20 5 FGBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000470218541 502708198 /nfs/dbraw/zinc/70/81/98/502708198.db2.gz NLJJUWOXBSGLBI-CQSZACIVSA-N 1 1 357.410 3.145 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000602857955 506329619 /nfs/dbraw/zinc/32/96/19/506329619.db2.gz ZKAMUOCWLZLMLD-MRXNPFEDSA-N 1 1 354.410 3.116 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000602857955 506329627 /nfs/dbraw/zinc/32/96/27/506329627.db2.gz ZKAMUOCWLZLMLD-MRXNPFEDSA-N 1 1 354.410 3.116 20 5 FGBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2C[C@@H](C)[C@H](CO)C2)cc1OC ZINC000484716185 502718841 /nfs/dbraw/zinc/71/88/41/502718841.db2.gz PHCNABBYIVHOAZ-FMKPAKJESA-N 1 1 366.458 3.089 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000488468523 502724141 /nfs/dbraw/zinc/72/41/41/502724141.db2.gz PHCUFDQAWJBXFR-ZFWWWQNUSA-N 1 1 359.451 3.297 20 5 FGBDMO CC1(C)CCC[N@@H+](CCNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000470300158 502729680 /nfs/dbraw/zinc/72/96/80/502729680.db2.gz WYVVKIXVVWYRAE-UHFFFAOYSA-N 1 1 371.384 3.048 20 5 FGBDMO C[C@H](c1nnc(-c2cccs2)o1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488977264 502852124 /nfs/dbraw/zinc/85/21/24/502852124.db2.gz IVHXLKSRUPIJNE-LLVKDONJSA-N 1 1 374.426 3.301 20 5 FGBDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000489253415 502911410 /nfs/dbraw/zinc/91/14/10/502911410.db2.gz GYTUSZRSVHUPJU-GOEBONIOSA-N 1 1 363.458 3.120 20 5 FGBDMO COc1cc(C[NH+]2CCC(c3noc(C(C)C)n3)CC2)ccc1[N+](=O)[O-] ZINC000489255188 502912183 /nfs/dbraw/zinc/91/21/83/502912183.db2.gz KDTUNUKMRMYBJX-UHFFFAOYSA-N 1 1 360.414 3.489 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000509488215 502916757 /nfs/dbraw/zinc/91/67/57/502916757.db2.gz JRAUOQSQQSZZLP-CHWSQXEVSA-N 1 1 351.472 3.262 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000509488215 502916762 /nfs/dbraw/zinc/91/67/62/502916762.db2.gz JRAUOQSQQSZZLP-CHWSQXEVSA-N 1 1 351.472 3.262 20 5 FGBDMO CCc1ccc([C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3C)CC[NH2+]2)cc1 ZINC000505566703 502936443 /nfs/dbraw/zinc/93/64/43/502936443.db2.gz RRQLYSYDVDVAKU-IBGZPJMESA-N 1 1 353.422 3.252 20 5 FGBDMO CC[C@H](NC(=O)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000489449336 502961174 /nfs/dbraw/zinc/96/11/74/502961174.db2.gz NXPFVWUJOQQTAH-STEAMIEHSA-N 1 1 374.485 3.418 20 5 FGBDMO CCC[C@@]1(COC)CCC[N@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593027484 506344002 /nfs/dbraw/zinc/34/40/02/506344002.db2.gz RFBBJPAWYWLKNV-SFHVURJKSA-N 1 1 350.415 3.163 20 5 FGBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000599147043 506346296 /nfs/dbraw/zinc/34/62/96/506346296.db2.gz KDJAVJMRKDBQQX-QGZVFWFLSA-N 1 1 360.458 3.143 20 5 FGBDMO CN1CC[N@@H+](CCCNc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1 ZINC000506052267 503037581 /nfs/dbraw/zinc/03/75/81/503037581.db2.gz RWWFRRAWQYTAQK-HXUWFJFHSA-N 1 1 354.454 3.386 20 5 FGBDMO C[N@@H+]1CCN(CCCNc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1 ZINC000506052267 503037583 /nfs/dbraw/zinc/03/75/83/503037583.db2.gz RWWFRRAWQYTAQK-HXUWFJFHSA-N 1 1 354.454 3.386 20 5 FGBDMO C[N@H+]1CCN(CCCNc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1 ZINC000506052267 503037587 /nfs/dbraw/zinc/03/75/87/503037587.db2.gz RWWFRRAWQYTAQK-HXUWFJFHSA-N 1 1 354.454 3.386 20 5 FGBDMO CCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000501947300 503113903 /nfs/dbraw/zinc/11/39/03/503113903.db2.gz NBGOWWYHDJFIRM-ZBFHGGJFSA-N 1 1 356.426 3.221 20 5 FGBDMO CCOCC[NH+]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000506434947 503114550 /nfs/dbraw/zinc/11/45/50/503114550.db2.gz YKIPSJKNYMMOGQ-UHFFFAOYSA-N 1 1 359.426 3.009 20 5 FGBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498177697 503124872 /nfs/dbraw/zinc/12/48/72/503124872.db2.gz BVOQSMKLLVUIHS-QLFBSQMISA-N 1 1 370.453 3.239 20 5 FGBDMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000506602668 503141428 /nfs/dbraw/zinc/14/14/28/503141428.db2.gz XYKKSWLANJKTEM-ZIAGYGMSSA-N 1 1 351.422 3.251 20 5 FGBDMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000506602668 503141431 /nfs/dbraw/zinc/14/14/31/503141431.db2.gz XYKKSWLANJKTEM-ZIAGYGMSSA-N 1 1 351.422 3.251 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@H](C3CC3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000490354386 503160512 /nfs/dbraw/zinc/16/05/12/503160512.db2.gz LKBFFNBZJPULQC-LBPRGKRZSA-N 1 1 356.369 3.479 20 5 FGBDMO CN(C(=O)C[N@@H+]1CCC=C(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000514803614 503196332 /nfs/dbraw/zinc/19/63/32/503196332.db2.gz GIWSJPOMLLASIO-UHFFFAOYSA-N 1 1 351.406 3.347 20 5 FGBDMO CN(C(=O)C[N@H+]1CCC=C(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000514803614 503196338 /nfs/dbraw/zinc/19/63/38/503196338.db2.gz GIWSJPOMLLASIO-UHFFFAOYSA-N 1 1 351.406 3.347 20 5 FGBDMO CC(C)NC(=O)c1ccc(NCCC[N@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000514898449 503222416 /nfs/dbraw/zinc/22/24/16/503222416.db2.gz IQPZTXWVFCYNTB-HNNXBMFYSA-N 1 1 362.474 3.409 20 5 FGBDMO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490829025 503233375 /nfs/dbraw/zinc/23/33/75/503233375.db2.gz SREOMYASCQNBRA-LJQANCHMSA-N 1 1 356.422 3.308 20 5 FGBDMO C[N@@H+](CCCOc1ccc2c(c1)OCO2)CCc1ccccc1[N+](=O)[O-] ZINC000511058892 503244097 /nfs/dbraw/zinc/24/40/97/503244097.db2.gz IRBDHXZJQHXPNN-UHFFFAOYSA-N 1 1 358.394 3.267 20 5 FGBDMO Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511071844 503246947 /nfs/dbraw/zinc/24/69/47/503246947.db2.gz INJQXDKVZGAMAA-KRWDZBQOSA-N 1 1 369.465 3.425 20 5 FGBDMO Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511071844 503246951 /nfs/dbraw/zinc/24/69/51/503246951.db2.gz INJQXDKVZGAMAA-KRWDZBQOSA-N 1 1 369.465 3.425 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000491114656 503274928 /nfs/dbraw/zinc/27/49/28/503274928.db2.gz ACOFJRJVZYNUGW-PKOBYXMFSA-N 1 1 367.449 3.434 20 5 FGBDMO COC(=O)c1c(Cl)c(N[C@@H]2CC[N@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000596337418 506362215 /nfs/dbraw/zinc/36/22/15/506362215.db2.gz WVIUSQSJMQGOIO-SNVBAGLBSA-N 1 1 355.822 3.320 20 5 FGBDMO C[C@H]1CC[N@@H+](C)CCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000498941945 503299470 /nfs/dbraw/zinc/29/94/70/503299470.db2.gz LCJKEQGPTIMQNT-HNNXBMFYSA-N 1 1 353.422 3.356 20 5 FGBDMO Cc1cccc(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000507645098 503337668 /nfs/dbraw/zinc/33/76/68/503337668.db2.gz PBZAJWRVGIDWEX-NVXWUHKLSA-N 1 1 353.422 3.469 20 5 FGBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000511699964 503372394 /nfs/dbraw/zinc/37/23/94/503372394.db2.gz BOCUVGBYPMMBLU-INIZCTEOSA-N 1 1 357.410 3.218 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(Cc2cccc(O)c2)CC1 ZINC000492835332 503387097 /nfs/dbraw/zinc/38/70/97/503387097.db2.gz SWTVECYLPIGCCK-INIZCTEOSA-N 1 1 355.438 3.488 20 5 FGBDMO Cc1ccc([C@@H](C)NC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000492954180 503395883 /nfs/dbraw/zinc/39/58/83/503395883.db2.gz AWSAVZBUUXPQAZ-WBVHZDCISA-N 1 1 374.485 3.338 20 5 FGBDMO NC(=O)c1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000511873656 503405853 /nfs/dbraw/zinc/40/58/53/503405853.db2.gz OXUBERXAGBHMNJ-QRVBRYPASA-N 1 1 365.433 3.462 20 5 FGBDMO CC[N@H+]1C[C@H](C)N(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1C ZINC000499565942 503432611 /nfs/dbraw/zinc/43/26/11/503432611.db2.gz VVNWSLCOXLGZLM-QWRGUYRKSA-N 1 1 372.372 3.143 20 5 FGBDMO COCC[N@@H+](C)CCCC1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000499662449 503451882 /nfs/dbraw/zinc/45/18/82/503451882.db2.gz QFMMPDHYTZSPDO-UHFFFAOYSA-N 1 1 353.438 3.309 20 5 FGBDMO CN(C(=O)C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000516201061 503469938 /nfs/dbraw/zinc/46/99/38/503469938.db2.gz RWVSOYYCJRRFKC-OAHLLOKOSA-N 1 1 357.385 3.186 20 5 FGBDMO CN(C(=O)C[N@H+]1CC[C@@H](c2cccc(F)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000516201061 503469942 /nfs/dbraw/zinc/46/99/42/503469942.db2.gz RWVSOYYCJRRFKC-OAHLLOKOSA-N 1 1 357.385 3.186 20 5 FGBDMO CN(C(=O)C[N@@H+](C)Cc1cccc2[nH]ccc21)c1ccc([N+](=O)[O-])cc1 ZINC000494036261 503478006 /nfs/dbraw/zinc/47/80/06/503478006.db2.gz DGTIPWHOBVMPJX-UHFFFAOYSA-N 1 1 352.394 3.171 20 5 FGBDMO COc1ccc(-c2ccc(C[N@@H+](C)CCc3cnccn3)o2)c([N+](=O)[O-])c1 ZINC000508652095 503537940 /nfs/dbraw/zinc/53/79/40/503537940.db2.gz YKWHWZJLHRXPLI-UHFFFAOYSA-N 1 1 368.393 3.328 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000512470610 503563169 /nfs/dbraw/zinc/56/31/69/503563169.db2.gz ZVDWQFJZKSUVCJ-HOTGVXAUSA-N 1 1 363.458 3.247 20 5 FGBDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000512543059 503580511 /nfs/dbraw/zinc/58/05/11/503580511.db2.gz YUGYMVGQHIFOJO-OAHLLOKOSA-N 1 1 363.458 3.122 20 5 FGBDMO CC[C@@H]1CCCC[N@H+]1CCNc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000500421545 503621203 /nfs/dbraw/zinc/62/12/03/503621203.db2.gz GYTVELMCHBVCFX-MRXNPFEDSA-N 1 1 362.474 3.409 20 5 FGBDMO NC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2Cc2ccccc2F)c([N+](=O)[O-])c1 ZINC000593084668 506382624 /nfs/dbraw/zinc/38/26/24/506382624.db2.gz RTLIEIWFKXVRPR-QGZVFWFLSA-N 1 1 371.412 3.430 20 5 FGBDMO CCOc1ccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1F ZINC000494931563 503638088 /nfs/dbraw/zinc/63/80/88/503638088.db2.gz AZPWOBNYCYLJEO-AWEZNQCLSA-N 1 1 360.389 3.214 20 5 FGBDMO COc1ccc2c(c1)CCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000532950372 503671124 /nfs/dbraw/zinc/67/11/24/503671124.db2.gz ZMJMOGUMJBQEKI-UHFFFAOYSA-N 1 1 369.421 3.380 20 5 FGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)n1 ZINC000533013032 503698314 /nfs/dbraw/zinc/69/83/14/503698314.db2.gz FRGBYONTZFRWNG-CYBMUJFWSA-N 1 1 357.439 3.281 20 5 FGBDMO Cc1ccc([C@H]2CC[N@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)cc1 ZINC000543247966 503698303 /nfs/dbraw/zinc/69/83/03/503698303.db2.gz KTJNSWBDIDZOCK-FXAWDEMLSA-N 1 1 365.433 3.498 20 5 FGBDMO CCc1ccc([C@H]([NH2+][C@@H]2CCC(=O)N(C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543402217 503755004 /nfs/dbraw/zinc/75/50/04/503755004.db2.gz GKVLZCCYOZOJBD-AUUYWEPGSA-N 1 1 357.410 3.050 20 5 FGBDMO CCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)CC1 ZINC000540471639 503781830 /nfs/dbraw/zinc/78/18/30/503781830.db2.gz UDMZSHCMRMEFMF-UHFFFAOYSA-N 1 1 351.472 3.263 20 5 FGBDMO Cc1c(NC(=O)CC[N@@H+](Cc2ccccc2)C[C@H](C)O)cccc1[N+](=O)[O-] ZINC000533295663 503794846 /nfs/dbraw/zinc/79/48/46/503794846.db2.gz HRMXDTRXMVFBJG-HNNXBMFYSA-N 1 1 371.437 3.115 20 5 FGBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000537210579 503843456 /nfs/dbraw/zinc/84/34/56/503843456.db2.gz KNYYGDHEHZGDNU-ZNMIVQPWSA-N 1 1 363.458 3.090 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]2C2CCOCC2)cccc1[N+](=O)[O-] ZINC000540826423 503905603 /nfs/dbraw/zinc/90/56/03/503905603.db2.gz JVCLJVHASSPKEH-GOSISDBHSA-N 1 1 361.442 3.123 20 5 FGBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+](C)[C@H]2CCOC2)cc1OC ZINC000543842533 503911339 /nfs/dbraw/zinc/91/13/39/503911339.db2.gz NWTBALXAOGUTMR-HIFRSBDPSA-N 1 1 352.431 3.249 20 5 FGBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+](C)[C@H]2CCOC2)cc1OC ZINC000543842533 503911342 /nfs/dbraw/zinc/91/13/42/503911342.db2.gz NWTBALXAOGUTMR-HIFRSBDPSA-N 1 1 352.431 3.249 20 5 FGBDMO C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)CC1CCC1 ZINC000518261070 503938011 /nfs/dbraw/zinc/93/80/11/503938011.db2.gz AIXWHPVJKPCARA-UHFFFAOYSA-N 1 1 360.195 3.431 20 5 FGBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000518281771 503942595 /nfs/dbraw/zinc/94/25/95/503942595.db2.gz HAVQWEKNQVHAPR-DYVFJYSZSA-N 1 1 357.385 3.299 20 5 FGBDMO O=[N+]([O-])c1cc2ccccc2nc1N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000530436872 503964174 /nfs/dbraw/zinc/96/41/74/503964174.db2.gz WPTXMDWSJGEUSD-IAGOWNOFSA-N 1 1 356.426 3.198 20 5 FGBDMO C[C@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C)C1 ZINC000541014668 503975464 /nfs/dbraw/zinc/97/54/64/503975464.db2.gz YLATWDJGGWWJMF-VXGBXAGGSA-N 1 1 371.384 3.046 20 5 FGBDMO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc([S@@](C)=O)cc1 ZINC000541118535 504014894 /nfs/dbraw/zinc/01/48/94/504014894.db2.gz XQVXSVQXTIVPEE-JPQMIFPKSA-N 1 1 359.407 3.324 20 5 FGBDMO CC(C)C[C@H]1CCC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000541350468 504101756 /nfs/dbraw/zinc/10/17/56/504101756.db2.gz IWWXCWWERHTETD-OAHLLOKOSA-N 1 1 354.472 3.127 20 5 FGBDMO CC(C)C[C@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000541350468 504101761 /nfs/dbraw/zinc/10/17/61/504101761.db2.gz IWWXCWWERHTETD-OAHLLOKOSA-N 1 1 354.472 3.127 20 5 FGBDMO COc1ccccc1C[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000544608311 504190195 /nfs/dbraw/zinc/19/01/95/504190195.db2.gz TVZKOJJAHZFTDU-UHFFFAOYSA-N 1 1 355.438 3.230 20 5 FGBDMO CCC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000538333986 504211131 /nfs/dbraw/zinc/21/11/31/504211131.db2.gz HSPJDSXFKWEMPZ-GOSISDBHSA-N 1 1 368.437 3.117 20 5 FGBDMO CCC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)CC[N@H+]1Cc1ccccc1 ZINC000538333986 504211135 /nfs/dbraw/zinc/21/11/35/504211135.db2.gz HSPJDSXFKWEMPZ-GOSISDBHSA-N 1 1 368.437 3.117 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC000534869044 504265053 /nfs/dbraw/zinc/26/50/53/504265053.db2.gz LDZVVOVAMJPSEF-OAQYLSRUSA-N 1 1 367.449 3.127 20 5 FGBDMO CCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](C)c1ccccc1OC ZINC000534868311 504265433 /nfs/dbraw/zinc/26/54/33/504265433.db2.gz FWCMKINPNYEULM-HNNXBMFYSA-N 1 1 359.426 3.238 20 5 FGBDMO COC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000538722541 504343623 /nfs/dbraw/zinc/34/36/23/504343623.db2.gz WIZJRBQAUSDNIT-IBGZPJMESA-N 1 1 374.393 3.248 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1OC(F)F ZINC000531656920 504381304 /nfs/dbraw/zinc/38/13/04/504381304.db2.gz XGDNYXSHJDGVQK-UONOGXRCSA-N 1 1 371.384 3.252 20 5 FGBDMO Cc1ccc([C@H]2CCC[N@H+]2C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000542210777 504408123 /nfs/dbraw/zinc/40/81/23/504408123.db2.gz YUNOSCBRYUBYCB-QZTJIDSGSA-N 1 1 356.422 3.480 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(Cc2cccnc2)CC1 ZINC000538943829 504423829 /nfs/dbraw/zinc/42/38/29/504423829.db2.gz SVDIMGBMXHMAJA-OAHLLOKOSA-N 1 1 368.437 3.272 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000542277131 504435179 /nfs/dbraw/zinc/43/51/79/504435179.db2.gz KCWYFYHLDWTCCC-RTBURBONSA-N 1 1 370.449 3.432 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@H+](C)CCc2ccccc2O)cccc1[N+](=O)[O-] ZINC000542323550 504451854 /nfs/dbraw/zinc/45/18/54/504451854.db2.gz YTFWTEDJNIYNMS-AWEZNQCLSA-N 1 1 357.410 3.110 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@@H+](C)CCc2ccccc2O)cccc1[N+](=O)[O-] ZINC000542323550 504451858 /nfs/dbraw/zinc/45/18/58/504451858.db2.gz YTFWTEDJNIYNMS-AWEZNQCLSA-N 1 1 357.410 3.110 20 5 FGBDMO CCOc1ccc([C@H](C)[NH2+][C@@H](CO)c2ccccc2OC)cc1[N+](=O)[O-] ZINC000539085632 504468072 /nfs/dbraw/zinc/46/80/72/504468072.db2.gz QZCUSWQSDZRMRW-BBRMVZONSA-N 1 1 360.410 3.386 20 5 FGBDMO C[C@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[N@H+]1CCCC[C@H]1C ZINC000542539571 504532328 /nfs/dbraw/zinc/53/23/28/504532328.db2.gz UROOXGCJNIWKJH-MCIONIFRSA-N 1 1 351.422 3.217 20 5 FGBDMO C[N@@H+](CCc1cccc(NC(=O)COc2ccccc2[N+](=O)[O-])c1)C1CC1 ZINC000539332311 504532570 /nfs/dbraw/zinc/53/25/70/504532570.db2.gz PNMAJXRDEZDSAL-UHFFFAOYSA-N 1 1 369.421 3.249 20 5 FGBDMO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000532142265 504549448 /nfs/dbraw/zinc/54/94/48/504549448.db2.gz UJPKELJYMJVXNP-KRWDZBQOSA-N 1 1 374.828 3.210 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC[N@H+](C)C2CCCCC2)c1 ZINC000539515925 504596577 /nfs/dbraw/zinc/59/65/77/504596577.db2.gz PIAZGODMJYPGRA-UHFFFAOYSA-N 1 1 363.458 3.053 20 5 FGBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000539526536 504598695 /nfs/dbraw/zinc/59/86/95/504598695.db2.gz XBJJFMPPFOFTHS-MRXNPFEDSA-N 1 1 363.458 3.053 20 5 FGBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000548934895 504626989 /nfs/dbraw/zinc/62/69/89/504626989.db2.gz WFALIIJJAVPQPB-IEBWSBKVSA-N 1 1 359.470 3.250 20 5 FGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000548934895 504626997 /nfs/dbraw/zinc/62/69/97/504626997.db2.gz WFALIIJJAVPQPB-IEBWSBKVSA-N 1 1 359.470 3.250 20 5 FGBDMO CN(C)c1cc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc[nH+]1 ZINC000543150048 504742435 /nfs/dbraw/zinc/74/24/35/504742435.db2.gz ONIITQPFHCIGLV-UHFFFAOYSA-N 1 1 366.830 3.440 20 5 FGBDMO O=C(C[NH+]1CCC(c2ccccc2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000532753548 504752165 /nfs/dbraw/zinc/75/21/65/504752165.db2.gz OOJLDGRVDYUKSH-UHFFFAOYSA-N 1 1 365.433 3.364 20 5 FGBDMO O=C(Nc1cc[nH+]c(N2CCc3ccccc3C2)c1)c1ccc([N+](=O)[O-])o1 ZINC000553259248 504866854 /nfs/dbraw/zinc/86/68/54/504866854.db2.gz GOTOEUCALGJXJN-UHFFFAOYSA-N 1 1 364.361 3.398 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000563245309 505086016 /nfs/dbraw/zinc/08/60/16/505086016.db2.gz OTRDQIXOOAOBRI-TYNCELHUSA-N 1 1 365.861 3.359 20 5 FGBDMO Cc1ccccc1[C@@H](CO)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000566557658 505204993 /nfs/dbraw/zinc/20/49/93/505204993.db2.gz CAZDTOURYMYRML-OAHLLOKOSA-N 1 1 365.227 3.489 20 5 FGBDMO Cc1ccnc(N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1[N+](=O)[O-] ZINC000557736094 505217298 /nfs/dbraw/zinc/21/72/98/505217298.db2.gz HZHZXFSNDODJPB-FQEVSTJZSA-N 1 1 352.438 3.401 20 5 FGBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000560991909 505224524 /nfs/dbraw/zinc/22/45/24/505224524.db2.gz SLHGYQUZDWPZNB-FQEVSTJZSA-N 1 1 367.449 3.260 20 5 FGBDMO Cc1cccc(C)c1OC[C@@H](O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000554845947 505279115 /nfs/dbraw/zinc/27/91/15/505279115.db2.gz IIUXBBSUXFXBOO-IBGZPJMESA-N 1 1 358.438 3.126 20 5 FGBDMO O=C(NCc1c[nH+]c2n1CCCC2)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000551890163 505335617 /nfs/dbraw/zinc/33/56/17/505335617.db2.gz ZWHYXCKIJVNBQT-UHFFFAOYSA-N 1 1 368.315 3.076 20 5 FGBDMO CCC(=O)N1CC[C@H]([NH2+][C@@H](c2ccc(CC)o2)c2ccc([N+](=O)[O-])cc2)C1 ZINC000558334719 505362368 /nfs/dbraw/zinc/36/23/68/505362368.db2.gz WZMUMMXMCJVFIM-MGPUTAFESA-N 1 1 371.437 3.440 20 5 FGBDMO C[C@@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[N@H+](C2CCC2)C1 ZINC000561535299 505371642 /nfs/dbraw/zinc/37/16/42/505371642.db2.gz YRWSJDXUXSXADE-INIZCTEOSA-N 1 1 374.485 3.120 20 5 FGBDMO CCC(CC)(CCO)C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000552047300 505380981 /nfs/dbraw/zinc/38/09/81/505380981.db2.gz HGEAGNRSWXRGBR-KRWDZBQOSA-N 1 1 360.458 3.196 20 5 FGBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@H](C)Cc2ccccc2C)c([N+](=O)[O-])c1 ZINC000567186439 505388653 /nfs/dbraw/zinc/38/86/53/505388653.db2.gz PSONOOGIYNZLHM-OAHLLOKOSA-N 1 1 371.437 3.413 20 5 FGBDMO CCO[C@@H]1C[C@@H]1[NH2+]Cc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000567332807 505432756 /nfs/dbraw/zinc/43/27/56/505432756.db2.gz KIRGQODOXOAXKK-FUHWJXTLSA-N 1 1 372.421 3.449 20 5 FGBDMO C[C@@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@H]1C ZINC000552225747 505433606 /nfs/dbraw/zinc/43/36/06/505433606.db2.gz LRKNJVVZVKNKSW-JTDSTZFVSA-N 1 1 371.485 3.270 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]CCCOC1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000552247454 505440594 /nfs/dbraw/zinc/44/05/94/505440594.db2.gz PMYKNVYOSHIFRS-GOSISDBHSA-N 1 1 358.442 3.357 20 5 FGBDMO CC[C@@H](c1ccccc1OC)[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000561955909 505476762 /nfs/dbraw/zinc/47/67/62/505476762.db2.gz AHMWWGNJEUDASF-APWZRJJASA-N 1 1 374.437 3.426 20 5 FGBDMO C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558736311 505478013 /nfs/dbraw/zinc/47/80/13/505478013.db2.gz LBGSIBMSONYNDX-ZDUSSCGKSA-N 1 1 352.394 3.217 20 5 FGBDMO Cc1ccccc1CCNC(=O)[C@@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558742584 505480426 /nfs/dbraw/zinc/48/04/26/505480426.db2.gz ZDGRYKLKBXCDGR-QGZVFWFLSA-N 1 1 369.465 3.125 20 5 FGBDMO C[C@H]1CCc2ccccc2N1C(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558740505 505480506 /nfs/dbraw/zinc/48/05/06/505480506.db2.gz MMEZYNDXKYPTCH-INIZCTEOSA-N 1 1 367.449 3.437 20 5 FGBDMO C[C@H]1CCc2ccccc2N1C(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558740505 505480511 /nfs/dbraw/zinc/48/05/11/505480511.db2.gz MMEZYNDXKYPTCH-INIZCTEOSA-N 1 1 367.449 3.437 20 5 FGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCCOCCc1ccccc1)CCO2 ZINC000562072688 505510078 /nfs/dbraw/zinc/51/00/78/505510078.db2.gz XDQMWMUUHIVHOR-UHFFFAOYSA-N 1 1 356.422 3.439 20 5 FGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCCOCCc1ccccc1)CCO2 ZINC000562072688 505510082 /nfs/dbraw/zinc/51/00/82/505510082.db2.gz XDQMWMUUHIVHOR-UHFFFAOYSA-N 1 1 356.422 3.439 20 5 FGBDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000596461800 506418800 /nfs/dbraw/zinc/41/88/00/506418800.db2.gz LYXFXTSKABLBLU-INIZCTEOSA-N 1 1 360.845 3.396 20 5 FGBDMO CC[N@@H+]1CCc2nc(NC(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)sc2C1 ZINC000582822656 506438099 /nfs/dbraw/zinc/43/80/99/506438099.db2.gz JARKPFWCFZWTND-LLVKDONJSA-N 1 1 360.439 3.172 20 5 FGBDMO CC[N@H+]1CCc2nc(NC(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)sc2C1 ZINC000582822656 506438105 /nfs/dbraw/zinc/43/81/05/506438105.db2.gz JARKPFWCFZWTND-LLVKDONJSA-N 1 1 360.439 3.172 20 5 FGBDMO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000589178184 506471373 /nfs/dbraw/zinc/47/13/73/506471373.db2.gz DLEXPPRBDZIWHB-SCOADAFUSA-N 1 1 353.426 3.080 20 5 FGBDMO CC1(C)C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccncc1 ZINC000596595222 506479122 /nfs/dbraw/zinc/47/91/22/506479122.db2.gz YUAZGJJPTBFYSM-GOSISDBHSA-N 1 1 354.410 3.402 20 5 FGBDMO C[C@H]1CC(=O)NCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000589205779 506482683 /nfs/dbraw/zinc/48/26/83/506482683.db2.gz IMXBYKCEONNQBP-NSHDSACASA-N 1 1 363.801 3.219 20 5 FGBDMO C[C@H]1CC(=O)NCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000589205779 506482691 /nfs/dbraw/zinc/48/26/91/506482691.db2.gz IMXBYKCEONNQBP-NSHDSACASA-N 1 1 363.801 3.219 20 5 FGBDMO C[C@@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC2(CCC2)O1 ZINC000582963376 506511954 /nfs/dbraw/zinc/51/19/54/506511954.db2.gz YSXXOGSVVHXSRD-CQSZACIVSA-N 1 1 357.410 3.436 20 5 FGBDMO CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589496304 506567639 /nfs/dbraw/zinc/56/76/39/506567639.db2.gz IXPZFYHYUDKXBP-UHFFFAOYSA-N 1 1 358.394 3.412 20 5 FGBDMO CC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589496304 506567643 /nfs/dbraw/zinc/56/76/43/506567643.db2.gz IXPZFYHYUDKXBP-UHFFFAOYSA-N 1 1 358.394 3.412 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)Cc2ccc(OC)c(C)c2)c1 ZINC000589498789 506571028 /nfs/dbraw/zinc/57/10/28/506571028.db2.gz FRGKJMCCEAORGO-UHFFFAOYSA-N 1 1 358.394 3.330 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)Cc2ccc(OC)c(C)c2)c1 ZINC000589498789 506571033 /nfs/dbraw/zinc/57/10/33/506571033.db2.gz FRGKJMCCEAORGO-UHFFFAOYSA-N 1 1 358.394 3.330 20 5 FGBDMO CCS[C@H]1CCCC[N@@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589499993 506571114 /nfs/dbraw/zinc/57/11/14/506571114.db2.gz NWHRARPUVROPGE-HNNXBMFYSA-N 1 1 352.456 3.489 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCCC[C@@H]3[C@@H]3CCCC[C@@H]3O)nc2c1 ZINC000589743991 506640487 /nfs/dbraw/zinc/64/04/87/506640487.db2.gz WBVUPZZOHYQQBT-QGTPRVQTSA-N 1 1 358.442 3.377 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CCc3ccc(O)cc3CC2)cccc1[N+](=O)[O-] ZINC000608866587 506731349 /nfs/dbraw/zinc/73/13/49/506731349.db2.gz ANPIQCVEKJITPG-UHFFFAOYSA-N 1 1 369.421 3.038 20 5 FGBDMO CC(C)[N@@H+](C)CC1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000609133426 506786633 /nfs/dbraw/zinc/78/66/33/506786633.db2.gz BQTHSYUTXSXEKB-UHFFFAOYSA-N 1 1 373.457 3.197 20 5 FGBDMO COc1ccc2c(c1)C[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CC2 ZINC000604435067 506831075 /nfs/dbraw/zinc/83/10/75/506831075.db2.gz YSPNBAHFCZSUKF-UHFFFAOYSA-N 1 1 369.421 3.299 20 5 FGBDMO COc1ccc(-c2ccc(C[N@@H+]3C[C@@H](C)[C@H](O)[C@@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000597206048 506834200 /nfs/dbraw/zinc/83/42/00/506834200.db2.gz PTLAREHPZIIUTE-WURKVNMJSA-N 1 1 360.410 3.312 20 5 FGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(C)([NH+]2CCOCC2)CC1 ZINC000600201466 506840703 /nfs/dbraw/zinc/84/07/03/506840703.db2.gz MUEABLLPQRNWMJ-VKAVYKQESA-N 1 1 359.470 3.185 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CC[C@H]4CC[C@@H](C3)[S@]4=O)o2)c1 ZINC000600209914 506849519 /nfs/dbraw/zinc/84/95/19/506849519.db2.gz XTWRQJPERANIRD-YPBQGGFRSA-N 1 1 360.435 3.340 20 5 FGBDMO COc1ccc(C[N@@H+](C)C2(CO)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000597255972 506865139 /nfs/dbraw/zinc/86/51/39/506865139.db2.gz QRQZTRZXJJETQE-UHFFFAOYSA-N 1 1 372.421 3.139 20 5 FGBDMO Cn1c2ccccc2cc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1=O ZINC000593986436 506865973 /nfs/dbraw/zinc/86/59/73/506865973.db2.gz BAJWVQSGVFTVEO-UHFFFAOYSA-N 1 1 351.406 3.121 20 5 FGBDMO COc1cc(NCc2cccc(C[NH+]3CCOCC3)c2)c([N+](=O)[O-])cc1C ZINC000590574574 506866787 /nfs/dbraw/zinc/86/67/87/506866787.db2.gz KCKYQXAZRMIKIF-UHFFFAOYSA-N 1 1 371.437 3.356 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@H](c4ccccn4)C3)n2)c1 ZINC000590599304 506873976 /nfs/dbraw/zinc/87/39/76/506873976.db2.gz FTSFKBHQZPRKCT-HNNXBMFYSA-N 1 1 365.393 3.419 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@H](c4ccccn4)C3)n2)c1 ZINC000590599304 506873983 /nfs/dbraw/zinc/87/39/83/506873983.db2.gz FTSFKBHQZPRKCT-HNNXBMFYSA-N 1 1 365.393 3.419 20 5 FGBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609442627 506882560 /nfs/dbraw/zinc/88/25/60/506882560.db2.gz LBFFDIWBAZRQRK-MRXNPFEDSA-N 1 1 371.412 3.376 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@]3(CCSC3)C2)c1 ZINC000590662523 506898498 /nfs/dbraw/zinc/89/84/98/506898498.db2.gz DORPOTZPWUOXAB-KRWDZBQOSA-N 1 1 350.440 3.101 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@@]3(CCSC3)C1)OCCO2 ZINC000590662526 506898778 /nfs/dbraw/zinc/89/87/78/506898778.db2.gz DTYBPTAGMJXBFF-QGZVFWFLSA-N 1 1 350.440 3.085 20 5 FGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1N(C)C ZINC000583835601 507000216 /nfs/dbraw/zinc/00/02/16/507000216.db2.gz MDUQKYGMGWOJMR-AWEZNQCLSA-N 1 1 356.426 3.120 20 5 FGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1N(C)C ZINC000583835601 507000218 /nfs/dbraw/zinc/00/02/18/507000218.db2.gz MDUQKYGMGWOJMR-AWEZNQCLSA-N 1 1 356.426 3.120 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594200267 507003468 /nfs/dbraw/zinc/00/34/68/507003468.db2.gz KKFQPLYRHMXGBX-IAOVAPTHSA-N 1 1 363.483 3.209 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594231103 507027662 /nfs/dbraw/zinc/02/76/62/507027662.db2.gz AIUGHQLTALZUOZ-BHYGNILZSA-N 1 1 360.458 3.280 20 5 FGBDMO CC(C)(NC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccccc1[N+](=O)[O-] ZINC000594283618 507061257 /nfs/dbraw/zinc/06/12/57/507061257.db2.gz LQVHGTJHUIWECJ-DOTOQJQBSA-N 1 1 360.458 3.146 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000597709949 507069904 /nfs/dbraw/zinc/06/99/04/507069904.db2.gz DYINTODAUOIQKD-KRWDZBQOSA-N 1 1 351.834 3.115 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597855601 507135917 /nfs/dbraw/zinc/13/59/17/507135917.db2.gz TZSASULUBGAWEO-UONOGXRCSA-N 1 1 365.499 3.312 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000597859625 507137124 /nfs/dbraw/zinc/13/71/24/507137124.db2.gz WNSXMQZJMUPMQC-ZDUSSCGKSA-N 1 1 351.422 3.001 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597858738 507137685 /nfs/dbraw/zinc/13/76/85/507137685.db2.gz OHEKBMHFVYVIFI-CQSZACIVSA-N 1 1 374.466 3.321 20 5 FGBDMO COCC[C@@H]1CCCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000613548316 507148044 /nfs/dbraw/zinc/14/80/44/507148044.db2.gz NFBDMDFIZSYDAF-AWEZNQCLSA-N 1 1 350.415 3.005 20 5 FGBDMO COc1ccc(C)cc1C[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000610272914 507169862 /nfs/dbraw/zinc/16/98/62/507169862.db2.gz XUTSOJKHUZRCIV-UHFFFAOYSA-N 1 1 371.437 3.243 20 5 FGBDMO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CNCC[C@@H]1c1cccc(F)c1 ZINC000594739863 507262923 /nfs/dbraw/zinc/26/29/23/507262923.db2.gz ZUQFOIAPTFDGQV-ZSKSOVMSSA-N 1 1 355.413 3.482 20 5 FGBDMO O=C1CCCCN1CC1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601122075 507268244 /nfs/dbraw/zinc/26/82/44/507268244.db2.gz XEERDWIFKPJJJE-UHFFFAOYSA-N 1 1 368.437 3.372 20 5 FGBDMO COc1ccc2oc(C[NH2+][C@@](C)(CO)c3cccc([N+](=O)[O-])c3)cc2c1 ZINC000601150495 507279196 /nfs/dbraw/zinc/27/91/96/507279196.db2.gz YDRPNWYYPASJGU-IBGZPJMESA-N 1 1 356.378 3.347 20 5 FGBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3C[C@H]4CN(c5ccccc5)C[C@H]4C3)nc2c1 ZINC000610581320 507302890 /nfs/dbraw/zinc/30/28/90/507302890.db2.gz YMTAKGUGISEJMX-GASCZTMLSA-N 1 1 364.405 3.304 20 5 FGBDMO Cc1cccc(C(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000598195203 507307566 /nfs/dbraw/zinc/30/75/66/507307566.db2.gz LZVFXQVTLZWNIO-GOSISDBHSA-N 1 1 367.449 3.292 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](CC(=O)N(C)C)c1ccccc1 ZINC000595018108 507355151 /nfs/dbraw/zinc/35/51/51/507355151.db2.gz QCBDZLQMUZAYDO-KDOFPFPSSA-N 1 1 371.437 3.474 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCN(C2CCCCC2)C1=O ZINC000595021799 507358814 /nfs/dbraw/zinc/35/88/14/507358814.db2.gz GDQPECLUGISZCS-CXAGYDPISA-N 1 1 361.442 3.188 20 5 FGBDMO C[C@@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000595050130 507368538 /nfs/dbraw/zinc/36/85/38/507368538.db2.gz PZGADHQNYBENRS-KBXCAEBGSA-N 1 1 351.410 3.206 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000595054296 507370334 /nfs/dbraw/zinc/37/03/34/507370334.db2.gz ZBMOUDDRCQVJRL-YVEFUNNKSA-N 1 1 373.384 3.199 20 5 FGBDMO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccc([N+](=O)[O-])o1 ZINC000598396268 507406990 /nfs/dbraw/zinc/40/69/90/507406990.db2.gz ISYBORUPASNNNL-MRXNPFEDSA-N 1 1 369.421 3.220 20 5 FGBDMO CC(C)(C)[N@H+]1C[C@@H](C(=O)NCc2cccc([N+](=O)[O-])c2)[C@H](C(F)(F)F)C1 ZINC000584669378 507440635 /nfs/dbraw/zinc/44/06/35/507440635.db2.gz SWLQPQBTXSZGSG-ZIAGYGMSSA-N 1 1 373.375 3.120 20 5 FGBDMO Cc1ccccc1C(=O)NC1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595354716 507469247 /nfs/dbraw/zinc/46/92/47/507469247.db2.gz DGPKWZNHNCRHMP-UHFFFAOYSA-N 1 1 371.412 3.437 20 5 FGBDMO Cc1noc(C[NH+]2CCC(N3c4ccccc4C[C@H]3C)CC2)c1[N+](=O)[O-] ZINC000595361394 507471366 /nfs/dbraw/zinc/47/13/66/507471366.db2.gz UVXYFCPHDSMGID-CYBMUJFWSA-N 1 1 356.426 3.307 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[N@H+](Cc1ccc(CO)cc1)[C@H]1CC[C@H](O)CC1 ZINC000592133027 507499039 /nfs/dbraw/zinc/49/90/39/507499039.db2.gz ROJBGDWKAQIAIE-MXVIHJGJSA-N 1 1 370.449 3.393 20 5 FGBDMO Cc1noc(C[NH2+][C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)c1[N+](=O)[O-] ZINC000595483245 507523350 /nfs/dbraw/zinc/52/33/50/507523350.db2.gz KUWIGGOGBKVODP-UONOGXRCSA-N 1 1 353.325 3.259 20 5 FGBDMO CC1(C)CCC[N@H+]1CCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000584823607 507525945 /nfs/dbraw/zinc/52/59/45/507525945.db2.gz GDCSAHWSBYYZDN-UHFFFAOYSA-N 1 1 363.461 3.286 20 5 FGBDMO COC(=O)c1ccccc1CC1CC[NH+](Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595488796 507527117 /nfs/dbraw/zinc/52/71/17/507527117.db2.gz DBTDUIOIOMMDGX-UHFFFAOYSA-N 1 1 373.409 3.133 20 5 FGBDMO C[N@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 ZINC000611201640 507560026 /nfs/dbraw/zinc/56/00/26/507560026.db2.gz KYZGEZOLOFIBGN-MRXNPFEDSA-N 1 1 368.437 3.031 20 5 FGBDMO Cc1cccc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)c1[N+](=O)[O-] ZINC000585789505 507629464 /nfs/dbraw/zinc/62/94/64/507629464.db2.gz CRBNAUHCIGHWBZ-HNAYVOBHSA-N 1 1 357.458 3.156 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000611350232 507636678 /nfs/dbraw/zinc/63/66/78/507636678.db2.gz FRVCTGHOYZOQRA-OWCLPIDISA-N 1 1 361.442 3.060 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@H](C)[C@@H]2CCO)c([N+](=O)[O-])cc1OC(F)F ZINC000595704786 507640373 /nfs/dbraw/zinc/64/03/73/507640373.db2.gz VNCWFNVNJQGOES-AAEUAGOBSA-N 1 1 374.384 3.188 20 5 FGBDMO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc2c(c1)OCCO2 ZINC000611376591 507647649 /nfs/dbraw/zinc/64/76/49/507647649.db2.gz UQRBKSSMNSMXMQ-LLVKDONJSA-N 1 1 355.350 3.358 20 5 FGBDMO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1F ZINC000595753735 507668833 /nfs/dbraw/zinc/66/88/33/507668833.db2.gz TVCXKFAAHJPDBD-MRXNPFEDSA-N 1 1 373.384 3.179 20 5 FGBDMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1F ZINC000595753735 507668841 /nfs/dbraw/zinc/66/88/41/507668841.db2.gz TVCXKFAAHJPDBD-MRXNPFEDSA-N 1 1 373.384 3.179 20 5 FGBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H]2[C@H](C)O)cc1OC ZINC000595767566 507676171 /nfs/dbraw/zinc/67/61/71/507676171.db2.gz YQNVVSUHOARATF-IJEWVQPXSA-N 1 1 366.458 3.374 20 5 FGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000595784523 507683486 /nfs/dbraw/zinc/68/34/86/507683486.db2.gz AXERGSJDLUTCSW-KBXCAEBGSA-N 1 1 361.442 3.203 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c2c(c1)COCO2 ZINC000595791867 507688787 /nfs/dbraw/zinc/68/87/87/507688787.db2.gz XMLPNJPDKIEGLA-KDOFPFPSSA-N 1 1 362.426 3.242 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CC3(CC=CC3)[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000592525994 507696616 /nfs/dbraw/zinc/69/66/16/507696616.db2.gz DRZLWTZVDBFACD-IBGZPJMESA-N 1 1 374.437 3.323 20 5 FGBDMO CN(c1ccccc1)[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000595825189 507701632 /nfs/dbraw/zinc/70/16/32/507701632.db2.gz COYUILORGRWKAU-INIZCTEOSA-N 1 1 351.410 3.182 20 5 FGBDMO CN(c1ccccc1)[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000595825189 507701639 /nfs/dbraw/zinc/70/16/39/507701639.db2.gz COYUILORGRWKAU-INIZCTEOSA-N 1 1 351.410 3.182 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@@H](Oc4ccccc4)C3)n2)cc1 ZINC000595832217 507706843 /nfs/dbraw/zinc/70/68/43/507706843.db2.gz TVFQWVHNHYNVIV-QGZVFWFLSA-N 1 1 366.377 3.298 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@@H](Oc4ccccc4)C3)n2)cc1 ZINC000595832217 507706850 /nfs/dbraw/zinc/70/68/50/507706850.db2.gz TVFQWVHNHYNVIV-QGZVFWFLSA-N 1 1 366.377 3.298 20 5 FGBDMO COc1cc(CN2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000611516325 507715580 /nfs/dbraw/zinc/71/55/80/507715580.db2.gz BXGIRYNDRRMMHC-GOSISDBHSA-N 1 1 355.438 3.310 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000587982213 507724385 /nfs/dbraw/zinc/72/43/85/507724385.db2.gz VSTJQXNKAJGQJU-ZDUSSCGKSA-N 1 1 369.450 3.310 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C[C@@H]1CCc2ccccc21 ZINC000595881943 507726495 /nfs/dbraw/zinc/72/64/95/507726495.db2.gz XSDAYWNYEXNPFA-HNNXBMFYSA-N 1 1 369.421 3.204 20 5 FGBDMO C[C@H]1C[C@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)CC[N@H+]1Cc1ccccc1 ZINC000587993381 507727083 /nfs/dbraw/zinc/72/70/83/507727083.db2.gz GZRAWWXZETVIKS-WMLDXEAASA-N 1 1 370.453 3.134 20 5 FGBDMO CC[N@H+](CCOc1ccccc1OC)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000595883844 507727378 /nfs/dbraw/zinc/72/73/78/507727378.db2.gz BEMXRKGQBHVFTA-UHFFFAOYSA-N 1 1 370.409 3.381 20 5 FGBDMO CC[N@@H+](CCOc1ccccc1OC)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000595883844 507727384 /nfs/dbraw/zinc/72/73/84/507727384.db2.gz BEMXRKGQBHVFTA-UHFFFAOYSA-N 1 1 370.409 3.381 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3C[C@]45COC[C@@]4(C3)CCCC5)o2)cc1 ZINC000595905013 507736008 /nfs/dbraw/zinc/73/60/08/507736008.db2.gz OBSWGAHANWAUMR-KDURUIRLSA-N 1 1 370.409 3.037 20 5 FGBDMO COc1ccc2cc(C[N@@H+](C)CCn3c(C)ncc3[N+](=O)[O-])ccc2c1 ZINC000611567799 507743863 /nfs/dbraw/zinc/74/38/63/507743863.db2.gz BIKHVCIRPIVNRJ-UHFFFAOYSA-N 1 1 354.410 3.394 20 5 FGBDMO CC(=O)OC1CC[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000093453744 700451827 /nfs/dbraw/zinc/45/18/27/700451827.db2.gz KFZQRGDXBQTOMO-UHFFFAOYSA-N 1 1 361.423 3.246 20 5 FGBDMO C[N@@H+](CCOc1ccc(Cl)cc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136812582 704864864 /nfs/dbraw/zinc/86/48/64/704864864.db2.gz OPBFTMULVOHBGK-KRWDZBQOSA-N 1 1 350.802 3.292 20 5 FGBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000164567613 705330786 /nfs/dbraw/zinc/33/07/86/705330786.db2.gz DCMFUKMGDUDJGS-LBPRGKRZSA-N 1 1 354.838 3.348 20 5 FGBDMO CCS[C@H]1CC[C@@H]([N@H+](C)Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000173487471 705460987 /nfs/dbraw/zinc/46/09/87/705460987.db2.gz RRWMQOJRGOFNJM-YPMHNXCESA-N 1 1 351.428 3.066 20 5 FGBDMO CCS[C@H]1CC[C@@H]([N@@H+](C)Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000173487471 705460990 /nfs/dbraw/zinc/46/09/90/705460990.db2.gz RRWMQOJRGOFNJM-YPMHNXCESA-N 1 1 351.428 3.066 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246004570 713615395 /nfs/dbraw/zinc/61/53/95/713615395.db2.gz KGPVZRWPUNBKSD-SMDDNHRTSA-N 1 1 354.838 3.442 20 5 FGBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000311059593 713801491 /nfs/dbraw/zinc/80/14/91/713801491.db2.gz WQFCEHFEFQQMPW-CYBMUJFWSA-N 1 1 361.829 3.499 20 5 FGBDMO Cc1nc(CO[C@@H]2CC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)cs1 ZINC000374918476 713953640 /nfs/dbraw/zinc/95/36/40/713953640.db2.gz WJFGLWDTKXKMNC-QGZVFWFLSA-N 1 1 363.439 3.030 20 5 FGBDMO COCC[N@H+]1CCC[C@@H](Nc2ccc(C)c(Br)c2[N+](=O)[O-])C1 ZINC000804439268 724517337 /nfs/dbraw/zinc/51/73/37/724517337.db2.gz VTKWXYUNHVUTHT-GFCCVEGCSA-N 1 1 372.263 3.188 20 5 FGBDMO COc1cc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)ncc1[N+](=O)[O-] ZINC001164618951 719073375 /nfs/dbraw/zinc/07/33/75/719073375.db2.gz BSWZQFKQDFYODO-AEFFLSMTSA-N 1 1 368.437 3.099 20 5 FGBDMO COCC[N@H+]1CC[C@@H](Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000730807469 722470897 /nfs/dbraw/zinc/47/08/97/722470897.db2.gz XQCOYWIRPZXPLG-SECBINFHSA-N 1 1 367.755 3.400 20 5 FGBDMO C[C@@H]1C[N@H+](CCCNc2cc(Br)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000741751804 722548733 /nfs/dbraw/zinc/54/87/33/722548733.db2.gz OBHPEEQATCIDJR-TXEJJXNPSA-N 1 1 372.263 3.269 20 5 FGBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000750071487 722753598 /nfs/dbraw/zinc/75/35/98/722753598.db2.gz CIUPQHHFIWSGMT-ZDUSSCGKSA-N 1 1 351.834 3.052 20 5 FGBDMO Cc1[nH+]ccn1CCCOc1cc(F)c(Br)cc1[N+](=O)[O-] ZINC000790519892 723148456 /nfs/dbraw/zinc/14/84/56/723148456.db2.gz OQVYAWVPSQVISO-UHFFFAOYSA-N 1 1 358.167 3.470 20 5 FGBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790704211 723168421 /nfs/dbraw/zinc/16/84/21/723168421.db2.gz CJTMFROXBXJEKU-CYBMUJFWSA-N 1 1 371.840 3.311 20 5 FGBDMO CCC1CCC([N@@H+](CCO)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000792878869 723376762 /nfs/dbraw/zinc/37/67/62/723376762.db2.gz AVYKSTFDZMMVOI-UHFFFAOYSA-N 1 1 351.403 3.266 20 5 FGBDMO CCOc1cc(N2CC[NH+](C[C@H]3CC3(Cl)Cl)CC2)ccc1[N+](=O)[O-] ZINC000796465350 723638697 /nfs/dbraw/zinc/63/86/97/723638697.db2.gz WWAYPUGWTWCSTO-GFCCVEGCSA-N 1 1 374.268 3.309 20 5 FGBDMO C[N@@H+](CCOC(=O)c1cc([N+](=O)[O-])ccc1F)Cc1ccc(F)cc1 ZINC000769083117 723676473 /nfs/dbraw/zinc/67/64/73/723676473.db2.gz NOJRXYAQWYVBOU-UHFFFAOYSA-N 1 1 350.321 3.162 20 5 FGBDMO CC[N@@H+]1CCCC[C@@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1Br ZINC000772145828 723752251 /nfs/dbraw/zinc/75/22/51/723752251.db2.gz ZXOHZDVBXNYQKM-CQSZACIVSA-N 1 1 371.231 3.275 20 5 FGBDMO CC[N@H+]1CCCC[C@@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1Br ZINC000772145828 723752252 /nfs/dbraw/zinc/75/22/52/723752252.db2.gz ZXOHZDVBXNYQKM-CQSZACIVSA-N 1 1 371.231 3.275 20 5 FGBDMO CCC[N@@H+](C)C[C@@H]1CCN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774639461 723913256 /nfs/dbraw/zinc/91/32/56/723913256.db2.gz WQDSYDUUKNLWCI-ZDUSSCGKSA-N 1 1 365.865 3.219 20 5 FGBDMO CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000798964412 723980991 /nfs/dbraw/zinc/98/09/91/723980991.db2.gz PWFUECMTFFUCLV-KRWDZBQOSA-N 1 1 370.833 3.040 20 5 FGBDMO CCOC(=O)[C@@]1(COC)CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000798964412 723980992 /nfs/dbraw/zinc/98/09/92/723980992.db2.gz PWFUECMTFFUCLV-KRWDZBQOSA-N 1 1 370.833 3.040 20 5 FGBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@H](Oc3ccccc3Cl)C2)cc1 ZINC000776591647 724162967 /nfs/dbraw/zinc/16/29/67/724162967.db2.gz RXAWYMKEUUTRCU-RDJZCZTQSA-N 1 1 362.813 3.435 20 5 FGBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)cc1 ZINC000776590358 724163051 /nfs/dbraw/zinc/16/30/51/724163051.db2.gz CTWKSFSGWKVWKC-BRWVUGGUSA-N 1 1 362.451 3.278 20 5 FGBDMO CC(C)(C)[C@@H](O)C[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000808757455 725216348 /nfs/dbraw/zinc/21/63/48/725216348.db2.gz LZRHWJHLLITTJO-AWEZNQCLSA-N 1 1 357.248 3.122 20 5 FGBDMO CC(C)(C)[C@@H](O)C[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000808757455 725216350 /nfs/dbraw/zinc/21/63/50/725216350.db2.gz LZRHWJHLLITTJO-AWEZNQCLSA-N 1 1 357.248 3.122 20 5 FGBDMO C[N@H+](Cc1ccccc1)C[C@H](O)COc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000809215831 725234735 /nfs/dbraw/zinc/23/47/35/725234735.db2.gz XCDLHPZSEDIXHG-AWEZNQCLSA-N 1 1 350.802 3.120 20 5 FGBDMO Cc1ccc(N2CC[C@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])c1Br ZINC000813634047 726900193 /nfs/dbraw/zinc/90/01/93/726900193.db2.gz BNMJFCXOHCZNLV-HNNXBMFYSA-N 1 1 354.248 3.198 20 5 FGBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)cc1 ZINC000815206609 727052221 /nfs/dbraw/zinc/05/22/21/727052221.db2.gz AQIXXZJQHXCFQU-MSOLQXFVSA-N 1 1 362.813 3.435 20 5 FGBDMO C[C@@H]1CN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000820873826 729039460 /nfs/dbraw/zinc/03/94/60/729039460.db2.gz IISBHCVRWPYHEC-ZDUSSCGKSA-N 1 1 365.861 3.124 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)ccc1Br ZINC000824716757 729356476 /nfs/dbraw/zinc/35/64/76/729356476.db2.gz ZQSWTUOERQYQHN-XNRPHZJLSA-N 1 1 369.259 3.483 20 5 FGBDMO C[C@H]1Cc2[nH+]cn(CC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2C[C@@H]1C ZINC000829812553 729513917 /nfs/dbraw/zinc/51/39/17/729513917.db2.gz YUAPQKUSHDPXCE-QWRGUYRKSA-N 1 1 362.817 3.454 20 5 FGBDMO C[C@H]([NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840793151 730174592 /nfs/dbraw/zinc/17/45/92/730174592.db2.gz NRXGQZZXVMZRPC-AUYAEMIRSA-N 1 1 363.439 3.162 20 5 FGBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000843768634 730653045 /nfs/dbraw/zinc/65/30/45/730653045.db2.gz ZMRNEPOPROJDPO-ZDUSSCGKSA-N 1 1 351.422 3.284 20 5 FGBDMO COC(=O)c1nc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])ccc1Cl ZINC000850516428 731367192 /nfs/dbraw/zinc/36/71/92/731367192.db2.gz VJDNIGCWHQYROG-CQSZACIVSA-N 1 1 361.785 3.207 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)c1F ZINC000855161920 731903179 /nfs/dbraw/zinc/90/31/79/731903179.db2.gz FEQMIUBLQFECIC-LLVKDONJSA-N 1 1 355.385 3.032 20 5 FGBDMO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cc([N+](=O)[O-])ccc1Cl ZINC000856476303 732031845 /nfs/dbraw/zinc/03/18/45/732031845.db2.gz TZQPGMKCAYFQMN-ZDUSSCGKSA-N 1 1 351.834 3.100 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000864885179 733111042 /nfs/dbraw/zinc/11/10/42/733111042.db2.gz UCIGMYRYQXTKDC-CQSZACIVSA-N 1 1 351.422 3.047 20 5 FGBDMO CN(CC(F)F)C1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000865590483 733232309 /nfs/dbraw/zinc/23/23/09/733232309.db2.gz ORQAODAPSSOMIR-UHFFFAOYSA-N 1 1 350.369 3.309 20 5 FGBDMO C[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872040392 735580646 /nfs/dbraw/zinc/58/06/46/735580646.db2.gz LGUYBWZZDLHJGB-LBPRGKRZSA-N 1 1 366.414 3.129 20 5 FGBDMO C[C@H]([NH2+]CC1(S(C)(=O)=O)CCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872085947 735586692 /nfs/dbraw/zinc/58/66/92/735586692.db2.gz QXZBISPHNZMADO-LBPRGKRZSA-N 1 1 358.435 3.132 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000874831833 735935959 /nfs/dbraw/zinc/93/59/59/735935959.db2.gz BBOIVNIHHNJZFN-CVEARBPZSA-N 1 1 363.483 3.406 20 5 FGBDMO C[C@@](CO)([NH2+]Cc1cncc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000879273575 736974991 /nfs/dbraw/zinc/97/49/91/736974991.db2.gz VYIPEBMEYRRNNA-HNNXBMFYSA-N 1 1 355.316 3.006 20 5 FGBDMO COc1ccccc1[C@H]1CSCCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000880176559 737131663 /nfs/dbraw/zinc/13/16/63/737131663.db2.gz IHKIVRJRHLKMAN-OAHLLOKOSA-N 1 1 362.455 3.017 20 5 FGBDMO COc1ccccc1[C@H]1CSCCC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000880176559 737131665 /nfs/dbraw/zinc/13/16/65/737131665.db2.gz IHKIVRJRHLKMAN-OAHLLOKOSA-N 1 1 362.455 3.017 20 5 FGBDMO C[C@H]1COCC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000882539566 737465424 /nfs/dbraw/zinc/46/54/24/737465424.db2.gz AUONVLBOUJAXAG-LBPRGKRZSA-N 1 1 355.385 3.222 20 5 FGBDMO COc1c(O)ccc(C[NH+]2CCC(OC3CCCC3)CC2)c1[N+](=O)[O-] ZINC000891865180 739945120 /nfs/dbraw/zinc/94/51/20/739945120.db2.gz ZHUIAUWMFRKYPZ-UHFFFAOYSA-N 1 1 350.415 3.233 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC3(CCOCC3)CC[C@H]2CO)cc1Cl ZINC000897175449 742652067 /nfs/dbraw/zinc/65/20/67/742652067.db2.gz CXXDYJUCGXSXAW-AWEZNQCLSA-N 1 1 354.834 3.002 20 5 FGBDMO O=C(NCC[N@H+]1CC=CCC1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000897621006 742696759 /nfs/dbraw/zinc/69/67/59/742696759.db2.gz OWSUVQOZOPOUJV-UHFFFAOYSA-N 1 1 362.188 3.032 20 5 FGBDMO O=C(NCC[N@@H+]1CC=CCC1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000897621006 742696765 /nfs/dbraw/zinc/69/67/65/742696765.db2.gz OWSUVQOZOPOUJV-UHFFFAOYSA-N 1 1 362.188 3.032 20 5 FGBDMO Cc1c([C@@H](C)[NH2+]Cc2cn(C)nc2Br)cccc1[N+](=O)[O-] ZINC000903188166 743819706 /nfs/dbraw/zinc/81/97/06/743819706.db2.gz AWGONJYDAABVEV-SNVBAGLBSA-N 1 1 353.220 3.250 20 5 FGBDMO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CC[C@@]4(CC(F)(F)C4(F)F)C3)c2c1 ZINC000905676209 744042994 /nfs/dbraw/zinc/04/29/94/744042994.db2.gz AAGYAFWGMZPGLA-CYBMUJFWSA-N 1 1 358.295 3.268 20 5 FGBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CC[C@@]4(CC(F)(F)C4(F)F)C3)c2c1 ZINC000905676209 744042999 /nfs/dbraw/zinc/04/29/99/744042999.db2.gz AAGYAFWGMZPGLA-CYBMUJFWSA-N 1 1 358.295 3.268 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000906787697 744159478 /nfs/dbraw/zinc/15/94/78/744159478.db2.gz BAZOZNYTRRYYMS-SUMWQHHRSA-N 1 1 367.877 3.370 20 5 FGBDMO C[C@@H]1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC[N@H+](C2CCC2)C1 ZINC000908358053 744282196 /nfs/dbraw/zinc/28/21/96/744282196.db2.gz KLNXAGVKWXYSKV-NSHDSACASA-N 1 1 369.824 3.334 20 5 FGBDMO C[N@H+]1CCCC[C@@H](CNC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000913005468 757428134 /nfs/dbraw/zinc/42/81/34/757428134.db2.gz FLGKLCPIJVLLHE-ZDUSSCGKSA-N 1 1 353.850 3.029 20 5 FGBDMO C[N@H+](CCCCc1ccccc1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000917616187 758249641 /nfs/dbraw/zinc/24/96/41/758249641.db2.gz FTASYNYNPVNBEJ-UHFFFAOYSA-N 1 1 367.247 3.466 20 5 FGBDMO C[N@@H+](CCCCc1ccccc1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000917616187 758249650 /nfs/dbraw/zinc/24/96/50/758249650.db2.gz FTASYNYNPVNBEJ-UHFFFAOYSA-N 1 1 367.247 3.466 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000926951869 759855576 /nfs/dbraw/zinc/85/55/76/759855576.db2.gz YXQKBAQBYPUJIE-YUTCNCBUSA-N 1 1 354.332 3.206 20 5 FGBDMO O=[N+]([O-])c1ccc(Br)c(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000931753544 760954082 /nfs/dbraw/zinc/95/40/82/760954082.db2.gz RGGGOKPPIIQHBW-ABAIWWIYSA-N 1 1 355.232 3.358 20 5 FGBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000934950848 761757014 /nfs/dbraw/zinc/75/70/14/761757014.db2.gz MQLMYYOAPMMRJW-BBRMVZONSA-N 1 1 365.861 3.124 20 5 FGBDMO O=C(NCC[N@H+]1CCc2ccccc2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000043342160 208304099 /nfs/dbraw/zinc/30/40/99/208304099.db2.gz ZJAZIGDEUPZERA-UHFFFAOYSA-N 1 1 374.828 3.428 20 5 FGBDMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C2CC2)C[C@@H]1C ZINC000570854946 505596081 /nfs/dbraw/zinc/59/60/81/505596081.db2.gz QQNASNLCYNOGGP-UONOGXRCSA-N 1 1 370.457 3.107 20 5 FGBDMO CC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)[N@H+]1CCc2ccccc2C1 ZINC000029909353 493866444 /nfs/dbraw/zinc/86/64/44/493866444.db2.gz KEHNRGNDIGDGCK-IBGZPJMESA-N 1 1 367.449 3.470 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000076389143 493882269 /nfs/dbraw/zinc/88/22/69/493882269.db2.gz KVWMGBFXUPSTDQ-QGZVFWFLSA-N 1 1 367.449 3.260 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000058898594 493891719 /nfs/dbraw/zinc/89/17/19/493891719.db2.gz VMVQQYMWKZCXKX-AWEZNQCLSA-N 1 1 358.442 3.461 20 5 FGBDMO CC[NH+]1CCN(C[C@@H](C)CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000060380203 493928787 /nfs/dbraw/zinc/92/87/87/493928787.db2.gz SAFZHYCKKACRED-ZDUSSCGKSA-N 1 1 374.407 3.299 20 5 FGBDMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000051855269 493990730 /nfs/dbraw/zinc/99/07/30/493990730.db2.gz UNUSMHWZDBFSJK-OAHLLOKOSA-N 1 1 367.409 3.247 20 5 FGBDMO COc1ccc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000052314991 494017773 /nfs/dbraw/zinc/01/77/73/494017773.db2.gz GXJLCVASRDADQK-MRXNPFEDSA-N 1 1 369.421 3.454 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCCc1ccccc1 ZINC000052802806 494063772 /nfs/dbraw/zinc/06/37/72/494063772.db2.gz ZYNDKCXPLOBFJN-UHFFFAOYSA-N 1 1 371.437 3.497 20 5 FGBDMO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000063587325 494067646 /nfs/dbraw/zinc/06/76/46/494067646.db2.gz MRNAVBXFWGFQFF-KXBFYZLASA-N 1 1 369.421 3.385 20 5 FGBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000063587325 494067650 /nfs/dbraw/zinc/06/76/50/494067650.db2.gz MRNAVBXFWGFQFF-KXBFYZLASA-N 1 1 369.421 3.385 20 5 FGBDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000063771139 494086357 /nfs/dbraw/zinc/08/63/57/494086357.db2.gz YCDKNDJWYJNJOX-UHFFFAOYSA-N 1 1 358.442 3.413 20 5 FGBDMO CC(C)[N@H+](CC(=O)N(C)Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350578 494116458 /nfs/dbraw/zinc/11/64/58/494116458.db2.gz NDGQVTQHRPJVSP-UHFFFAOYSA-N 1 1 355.438 3.464 20 5 FGBDMO CC(C)[N@@H+](CC(=O)N(C)Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350578 494116460 /nfs/dbraw/zinc/11/64/60/494116460.db2.gz NDGQVTQHRPJVSP-UHFFFAOYSA-N 1 1 355.438 3.464 20 5 FGBDMO CC(=O)N1CCC[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000053815468 494169508 /nfs/dbraw/zinc/16/95/08/494169508.db2.gz IVINAUALEAGTHB-UHFFFAOYSA-N 1 1 350.418 3.000 20 5 FGBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1ccccc1C ZINC000042133386 494204234 /nfs/dbraw/zinc/20/42/34/494204234.db2.gz BIUHPZZVCRNERJ-UHFFFAOYSA-N 1 1 357.410 3.372 20 5 FGBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1ccccc1C ZINC000042133386 494204237 /nfs/dbraw/zinc/20/42/37/494204237.db2.gz BIUHPZZVCRNERJ-UHFFFAOYSA-N 1 1 357.410 3.372 20 5 FGBDMO O=C(C[N@@H+]1CC[C@H](COCc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000072760722 494245366 /nfs/dbraw/zinc/24/53/66/494245366.db2.gz CIGWACXETGGWBK-KRWDZBQOSA-N 1 1 369.421 3.072 20 5 FGBDMO O=C(C[N@H+]1CC[C@H](COCc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000072760722 494245372 /nfs/dbraw/zinc/24/53/72/494245372.db2.gz CIGWACXETGGWBK-KRWDZBQOSA-N 1 1 369.421 3.072 20 5 FGBDMO COC(=O)c1cccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000577325943 505706086 /nfs/dbraw/zinc/70/60/86/505706086.db2.gz HAKMUZRNQBSUNE-UHFFFAOYSA-N 1 1 366.320 3.273 20 5 FGBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)CCOc2ccccc2[N+](=O)[O-])c1 ZINC000065881188 494251337 /nfs/dbraw/zinc/25/13/37/494251337.db2.gz ZIDIEJQINGAMOK-UHFFFAOYSA-N 1 1 371.437 3.132 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@H](Nc3nccc(C)c3[N+](=O)[O-])C2)cc(OC)c1 ZINC000088751452 494258518 /nfs/dbraw/zinc/25/85/18/494258518.db2.gz SMQZVBDRWAUWRY-OAHLLOKOSA-N 1 1 372.425 3.002 20 5 FGBDMO CCS[C@@H]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000072837330 494261183 /nfs/dbraw/zinc/26/11/83/494261183.db2.gz YIVUYIANLDZXFK-DZGCQCFKSA-N 1 1 351.472 3.448 20 5 FGBDMO CCS[C@H]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000072838410 494261931 /nfs/dbraw/zinc/26/19/31/494261931.db2.gz KHZRWPKDVNRFBJ-OCCSQVGLSA-N 1 1 367.471 3.148 20 5 FGBDMO Cc1c(NC(=O)CC[N@@H+]2CCOC[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000072895235 494276119 /nfs/dbraw/zinc/27/61/19/494276119.db2.gz NESDWQTZCLYNBZ-IBGZPJMESA-N 1 1 369.421 3.305 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CCOC[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000072895235 494276124 /nfs/dbraw/zinc/27/61/24/494276124.db2.gz NESDWQTZCLYNBZ-IBGZPJMESA-N 1 1 369.421 3.305 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC2(C1)CCOCC2 ZINC000072899044 494278674 /nfs/dbraw/zinc/27/86/74/494278674.db2.gz LHIQWCUYQCDYKJ-LBPRGKRZSA-N 1 1 367.833 3.078 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC2(C1)CCOCC2 ZINC000072899044 494278678 /nfs/dbraw/zinc/27/86/78/494278678.db2.gz LHIQWCUYQCDYKJ-LBPRGKRZSA-N 1 1 367.833 3.078 20 5 FGBDMO CN(C(=O)C[N@H+](CCc1cccc(F)c1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000072978044 494297913 /nfs/dbraw/zinc/29/79/13/494297913.db2.gz YEORSWKYJWNTTO-UHFFFAOYSA-N 1 1 371.412 3.404 20 5 FGBDMO CN(C(=O)C[N@@H+](CCc1cccc(F)c1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000072978044 494297916 /nfs/dbraw/zinc/29/79/16/494297916.db2.gz YEORSWKYJWNTTO-UHFFFAOYSA-N 1 1 371.412 3.404 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@H+](C)Cc2ccc(OC)cc2)c([N+](=O)[O-])c1 ZINC000016554707 494394135 /nfs/dbraw/zinc/39/41/35/494394135.db2.gz GEHSOXLFKPDYCM-UHFFFAOYSA-N 1 1 373.409 3.073 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(OC)cc2)c([N+](=O)[O-])c1 ZINC000016554707 494394138 /nfs/dbraw/zinc/39/41/38/494394138.db2.gz GEHSOXLFKPDYCM-UHFFFAOYSA-N 1 1 373.409 3.073 20 5 FGBDMO CCOc1ccc(C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000016562554 494394286 /nfs/dbraw/zinc/39/42/86/494394286.db2.gz UPLOEDSJPXEQNT-UHFFFAOYSA-N 1 1 373.409 3.073 20 5 FGBDMO CCOc1ccc(C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000016562554 494394288 /nfs/dbraw/zinc/39/42/88/494394288.db2.gz UPLOEDSJPXEQNT-UHFFFAOYSA-N 1 1 373.409 3.073 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000073900314 494445081 /nfs/dbraw/zinc/44/50/81/494445081.db2.gz WMRDRHFQNLNSEF-IBGZPJMESA-N 1 1 368.437 3.011 20 5 FGBDMO O=C(NCc1ccccc1[N+](=O)[O-])N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000045623722 494445609 /nfs/dbraw/zinc/44/56/09/494445609.db2.gz ADMYYFCEUHHLRN-UHFFFAOYSA-N 1 1 368.437 3.012 20 5 FGBDMO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)Nc1cccc([N+](=O)[O-])c1 ZINC000067012645 494454919 /nfs/dbraw/zinc/45/49/19/494454919.db2.gz XUJHZQDMOCQONO-QGZVFWFLSA-N 1 1 368.437 3.281 20 5 FGBDMO Cc1ccc([C@@H](C)NCc2ccnc(OCC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000090936933 494504587 /nfs/dbraw/zinc/50/45/87/494504587.db2.gz PGVYCYBLCXNULD-OAHLLOKOSA-N 1 1 358.442 3.089 20 5 FGBDMO CCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1ccccc1 ZINC000021918618 494510558 /nfs/dbraw/zinc/51/05/58/494510558.db2.gz WNTVYWQYHWOCQH-UHFFFAOYSA-N 1 1 357.410 3.454 20 5 FGBDMO CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000074447763 494539468 /nfs/dbraw/zinc/53/94/68/494539468.db2.gz MRGVUCACTSGQLR-IBGZPJMESA-N 1 1 353.422 3.331 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1CN1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000022983106 494544700 /nfs/dbraw/zinc/54/47/00/494544700.db2.gz BAXIVVXYTXRUQZ-UHFFFAOYSA-N 1 1 373.428 3.450 20 5 FGBDMO CN(C(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000074808333 494606382 /nfs/dbraw/zinc/60/63/82/494606382.db2.gz PEFAVORSAKSZTQ-QGZVFWFLSA-N 1 1 353.422 3.331 20 5 FGBDMO CCc1cc(N[C@@H]2CC[N@H+](C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000067711404 494620915 /nfs/dbraw/zinc/62/09/15/494620915.db2.gz SMHJEBHGFSQXSF-OAHLLOKOSA-N 1 1 353.426 3.263 20 5 FGBDMO CCC[C@H]([NH2+]C[C@@H](C)CN1CCN(CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000121260301 494670971 /nfs/dbraw/zinc/67/09/71/494670971.db2.gz WRBFWKWDSVBQIG-XLIONFOSSA-N 1 1 362.518 3.299 20 5 FGBDMO C[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000108342653 494685880 /nfs/dbraw/zinc/68/58/80/494685880.db2.gz IRGHVYGJMSOKAZ-OAHLLOKOSA-N 1 1 369.421 3.459 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCOC3(CCOCC3)C2)o1 ZINC000091895237 494717216 /nfs/dbraw/zinc/71/72/16/494717216.db2.gz LKAGQZISUQDCMG-UHFFFAOYSA-N 1 1 358.394 3.236 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCOC3(CCOCC3)C2)o1 ZINC000091895237 494717221 /nfs/dbraw/zinc/71/72/21/494717221.db2.gz LKAGQZISUQDCMG-UHFFFAOYSA-N 1 1 358.394 3.236 20 5 FGBDMO COCc1cc([N+](=O)[O-])ccc1N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000080640677 494752075 /nfs/dbraw/zinc/75/20/75/494752075.db2.gz DBGLFUABWURNQD-HNNXBMFYSA-N 1 1 356.426 3.019 20 5 FGBDMO Cc1cccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000057475841 494760115 /nfs/dbraw/zinc/76/01/15/494760115.db2.gz FHOUQCKISJZJSI-INIZCTEOSA-N 1 1 357.410 3.453 20 5 FGBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCc2ccccc2C1 ZINC000025633625 494764494 /nfs/dbraw/zinc/76/44/94/494764494.db2.gz ZHMXOJQVQAZUOX-ZDUSSCGKSA-N 1 1 373.840 3.425 20 5 FGBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)c1 ZINC000126524110 494779443 /nfs/dbraw/zinc/77/94/43/494779443.db2.gz GCCDPOXIXWBMQD-UHFFFAOYSA-N 1 1 370.453 3.088 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1ccc(C)cc1 ZINC000026224414 494810639 /nfs/dbraw/zinc/81/06/39/494810639.db2.gz BPDRVEYDQRYWRG-UHFFFAOYSA-N 1 1 357.410 3.372 20 5 FGBDMO O=C1[C@@H]([NH+]2CCC(OC3CCCC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000109131533 494836316 /nfs/dbraw/zinc/83/63/16/494836316.db2.gz STRSASZJQYFPKQ-IBGZPJMESA-N 1 1 373.453 3.124 20 5 FGBDMO CC(C)C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCCc2cccnc21 ZINC000126947140 494867157 /nfs/dbraw/zinc/86/71/57/494867157.db2.gz UTVFEPMNYHRVCO-GOSISDBHSA-N 1 1 370.453 3.187 20 5 FGBDMO COc1cc(C[N@@H+](C)CC(C)(C)O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000093414749 494889180 /nfs/dbraw/zinc/88/91/80/494889180.db2.gz XDJSMBXJHKEUCN-UHFFFAOYSA-N 1 1 374.437 3.385 20 5 FGBDMO COc1ccc(C[N@@H+](C)CC[C@@H](C)O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000093481914 494896491 /nfs/dbraw/zinc/89/64/91/494896491.db2.gz CBVBBQZAMKAGEP-OAHLLOKOSA-N 1 1 374.437 3.385 20 5 FGBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000117337055 494911903 /nfs/dbraw/zinc/91/19/03/494911903.db2.gz RNDHFBINSZRSJN-INIZCTEOSA-N 1 1 367.405 3.382 20 5 FGBDMO C[C@@H]1C[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)C[N@H+]1Cc1ccccc1 ZINC000127323708 494928604 /nfs/dbraw/zinc/92/86/04/494928604.db2.gz FZWATVZIXJDFGY-CRAIPNDOSA-N 1 1 368.437 3.057 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCc2ccsc2C1 ZINC000132935919 494945169 /nfs/dbraw/zinc/94/51/69/494945169.db2.gz ATSSITCZDJRLSE-UHFFFAOYSA-N 1 1 361.423 3.052 20 5 FGBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)Cc1ccccc1 ZINC000110352563 494972930 /nfs/dbraw/zinc/97/29/30/494972930.db2.gz JSONGHRRGVCOKQ-CYBMUJFWSA-N 1 1 361.829 3.499 20 5 FGBDMO CCc1ccc(-c2nc([C@H]3C[N@H+]4CCC[C@]4(C)CO3)no2)cc1[N+](=O)[O-] ZINC000568736551 505766005 /nfs/dbraw/zinc/76/60/05/505766005.db2.gz SHIPAHNQUPZDBV-CRAIPNDOSA-N 1 1 358.398 3.133 20 5 FGBDMO C[C@@H]1CCC[N@H+]1C1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000134692917 495188045 /nfs/dbraw/zinc/18/80/45/495188045.db2.gz HBERLDWGCVXVTF-CQSZACIVSA-N 1 1 371.441 3.094 20 5 FGBDMO C[N@H+](CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)Cc1ccccc1 ZINC000129533849 495258528 /nfs/dbraw/zinc/25/85/28/495258528.db2.gz HKSONBLENRKBHG-UHFFFAOYSA-N 1 1 353.422 3.218 20 5 FGBDMO C[N@@H+](CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)Cc1ccccc1 ZINC000129533849 495258533 /nfs/dbraw/zinc/25/85/33/495258533.db2.gz HKSONBLENRKBHG-UHFFFAOYSA-N 1 1 353.422 3.218 20 5 FGBDMO CN(C(=O)C[N@@H+]1CCC[C@H]1COc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000112985105 495262890 /nfs/dbraw/zinc/26/28/90/495262890.db2.gz YWBGHGWTCMSWJF-SFHVURJKSA-N 1 1 369.421 3.101 20 5 FGBDMO CN(C(=O)C[N@H+]1CCC[C@H]1COc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000112985105 495262893 /nfs/dbraw/zinc/26/28/93/495262893.db2.gz YWBGHGWTCMSWJF-SFHVURJKSA-N 1 1 369.421 3.101 20 5 FGBDMO CCC(=O)N1CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000124297956 495265228 /nfs/dbraw/zinc/26/52/28/495265228.db2.gz CXHLZCBDLAXOOK-UHFFFAOYSA-N 1 1 357.410 3.299 20 5 FGBDMO CCOC(=O)[C@H]1CCCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104663477 495295660 /nfs/dbraw/zinc/29/56/60/495295660.db2.gz SZBIRCCGAGXXQT-MRXNPFEDSA-N 1 1 373.409 3.210 20 5 FGBDMO CCOC(=O)[C@H]1CCCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104663477 495295664 /nfs/dbraw/zinc/29/56/64/495295664.db2.gz SZBIRCCGAGXXQT-MRXNPFEDSA-N 1 1 373.409 3.210 20 5 FGBDMO COc1ccccc1CC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000104709541 495299313 /nfs/dbraw/zinc/29/93/13/495299313.db2.gz WMZIKHPRRZKWMO-HNNXBMFYSA-N 1 1 371.437 3.413 20 5 FGBDMO Cn1cc(Cl)cc1C[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000120169482 495320211 /nfs/dbraw/zinc/32/02/11/495320211.db2.gz VATWBGVPRDEOPU-UHFFFAOYSA-N 1 1 350.806 3.047 20 5 FGBDMO O=C(C[N@H+](CCc1cccc(F)c1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000113940624 495338287 /nfs/dbraw/zinc/33/82/87/495338287.db2.gz DMVDEISBKWXULB-UHFFFAOYSA-N 1 1 357.385 3.380 20 5 FGBDMO O=C(C[N@@H+](CCc1cccc(F)c1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000113940624 495338291 /nfs/dbraw/zinc/33/82/91/495338291.db2.gz DMVDEISBKWXULB-UHFFFAOYSA-N 1 1 357.385 3.380 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cn1 ZINC000136549958 495386453 /nfs/dbraw/zinc/38/64/53/495386453.db2.gz GUECNMHCNIWQBN-UHFFFAOYSA-N 1 1 371.784 3.067 20 5 FGBDMO O=[N+]([O-])c1ccccc1NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000106071939 495409694 /nfs/dbraw/zinc/40/96/94/495409694.db2.gz BTPVSFWJXWQQBU-UHFFFAOYSA-N 1 1 354.454 3.215 20 5 FGBDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000130636450 495422526 /nfs/dbraw/zinc/42/25/26/495422526.db2.gz NGIVTIDAOQIHRQ-HNNXBMFYSA-N 1 1 368.397 3.322 20 5 FGBDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000130636450 495422529 /nfs/dbraw/zinc/42/25/29/495422529.db2.gz NGIVTIDAOQIHRQ-HNNXBMFYSA-N 1 1 368.397 3.322 20 5 FGBDMO Cn1cc([C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3C(F)(F)F)C2)cn1 ZINC000120682058 495433701 /nfs/dbraw/zinc/43/37/01/495433701.db2.gz UAPCOBHZMSFWRR-NSHDSACASA-N 1 1 354.332 3.337 20 5 FGBDMO Cc1nn(C)c2ncc(C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc12 ZINC000130722111 495435569 /nfs/dbraw/zinc/43/55/69/495435569.db2.gz IPYWPMNOLAVHMY-UHFFFAOYSA-N 1 1 351.410 3.350 20 5 FGBDMO Cc1nn(C)c2ncc(C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc12 ZINC000130722111 495435575 /nfs/dbraw/zinc/43/55/75/495435575.db2.gz IPYWPMNOLAVHMY-UHFFFAOYSA-N 1 1 351.410 3.350 20 5 FGBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+](C)C(C)C ZINC000130767906 495442421 /nfs/dbraw/zinc/44/24/21/495442421.db2.gz AAPPLHYGYBOESW-UHFFFAOYSA-N 1 1 353.488 3.413 20 5 FGBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000137574541 495445334 /nfs/dbraw/zinc/44/53/34/495445334.db2.gz ABGJOFQVZXEDKT-CYBMUJFWSA-N 1 1 351.472 3.024 20 5 FGBDMO C[C@H]1CCC[N@H+]1C1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000125455033 495447212 /nfs/dbraw/zinc/44/72/12/495447212.db2.gz NPKRJHQZBPHFDE-AWEZNQCLSA-N 1 1 372.469 3.258 20 5 FGBDMO Cc1nccn1CCC[N@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000130860244 495457457 /nfs/dbraw/zinc/45/74/57/495457457.db2.gz WZPSQGLPLSRBDQ-CYBMUJFWSA-N 1 1 370.413 3.233 20 5 FGBDMO CCOc1ccccc1NC(=O)CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000138299994 495458743 /nfs/dbraw/zinc/45/87/43/495458743.db2.gz LDIXYZOHSOAWNY-UHFFFAOYSA-N 1 1 369.421 3.380 20 5 FGBDMO CCOc1ccccc1NC(=O)CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000138299994 495458745 /nfs/dbraw/zinc/45/87/45/495458745.db2.gz LDIXYZOHSOAWNY-UHFFFAOYSA-N 1 1 369.421 3.380 20 5 FGBDMO C[C@@H](CN1CCN(C)CC1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000106486666 495458770 /nfs/dbraw/zinc/45/87/70/495458770.db2.gz OXGINQXKKCGFMK-HNNXBMFYSA-N 1 1 374.510 3.049 20 5 FGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)COc1ccc(Cl)cc1)CC2 ZINC000131303270 495518727 /nfs/dbraw/zinc/51/87/27/495518727.db2.gz MPCBQCMCQSKJPS-KRWDZBQOSA-N 1 1 362.813 3.046 20 5 FGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)COc1ccc(Cl)cc1)CC2 ZINC000131303270 495518731 /nfs/dbraw/zinc/51/87/31/495518731.db2.gz MPCBQCMCQSKJPS-KRWDZBQOSA-N 1 1 362.813 3.046 20 5 FGBDMO Cc1sc(C(=O)NCc2ccccc2-n2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000143211142 495531902 /nfs/dbraw/zinc/53/19/02/495531902.db2.gz OXNZRYAVSVNBNJ-UHFFFAOYSA-N 1 1 356.407 3.389 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000185348191 495541418 /nfs/dbraw/zinc/54/14/18/495541418.db2.gz SXUUJYWROJRIND-HXUWFJFHSA-N 1 1 367.449 3.164 20 5 FGBDMO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)NCC1CCCC1 ZINC000182394201 495547115 /nfs/dbraw/zinc/54/71/15/495547115.db2.gz OKIHRFIBIPXRFT-UHFFFAOYSA-N 1 1 353.850 3.423 20 5 FGBDMO COCCO[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000179334493 495547563 /nfs/dbraw/zinc/54/75/63/495547563.db2.gz UBIPGMKCZITQRS-KRWDZBQOSA-N 1 1 352.431 3.009 20 5 FGBDMO COCCO[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000179334493 495547566 /nfs/dbraw/zinc/54/75/66/495547566.db2.gz UBIPGMKCZITQRS-KRWDZBQOSA-N 1 1 352.431 3.009 20 5 FGBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]2c2cccc(Br)c2)n1 ZINC000176213149 495547926 /nfs/dbraw/zinc/54/79/26/495547926.db2.gz CBCDMFRVHFIRPX-AWEZNQCLSA-N 1 1 365.231 3.391 20 5 FGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]2c2cccc(Br)c2)n1 ZINC000176213149 495547931 /nfs/dbraw/zinc/54/79/31/495547931.db2.gz CBCDMFRVHFIRPX-AWEZNQCLSA-N 1 1 365.231 3.391 20 5 FGBDMO Cc1nc(C[NH+]2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cs1 ZINC000170680501 495560576 /nfs/dbraw/zinc/56/05/76/495560576.db2.gz OXLKBPAMWVNJIS-UHFFFAOYSA-N 1 1 360.439 3.210 20 5 FGBDMO C[N@H+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC000176245007 495561755 /nfs/dbraw/zinc/56/17/55/495561755.db2.gz YHVABTJXZPSTJV-UHFFFAOYSA-N 1 1 351.834 3.339 20 5 FGBDMO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1nc(Cc2ccccc2)no1 ZINC000185402341 495564626 /nfs/dbraw/zinc/56/46/26/495564626.db2.gz LRRXZTGHRIVWCU-CQSZACIVSA-N 1 1 368.393 3.298 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@@H](Nc4ccccc4)C3)n2)c1 ZINC000170688544 495565752 /nfs/dbraw/zinc/56/57/52/495565752.db2.gz PTHXOJYGTCOIGF-MRXNPFEDSA-N 1 1 365.393 3.331 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@@H](Nc4ccccc4)C3)n2)c1 ZINC000170688544 495565758 /nfs/dbraw/zinc/56/57/58/495565758.db2.gz PTHXOJYGTCOIGF-MRXNPFEDSA-N 1 1 365.393 3.331 20 5 FGBDMO C[C@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000173521080 495571353 /nfs/dbraw/zinc/57/13/53/495571353.db2.gz HHAQEHOMKZYWHV-AWEZNQCLSA-N 1 1 359.451 3.393 20 5 FGBDMO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC[N@@H+]1Cc1ccccc1 ZINC000173522970 495572410 /nfs/dbraw/zinc/57/24/10/495572410.db2.gz ZXOFREYFZAAPKX-CQSZACIVSA-N 1 1 359.451 3.393 20 5 FGBDMO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC[N@H+]1Cc1ccccc1 ZINC000173522970 495572413 /nfs/dbraw/zinc/57/24/13/495572413.db2.gz ZXOFREYFZAAPKX-CQSZACIVSA-N 1 1 359.451 3.393 20 5 FGBDMO C[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC1 ZINC000154399455 495605469 /nfs/dbraw/zinc/60/54/69/495605469.db2.gz OWMSINVHIFENEE-UHFFFAOYSA-N 1 1 363.483 3.407 20 5 FGBDMO C[C@H](C(=O)NCC[N@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000182544868 495606964 /nfs/dbraw/zinc/60/69/64/495606964.db2.gz VHZLNVZIEOWPNQ-AWEZNQCLSA-N 1 1 371.412 3.012 20 5 FGBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000173608046 495612315 /nfs/dbraw/zinc/61/23/15/495612315.db2.gz GUOKTBSHBCJPJC-HNNXBMFYSA-N 1 1 371.437 3.244 20 5 FGBDMO COc1ccc(OCC[N@@H+]2CCc3c(cccc3OC)C2)c([N+](=O)[O-])c1 ZINC000182696625 495666972 /nfs/dbraw/zinc/66/69/72/495666972.db2.gz MIJRBYOXAPTYRN-UHFFFAOYSA-N 1 1 358.394 3.049 20 5 FGBDMO COc1ccc(OCC[N@H+]2CCc3c(cccc3OC)C2)c([N+](=O)[O-])c1 ZINC000182696625 495666977 /nfs/dbraw/zinc/66/69/77/495666977.db2.gz MIJRBYOXAPTYRN-UHFFFAOYSA-N 1 1 358.394 3.049 20 5 FGBDMO C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185696357 495684162 /nfs/dbraw/zinc/68/41/62/495684162.db2.gz ICDQYBPEKTVMFC-ZIAGYGMSSA-N 1 1 358.442 3.479 20 5 FGBDMO C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccc(F)c1F ZINC000159461260 495736702 /nfs/dbraw/zinc/73/67/02/495736702.db2.gz SASYDLDNKRJMAB-MEDUHNTESA-N 1 1 361.348 3.329 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000182919994 495757869 /nfs/dbraw/zinc/75/78/69/495757869.db2.gz OUZBJPOZVGGQHN-QMTMVMCOSA-N 1 1 357.454 3.440 20 5 FGBDMO Cn1ccnc1[C@@H](NC[C@H]1CCCC[N@H+]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000577878059 505810026 /nfs/dbraw/zinc/81/00/26/505810026.db2.gz HXBFRZSRQRLBSR-MOPGFXCFSA-N 1 1 369.469 3.024 20 5 FGBDMO O=C(CC[N@H+]1Cc2ccccc2C2(CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000186231414 495906380 /nfs/dbraw/zinc/90/63/80/495906380.db2.gz OAXHXDQVSVLVBX-UHFFFAOYSA-N 1 1 351.406 3.471 20 5 FGBDMO Cc1nc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)sc1C ZINC000174433812 495958095 /nfs/dbraw/zinc/95/80/95/495958095.db2.gz BLJDGYBMRFXAAS-UHFFFAOYSA-N 1 1 357.439 3.358 20 5 FGBDMO CC[C@@H]1C[N@H+](C)CCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000580702437 505818147 /nfs/dbraw/zinc/81/81/47/505818147.db2.gz QVEZNYONRVSKHA-QGZVFWFLSA-N 1 1 353.422 3.356 20 5 FGBDMO CC[C@@H]1C[N@@H+](C)CCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000580702437 505818152 /nfs/dbraw/zinc/81/81/52/505818152.db2.gz QVEZNYONRVSKHA-QGZVFWFLSA-N 1 1 353.422 3.356 20 5 FGBDMO C[C@@H](C(=O)N1CC[NH+](CCc2cccs2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000577915369 505816635 /nfs/dbraw/zinc/81/66/35/505816635.db2.gz FJROKCKYURLGPH-OAHLLOKOSA-N 1 1 373.478 3.147 20 5 FGBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000171776283 496032873 /nfs/dbraw/zinc/03/28/73/496032873.db2.gz SMXIFUUXEGYTIC-GOSISDBHSA-N 1 1 362.474 3.389 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000183607463 496046671 /nfs/dbraw/zinc/04/66/71/496046671.db2.gz YDKBCISGVIBOME-CABCVRRESA-N 1 1 361.446 3.108 20 5 FGBDMO C[C@@H]1C[N@@H+](CCC2CCN(Cc3ccccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000177482549 496079412 /nfs/dbraw/zinc/07/94/12/496079412.db2.gz JYHVONDWYXSJHV-CALCHBBNSA-N 1 1 361.486 3.306 20 5 FGBDMO C[C@@H]1C[N@H+](CCC2CCN(Cc3ccccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000177482549 496079415 /nfs/dbraw/zinc/07/94/15/496079415.db2.gz JYHVONDWYXSJHV-CALCHBBNSA-N 1 1 361.486 3.306 20 5 FGBDMO CCNC(=O)C[C@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000571826175 505822700 /nfs/dbraw/zinc/82/27/00/505822700.db2.gz KFLYCFVYYVLWGZ-MRXNPFEDSA-N 1 1 363.458 3.263 20 5 FGBDMO O=[N+]([O-])c1ccc(C[NH2+]CC2(N3CCCCC3)CCOCC2)c(Cl)c1 ZINC000183741243 496100748 /nfs/dbraw/zinc/10/07/48/496100748.db2.gz DGYDNPZCPSTLBC-UHFFFAOYSA-N 1 1 367.877 3.373 20 5 FGBDMO Cn1cc(C[N@@H+](C)CCc2ccncc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000183758064 496104972 /nfs/dbraw/zinc/10/49/72/496104972.db2.gz ZWJGGNZOSWMELC-UHFFFAOYSA-N 1 1 351.410 3.065 20 5 FGBDMO C[C@H](C(=O)N1CC[N@H+](C)Cc2ccccc21)c1ccc([N+](=O)[O-])cc1F ZINC000183770744 496110822 /nfs/dbraw/zinc/11/08/22/496110822.db2.gz RYJJUXKGUOFOMT-ZDUSSCGKSA-N 1 1 357.385 3.316 20 5 FGBDMO C[C@H](C(=O)N1CC[N@@H+](C)Cc2ccccc21)c1ccc([N+](=O)[O-])cc1F ZINC000183770744 496110828 /nfs/dbraw/zinc/11/08/28/496110828.db2.gz RYJJUXKGUOFOMT-ZDUSSCGKSA-N 1 1 357.385 3.316 20 5 FGBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)c1 ZINC000174862277 496137535 /nfs/dbraw/zinc/13/75/35/496137535.db2.gz HCZXPFZUJFNDLK-MRXNPFEDSA-N 1 1 366.425 3.061 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000161307404 496148818 /nfs/dbraw/zinc/14/88/18/496148818.db2.gz CGTVCAPUSHAPEW-BBRMVZONSA-N 1 1 363.483 3.263 20 5 FGBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000174916632 496164072 /nfs/dbraw/zinc/16/40/72/496164072.db2.gz GCWWVZFTMURGEY-LJQANCHMSA-N 1 1 367.449 3.118 20 5 FGBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000569006896 505828498 /nfs/dbraw/zinc/82/84/98/505828498.db2.gz PAWCAXVHLOBHFX-NSHDSACASA-N 1 1 359.348 3.074 20 5 FGBDMO C[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000152643079 496212177 /nfs/dbraw/zinc/21/21/77/496212177.db2.gz WLQBEWIJUCHHIV-GFCCVEGCSA-N 1 1 351.834 3.337 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000156433644 496244770 /nfs/dbraw/zinc/24/47/70/496244770.db2.gz VCBNABFCPZEBHW-RDTXWAMCSA-N 1 1 371.441 3.011 20 5 FGBDMO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000172424778 496293697 /nfs/dbraw/zinc/29/36/97/496293697.db2.gz QPPIMVMGJRJQFN-QGZVFWFLSA-N 1 1 365.433 3.396 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)N2CC[N@@H+](C)C3(CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000574700705 505835283 /nfs/dbraw/zinc/83/52/83/505835283.db2.gz HLOIQCRZERDYOV-MRXNPFEDSA-N 1 1 374.485 3.181 20 5 FGBDMO COc1cc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c([N+](=O)[O-])cc1F ZINC000184235878 496298325 /nfs/dbraw/zinc/29/83/25/496298325.db2.gz AOMIQOFJPMDTOC-CJNGLKHVSA-N 1 1 364.373 3.424 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c([N+](=O)[O-])cc1F ZINC000184235878 496298327 /nfs/dbraw/zinc/29/83/27/496298327.db2.gz AOMIQOFJPMDTOC-CJNGLKHVSA-N 1 1 364.373 3.424 20 5 FGBDMO O=C(NC[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC000178059820 496309633 /nfs/dbraw/zinc/30/96/33/496309633.db2.gz NLVGFKWXRWIWIL-KRWDZBQOSA-N 1 1 353.422 3.237 20 5 FGBDMO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1cc([N+](=O)[O-])ccc1Cl)CC2 ZINC000172589027 496355259 /nfs/dbraw/zinc/35/52/59/496355259.db2.gz DBUWJUAZSJQWBB-CVEARBPZSA-N 1 1 354.834 3.000 20 5 FGBDMO COc1cc(CN[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c([N+](=O)[O-])cc1F ZINC000184405408 496370470 /nfs/dbraw/zinc/37/04/70/496370470.db2.gz DWEQPCFRIKBEAK-ZIAGYGMSSA-N 1 1 365.449 3.485 20 5 FGBDMO Cc1ccc(OC[C@@H](O)C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c(C)c1 ZINC000153194879 496380549 /nfs/dbraw/zinc/38/05/49/496380549.db2.gz ZHVDLCMWHHOHAQ-KRWDZBQOSA-N 1 1 356.422 3.010 20 5 FGBDMO Cc1ccc(OC[C@@H](O)C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c(C)c1 ZINC000153194879 496380552 /nfs/dbraw/zinc/38/05/52/496380552.db2.gz ZHVDLCMWHHOHAQ-KRWDZBQOSA-N 1 1 356.422 3.010 20 5 FGBDMO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC1(O)CCCCCC1 ZINC000187350988 496404433 /nfs/dbraw/zinc/40/44/33/496404433.db2.gz FORPQTIACQKIBR-UHFFFAOYSA-N 1 1 360.414 3.162 20 5 FGBDMO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC1(O)CCCCCC1 ZINC000187350988 496404436 /nfs/dbraw/zinc/40/44/36/496404436.db2.gz FORPQTIACQKIBR-UHFFFAOYSA-N 1 1 360.414 3.162 20 5 FGBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000574732350 505843236 /nfs/dbraw/zinc/84/32/36/505843236.db2.gz NUFNKJGVFFEMHH-CQSZACIVSA-N 1 1 366.421 3.326 20 5 FGBDMO Cc1c(NC(=O)CCN2CCC[C@H]([NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000157234195 496434213 /nfs/dbraw/zinc/43/42/13/496434213.db2.gz OQQZKCBGKKSYOG-KRWDZBQOSA-N 1 1 374.485 3.182 20 5 FGBDMO Cc1csc([C@@H]([NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000181596120 496462544 /nfs/dbraw/zinc/46/25/44/496462544.db2.gz IOYMSTZFKOCLLL-ABAIWWIYSA-N 1 1 360.439 3.428 20 5 FGBDMO O=C(Nc1ccccc1C[NH+]1CCSCC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184717698 496505447 /nfs/dbraw/zinc/50/54/47/496505447.db2.gz CMYJCBPANQTJQA-UHFFFAOYSA-N 1 1 373.434 3.102 20 5 FGBDMO CCN(CC)C(=O)C1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000163506506 496525012 /nfs/dbraw/zinc/52/50/12/496525012.db2.gz CSPYSAUYXXMRKR-UHFFFAOYSA-N 1 1 353.850 3.329 20 5 FGBDMO Cc1cnc(CC[N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)s1 ZINC000157723222 496537853 /nfs/dbraw/zinc/53/78/53/496537853.db2.gz ALOFIFWDUQVBDM-UHFFFAOYSA-N 1 1 362.455 3.171 20 5 FGBDMO Cc1cnc(CC[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)s1 ZINC000157754743 496546143 /nfs/dbraw/zinc/54/61/43/496546143.db2.gz HUBNOFGSEVCOKT-UHFFFAOYSA-N 1 1 362.455 3.171 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000184851889 496557088 /nfs/dbraw/zinc/55/70/88/496557088.db2.gz FLHZTTXCMWWYCN-ZWKOTPCHSA-N 1 1 361.486 3.258 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000153861672 496605584 /nfs/dbraw/zinc/60/55/84/496605584.db2.gz UMBRZGYVKSCULK-OAHLLOKOSA-N 1 1 372.469 3.389 20 5 FGBDMO COc1ccccc1[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000158025080 496611508 /nfs/dbraw/zinc/61/15/08/496611508.db2.gz VNUWLDWZRKKJOQ-HNNXBMFYSA-N 1 1 369.421 3.422 20 5 FGBDMO CCO[C@H]1C[C@@H]([N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C12CCC2 ZINC000154026873 496658860 /nfs/dbraw/zinc/65/88/60/496658860.db2.gz SFNSVZIEVUVEOE-CVEARBPZSA-N 1 1 372.425 3.424 20 5 FGBDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C12CCC2 ZINC000154026873 496658865 /nfs/dbraw/zinc/65/88/65/496658865.db2.gz SFNSVZIEVUVEOE-CVEARBPZSA-N 1 1 372.425 3.424 20 5 FGBDMO CSc1cccc(C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c1[N+](=O)[O-] ZINC000188177063 496709368 /nfs/dbraw/zinc/70/93/68/496709368.db2.gz ZGGXDZAMZHBXSD-ZDUSSCGKSA-N 1 1 351.472 3.263 20 5 FGBDMO Cc1cccc(C2=CC[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000182344783 496730542 /nfs/dbraw/zinc/73/05/42/496730542.db2.gz OKNLHDPFKRXAJM-LJQANCHMSA-N 1 1 368.433 3.432 20 5 FGBDMO COCC[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000273293541 496766250 /nfs/dbraw/zinc/76/62/50/496766250.db2.gz QCMZTFCRMHAHQM-ZDUSSCGKSA-N 1 1 367.789 3.147 20 5 FGBDMO CC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCOC(C)(C)C1 ZINC000574846281 505866887 /nfs/dbraw/zinc/86/68/87/505866887.db2.gz FZVLVKYLPAADBI-CQSZACIVSA-N 1 1 352.431 3.262 20 5 FGBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000247529173 496879915 /nfs/dbraw/zinc/87/99/15/496879915.db2.gz XBZHOYBWXWJXRN-BLLLJJGKSA-N 1 1 374.466 3.131 20 5 FGBDMO COc1cc(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000188753728 496897516 /nfs/dbraw/zinc/89/75/16/496897516.db2.gz DUGXKTBPKCJJFI-AWEZNQCLSA-N 1 1 363.458 3.296 20 5 FGBDMO CSc1ccc(C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000195625258 496955780 /nfs/dbraw/zinc/95/57/80/496955780.db2.gz UQGMZFAASXJUOV-HZSPNIEDSA-N 1 1 365.499 3.413 20 5 FGBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000248165378 496966768 /nfs/dbraw/zinc/96/67/68/496966768.db2.gz SVUYBTVJEULZDC-BXUZGUMPSA-N 1 1 352.822 3.196 20 5 FGBDMO COc1ccc(Cl)c(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000192107524 496996633 /nfs/dbraw/zinc/99/66/33/496996633.db2.gz SWMHEONYHMYHAM-ZDUSSCGKSA-N 1 1 362.817 3.338 20 5 FGBDMO COc1ccc(Cl)c(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000192107524 496996635 /nfs/dbraw/zinc/99/66/35/496996635.db2.gz SWMHEONYHMYHAM-ZDUSSCGKSA-N 1 1 362.817 3.338 20 5 FGBDMO C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000574898962 505878961 /nfs/dbraw/zinc/87/89/61/505878961.db2.gz HIBHVRCWVZXYPR-MAUKXSAKSA-N 1 1 368.437 3.079 20 5 FGBDMO C[N@H+]1CC[C@H](CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000278160825 497023775 /nfs/dbraw/zinc/02/37/75/497023775.db2.gz AIHKPCQTTMSXTJ-MRVPVSSYSA-N 1 1 354.279 3.008 20 5 FGBDMO COc1cc(C[NH2+][C@H](C)c2ccc3c(c2)CC(=O)N3C)c([N+](=O)[O-])cc1F ZINC000274306960 497066456 /nfs/dbraw/zinc/06/64/56/497066456.db2.gz LCVAASAVXKQPMX-LLVKDONJSA-N 1 1 373.384 3.112 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000249121324 497170288 /nfs/dbraw/zinc/17/02/88/497170288.db2.gz ZIOYKOAABNCPCJ-ROUUACIJSA-N 1 1 354.410 3.470 20 5 FGBDMO C[C@H](c1ccccn1)[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274817468 497174154 /nfs/dbraw/zinc/17/41/54/497174154.db2.gz JDOGZTLSJVNQOT-CQSZACIVSA-N 1 1 366.425 3.139 20 5 FGBDMO CCN(CC)c1ncc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)s1 ZINC000278785095 497219509 /nfs/dbraw/zinc/21/95/09/497219509.db2.gz VYUVWOCRYBVQCZ-UHFFFAOYSA-N 1 1 360.443 3.064 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000249684748 497232224 /nfs/dbraw/zinc/23/22/24/497232224.db2.gz LOPZBVDTNDZQBS-TZMCWYRMSA-N 1 1 368.397 3.309 20 5 FGBDMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc([N+](=O)[O-])c1C ZINC000249711323 497235709 /nfs/dbraw/zinc/23/57/09/497235709.db2.gz YLEHGZUVHKRHIZ-APWZRJJASA-N 1 1 369.421 3.087 20 5 FGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@@H]2Cn2cnc3ccccc32)c1 ZINC000271407324 497340482 /nfs/dbraw/zinc/34/04/82/497340482.db2.gz OZHSINBZRHUXAZ-XLIONFOSSA-N 1 1 366.421 3.143 20 5 FGBDMO CCC[C@H](NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000271432620 497347593 /nfs/dbraw/zinc/34/75/93/497347593.db2.gz BFALIAKWHSUMJE-XUVXKRRUSA-N 1 1 361.486 3.403 20 5 FGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCCN(Cc2cscn2)CC1 ZINC000255590122 497371650 /nfs/dbraw/zinc/37/16/50/497371650.db2.gz SKXYOBFOMCFUFA-UTCJRWHESA-N 1 1 358.467 3.272 20 5 FGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCCN(Cc2cscn2)CC1 ZINC000255590122 497371655 /nfs/dbraw/zinc/37/16/55/497371655.db2.gz SKXYOBFOMCFUFA-UTCJRWHESA-N 1 1 358.467 3.272 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000275859580 497448843 /nfs/dbraw/zinc/44/88/43/497448843.db2.gz IXKHPUMGRYXYHU-ZDUSSCGKSA-N 1 1 351.790 3.182 20 5 FGBDMO CCn1nccc1C1CC[NH+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000279479222 497450709 /nfs/dbraw/zinc/45/07/09/497450709.db2.gz TUWDREUDZZILAW-UHFFFAOYSA-N 1 1 374.441 3.208 20 5 FGBDMO Cc1cccc(C[NH+]2CCN(C(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000575069471 505914210 /nfs/dbraw/zinc/91/42/10/505914210.db2.gz RMJANCFCOYTIRD-QGZVFWFLSA-N 1 1 367.449 3.351 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c([N+](=O)[O-])c1 ZINC000194066060 497561712 /nfs/dbraw/zinc/56/17/12/497561712.db2.gz LSGHFPADAQENBQ-BBRMVZONSA-N 1 1 361.354 3.184 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c([N+](=O)[O-])c1 ZINC000194066060 497561717 /nfs/dbraw/zinc/56/17/17/497561717.db2.gz LSGHFPADAQENBQ-BBRMVZONSA-N 1 1 361.354 3.184 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]CCCc1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000272509065 497647648 /nfs/dbraw/zinc/64/76/48/497647648.db2.gz IODQZAJRNLNYAK-SFHVURJKSA-N 1 1 351.410 3.035 20 5 FGBDMO CC(C)[C@H](O)C(C)(C)C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272546991 497657731 /nfs/dbraw/zinc/65/77/31/497657731.db2.gz QIOWJOSWSGUTOO-IRXDYDNUSA-N 1 1 360.458 3.050 20 5 FGBDMO Cc1cc(C(=O)Nc2nc3c(s2)C[N@H+](C(C)C)CC3)ccc1[N+](=O)[O-] ZINC000272995147 497780798 /nfs/dbraw/zinc/78/07/98/497780798.db2.gz GHXHRQBQIBTWDN-UHFFFAOYSA-N 1 1 360.439 3.379 20 5 FGBDMO Cc1cc(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)C)CC3)ccc1[N+](=O)[O-] ZINC000272995147 497780800 /nfs/dbraw/zinc/78/08/00/497780800.db2.gz GHXHRQBQIBTWDN-UHFFFAOYSA-N 1 1 360.439 3.379 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000246586627 497782585 /nfs/dbraw/zinc/78/25/85/497782585.db2.gz ZVVCFLYZBJKWHE-INMHGKMJSA-N 1 1 362.474 3.336 20 5 FGBDMO CO[C@@]1(C)CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000280628600 497833138 /nfs/dbraw/zinc/83/31/38/497833138.db2.gz XFYHYBJXCXWZHA-INIZCTEOSA-N 1 1 355.822 3.078 20 5 FGBDMO CO[C@@]1(C)CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000280628600 497833141 /nfs/dbraw/zinc/83/31/41/497833141.db2.gz XFYHYBJXCXWZHA-INIZCTEOSA-N 1 1 355.822 3.078 20 5 FGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000292081863 497869798 /nfs/dbraw/zinc/86/97/98/497869798.db2.gz FVXCCCPYDRMAKQ-BBRMVZONSA-N 1 1 372.425 3.454 20 5 FGBDMO COc1ccc(C[NH+]2CCC(c3noc(C(C)C)n3)CC2)cc1[N+](=O)[O-] ZINC000299649342 497880977 /nfs/dbraw/zinc/88/09/77/497880977.db2.gz LKCNYDJCAROBIG-UHFFFAOYSA-N 1 1 360.414 3.489 20 5 FGBDMO Cn1ccnc1[C@@H]1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000578450670 505943117 /nfs/dbraw/zinc/94/31/17/505943117.db2.gz IHMCHFLZFIDCHN-OAHLLOKOSA-N 1 1 367.409 3.015 20 5 FGBDMO C[C@@]12CC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C[C@@H]1C2(Cl)Cl ZINC000284827638 497914075 /nfs/dbraw/zinc/91/40/75/497914075.db2.gz QERZOQAGZRBQIY-DZGCQCFKSA-N 1 1 373.236 3.477 20 5 FGBDMO COc1cc2c(cc1OC)C[N@@H+](CCNc1ccc([N+](=O)[O-])c(C)c1)CC2 ZINC000301086932 497945331 /nfs/dbraw/zinc/94/53/31/497945331.db2.gz MPLHPUKEUYRKNU-UHFFFAOYSA-N 1 1 371.437 3.391 20 5 FGBDMO C[C@@H]1C[N@@H+](C(C)(C)CNc2ccc3cc([N+](=O)[O-])ccc3n2)C[C@H](C)O1 ZINC000301108815 497954852 /nfs/dbraw/zinc/95/48/52/497954852.db2.gz XDWDDRZHCSGNQT-OKILXGFUSA-N 1 1 358.442 3.443 20 5 FGBDMO CCC[C@@]1(CO)CC[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000288948153 497954915 /nfs/dbraw/zinc/95/49/15/497954915.db2.gz XFVKLBRQPYBMDC-SCLBCKFNSA-N 1 1 360.414 3.190 20 5 FGBDMO O=[N+]([O-])c1c(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nc2sccn21 ZINC000301111565 497956161 /nfs/dbraw/zinc/95/61/61/497956161.db2.gz YZBOVMGMURCLKM-AWEZNQCLSA-N 1 1 357.439 3.381 20 5 FGBDMO CNC(=O)c1ccc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c([N+](=O)[O-])c1 ZINC000301287124 498038836 /nfs/dbraw/zinc/03/88/36/498038836.db2.gz OSTBELNJMQRNLO-JKSUJKDBSA-N 1 1 374.485 3.045 20 5 FGBDMO CNC(=O)c1ccc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c([N+](=O)[O-])c1 ZINC000301287123 498039754 /nfs/dbraw/zinc/03/97/54/498039754.db2.gz OSTBELNJMQRNLO-HZPDHXFCSA-N 1 1 374.485 3.045 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000301306420 498048761 /nfs/dbraw/zinc/04/87/61/498048761.db2.gz YPJFWKGFYAVLEW-ZIAGYGMSSA-N 1 1 363.487 3.395 20 5 FGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC[N@H+](C2CCOCC2)CC1 ZINC000301360766 498075192 /nfs/dbraw/zinc/07/51/92/498075192.db2.gz MBXAZKPTZZUMQT-UHFFFAOYSA-N 1 1 373.375 3.305 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CCC[N@H+](C3CCOCC3)CC2)cc1C(F)(F)F ZINC000301484681 498129627 /nfs/dbraw/zinc/12/96/27/498129627.db2.gz VRWSWIUPYAGDSH-UHFFFAOYSA-N 1 1 373.375 3.305 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1c(F)cncc1F ZINC000285587362 498138861 /nfs/dbraw/zinc/13/88/61/498138861.db2.gz IKSZWKAKBVJHHS-LLVKDONJSA-N 1 1 364.352 3.256 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@H](C3CCOCC3)C2)c1 ZINC000330613092 498160016 /nfs/dbraw/zinc/16/00/16/498160016.db2.gz QWKGFWAIYQICGC-ZDUSSCGKSA-N 1 1 356.369 3.445 20 5 FGBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C)c1c(F)cncc1F ZINC000285696551 498174467 /nfs/dbraw/zinc/17/44/67/498174467.db2.gz OPPPRAOQBHQHAV-GHMZBOCLSA-N 1 1 364.352 3.336 20 5 FGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c1 ZINC000285782776 498199069 /nfs/dbraw/zinc/19/90/69/498199069.db2.gz DYSOUYUYNLOYDK-MXEMCNAFSA-N 1 1 368.433 3.133 20 5 FGBDMO CC[C@@H](Nc1ccc([N+](=O)[O-])c(C)n1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000301661817 498211341 /nfs/dbraw/zinc/21/13/41/498211341.db2.gz MWQFEYHPGJPRBU-IEBWSBKVSA-N 1 1 370.453 3.390 20 5 FGBDMO CC[C@@H](Nc1ccc([N+](=O)[O-])c(C)n1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000301661817 498211347 /nfs/dbraw/zinc/21/13/47/498211347.db2.gz MWQFEYHPGJPRBU-IEBWSBKVSA-N 1 1 370.453 3.390 20 5 FGBDMO COc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)cc([N+](=O)[O-])c1C ZINC000364930851 498215334 /nfs/dbraw/zinc/21/53/34/498215334.db2.gz PRJBIUFTOZMBBB-UHFFFAOYSA-N 1 1 367.365 3.053 20 5 FGBDMO Cn1cc[nH+]c1C[C@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000301715693 498235659 /nfs/dbraw/zinc/23/56/59/498235659.db2.gz MUSHWXKDDNBOQQ-GFCCVEGCSA-N 1 1 366.368 3.389 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000360341612 498267039 /nfs/dbraw/zinc/26/70/39/498267039.db2.gz GPCDLVSURGFVLR-QGZVFWFLSA-N 1 1 368.437 3.191 20 5 FGBDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000286171297 498313991 /nfs/dbraw/zinc/31/39/91/498313991.db2.gz WUBPGUJWKMHALI-CJNGLKHVSA-N 1 1 360.414 3.160 20 5 FGBDMO CCOc1cccc(NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000302085587 498399283 /nfs/dbraw/zinc/39/92/83/498399283.db2.gz DVWYNHNAFWISAG-OKILXGFUSA-N 1 1 351.447 3.293 20 5 FGBDMO CCOc1cccc(NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000302085587 498399290 /nfs/dbraw/zinc/39/92/90/498399290.db2.gz DVWYNHNAFWISAG-OKILXGFUSA-N 1 1 351.447 3.293 20 5 FGBDMO Cc1nn(C)c(N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1[N+](=O)[O-] ZINC000302202268 498440335 /nfs/dbraw/zinc/44/03/35/498440335.db2.gz ZRNDEQCIEQWEES-FGTMMUONSA-N 1 1 369.469 3.349 20 5 FGBDMO C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000293645780 498441059 /nfs/dbraw/zinc/44/10/59/498441059.db2.gz HUBCCBKRLCHCPE-LBPRGKRZSA-N 1 1 351.834 3.195 20 5 FGBDMO C[C@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000293749048 498477061 /nfs/dbraw/zinc/47/70/61/498477061.db2.gz SIHCCEFMEPEZMA-GFCCVEGCSA-N 1 1 351.834 3.195 20 5 FGBDMO CCc1nn(C)c(NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000302436428 498483509 /nfs/dbraw/zinc/48/35/09/498483509.db2.gz PQHVMFUVEPDKKM-LJQANCHMSA-N 1 1 357.458 3.357 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@H](C[C@H]4CCOC4)C3)n2)cc1 ZINC000362287322 498488325 /nfs/dbraw/zinc/48/83/25/498488325.db2.gz VJXRMAMHIORDDV-LSDHHAIUSA-N 1 1 372.425 3.283 20 5 FGBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])C2)C1 ZINC000293805736 498495868 /nfs/dbraw/zinc/49/58/68/498495868.db2.gz AKFKEHKKRVZVKD-INIZCTEOSA-N 1 1 372.252 3.460 20 5 FGBDMO COc1cc(C[NH+]2CC(C3CCC3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000581753228 506060446 /nfs/dbraw/zinc/06/04/46/506060446.db2.gz ORBZBFCBYPAIAT-UHFFFAOYSA-N 1 1 356.369 3.479 20 5 FGBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000297912051 498608461 /nfs/dbraw/zinc/60/84/61/498608461.db2.gz TZSNGZFEWIJRKQ-SMDDNHRTSA-N 1 1 371.359 3.170 20 5 FGBDMO O=C(c1csc([N+](=O)[O-])c1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000365744823 498622206 /nfs/dbraw/zinc/62/22/06/498622206.db2.gz AILPXDUDJFXYAZ-RDJZCZTQSA-N 1 1 371.462 3.250 20 5 FGBDMO Cc1cc(Cl)c(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000297999666 498633286 /nfs/dbraw/zinc/63/32/86/498633286.db2.gz ZEOBKHBSQBUGFF-IUODEOHRSA-N 1 1 351.834 3.113 20 5 FGBDMO C[N@H+]1CC[C@H](CNCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000365819628 498653979 /nfs/dbraw/zinc/65/39/79/498653979.db2.gz JTTAVFJSGBCWEK-APWZRJJASA-N 1 1 370.409 3.286 20 5 FGBDMO COc1cccc(C(=O)N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000332341361 498655621 /nfs/dbraw/zinc/65/56/21/498655621.db2.gz QZMUCOBBAARCEI-QLFBSQMISA-N 1 1 361.442 3.081 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)N2CCC[C@H]2[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000363352982 498776937 /nfs/dbraw/zinc/77/69/37/498776937.db2.gz QKZREDFRKDOWMM-UAGQMJEPSA-N 1 1 360.458 3.232 20 5 FGBDMO CC(C)(CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[N+](=O)[O-] ZINC000294722950 498783576 /nfs/dbraw/zinc/78/35/76/498783576.db2.gz VFPNNWANVBWSTR-AYHJJNSGSA-N 1 1 359.470 3.134 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]1c1cccn1C ZINC000298606020 498827671 /nfs/dbraw/zinc/82/76/71/498827671.db2.gz LTBPBGAYALDJCM-KRWDZBQOSA-N 1 1 372.425 3.108 20 5 FGBDMO COc1cc(C[N@@H+]2CCC[C@H](OC)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000363669482 498934654 /nfs/dbraw/zinc/93/46/54/498934654.db2.gz CCROQRIDBFWNIH-ZDUSSCGKSA-N 1 1 374.384 3.248 20 5 FGBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1F ZINC000283806089 498987111 /nfs/dbraw/zinc/98/71/11/498987111.db2.gz BQQWESAZMDDJMH-ZIAGYGMSSA-N 1 1 363.433 3.425 20 5 FGBDMO O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000295365411 498993956 /nfs/dbraw/zinc/99/39/56/498993956.db2.gz OBHMVYFMELZLHU-ZDUSSCGKSA-N 1 1 371.359 3.360 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@@H]([C@@H]4CCOC4)C3)o2)c1 ZINC000366650890 499018276 /nfs/dbraw/zinc/01/82/76/499018276.db2.gz GUMIUIVHGKADOP-HZPDHXFCSA-N 1 1 357.410 3.151 20 5 FGBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000288424760 499020595 /nfs/dbraw/zinc/02/05/95/499020595.db2.gz MQXLYKIQZURTLO-CQSZACIVSA-N 1 1 358.446 3.036 20 5 FGBDMO O=c1cc(C[N@H+]2CCC(F)(F)[C@H](CO)C2)c2c(ccc3ccccc32)o1 ZINC000291656531 499025271 /nfs/dbraw/zinc/02/52/71/499025271.db2.gz FNEKRWGLZZBVSY-HNNXBMFYSA-N 1 1 359.372 3.396 20 5 FGBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc([N+](=O)[O-])s1 ZINC000299441425 499059750 /nfs/dbraw/zinc/05/97/50/499059750.db2.gz KNKYDIDPLAQWFU-GFCCVEGCSA-N 1 1 365.480 3.360 20 5 FGBDMO CC(C)(CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[N+](=O)[O-] ZINC000295816267 499106884 /nfs/dbraw/zinc/10/68/84/499106884.db2.gz BZJKSLZTDLWPOQ-QGZVFWFLSA-N 1 1 361.486 3.239 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000284480328 499114308 /nfs/dbraw/zinc/11/43/08/499114308.db2.gz TVFXKCLAPVOTKU-RDTXWAMCSA-N 1 1 373.453 3.082 20 5 FGBDMO Cc1c[nH+]cn1C1CCN(C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000367079690 499145341 /nfs/dbraw/zinc/14/53/41/499145341.db2.gz HQYGELBRPHWKHT-UHFFFAOYSA-N 1 1 372.425 3.041 20 5 FGBDMO Cc1cc(CN2CCC([N@@H+](C)CCc3ccc([N+](=O)[O-])cc3)CC2)on1 ZINC000369905467 499149466 /nfs/dbraw/zinc/14/94/66/499149466.db2.gz APHGBXDAFMPHHU-UHFFFAOYSA-N 1 1 358.442 3.030 20 5 FGBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000372734165 499167819 /nfs/dbraw/zinc/16/78/19/499167819.db2.gz BVNSNYCZRZEMCX-ZVGUJKQYSA-N 1 1 362.429 3.032 20 5 FGBDMO Cc1cc(C[NH+]2CCC(N(C)Cc3cc(F)ccc3[N+](=O)[O-])CC2)on1 ZINC000370168407 499191614 /nfs/dbraw/zinc/19/16/14/499191614.db2.gz CXPAPPNCJMESIG-UHFFFAOYSA-N 1 1 362.405 3.127 20 5 FGBDMO CC(C)c1[nH+]ccn1C[C@@H]1CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000371020680 499281115 /nfs/dbraw/zinc/28/11/15/499281115.db2.gz BNCPACJVYGAMSY-KRWDZBQOSA-N 1 1 356.426 3.148 20 5 FGBDMO CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000371125528 499290762 /nfs/dbraw/zinc/29/07/62/499290762.db2.gz BFPPDWSAPABYIN-CQSZACIVSA-N 1 1 374.466 3.380 20 5 FGBDMO Cc1sc(C(=O)N2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)cc1[N+](=O)[O-] ZINC000368426720 499294728 /nfs/dbraw/zinc/29/47/28/499294728.db2.gz XPQRMTWIUXNNRG-CYBMUJFWSA-N 1 1 363.483 3.301 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@H](Cc3ccncc3)C2)cccc1[N+](=O)[O-] ZINC000368765701 499329738 /nfs/dbraw/zinc/32/97/38/499329738.db2.gz QPGHMSBRELCJEZ-NVXWUHKLSA-N 1 1 368.437 3.190 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC2(CCOCC2)[C@H]1C ZINC000368814564 499335329 /nfs/dbraw/zinc/33/53/29/499335329.db2.gz UDWPROMEYIHMKR-OAHLLOKOSA-N 1 1 361.442 3.123 20 5 FGBDMO C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000372022578 499390461 /nfs/dbraw/zinc/39/04/61/499390461.db2.gz XZTDCTGHBRUYOL-FZKQIMNGSA-N 1 1 355.394 3.439 20 5 FGBDMO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000372022578 499390463 /nfs/dbraw/zinc/39/04/63/499390463.db2.gz XZTDCTGHBRUYOL-FZKQIMNGSA-N 1 1 355.394 3.439 20 5 FGBDMO C[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1c1cccc(Cl)c1 ZINC000369358946 499395380 /nfs/dbraw/zinc/39/53/80/499395380.db2.gz OETSSPCWJRSFAJ-WBMJQRKESA-N 1 1 363.801 3.264 20 5 FGBDMO C[N@H+]1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1c1cccs1 ZINC000369539343 499414650 /nfs/dbraw/zinc/41/46/50/499414650.db2.gz IAJKELAVCVECIQ-LRDDRELGSA-N 1 1 360.439 3.471 20 5 FGBDMO CNC(=O)c1ccc(NC[C@H]2CC[N@@H+](C)[C@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000369562154 499418053 /nfs/dbraw/zinc/41/80/53/499418053.db2.gz XQMFBFNXKIYDSW-CXAGYDPISA-N 1 1 374.466 3.121 20 5 FGBDMO Cc1ccc(C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000369568155 499419417 /nfs/dbraw/zinc/41/94/17/499419417.db2.gz KCAPDVNQSZATNX-RHSMWYFYSA-N 1 1 359.451 3.388 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(CN3C[C@@H]4C[N@H+]5CCCC[C@H]5[C@@H]4C3)co2)cc1 ZINC000372385849 499427046 /nfs/dbraw/zinc/42/70/46/499427046.db2.gz RKDCLIUNOKNBHK-LZQZEXGQSA-N 1 1 368.437 3.166 20 5 FGBDMO CC(C)c1ccccc1NC(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373239382 499459309 /nfs/dbraw/zinc/45/93/09/499459309.db2.gz CREOATTUPLYMEY-UHFFFAOYSA-N 1 1 371.441 3.190 20 5 FGBDMO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000373459036 499471045 /nfs/dbraw/zinc/47/10/45/499471045.db2.gz JTPGVIKUXZFLQX-CZAAIQMYSA-N 1 1 369.465 3.128 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC([C@@H]4CCCOC4)CC3)n2)c1 ZINC000378599878 499536341 /nfs/dbraw/zinc/53/63/41/499536341.db2.gz WIBBJYMZAKPKRJ-MRXNPFEDSA-N 1 1 372.425 3.283 20 5 FGBDMO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000381029011 499544482 /nfs/dbraw/zinc/54/44/82/499544482.db2.gz WMDSQXIPQAFWQX-QZTJIDSGSA-N 1 1 369.469 3.078 20 5 FGBDMO CC[C@H](NC(=O)NCc1[nH+]c(C)n2c1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000375821825 499559253 /nfs/dbraw/zinc/55/92/53/499559253.db2.gz CURWTBLFBWSNML-INIZCTEOSA-N 1 1 371.441 3.387 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[NH+]1CCC(CCCO)CC1 ZINC000400952695 499569168 /nfs/dbraw/zinc/56/91/68/499569168.db2.gz FYPXSYSGKOQGGD-UHFFFAOYSA-N 1 1 357.248 3.342 20 5 FGBDMO O=[N+]([O-])c1cnc(NC[C@H]2CCC[N@@H+](Cc3cccnc3)C2)c(Cl)c1 ZINC000377800878 499735847 /nfs/dbraw/zinc/73/58/47/499735847.db2.gz OIEOFINQFCOVEN-CQSZACIVSA-N 1 1 361.833 3.362 20 5 FGBDMO COc1cc(N2CCC[N@@H+](Cc3cnn(C(C)C)c3)CC2)ccc1[N+](=O)[O-] ZINC000377838287 499740812 /nfs/dbraw/zinc/74/08/12/499740812.db2.gz XHZNZSSFRBABPU-UHFFFAOYSA-N 1 1 373.457 3.093 20 5 FGBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411597206 499767221 /nfs/dbraw/zinc/76/72/21/499767221.db2.gz RXNRKRCCSJYATI-GLIGQWPOSA-N 1 1 359.470 3.181 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]CC(C)(C)c1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000414329703 499778162 /nfs/dbraw/zinc/77/81/62/499778162.db2.gz IGXYRZOJOSHPOR-SFHVURJKSA-N 1 1 365.437 3.380 20 5 FGBDMO CC(C)Oc1cc(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000411741338 499785256 /nfs/dbraw/zinc/78/52/56/499785256.db2.gz ZLZDDDLKBHVTEW-OAHLLOKOSA-N 1 1 363.458 3.232 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000411951836 499806006 /nfs/dbraw/zinc/80/60/06/499806006.db2.gz SIKVOAPRUIZZAY-LPHOPBHVSA-N 1 1 369.421 3.040 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000411973616 499807985 /nfs/dbraw/zinc/80/79/85/499807985.db2.gz RQTAJVHBGBZRNU-KYNGSXCRSA-N 1 1 353.422 3.165 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](c1ccccc1)C1(CO)CCCCC1 ZINC000412013238 499812954 /nfs/dbraw/zinc/81/29/54/499812954.db2.gz NRQUNUTYADPKIX-QGZVFWFLSA-N 1 1 358.442 3.102 20 5 FGBDMO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000412053210 499817700 /nfs/dbraw/zinc/81/77/00/499817700.db2.gz FBHBACSJYJLSJE-AWEZNQCLSA-N 1 1 351.834 3.225 20 5 FGBDMO O=C1CCCN1[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000412053210 499817702 /nfs/dbraw/zinc/81/77/02/499817702.db2.gz FBHBACSJYJLSJE-AWEZNQCLSA-N 1 1 351.834 3.225 20 5 FGBDMO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000412058424 499818871 /nfs/dbraw/zinc/81/88/71/499818871.db2.gz VFHOKSAYYPQBSF-OAHLLOKOSA-N 1 1 351.834 3.225 20 5 FGBDMO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000412058424 499818873 /nfs/dbraw/zinc/81/88/73/499818873.db2.gz VFHOKSAYYPQBSF-OAHLLOKOSA-N 1 1 351.834 3.225 20 5 FGBDMO Cc1c(C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000412699905 499877296 /nfs/dbraw/zinc/87/72/96/499877296.db2.gz PZMZXLAPTAAYMX-HNNXBMFYSA-N 1 1 353.422 3.250 20 5 FGBDMO Cc1c(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000412699905 499877298 /nfs/dbraw/zinc/87/72/98/499877298.db2.gz PZMZXLAPTAAYMX-HNNXBMFYSA-N 1 1 353.422 3.250 20 5 FGBDMO O=[N+]([O-])c1ccc2ccnc(N3CC[NH+](Cc4cccc(O)c4)CC3)c2c1 ZINC000413118532 499916241 /nfs/dbraw/zinc/91/62/41/499916241.db2.gz ZRISZWBNJZYYRF-UHFFFAOYSA-N 1 1 364.405 3.171 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)C[C@H]1C ZINC000413501583 499973353 /nfs/dbraw/zinc/97/33/53/499973353.db2.gz PKRXLVITZPSLFE-GDBMZVCRSA-N 1 1 363.458 3.327 20 5 FGBDMO Cc1cc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000424996430 499986731 /nfs/dbraw/zinc/98/67/31/499986731.db2.gz ARIKOOBHMOKZLR-AZUAARDMSA-N 1 1 365.433 3.250 20 5 FGBDMO CC[C@@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000429206755 500023778 /nfs/dbraw/zinc/02/37/78/500023778.db2.gz GWWNKIUHXCGAGI-CMPLNLGQSA-N 1 1 362.257 3.183 20 5 FGBDMO CC[C@@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000429206755 500023780 /nfs/dbraw/zinc/02/37/80/500023780.db2.gz GWWNKIUHXCGAGI-CMPLNLGQSA-N 1 1 362.257 3.183 20 5 FGBDMO O=[N+]([O-])c1ccc2c(c1)[C@H](NC1CC[NH+]([C@@H]3CCC[C@@H]3O)CC1)CCCC2 ZINC000417311322 500036562 /nfs/dbraw/zinc/03/65/62/500036562.db2.gz OIFIJSMSGMNKBQ-NJYVYQBISA-N 1 1 373.497 3.330 20 5 FGBDMO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CCN([C@@H]3CCC[C@@H]3O)CC1)CCCC2 ZINC000417311322 500036566 /nfs/dbraw/zinc/03/65/66/500036566.db2.gz OIFIJSMSGMNKBQ-NJYVYQBISA-N 1 1 373.497 3.330 20 5 FGBDMO CC(C)[C@@H](C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)N1CCN(C)CC1 ZINC000417324734 500039845 /nfs/dbraw/zinc/03/98/45/500039845.db2.gz QHZWFUQUAYOLCI-NHCUHLMSSA-N 1 1 374.529 3.224 20 5 FGBDMO CCn1cc([C@H](C)[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])cn1 ZINC000425491669 500122017 /nfs/dbraw/zinc/12/20/17/500122017.db2.gz MOYIFIGCKONART-JTQLQIEISA-N 1 1 353.220 3.425 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000430237861 500213049 /nfs/dbraw/zinc/21/30/49/500213049.db2.gz JRNYHMOOSOLFPA-FQEVSTJZSA-N 1 1 356.422 3.173 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000430883652 500301827 /nfs/dbraw/zinc/30/18/27/500301827.db2.gz RNVLXSQKUOFVCY-KRWDZBQOSA-N 1 1 353.422 3.388 20 5 FGBDMO Cc1cccc(NCCNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)[nH+]1 ZINC000427396370 500389198 /nfs/dbraw/zinc/38/91/98/500389198.db2.gz CXJFIRRYMJBTCA-UHFFFAOYSA-N 1 1 369.425 3.058 20 5 FGBDMO C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)[C@H](C(N)=O)C1 ZINC000428457699 500512399 /nfs/dbraw/zinc/51/23/99/500512399.db2.gz MYVZLAJFPMIIBG-LRDDRELGSA-N 1 1 359.451 3.409 20 5 FGBDMO CCOc1ccc([C@@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000432411982 500512967 /nfs/dbraw/zinc/51/29/67/500512967.db2.gz DDHXLFBFTCRNMF-HZPDHXFCSA-N 1 1 365.474 3.145 20 5 FGBDMO CCOc1ccc([C@@H](C)[NH2+]CCCN2CCCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000432411982 500512969 /nfs/dbraw/zinc/51/29/69/500512969.db2.gz DDHXLFBFTCRNMF-HZPDHXFCSA-N 1 1 365.474 3.145 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@H](O)CC23CCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000420990797 500549866 /nfs/dbraw/zinc/54/98/66/500549866.db2.gz GRHPSQCKKWCCKW-LBPRGKRZSA-N 1 1 372.368 3.084 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@H](O)CC23CCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000420990797 500549868 /nfs/dbraw/zinc/54/98/68/500549868.db2.gz GRHPSQCKKWCCKW-LBPRGKRZSA-N 1 1 372.368 3.084 20 5 FGBDMO CN(CCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000447515254 500615437 /nfs/dbraw/zinc/61/54/37/500615437.db2.gz BLGDDEUHIDDHAZ-RTBURBONSA-N 1 1 371.485 3.387 20 5 FGBDMO COc1cc(C[N@H+]2CCCC[C@@H]2C[C@@H](C)O)c([N+](=O)[O-])cc1OC(F)F ZINC000447844221 500676484 /nfs/dbraw/zinc/67/64/84/500676484.db2.gz PLZFUDOISBAOAW-DGCLKSJQSA-N 1 1 374.384 3.330 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000437848024 500706296 /nfs/dbraw/zinc/70/62/96/500706296.db2.gz ZXHDKHGCPQBWDX-INIZCTEOSA-N 1 1 369.421 3.249 20 5 FGBDMO COc1cccc(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000437858768 500708464 /nfs/dbraw/zinc/70/84/64/500708464.db2.gz CTFSZOUQSBTFCR-OAHLLOKOSA-N 1 1 361.442 3.130 20 5 FGBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000448259516 500741296 /nfs/dbraw/zinc/74/12/96/500741296.db2.gz DTCXZFORQRALIE-MRXNPFEDSA-N 1 1 362.474 3.250 20 5 FGBDMO CC1(C)CCC[N@H+](CCNc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000443954719 500783158 /nfs/dbraw/zinc/78/31/58/500783158.db2.gz DTWGBZLAACMYOA-UHFFFAOYSA-N 1 1 357.252 3.286 20 5 FGBDMO CC1(C)CCC[N@@H+](CCNc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000443954719 500783161 /nfs/dbraw/zinc/78/31/61/500783161.db2.gz DTWGBZLAACMYOA-UHFFFAOYSA-N 1 1 357.252 3.286 20 5 FGBDMO CC(C)[C@H](CO)[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccccc1 ZINC000444651187 500873214 /nfs/dbraw/zinc/87/32/14/500873214.db2.gz OKHNKYQOZTVABM-IBGZPJMESA-N 1 1 368.437 3.490 20 5 FGBDMO CC[C@@H]1CCCC[C@H]1[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000444663227 500874959 /nfs/dbraw/zinc/87/49/59/500874959.db2.gz KETBIUAXAMRFSU-RHSMWYFYSA-N 1 1 354.472 3.269 20 5 FGBDMO CCOc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)cc1[N+](=O)[O-] ZINC000439686937 500926059 /nfs/dbraw/zinc/92/60/59/500926059.db2.gz CYAIDMZKPRPQEH-MRXNPFEDSA-N 1 1 363.458 3.234 20 5 FGBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cccc3ccoc32)CC1 ZINC000449343477 500982307 /nfs/dbraw/zinc/98/23/07/500982307.db2.gz KUSRVDQNHUUPHN-UHFFFAOYSA-N 1 1 365.389 3.299 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000449409831 500996849 /nfs/dbraw/zinc/99/68/49/500996849.db2.gz RDUPCMVGJOPTCZ-AWEZNQCLSA-N 1 1 363.458 3.107 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1CCCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000449493922 501016495 /nfs/dbraw/zinc/01/64/95/501016495.db2.gz MJVYFXFKFOSBTB-ZFWWWQNUSA-N 1 1 350.369 3.443 20 5 FGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3cnn(CC(F)F)c3)C2)cc1 ZINC000449505857 501020727 /nfs/dbraw/zinc/02/07/27/501020727.db2.gz YBXLKIJVHAKMJJ-OAHLLOKOSA-N 1 1 350.369 3.436 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]CC(C)(C)C1(O)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000449737995 501072173 /nfs/dbraw/zinc/07/21/73/501072173.db2.gz WXHFPFCRSXQCAV-QGZVFWFLSA-N 1 1 372.469 3.339 20 5 FGBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2c3ccc(OC)cc3ncc2[N+](=O)[O-])C1 ZINC000450358424 501099438 /nfs/dbraw/zinc/09/94/38/501099438.db2.gz AURWCBCUVPYIPY-AWEZNQCLSA-N 1 1 358.442 3.320 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000441283455 501114110 /nfs/dbraw/zinc/11/41/10/501114110.db2.gz YRWCPWAEQTVDIY-FVQBIDKESA-N 1 1 372.425 3.454 20 5 FGBDMO COc1ccc(OCC[N@@H+](C[C@H]2CCCO2)C2CCCC2)c([N+](=O)[O-])c1 ZINC000441442419 501139468 /nfs/dbraw/zinc/13/94/68/501139468.db2.gz BVEJECDYDLCONH-QGZVFWFLSA-N 1 1 364.442 3.406 20 5 FGBDMO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1C ZINC000446713404 501155850 /nfs/dbraw/zinc/15/58/50/501155850.db2.gz XQEMSUVSBRVMQX-FQEVSTJZSA-N 1 1 370.449 3.318 20 5 FGBDMO Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1C ZINC000446713404 501155851 /nfs/dbraw/zinc/15/58/51/501155851.db2.gz XQEMSUVSBRVMQX-FQEVSTJZSA-N 1 1 370.449 3.318 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccc(F)c4cccnc34)nc2c1 ZINC000446845497 501172497 /nfs/dbraw/zinc/17/24/97/501172497.db2.gz NEXMNYIOFCKFEX-UHFFFAOYSA-N 1 1 351.341 3.448 20 5 FGBDMO CCOc1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1OC ZINC000446848674 501173513 /nfs/dbraw/zinc/17/35/13/501173513.db2.gz ISWRSDOVPUZVIQ-UHFFFAOYSA-N 1 1 356.382 3.168 20 5 FGBDMO CCOc1cc(C[N@H+](Cc2cccc(C(N)=O)c2)C2CC2)ccc1[N+](=O)[O-] ZINC000451211088 501252338 /nfs/dbraw/zinc/25/23/38/501252338.db2.gz TUELVEVHJXTQLE-UHFFFAOYSA-N 1 1 369.421 3.257 20 5 FGBDMO CCOc1cc(C[N@@H+](Cc2cccc(C(N)=O)c2)C2CC2)ccc1[N+](=O)[O-] ZINC000451211088 501252339 /nfs/dbraw/zinc/25/23/39/501252339.db2.gz TUELVEVHJXTQLE-UHFFFAOYSA-N 1 1 369.421 3.257 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC4(CCOCC4)[C@@H]4CCC[C@@H]43)nc2c1 ZINC000451631324 501340483 /nfs/dbraw/zinc/34/04/83/501340483.db2.gz VNNKTSDHLTWURK-PBHICJAKSA-N 1 1 356.426 3.252 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451700076 501354547 /nfs/dbraw/zinc/35/45/47/501354547.db2.gz XDCDLEWTCHZHRR-JJAZEVLHSA-N 1 1 372.425 3.189 20 5 FGBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000451720232 501359325 /nfs/dbraw/zinc/35/93/25/501359325.db2.gz LITWGJRLTVCLPS-LBPRGKRZSA-N 1 1 359.348 3.218 20 5 FGBDMO CO[C@@H]1C[C@H]([N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C12CCC2 ZINC000451859543 501387312 /nfs/dbraw/zinc/38/73/12/501387312.db2.gz WJPVUOCYPMMTFG-LSDHHAIUSA-N 1 1 358.398 3.034 20 5 FGBDMO CO[C@@H]1C[C@H]([N@@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C12CCC2 ZINC000451859543 501387313 /nfs/dbraw/zinc/38/73/13/501387313.db2.gz WJPVUOCYPMMTFG-LSDHHAIUSA-N 1 1 358.398 3.034 20 5 FGBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000451883472 501392338 /nfs/dbraw/zinc/39/23/38/501392338.db2.gz FDYXIAWNNMJDLZ-UFBFGSQYSA-N 1 1 372.265 3.359 20 5 FGBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000451883472 501392342 /nfs/dbraw/zinc/39/23/42/501392342.db2.gz FDYXIAWNNMJDLZ-UFBFGSQYSA-N 1 1 372.265 3.359 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(Cc2cc(F)ccc2F)CC1 ZINC000451967604 501410457 /nfs/dbraw/zinc/41/04/57/501410457.db2.gz QXSUWJYCBKJUQI-UHFFFAOYSA-N 1 1 350.369 3.061 20 5 FGBDMO CC[C@@H](NC(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000458526810 501466166 /nfs/dbraw/zinc/46/61/66/501466166.db2.gz YFRZBSLBQBSGCG-RDTXWAMCSA-N 1 1 360.458 3.172 20 5 FGBDMO C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456351259 501506864 /nfs/dbraw/zinc/50/68/64/501506864.db2.gz WPERWOBPFAPNAQ-HNNXBMFYSA-N 1 1 371.412 3.328 20 5 FGBDMO C[C@H](NC(=O)NCC[N@@H+]1CCc2sccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000454369977 501525496 /nfs/dbraw/zinc/52/54/96/501525496.db2.gz PQQJKGMBNKFUSX-ZDUSSCGKSA-N 1 1 374.466 3.075 20 5 FGBDMO C[C@H](NC(=O)NCC[N@H+]1CCc2sccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000454369977 501525500 /nfs/dbraw/zinc/52/55/00/501525500.db2.gz PQQJKGMBNKFUSX-ZDUSSCGKSA-N 1 1 374.466 3.075 20 5 FGBDMO NC(=O)c1cc(NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)ccc1[N+](=O)[O-] ZINC000596101011 506259039 /nfs/dbraw/zinc/25/90/39/506259039.db2.gz HFOFHXPQJYWJMD-CYBMUJFWSA-N 1 1 374.466 3.079 20 5 FGBDMO CCCN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CC[N@@H+](C)C1 ZINC000592829346 506269537 /nfs/dbraw/zinc/26/95/37/506269537.db2.gz OCEMPDRBZFBPLV-ZDUSSCGKSA-N 1 1 359.348 3.170 20 5 FGBDMO Cn1cc(CNC[C@H]2CC[N@@H+]2C2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000598998048 506270224 /nfs/dbraw/zinc/27/02/24/506270224.db2.gz DBJPXVGEFLVTJQ-LJQANCHMSA-N 1 1 369.469 3.102 20 5 FGBDMO Cn1cc(CNC[C@H]2CC[N@H+]2C2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000598998048 506270227 /nfs/dbraw/zinc/27/02/27/506270227.db2.gz DBJPXVGEFLVTJQ-LJQANCHMSA-N 1 1 369.469 3.102 20 5 FGBDMO C[C@@H]1[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000477621166 501740760 /nfs/dbraw/zinc/74/07/60/501740760.db2.gz HKARJQPZDPFBRW-QAPCUYQASA-N 1 1 368.437 3.057 20 5 FGBDMO CC(C)C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)CC(C)(C)C ZINC000474228805 501752835 /nfs/dbraw/zinc/75/28/35/501752835.db2.gz UQLMXQMBLWFPNZ-UHFFFAOYSA-N 1 1 365.430 3.266 20 5 FGBDMO C[N@H+]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC000467457720 501799066 /nfs/dbraw/zinc/79/90/66/501799066.db2.gz FQSSCOIJXQPTTO-UHFFFAOYSA-N 1 1 372.469 3.260 20 5 FGBDMO CCO[C@H]1C[C@H]([N@@H+](C)CCOc2ccc(OC)cc2[N+](=O)[O-])C12CCC2 ZINC000477843364 501805660 /nfs/dbraw/zinc/80/56/60/501805660.db2.gz CATXSTAHEPTOMR-ROUUACIJSA-N 1 1 364.442 3.262 20 5 FGBDMO Cc1cc(C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000467694934 501847268 /nfs/dbraw/zinc/84/72/68/501847268.db2.gz CNDTVAOXZNLPND-QAPCUYQASA-N 1 1 353.422 3.296 20 5 FGBDMO COc1ccc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000471021214 501892798 /nfs/dbraw/zinc/89/27/98/501892798.db2.gz ITXRVHZEKYXRAH-KDURUIRLSA-N 1 1 367.449 3.167 20 5 FGBDMO O=c1[nH]ccc(N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1[N+](=O)[O-] ZINC000596150886 506281630 /nfs/dbraw/zinc/28/16/30/506281630.db2.gz DFVKZEGKUMTFEJ-FQEVSTJZSA-N 1 1 368.437 3.188 20 5 FGBDMO C[N@@H+](CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)Cc1ccc(F)cc1 ZINC000482004190 501943852 /nfs/dbraw/zinc/94/38/52/501943852.db2.gz CAZXDMKCVZFWTI-UHFFFAOYSA-N 1 1 370.384 3.077 20 5 FGBDMO COc1c(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000474904887 501986407 /nfs/dbraw/zinc/98/64/07/501986407.db2.gz DOZMZQRCZHJQQR-GASCZTMLSA-N 1 1 363.458 3.091 20 5 FGBDMO CCc1ccc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000471370154 502001722 /nfs/dbraw/zinc/00/17/22/502001722.db2.gz KFWDQFIZQYOUIH-UHFFFAOYSA-N 1 1 367.449 3.158 20 5 FGBDMO C[C@H](CNC(=O)CSc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000478557509 502017333 /nfs/dbraw/zinc/01/73/33/502017333.db2.gz AVJXTNGEWRUANF-ZIAGYGMSSA-N 1 1 351.472 3.066 20 5 FGBDMO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000475203593 502097968 /nfs/dbraw/zinc/09/79/68/502097968.db2.gz HGBBTLNKWFJYOX-OCCSQVGLSA-N 1 1 372.347 3.362 20 5 FGBDMO C[C@@H]1C[C@@H](CCNc2cc[nH]c(=O)c2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000596173642 506293342 /nfs/dbraw/zinc/29/33/42/506293342.db2.gz ZOVHUZJPJSZFPM-GDBMZVCRSA-N 1 1 356.426 3.408 20 5 FGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000468739015 502166432 /nfs/dbraw/zinc/16/64/32/502166432.db2.gz JTLNYCCFNWCULK-IDBNTSCLSA-N 1 1 373.497 3.356 20 5 FGBDMO Cc1cc(NCCCN2CCN(c3cc[nH+]cc3)CC2)c(F)cc1[N+](=O)[O-] ZINC000461771938 502197359 /nfs/dbraw/zinc/19/73/59/502197359.db2.gz FDDZFCIDNRNUCP-UHFFFAOYSA-N 1 1 373.432 3.062 20 5 FGBDMO Cn1cc(C[NH2+]C2(c3cccc(Br)c3)CCC2)c([N+](=O)[O-])n1 ZINC000602787201 506299340 /nfs/dbraw/zinc/29/93/40/506299340.db2.gz ITNJHUYAMUIGPK-UHFFFAOYSA-N 1 1 365.231 3.260 20 5 FGBDMO COC(=O)c1c(Cl)c(N[C@@H](C)C2=CC[N@@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000596186507 506299940 /nfs/dbraw/zinc/29/99/40/506299940.db2.gz LJHQBQQQJCDCFJ-JTQLQIEISA-N 1 1 353.806 3.097 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]([C@H](C)c2ccco2)C2CC2)cc1[N+](=O)[O-] ZINC000475575685 502216282 /nfs/dbraw/zinc/21/62/82/502216282.db2.gz POKJWCNCEYDOPK-CYBMUJFWSA-N 1 1 374.393 3.465 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+]([C@H](C)c2ccco2)C2CC2)cc1[N+](=O)[O-] ZINC000475575685 502216288 /nfs/dbraw/zinc/21/62/88/502216288.db2.gz POKJWCNCEYDOPK-CYBMUJFWSA-N 1 1 374.393 3.465 20 5 FGBDMO CCC[N@@H+](CC)CCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000472205566 502269343 /nfs/dbraw/zinc/26/93/43/502269343.db2.gz KREJTPCRPRBJJW-UHFFFAOYSA-N 1 1 362.455 3.180 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000475883263 502319601 /nfs/dbraw/zinc/31/96/01/502319601.db2.gz QYACNWICOBGYLH-UHFFFAOYSA-N 1 1 372.425 3.392 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000475883263 502319605 /nfs/dbraw/zinc/31/96/05/502319605.db2.gz QYACNWICOBGYLH-UHFFFAOYSA-N 1 1 372.425 3.392 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccc(OCC4CC4)cc3)C2)nc1 ZINC000483260442 502331806 /nfs/dbraw/zinc/33/18/06/502331806.db2.gz BRMIONHAVVLRLG-QGZVFWFLSA-N 1 1 368.437 3.465 20 5 FGBDMO Cc1ccc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000462170603 502333936 /nfs/dbraw/zinc/33/39/36/502333936.db2.gz PKJKJJZULRUMJU-YJBOKZPZSA-N 1 1 353.422 3.154 20 5 FGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000602807715 506306999 /nfs/dbraw/zinc/30/69/99/506306999.db2.gz KBXQBWKHBIFHQH-IRXDYDNUSA-N 1 1 362.405 3.091 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000462236645 502363374 /nfs/dbraw/zinc/36/33/74/502363374.db2.gz IDXKJQRNHNRSBT-KSSFIOAISA-N 1 1 354.410 3.237 20 5 FGBDMO Cc1c(CNC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000479776495 502375386 /nfs/dbraw/zinc/37/53/86/502375386.db2.gz ZXRYCFCHGFSYPV-WBVHZDCISA-N 1 1 374.485 3.355 20 5 FGBDMO C[N@H+](Cc1ccccc1)C[C@H](O)Cn1cnc2cc3ccccc3cc2c1=O ZINC000588687587 506309441 /nfs/dbraw/zinc/30/94/41/506309441.db2.gz MUIIMYTWHXHXON-FQEVSTJZSA-N 1 1 373.456 3.043 20 5 FGBDMO CCn1nc(C)c([N+](=O)[O-])c1NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000479913584 502417909 /nfs/dbraw/zinc/41/79/09/502417909.db2.gz MISXOWIANIEGDO-UHFFFAOYSA-N 1 1 357.458 3.368 20 5 FGBDMO COc1ccccc1C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000479955840 502430006 /nfs/dbraw/zinc/43/00/06/502430006.db2.gz GIMLARLJHZVMTO-MRXNPFEDSA-N 1 1 369.421 3.249 20 5 FGBDMO COc1ccccc1C[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000479955840 502430009 /nfs/dbraw/zinc/43/00/09/502430009.db2.gz GIMLARLJHZVMTO-MRXNPFEDSA-N 1 1 369.421 3.249 20 5 FGBDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000469508994 502446135 /nfs/dbraw/zinc/44/61/35/502446135.db2.gz SDQPJAKVJDKABM-IBGZPJMESA-N 1 1 369.465 3.410 20 5 FGBDMO O=[N+]([O-])c1cncc(Cl)c1N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000596220848 506317456 /nfs/dbraw/zinc/31/74/56/506317456.db2.gz CQFNZRQGAZDXFA-GASCZTMLSA-N 1 1 358.829 3.211 20 5 FGBDMO COc1ccc(NC(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)cc1[N+](=O)[O-] ZINC000483936364 502525247 /nfs/dbraw/zinc/52/52/47/502525247.db2.gz ZMVWENOYJOGVKO-OAHLLOKOSA-N 1 1 364.446 3.235 20 5 FGBDMO Cc1nn2c(C[NH2+]Cc3ccc([N+](=O)[O-])cc3Cl)c(C)nc2s1 ZINC000466452623 502575045 /nfs/dbraw/zinc/57/50/45/502575045.db2.gz CWYGKXXZGPJKID-UHFFFAOYSA-N 1 1 351.819 3.259 20 5 FGBDMO Cn1cc(C[NH2+][C@H](c2ccccc2)C2(CO)CCCCC2)c([N+](=O)[O-])n1 ZINC000602844410 506323822 /nfs/dbraw/zinc/32/38/22/506323822.db2.gz OZXXQZXVQNYSMP-QGZVFWFLSA-N 1 1 358.442 3.102 20 5 FGBDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNc1ccc([N+](=O)[O-])cn1 ZINC000462883639 502613614 /nfs/dbraw/zinc/61/36/14/502613614.db2.gz LETURHGWKARGKC-UHFFFAOYSA-N 1 1 352.394 3.249 20 5 FGBDMO O=[N+]([O-])c1cnc2ccccc2c1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000488057719 502614917 /nfs/dbraw/zinc/61/49/17/502614917.db2.gz OFUJLYZOPJISBU-UHFFFAOYSA-N 1 1 364.405 3.171 20 5 FGBDMO CNc1c(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000462937415 502633895 /nfs/dbraw/zinc/63/38/95/502633895.db2.gz BXPZMHRKAIAGSH-UHFFFAOYSA-N 1 1 374.485 3.365 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cc4ccc(F)cc4[nH]3)C2)nc1 ZINC000488329875 502685381 /nfs/dbraw/zinc/68/53/81/502685381.db2.gz PKJAKCHGDMXDRO-CQSZACIVSA-N 1 1 355.373 3.297 20 5 FGBDMO Cc1ccc([C@@H]2CCC[N@H+]2C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000484632315 502689981 /nfs/dbraw/zinc/68/99/81/502689981.db2.gz YHEAKSFSMBMYBR-ICSRJNTNSA-N 1 1 356.422 3.480 20 5 FGBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488714707 502787944 /nfs/dbraw/zinc/78/79/44/502787944.db2.gz FYZWOVKBYONPEF-TUAOUCFPSA-N 1 1 358.364 3.175 20 5 FGBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488714706 502788320 /nfs/dbraw/zinc/78/83/20/502788320.db2.gz FYZWOVKBYONPEF-SRVKXCTJSA-N 1 1 358.364 3.175 20 5 FGBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000488738365 502797027 /nfs/dbraw/zinc/79/70/27/502797027.db2.gz YUHPCEZORPGMPK-CYBMUJFWSA-N 1 1 361.442 3.000 20 5 FGBDMO O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000513102016 502851990 /nfs/dbraw/zinc/85/19/90/502851990.db2.gz VZROEQCRIIKIPW-SFHVURJKSA-N 1 1 353.422 3.379 20 5 FGBDMO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000513102016 502851994 /nfs/dbraw/zinc/85/19/94/502851994.db2.gz VZROEQCRIIKIPW-SFHVURJKSA-N 1 1 353.422 3.379 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000505527753 502927378 /nfs/dbraw/zinc/92/73/78/502927378.db2.gz MHYXXRWJTUBNQS-GOSISDBHSA-N 1 1 363.483 3.265 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000489356057 502936877 /nfs/dbraw/zinc/93/68/77/502936877.db2.gz UTPWRZIBKZFVMK-BMFZPTHFSA-N 1 1 362.474 3.384 20 5 FGBDMO CCc1ccc([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC[NH2+]2)cc1 ZINC000505572023 502938721 /nfs/dbraw/zinc/93/87/21/502938721.db2.gz GNPJDBCTRQOIHJ-SFHVURJKSA-N 1 1 357.385 3.083 20 5 FGBDMO C[C@@H](CC[NH+]1CCOCC1)NC(=O)c1cc2ccccc2c2cccnc12 ZINC000509938352 503015508 /nfs/dbraw/zinc/01/55/08/503015508.db2.gz PEYBLSKHCJCKKV-INIZCTEOSA-N 1 1 363.461 3.229 20 5 FGBDMO Cc1cncc(CC[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)n1 ZINC000593035709 506351165 /nfs/dbraw/zinc/35/11/65/506351165.db2.gz RUUBGGSCZGBGIX-WGSAOQKQSA-N 1 1 370.453 3.041 20 5 FGBDMO C[N@H+]1CCCC[C@H](CNC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000599156944 506351838 /nfs/dbraw/zinc/35/18/38/506351838.db2.gz LLXMYOCAXRPVQP-SJLPKXTDSA-N 1 1 374.485 3.216 20 5 FGBDMO CC[N@H+]1C[C@H](C)N(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000498251181 503141928 /nfs/dbraw/zinc/14/19/28/503141928.db2.gz KSVGTPHFMUBQDL-HOTGVXAUSA-N 1 1 362.474 3.042 20 5 FGBDMO Cc1ccc(OC[C@@H](O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000511061289 503245070 /nfs/dbraw/zinc/24/50/70/503245070.db2.gz XVLQQDJXAOSWFQ-SFHVURJKSA-N 1 1 358.438 3.126 20 5 FGBDMO Cc1ccccc1C[C@H](C)NC(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511094488 503253254 /nfs/dbraw/zinc/25/32/54/503253254.db2.gz HHJMAWALNRJYJA-KRWDZBQOSA-N 1 1 369.465 3.125 20 5 FGBDMO Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511094488 503253255 /nfs/dbraw/zinc/25/32/55/503253255.db2.gz HHJMAWALNRJYJA-KRWDZBQOSA-N 1 1 369.465 3.125 20 5 FGBDMO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511139758 503267252 /nfs/dbraw/zinc/26/72/52/503267252.db2.gz IHRKYGVQGWXUPQ-LSDHHAIUSA-N 1 1 373.428 3.474 20 5 FGBDMO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511139758 503267257 /nfs/dbraw/zinc/26/72/57/503267257.db2.gz IHRKYGVQGWXUPQ-LSDHHAIUSA-N 1 1 373.428 3.474 20 5 FGBDMO O=[N+]([O-])c1cccc(C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)c1 ZINC000492256303 503361005 /nfs/dbraw/zinc/36/10/05/503361005.db2.gz GIZMNGNRYIOXMJ-HNNXBMFYSA-N 1 1 369.190 3.320 20 5 FGBDMO COC(=O)[C@]1(C)C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@H]1C ZINC000503236116 503374308 /nfs/dbraw/zinc/37/43/08/503374308.db2.gz WTWPLEYACKWQHZ-FZKQIMNGSA-N 1 1 350.415 3.013 20 5 FGBDMO CCOc1cc(C[N@@H+]2C[C@@H](CC)N(C(C)=O)C[C@H]2CC)ccc1[N+](=O)[O-] ZINC000492647118 503378772 /nfs/dbraw/zinc/37/87/72/503378772.db2.gz CSHXXAUNIIKOFY-IAGOWNOFSA-N 1 1 363.458 3.215 20 5 FGBDMO CCOc1cc(C[N@H+]2C[C@@H](CC)N(C(C)=O)C[C@H]2CC)ccc1[N+](=O)[O-] ZINC000492647118 503378773 /nfs/dbraw/zinc/37/87/73/503378773.db2.gz CSHXXAUNIIKOFY-IAGOWNOFSA-N 1 1 363.458 3.215 20 5 FGBDMO CC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccccc1F ZINC000593062539 506368784 /nfs/dbraw/zinc/36/87/84/506368784.db2.gz CUHSWWXWKVVFQW-HNNXBMFYSA-N 1 1 361.373 3.422 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000499423469 503399961 /nfs/dbraw/zinc/39/99/61/503399961.db2.gz PMPWOTUKTYMMFM-IRXDYDNUSA-N 1 1 367.449 3.259 20 5 FGBDMO C[C@@H]1C[C@]1([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000503435479 503408640 /nfs/dbraw/zinc/40/86/40/503408640.db2.gz MLCLBDVUFQLQGM-ADLMAVQZSA-N 1 1 359.813 3.372 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000511895788 503409973 /nfs/dbraw/zinc/40/99/73/503409973.db2.gz LZGRUMJXSRDHLC-QRVBRYPASA-N 1 1 353.422 3.025 20 5 FGBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000499668473 503453795 /nfs/dbraw/zinc/45/37/95/503453795.db2.gz KBUSGXXWIVMJLE-MRXNPFEDSA-N 1 1 360.458 3.163 20 5 FGBDMO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000494047586 503479441 /nfs/dbraw/zinc/47/94/41/503479441.db2.gz JAOXRJZCYBMTOS-MAUKXSAKSA-N 1 1 353.422 3.296 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC000500109412 503556073 /nfs/dbraw/zinc/55/60/73/503556073.db2.gz CMMRPCOWOJYCKP-CHWSQXEVSA-N 1 1 351.472 3.262 20 5 FGBDMO CN(C)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cc[nH+]1 ZINC000500436351 503624933 /nfs/dbraw/zinc/62/49/33/503624933.db2.gz MQIAPMCLYSSMGZ-UHFFFAOYSA-N 1 1 365.187 3.071 20 5 FGBDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000500443020 503626041 /nfs/dbraw/zinc/62/60/41/503626041.db2.gz SGEXYCIXTDYMRZ-LSDHHAIUSA-N 1 1 371.412 3.469 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000500443020 503626044 /nfs/dbraw/zinc/62/60/44/503626044.db2.gz SGEXYCIXTDYMRZ-LSDHHAIUSA-N 1 1 371.412 3.469 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000517134740 503653218 /nfs/dbraw/zinc/65/32/18/503653218.db2.gz RWKFIUSJQANLES-KSSFIOAISA-N 1 1 355.394 3.075 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000517134740 503653224 /nfs/dbraw/zinc/65/32/24/503653224.db2.gz RWKFIUSJQANLES-KSSFIOAISA-N 1 1 355.394 3.075 20 5 FGBDMO Cc1cccc([C@H]2CC[N@H+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000543247001 503697578 /nfs/dbraw/zinc/69/75/78/503697578.db2.gz ITNALRJOOVAOHS-KRWDZBQOSA-N 1 1 353.422 3.356 20 5 FGBDMO CCCc1[nH]nc(C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)c1[N+](=O)[O-] ZINC000540427876 503768662 /nfs/dbraw/zinc/76/86/62/503768662.db2.gz CFFMDMSLDJPEMU-UHFFFAOYSA-N 1 1 371.441 3.159 20 5 FGBDMO C[C@@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C)C1 ZINC000517599974 503781525 /nfs/dbraw/zinc/78/15/25/503781525.db2.gz SRQFAWHZDADJMA-GJYPPUQNSA-N 1 1 371.485 3.128 20 5 FGBDMO C[C@@H](C[N@@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccccc1 ZINC000533262997 503782851 /nfs/dbraw/zinc/78/28/51/503782851.db2.gz CLGUQMNZUKMHQI-KXBFYZLASA-N 1 1 353.422 3.436 20 5 FGBDMO C[C@@H]1CC[N@H+](CC(=O)Nc2cc(N3CC[C@H](C)[C@H]3C)ccc2[N+](=O)[O-])[C@@H]1C ZINC000533311013 503803411 /nfs/dbraw/zinc/80/34/11/503803411.db2.gz XITYDYYXJMUGQG-QKPAOTATSA-N 1 1 374.485 3.498 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@H]3C3CCOCC3)n2)c1 ZINC000540824857 503905501 /nfs/dbraw/zinc/90/55/01/503905501.db2.gz JBKSBBBZQUNEBJ-INIZCTEOSA-N 1 1 358.398 3.036 20 5 FGBDMO COc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000543892131 503930358 /nfs/dbraw/zinc/93/03/58/503930358.db2.gz NPXXIDQIBBYGFX-CQSZACIVSA-N 1 1 364.446 3.093 20 5 FGBDMO Cc1ccc([C@@H]2CC[N@@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)cc1 ZINC000544189301 504041416 /nfs/dbraw/zinc/04/14/16/504041416.db2.gz HPJPPJQPVCTIJP-GOSISDBHSA-N 1 1 365.433 3.282 20 5 FGBDMO C[C@H]1CCC[C@H](C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 ZINC000537807501 504047688 /nfs/dbraw/zinc/04/76/88/504047688.db2.gz DBSKQHLTPONWDJ-KBPBESRZSA-N 1 1 351.472 3.240 20 5 FGBDMO CCc1ccc([C@H]([NH2+][C@@H]2CCC[C@H]2C(=O)NC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541566627 504179646 /nfs/dbraw/zinc/17/96/46/504179646.db2.gz WIZGDESNMAVERW-ZHALLVOQSA-N 1 1 371.437 3.344 20 5 FGBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC[N@H+]1CC(C)(C)O ZINC000547709031 504195485 /nfs/dbraw/zinc/19/54/85/504195485.db2.gz IZYDJGNRNRTSFA-CQSZACIVSA-N 1 1 365.474 3.054 20 5 FGBDMO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1noc(Cc2ccccc2)n1 ZINC000541692278 504223901 /nfs/dbraw/zinc/22/39/01/504223901.db2.gz UFAWKRXHJRAJHZ-CQSZACIVSA-N 1 1 352.394 3.462 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000538427661 504244785 /nfs/dbraw/zinc/24/47/85/504244785.db2.gz HZTLLXYGPUNWMR-JKSUJKDBSA-N 1 1 363.458 3.003 20 5 FGBDMO Cc1cccc(C[NH+]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)CC2)c1 ZINC000541783403 504253139 /nfs/dbraw/zinc/25/31/39/504253139.db2.gz UCQCTTMXKCVJPD-UHFFFAOYSA-N 1 1 372.400 3.392 20 5 FGBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc2ccccc2c1 ZINC000534869867 504266488 /nfs/dbraw/zinc/26/64/88/504266488.db2.gz UYTOWZHBBJXONY-UHFFFAOYSA-N 1 1 351.406 3.432 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000542277129 504435438 /nfs/dbraw/zinc/43/54/38/504435438.db2.gz KCWYFYHLDWTCCC-RBUKOAKNSA-N 1 1 370.449 3.432 20 5 FGBDMO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](CC)CCn1cc([N+](=O)[O-])ccc1=O ZINC000535582905 504477288 /nfs/dbraw/zinc/47/72/88/504477288.db2.gz MXYUWOTVIHYKIV-SFHVURJKSA-N 1 1 357.454 3.408 20 5 FGBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000535734293 504524842 /nfs/dbraw/zinc/52/48/42/504524842.db2.gz IOXKBNKLAWFAOQ-UHFFFAOYSA-N 1 1 370.453 3.335 20 5 FGBDMO CCC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CC[N@H+]1Cc1ccccc1 ZINC000539428178 504567880 /nfs/dbraw/zinc/56/78/80/504567880.db2.gz GKHCSYVBVUOBIQ-QGZVFWFLSA-N 1 1 370.453 3.060 20 5 FGBDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000536047636 504617955 /nfs/dbraw/zinc/61/79/55/504617955.db2.gz KXEHRHBIABPMIE-SFHVURJKSA-N 1 1 368.437 3.316 20 5 FGBDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000536047636 504617961 /nfs/dbraw/zinc/61/79/61/504617961.db2.gz KXEHRHBIABPMIE-SFHVURJKSA-N 1 1 368.437 3.316 20 5 FGBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000539674012 504648833 /nfs/dbraw/zinc/64/88/33/504648833.db2.gz SDBVRHJCHCMFAA-CYBMUJFWSA-N 1 1 351.472 3.263 20 5 FGBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000539674012 504648838 /nfs/dbraw/zinc/64/88/38/504648838.db2.gz SDBVRHJCHCMFAA-CYBMUJFWSA-N 1 1 351.472 3.263 20 5 FGBDMO CC(C)C[N@H+](Cc1ccccc1F)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000532499254 504671543 /nfs/dbraw/zinc/67/15/43/504671543.db2.gz XIEKHXQJLRRFOW-UHFFFAOYSA-N 1 1 359.401 3.491 20 5 FGBDMO CC(C)C[N@@H+](Cc1ccccc1F)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000532499254 504671545 /nfs/dbraw/zinc/67/15/45/504671545.db2.gz XIEKHXQJLRRFOW-UHFFFAOYSA-N 1 1 359.401 3.491 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@H]1c1ccccc1 ZINC000536263000 504682641 /nfs/dbraw/zinc/68/26/41/504682641.db2.gz JEXOJGPTIZCRMH-PKOBYXMFSA-N 1 1 364.405 3.251 20 5 FGBDMO CCO[C@H]1C[C@H]([N@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000532576087 504697544 /nfs/dbraw/zinc/69/75/44/504697544.db2.gz URFRBWAPJVCREX-GJZGRUSLSA-N 1 1 369.849 3.322 20 5 FGBDMO 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CCC[N@@H+](CC)C[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599836592 506668488 /nfs/dbraw/zinc/66/84/88/506668488.db2.gz UZYVNGFBSAXSBW-ZDUSSCGKSA-N 1 1 359.430 3.385 20 5 FGBDMO Cc1ccc2cc(C[NH+]3CCN(c4ccc([N+](=O)[O-])nc4)CC3)[nH]c2c1 ZINC000596978994 506709447 /nfs/dbraw/zinc/70/94/47/506709447.db2.gz CSCCSXDCVQQGBS-UHFFFAOYSA-N 1 1 351.410 3.102 20 5 FGBDMO CCCNC(=O)[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000590156528 506751140 /nfs/dbraw/zinc/75/11/40/506751140.db2.gz UNMOGPMJPWEJSV-LBPRGKRZSA-N 1 1 373.375 3.352 20 5 FGBDMO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000590156528 506751149 /nfs/dbraw/zinc/75/11/49/506751149.db2.gz UNMOGPMJPWEJSV-LBPRGKRZSA-N 1 1 373.375 3.352 20 5 FGBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000604440525 506834057 /nfs/dbraw/zinc/83/40/57/506834057.db2.gz IMORKONNZVLNPN-HOTGVXAUSA-N 1 1 362.474 3.024 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 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/nfs/dbraw/zinc/89/89/37/506898937.db2.gz MXVDXCFRYFRUIM-RDTXWAMCSA-N 1 1 372.421 3.138 20 5 FGBDMO C[N@H+]1CCCC[C@H](CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000600311167 506898913 /nfs/dbraw/zinc/89/89/13/506898913.db2.gz ADNCCBJYOWVBEC-GFCCVEGCSA-N 1 1 371.890 3.188 20 5 FGBDMO COc1ccc(C[N@H+]2CCCN(c3cc(OC)ccc3[N+](=O)[O-])CC2)cc1 ZINC000609495173 506899398 /nfs/dbraw/zinc/89/93/98/506899398.db2.gz JNKNMUOGOAZMAQ-UHFFFAOYSA-N 1 1 371.437 3.324 20 5 FGBDMO COc1cccc2c1C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC2 ZINC000590759936 506941367 /nfs/dbraw/zinc/94/13/67/506941367.db2.gz VFJJFCYOZBOAPI-UHFFFAOYSA-N 1 1 369.421 3.299 20 5 FGBDMO Cc1cccc(C[N@@H+](C)CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)c1 ZINC000609766478 506993032 /nfs/dbraw/zinc/99/30/32/506993032.db2.gz SCAZLPGHBUZSPU-UHFFFAOYSA-N 1 1 355.394 3.333 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594196776 507001349 /nfs/dbraw/zinc/00/13/49/507001349.db2.gz MNGRRQJRGJQDRC-NEWSRXKRSA-N 1 1 359.470 3.297 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000609916218 507048602 /nfs/dbraw/zinc/04/86/02/507048602.db2.gz KRJJQBQORMJOLN-KRWDZBQOSA-N 1 1 355.438 3.180 20 5 FGBDMO CC1CCN(c2ccc(C(=O)N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2[N+](=O)[O-])CC1 ZINC000610208514 507137734 /nfs/dbraw/zinc/13/77/34/507137734.db2.gz BELSAVGZTZRSMB-DOTOQJQBSA-N 1 1 374.485 3.044 20 5 FGBDMO Cc1[nH+]c(N2CCOCC2)ccc1N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594504922 507159743 /nfs/dbraw/zinc/15/97/43/507159743.db2.gz OOANLVDAXKCUOZ-KRWDZBQOSA-N 1 1 354.410 3.234 20 5 FGBDMO Cc1cnc(CC[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000594509348 507161824 /nfs/dbraw/zinc/16/18/24/507161824.db2.gz HTKNHEYSYABBQT-IBGZPJMESA-N 1 1 365.437 3.262 20 5 FGBDMO O=C1C[C@H]([NH+]2CCC(C3CCCC3)CC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000610259242 507165400 /nfs/dbraw/zinc/16/54/00/507165400.db2.gz BTRRBQIQJQUKQH-SFHVURJKSA-N 1 1 371.437 3.129 20 5 FGBDMO 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ZINC000598195897 507307863 /nfs/dbraw/zinc/30/78/63/507307863.db2.gz WAKPXUVHJIIQKI-IBGZPJMESA-N 1 1 367.449 3.292 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)c1 ZINC000598195413 507308087 /nfs/dbraw/zinc/30/80/87/507308087.db2.gz MWAOHXMSAACVGN-SFHVURJKSA-N 1 1 367.449 3.292 20 5 FGBDMO CNC(=O)C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)c1ccccc1 ZINC000595053687 507369741 /nfs/dbraw/zinc/36/97/41/507369741.db2.gz LAPFVSUMOVBOOS-GUYCJALGSA-N 1 1 357.410 3.131 20 5 FGBDMO O=[N+]([O-])c1cnccc1N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000610807981 507398499 /nfs/dbraw/zinc/39/84/99/507398499.db2.gz CUBQVZZIODSPPM-ROUUACIJSA-N 1 1 352.438 3.481 20 5 FGBDMO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000610846081 507412241 /nfs/dbraw/zinc/41/22/41/507412241.db2.gz JPZDLKCVXNVGGD-IAGOWNOFSA-N 1 1 364.442 3.487 20 5 FGBDMO Cc1noc(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595341534 507465683 /nfs/dbraw/zinc/46/56/83/507465683.db2.gz CEKCASPLQUFWSP-YOEHRIQHSA-N 1 1 358.442 3.376 20 5 FGBDMO O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000598510169 507466743 /nfs/dbraw/zinc/46/67/43/507466743.db2.gz NVBRVOHSJGBZTM-OAHLLOKOSA-N 1 1 359.813 3.253 20 5 FGBDMO O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000598510169 507466750 /nfs/dbraw/zinc/46/67/50/507466750.db2.gz NVBRVOHSJGBZTM-OAHLLOKOSA-N 1 1 359.813 3.253 20 5 FGBDMO O=C(C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000592134975 507498719 /nfs/dbraw/zinc/49/87/19/507498719.db2.gz XMCHLEYRVAXQJV-MLGOLLRUSA-N 1 1 367.833 3.078 20 5 FGBDMO O=C(C[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000592134975 507498723 /nfs/dbraw/zinc/49/87/23/507498723.db2.gz XMCHLEYRVAXQJV-MLGOLLRUSA-N 1 1 367.833 3.078 20 5 FGBDMO Cc1c(C[N@H+]2CC[C@@H](C(=O)NCc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000592154666 507511089 /nfs/dbraw/zinc/51/10/89/507511089.db2.gz ICOVXRNHBJFSCH-GOSISDBHSA-N 1 1 353.422 3.042 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H](C(F)F)C1CCCCC1 ZINC000598647362 507531701 /nfs/dbraw/zinc/53/17/01/507531701.db2.gz AIFNNNFDACWIBJ-CJNGLKHVSA-N 1 1 358.385 3.138 20 5 FGBDMO O=C(CC[N@H+]1CCC[C@@H](c2ccccn2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595502451 507531863 /nfs/dbraw/zinc/53/18/63/507531863.db2.gz USXFOIVURLPRTJ-OAHLLOKOSA-N 1 1 354.410 3.198 20 5 FGBDMO CC[N@H+]1CCCN(Cc2ccc(Br)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000595536736 507548764 /nfs/dbraw/zinc/54/87/64/507548764.db2.gz UONQGVQHBASBNI-GFCCVEGCSA-N 1 1 356.264 3.273 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000611185430 507552266 /nfs/dbraw/zinc/55/22/66/507552266.db2.gz VGECEDFTBPAMDH-INIZCTEOSA-N 1 1 366.421 3.117 20 5 FGBDMO Cc1noc(CN2C[C@H](C)[N@H+](Cc3ccccc3)[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000595557305 507559195 /nfs/dbraw/zinc/55/91/95/507559195.db2.gz GMQPRALFGCLBNH-BPUTZDHNSA-N 1 1 358.442 3.375 20 5 FGBDMO C[N@H+](CCCOc1ccccc1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611260469 507587419 /nfs/dbraw/zinc/58/74/19/507587419.db2.gz VOHDBQQSCKBJTF-UHFFFAOYSA-N 1 1 358.394 3.267 20 5 FGBDMO C[N@@H+](CCCOc1ccccc1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611260469 507587427 /nfs/dbraw/zinc/58/74/27/507587427.db2.gz VOHDBQQSCKBJTF-UHFFFAOYSA-N 1 1 358.394 3.267 20 5 FGBDMO Cn1cc(C[N@H+]2CCC[C@H](n3ccnc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611268133 507591851 /nfs/dbraw/zinc/59/18/51/507591851.db2.gz QNQBACKXKBJPBP-SFHVURJKSA-N 1 1 366.425 3.029 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@H](c3cccc(F)c3)C1)OCCO2 ZINC000611268920 507594077 /nfs/dbraw/zinc/59/40/77/507594077.db2.gz FYJAULYZXRGAQT-AWEZNQCLSA-N 1 1 358.369 3.495 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@H](c3ccccc3F)C1)OCCO2 ZINC000611271130 507595234 /nfs/dbraw/zinc/59/52/34/507595234.db2.gz ISVDEPUSYHZDLW-ZDUSSCGKSA-N 1 1 358.369 3.495 20 5 FGBDMO COc1ccccc1[C@@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611273679 507599131 /nfs/dbraw/zinc/59/91/31/507599131.db2.gz OOTJWAXWANQSKP-CQSZACIVSA-N 1 1 370.405 3.364 20 5 FGBDMO COc1ccc(OCC[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000611350171 507636364 /nfs/dbraw/zinc/63/63/64/507636364.db2.gz DGUGGHSJRGOSRV-HOTGVXAUSA-N 1 1 364.442 3.121 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000614740627 507640868 /nfs/dbraw/zinc/64/08/68/507640868.db2.gz HFPIPIGFPDQHLR-MRXNPFEDSA-N 1 1 356.426 3.126 20 5 FGBDMO NC(=O)CC[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602452811 507714836 /nfs/dbraw/zinc/71/48/36/507714836.db2.gz JEMOUCAQYMWHGZ-LLVKDONJSA-N 1 1 359.348 3.091 20 5 FGBDMO COc1cc(C[N@H+](C)Cc2ccc(C(=O)NC3CC3)cc2)ccc1[N+](=O)[O-] ZINC000611516584 507716263 /nfs/dbraw/zinc/71/62/63/507716263.db2.gz UUKAIDZSAJSMPG-UHFFFAOYSA-N 1 1 369.421 3.128 20 5 FGBDMO COc1cc(C[N@@H+](C)Cc2ccc(C(=O)NC3CC3)cc2)ccc1[N+](=O)[O-] ZINC000611516584 507716271 /nfs/dbraw/zinc/71/62/71/507716271.db2.gz 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CN(C[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1)C(=O)OC(C)(C)C ZINC000170917574 705366027 /nfs/dbraw/zinc/36/60/27/705366027.db2.gz NGACAJCDMVPUEU-LBPRGKRZSA-N 1 1 355.460 3.345 20 5 FGBDMO CN(C[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1)C(=O)OC(C)(C)C ZINC000170917574 705366030 /nfs/dbraw/zinc/36/60/30/705366030.db2.gz NGACAJCDMVPUEU-LBPRGKRZSA-N 1 1 355.460 3.345 20 5 FGBDMO O=C1CCCCN1CC1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000174866634 705523076 /nfs/dbraw/zinc/52/30/76/705523076.db2.gz BVOSGVIBVIQWKU-UHFFFAOYSA-N 1 1 365.861 3.473 20 5 FGBDMO CC[N@@H+]1CCc2nc(NC(=O)c3cc(F)cc(C)c3[N+](=O)[O-])sc2C1 ZINC000176721920 705588048 /nfs/dbraw/zinc/58/80/48/705588048.db2.gz NTSXLKJPZSDVEP-UHFFFAOYSA-N 1 1 364.402 3.129 20 5 FGBDMO CC[N@H+]1CCc2nc(NC(=O)c3cc(F)cc(C)c3[N+](=O)[O-])sc2C1 ZINC000176721920 705588049 /nfs/dbraw/zinc/58/80/49/705588049.db2.gz NTSXLKJPZSDVEP-UHFFFAOYSA-N 1 1 364.402 3.129 20 5 FGBDMO Cc1nsc(N2CCC[N@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)n1 ZINC000182815056 705863064 /nfs/dbraw/zinc/86/30/64/705863064.db2.gz GHLXWWOPBDUBPT-CYBMUJFWSA-N 1 1 361.471 3.336 20 5 FGBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000619566992 714853695 /nfs/dbraw/zinc/85/36/95/714853695.db2.gz GINYGUHCWMGGSY-UONOGXRCSA-N 1 1 351.472 3.018 20 5 FGBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000749927120 722748001 /nfs/dbraw/zinc/74/80/01/722748001.db2.gz QMZHIFOOYKUFFI-GFCCVEGCSA-N 1 1 353.850 3.489 20 5 FGBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000769517019 723688639 /nfs/dbraw/zinc/68/86/39/723688639.db2.gz YGTISXKMJXFPPY-VXGBXAGGSA-N 1 1 355.232 3.216 20 5 FGBDMO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000782076391 724626459 /nfs/dbraw/zinc/62/64/59/724626459.db2.gz ZSMDEULCBWQLCX-CQSZACIVSA-N 1 1 369.190 3.320 20 5 FGBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000732575511 722486177 /nfs/dbraw/zinc/48/61/77/722486177.db2.gz GHISPZDGSQIYCP-LBPRGKRZSA-N 1 1 353.850 3.489 20 5 FGBDMO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)OCc1cc([N+](=O)[O-])ccc1Cl ZINC000754507725 722940417 /nfs/dbraw/zinc/94/04/17/722940417.db2.gz DYIZISMYMQZYFA-INIZCTEOSA-N 1 1 370.833 3.085 20 5 FGBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@@H](O)c1ccc(Cl)c(F)c1)C2 ZINC000759847978 723024503 /nfs/dbraw/zinc/02/45/03/723024503.db2.gz DMVFIEASANPBLL-QGZVFWFLSA-N 1 1 350.777 3.479 20 5 FGBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@@H](O)c1ccc(Cl)c(F)c1)C2 ZINC000759847978 723024505 /nfs/dbraw/zinc/02/45/05/723024505.db2.gz DMVFIEASANPBLL-QGZVFWFLSA-N 1 1 350.777 3.479 20 5 FGBDMO Cn1cc([C@@H](O)C[C@H]2CCC[N@H+]2Cc2cc(Cl)ccc2[N+](=O)[O-])cn1 ZINC000766962037 723601750 /nfs/dbraw/zinc/60/17/50/723601750.db2.gz QHZVFJUQJNXWEB-WBVHZDCISA-N 1 1 364.833 3.070 20 5 FGBDMO CN(CCC[N@@H+](C)CCc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000796115183 723622288 /nfs/dbraw/zinc/62/22/88/723622288.db2.gz NBFWGMFIXIAOGP-UHFFFAOYSA-N 1 1 351.447 3.326 20 5 FGBDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000796386750 723635889 /nfs/dbraw/zinc/63/58/89/723635889.db2.gz VOKRZZIMXVKBIT-OCCSQVGLSA-N 1 1 369.849 3.202 20 5 FGBDMO CO[C@@]1(C)CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000796507124 723640902 /nfs/dbraw/zinc/64/09/02/723640902.db2.gz CVMOHPMJROLYSV-INIZCTEOSA-N 1 1 355.822 3.078 20 5 FGBDMO CO[C@@]1(C)CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000796507124 723640903 /nfs/dbraw/zinc/64/09/03/723640903.db2.gz CVMOHPMJROLYSV-INIZCTEOSA-N 1 1 355.822 3.078 20 5 FGBDMO CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000769390192 723684116 /nfs/dbraw/zinc/68/41/16/723684116.db2.gz WDWDVJYLJPLYNN-GJZGRUSLSA-N 1 1 357.248 3.483 20 5 FGBDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000769390192 723684117 /nfs/dbraw/zinc/68/41/17/723684117.db2.gz WDWDVJYLJPLYNN-GJZGRUSLSA-N 1 1 357.248 3.483 20 5 FGBDMO O=[N+]([O-])c1cc2cnn(C[N@@H+](C[C@@H]3CCOC3)C3CC3)c2c(Cl)c1 ZINC000774633786 723912260 /nfs/dbraw/zinc/91/22/60/723912260.db2.gz CDPLYVAFVRZWKN-NSHDSACASA-N 1 1 350.806 3.056 20 5 FGBDMO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CCC[C@H]4COCC[C@@H]43)c2c(Cl)c1 ZINC000774637542 723912691 /nfs/dbraw/zinc/91/26/91/723912691.db2.gz NYXRYLIHHGTVHC-NHYWBVRUSA-N 1 1 350.806 3.056 20 5 FGBDMO O=[N+]([O-])c1cc2cnn(C[N@H+]3CCC[C@H]4COCC[C@@H]43)c2c(Cl)c1 ZINC000774637542 723912694 /nfs/dbraw/zinc/91/26/94/723912694.db2.gz NYXRYLIHHGTVHC-NHYWBVRUSA-N 1 1 350.806 3.056 20 5 FGBDMO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000775629496 724012299 /nfs/dbraw/zinc/01/22/99/724012299.db2.gz FOSRUAUNICTXKV-LBPRGKRZSA-N 1 1 368.842 3.200 20 5 FGBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000777524169 724234485 /nfs/dbraw/zinc/23/44/85/724234485.db2.gz SMJIVTZHWJHUNG-ZDUSSCGKSA-N 1 1 351.472 3.263 20 5 FGBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000777524169 724234489 /nfs/dbraw/zinc/23/44/89/724234489.db2.gz SMJIVTZHWJHUNG-ZDUSSCGKSA-N 1 1 351.472 3.263 20 5 FGBDMO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000801572409 724315383 /nfs/dbraw/zinc/31/53/83/724315383.db2.gz HHWHIGGYUFHHOK-MRXNPFEDSA-N 1 1 355.460 3.393 20 5 FGBDMO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000801572409 724315384 /nfs/dbraw/zinc/31/53/84/724315384.db2.gz HHWHIGGYUFHHOK-MRXNPFEDSA-N 1 1 355.460 3.393 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000778287396 724318609 /nfs/dbraw/zinc/31/86/09/724318609.db2.gz KBRDYMWELGTFNQ-SWLSCSKDSA-N 1 1 355.385 3.018 20 5 FGBDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000785986782 724953408 /nfs/dbraw/zinc/95/34/08/724953408.db2.gz DGAOLCFVMOZNLT-JTNHKYCSSA-N 1 1 357.248 3.339 20 5 FGBDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000785986782 724953411 /nfs/dbraw/zinc/95/34/11/724953411.db2.gz DGAOLCFVMOZNLT-JTNHKYCSSA-N 1 1 357.248 3.339 20 5 FGBDMO CCCCSCC(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173361 726846170 /nfs/dbraw/zinc/84/61/70/726846170.db2.gz AHSSLINHOIYCNC-INIZCTEOSA-N 1 1 352.456 3.246 20 5 FGBDMO CCCCSCC(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173361 726846176 /nfs/dbraw/zinc/84/61/76/726846176.db2.gz AHSSLINHOIYCNC-INIZCTEOSA-N 1 1 352.456 3.246 20 5 FGBDMO C[C@@H]1Cc2[nH+]cn(CC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2C[C@H]1C ZINC000829812549 729513972 /nfs/dbraw/zinc/51/39/72/729513972.db2.gz YUAPQKUSHDPXCE-GHMZBOCLSA-N 1 1 362.817 3.454 20 5 FGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000835598660 729904734 /nfs/dbraw/zinc/90/47/34/729904734.db2.gz QAWOFAQJJIVYBF-WPXLMEDKSA-N 1 1 364.467 3.491 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@@H]1COC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000845731064 730888673 /nfs/dbraw/zinc/88/86/73/730888673.db2.gz LRWUOSKLWJJYFK-LLVKDONJSA-N 1 1 358.341 3.226 20 5 FGBDMO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000847100274 731021185 /nfs/dbraw/zinc/02/11/85/731021185.db2.gz IKOWTDNOSWJCRL-KBPBESRZSA-N 1 1 352.822 3.387 20 5 FGBDMO C[C@H]1CCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)[C@@H]1CCO ZINC000852460464 731586777 /nfs/dbraw/zinc/58/67/77/731586777.db2.gz CTHDITTWJUVMSU-SMDDNHRTSA-N 1 1 357.248 3.340 20 5 FGBDMO C[C@H]1CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)[C@@H]1CCO ZINC000852460464 731586780 /nfs/dbraw/zinc/58/67/80/731586780.db2.gz CTHDITTWJUVMSU-SMDDNHRTSA-N 1 1 357.248 3.340 20 5 FGBDMO COC(=O)[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H]2CCC[C@@H]21 ZINC000859952122 732421818 /nfs/dbraw/zinc/42/18/18/732421818.db2.gz SEJHWJVDDQGYTJ-IIAWOOMASA-N 1 1 352.818 3.412 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H]2CCC[C@@H]21 ZINC000859952122 732421819 /nfs/dbraw/zinc/42/18/19/732421819.db2.gz SEJHWJVDDQGYTJ-IIAWOOMASA-N 1 1 352.818 3.412 20 5 FGBDMO NC(CCC(F)(F)F)=[NH+]OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000863488788 732970114 /nfs/dbraw/zinc/97/01/14/732970114.db2.gz FOWSEIVAMDLTSS-UHFFFAOYSA-N 1 1 368.699 3.028 20 5 FGBDMO CN1CCC([N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cc3C(F)F)C2)CC1 ZINC000865535481 733222530 /nfs/dbraw/zinc/22/25/30/733222530.db2.gz MVJBJUSIQQMADW-GFCCVEGCSA-N 1 1 354.401 3.113 20 5 FGBDMO C[NH+]1CCC(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cc3C(F)F)C2)CC1 ZINC000865535481 733222534 /nfs/dbraw/zinc/22/25/34/733222534.db2.gz MVJBJUSIQQMADW-GFCCVEGCSA-N 1 1 354.401 3.113 20 5 FGBDMO COCC[NH+]1CCC(N[C@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000872028724 735579196 /nfs/dbraw/zinc/57/91/96/735579196.db2.gz SLGLIIWJOJUBSI-CYBMUJFWSA-N 1 1 353.488 3.078 20 5 FGBDMO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H](CCc3ccccc3)C(F)F)C2)c1 ZINC000877654188 736700842 /nfs/dbraw/zinc/70/08/42/736700842.db2.gz WPJCCIUDAUXKJH-ZBCRRDGASA-N 1 1 350.369 3.351 20 5 FGBDMO CC[N@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@@H]1CCCOC1 ZINC000878806234 736920376 /nfs/dbraw/zinc/92/03/76/736920376.db2.gz ZYXZLUPSBDGBED-GFCCVEGCSA-N 1 1 366.805 3.299 20 5 FGBDMO CC[N@@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@@H]1CCCOC1 ZINC000878806234 736920379 /nfs/dbraw/zinc/92/03/79/736920379.db2.gz ZYXZLUPSBDGBED-GFCCVEGCSA-N 1 1 366.805 3.299 20 5 FGBDMO CSCc1nnc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000886755506 739292136 /nfs/dbraw/zinc/29/21/36/739292136.db2.gz KNFIMUKIEQRWSQ-OCCSQVGLSA-N 1 1 361.471 3.077 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886827598 739307575 /nfs/dbraw/zinc/30/75/75/739307575.db2.gz NTGLZMTUBLCDGH-XHBSWPGZSA-N 1 1 367.833 3.076 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886827598 739307578 /nfs/dbraw/zinc/30/75/78/739307578.db2.gz NTGLZMTUBLCDGH-XHBSWPGZSA-N 1 1 367.833 3.076 20 5 FGBDMO Cc1noc(C[C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)n1 ZINC000897578752 742691495 /nfs/dbraw/zinc/69/14/95/742691495.db2.gz FCPOQVYPRRNJRH-GFCCVEGCSA-N 1 1 350.806 3.394 20 5 FGBDMO Cc1noc(C[C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)n1 ZINC000897578752 742691497 /nfs/dbraw/zinc/69/14/97/742691497.db2.gz FCPOQVYPRRNJRH-GFCCVEGCSA-N 1 1 350.806 3.394 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000906787694 744159398 /nfs/dbraw/zinc/15/93/98/744159398.db2.gz BAZOZNYTRRYYMS-CXAGYDPISA-N 1 1 367.877 3.370 20 5 FGBDMO O=[N+]([O-])c1ccc(Br)c(C[NH+]2CCC(n3cccn3)CC2)c1 ZINC000929610400 760419561 /nfs/dbraw/zinc/41/95/61/760419561.db2.gz WYVRZQKTKVONTD-UHFFFAOYSA-N 1 1 365.231 3.391 20 5 FGBDMO C[C@@H]([NH2+]Cc1ccc(OCC(F)(F)F)nn1)c1ccc([N+](=O)[O-])cc1 ZINC000932177559 761072819 /nfs/dbraw/zinc/07/28/19/761072819.db2.gz CDAPOWHBFYAFSP-SNVBAGLBSA-N 1 1 356.304 3.177 20 5 FGBDMO O=C(C[NH2+][C@H](c1ccccn1)C1CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000932376484 761153003 /nfs/dbraw/zinc/15/30/03/761153003.db2.gz KKZLSGONUKPQNP-KRWDZBQOSA-N 1 1 360.801 3.323 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)C[C@H](C)O1 ZINC000106031186 222380694 /nfs/dbraw/zinc/38/06/94/222380694.db2.gz AFEBBAOMDUPTGY-GASCZTMLSA-N 1 1 369.421 3.456 20 5 FGBDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)C[C@H](C)O1 ZINC000106031186 222380696 /nfs/dbraw/zinc/38/06/96/222380696.db2.gz AFEBBAOMDUPTGY-GASCZTMLSA-N 1 1 369.421 3.456 20 5 FGBDMO C[C@@H]1C[C@H](N(C)Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000093644067 494906443 /nfs/dbraw/zinc/90/64/43/494906443.db2.gz AIEMDAOJLBYAED-DGCLKSJQSA-N 1 1 356.264 3.272 20 5 FGBDMO Cc1c(CNC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000573622112 505580565 /nfs/dbraw/zinc/58/05/65/505580565.db2.gz XSJOLMWXXLSTPL-QGZVFWFLSA-N 1 1 361.829 3.476 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+](C)Cc2ccccc2N(C)C)cccc1[N+](=O)[O-] ZINC000567958753 505583647 /nfs/dbraw/zinc/58/36/47/505583647.db2.gz YLISIILPVQTQAU-UHFFFAOYSA-N 1 1 370.453 3.430 20 5 FGBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCCc2ccccc21 ZINC000027906473 493765865 /nfs/dbraw/zinc/76/58/65/493765865.db2.gz BHWSCMBXLXJCPM-HXUWFJFHSA-N 1 1 365.433 3.493 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000081126671 493837939 /nfs/dbraw/zinc/83/79/39/493837939.db2.gz LFYDTYYBBYYPCP-SFHVURJKSA-N 1 1 353.422 3.250 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000029536842 493843274 /nfs/dbraw/zinc/84/32/74/493843274.db2.gz ODJKTEYTBLRIKA-IBGZPJMESA-N 1 1 369.421 3.305 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000029536842 493843279 /nfs/dbraw/zinc/84/32/79/493843279.db2.gz ODJKTEYTBLRIKA-IBGZPJMESA-N 1 1 369.421 3.305 20 5 FGBDMO CC(C)[N@H+]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000068777405 493871599 /nfs/dbraw/zinc/87/15/99/493871599.db2.gz DHRMYUPKGBCICO-UHFFFAOYSA-N 1 1 374.466 3.275 20 5 FGBDMO CC[NH+]1CCN(c2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)cc2F)CC1 ZINC000069326728 493956898 /nfs/dbraw/zinc/95/68/98/493956898.db2.gz PCOAGBLZHVRSHW-UHFFFAOYSA-N 1 1 372.400 3.128 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+](Cc2cccc(F)c2)C2CC2)c1 ZINC000051425569 493969161 /nfs/dbraw/zinc/96/91/61/493969161.db2.gz FDZCMIDBKBAGHP-SFHVURJKSA-N 1 1 360.385 3.138 20 5 FGBDMO Cc1nn(C)c(N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000051592333 493977525 /nfs/dbraw/zinc/97/75/25/493977525.db2.gz IPNQPQHLJWQXFN-UHFFFAOYSA-N 1 1 363.849 3.002 20 5 FGBDMO Cc1nn(C)c(N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000051592333 493977527 /nfs/dbraw/zinc/97/75/27/493977527.db2.gz IPNQPQHLJWQXFN-UHFFFAOYSA-N 1 1 363.849 3.002 20 5 FGBDMO CC[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000032446870 493990120 /nfs/dbraw/zinc/99/01/20/493990120.db2.gz NVPPNCNUJXELPF-QGZVFWFLSA-N 1 1 353.422 3.162 20 5 FGBDMO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000076949966 493994254 /nfs/dbraw/zinc/99/42/54/493994254.db2.gz TWKGONQXBGYJJA-INIZCTEOSA-N 1 1 368.437 3.011 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000076949966 493994258 /nfs/dbraw/zinc/99/42/58/493994258.db2.gz TWKGONQXBGYJJA-INIZCTEOSA-N 1 1 368.437 3.011 20 5 FGBDMO COc1cc(C)c(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1OC ZINC000007187345 494005482 /nfs/dbraw/zinc/00/54/82/494005482.db2.gz XZPXOYHUZHXRFY-UHFFFAOYSA-N 1 1 371.437 3.243 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083214053 494007367 /nfs/dbraw/zinc/00/73/67/494007367.db2.gz RPMOSEIDOUXNER-KRWDZBQOSA-N 1 1 366.421 3.442 20 5 FGBDMO O=C(C[N@@H+]1CCC[C@H]1c1ccsc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000052803717 494063674 /nfs/dbraw/zinc/06/36/74/494063674.db2.gz CQNIEYRAZVMFHH-INIZCTEOSA-N 1 1 357.435 3.383 20 5 FGBDMO O=C(C[N@H+]1CCC[C@H]1c1ccsc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000052803717 494063677 /nfs/dbraw/zinc/06/36/77/494063677.db2.gz CQNIEYRAZVMFHH-INIZCTEOSA-N 1 1 357.435 3.383 20 5 FGBDMO Cc1ccc([C@H](C)[N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000052907808 494074055 /nfs/dbraw/zinc/07/40/55/494074055.db2.gz FADRYNZRNYRTLX-HNNXBMFYSA-N 1 1 353.422 3.485 20 5 FGBDMO Cc1ccc([C@H](C)[N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000052907808 494074057 /nfs/dbraw/zinc/07/40/57/494074057.db2.gz FADRYNZRNYRTLX-HNNXBMFYSA-N 1 1 353.422 3.485 20 5 FGBDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000063771526 494086509 /nfs/dbraw/zinc/08/65/09/494086509.db2.gz JKOCGQPDKYKHLZ-UHFFFAOYSA-N 1 1 365.499 3.410 20 5 FGBDMO C[N@@H+]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@H](c2ccccc2)C1 ZINC000053286588 494114313 /nfs/dbraw/zinc/11/43/13/494114313.db2.gz SYRXUKUBJCWNGA-IBGZPJMESA-N 1 1 364.405 3.205 20 5 FGBDMO C[N@H+]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@H](c2ccccc2)C1 ZINC000053286588 494114316 /nfs/dbraw/zinc/11/43/16/494114316.db2.gz SYRXUKUBJCWNGA-IBGZPJMESA-N 1 1 364.405 3.205 20 5 FGBDMO CC(C)[N@H+](CC(=O)N1CCc2sccc2C1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350072 494116045 /nfs/dbraw/zinc/11/60/45/494116045.db2.gz UCZQQOIKXIGXPM-UHFFFAOYSA-N 1 1 373.478 3.452 20 5 FGBDMO CC(C)[N@@H+](CC(=O)N1CCc2sccc2C1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350072 494116048 /nfs/dbraw/zinc/11/60/48/494116048.db2.gz UCZQQOIKXIGXPM-UHFFFAOYSA-N 1 1 373.478 3.452 20 5 FGBDMO COc1ccc(NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000064350529 494116405 /nfs/dbraw/zinc/11/64/05/494116405.db2.gz JGLVMLHDXCHYJW-UHFFFAOYSA-N 1 1 357.410 3.453 20 5 FGBDMO COc1ccc(NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000064350529 494116407 /nfs/dbraw/zinc/11/64/07/494116407.db2.gz JGLVMLHDXCHYJW-UHFFFAOYSA-N 1 1 357.410 3.453 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000577306357 505702962 /nfs/dbraw/zinc/70/29/62/505702962.db2.gz ZZTJCQKLCBPDCI-ZDUSSCGKSA-N 1 1 373.375 3.184 20 5 FGBDMO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000042061528 494198138 /nfs/dbraw/zinc/19/81/38/494198138.db2.gz QZHVZKLUDYCYPT-INIZCTEOSA-N 1 1 362.817 3.143 20 5 FGBDMO Cc1ccccc1C[N@H+]1CCCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000042104248 494201391 /nfs/dbraw/zinc/20/13/91/494201391.db2.gz XCMPQKAKEJNKQR-UHFFFAOYSA-N 1 1 371.466 3.325 20 5 FGBDMO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)C1 ZINC000054175020 494204331 /nfs/dbraw/zinc/20/43/31/494204331.db2.gz GAUZMSLGHKAHRA-ZDUSSCGKSA-N 1 1 351.472 3.127 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000072782321 494249530 /nfs/dbraw/zinc/24/95/30/494249530.db2.gz GOBMNVNKFUWRJR-MRXNPFEDSA-N 1 1 362.474 3.168 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)CCc1cccs1 ZINC000072800946 494253315 /nfs/dbraw/zinc/25/33/15/494253315.db2.gz YDEFIBPOIJJMTN-LBPRGKRZSA-N 1 1 363.439 3.166 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])s3)C2)cc(OC)c1 ZINC000088751354 494257439 /nfs/dbraw/zinc/25/74/39/494257439.db2.gz HETVOPNTGCLQRE-ZDUSSCGKSA-N 1 1 363.439 3.360 20 5 FGBDMO O=[N+]([O-])c1cc2c(nc1N1CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C1)CCCC2 ZINC000574153573 505706873 /nfs/dbraw/zinc/70/68/73/505706873.db2.gz ZBACOJTXVSFCKS-QAPCUYQASA-N 1 1 356.470 3.322 20 5 FGBDMO COc1cc(N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000078265501 494266289 /nfs/dbraw/zinc/26/62/89/494266289.db2.gz CRYBMVXYWGTIJY-PBHICJAKSA-N 1 1 356.426 3.321 20 5 FGBDMO Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000043148417 494270199 /nfs/dbraw/zinc/27/01/99/494270199.db2.gz WBFIFYSEWFJJQZ-QGZVFWFLSA-N 1 1 354.410 3.299 20 5 FGBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000089306264 494286889 /nfs/dbraw/zinc/28/68/89/494286889.db2.gz MXCCDEYPYKCEMQ-IBGZPJMESA-N 1 1 371.412 3.057 20 5 FGBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000089306264 494286892 /nfs/dbraw/zinc/28/68/92/494286892.db2.gz MXCCDEYPYKCEMQ-IBGZPJMESA-N 1 1 371.412 3.057 20 5 FGBDMO Cc1c(NC(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000043346567 494289259 /nfs/dbraw/zinc/28/92/59/494289259.db2.gz YNIMZXRYNFEBIY-CQSZACIVSA-N 1 1 368.437 3.472 20 5 FGBDMO O=[N+]([O-])c1cccc(F)c1OC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000580248748 505713136 /nfs/dbraw/zinc/71/31/36/505713136.db2.gz RGCNILOIDSUCTK-MRXNPFEDSA-N 1 1 360.385 3.404 20 5 FGBDMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000014602431 494321855 /nfs/dbraw/zinc/32/18/55/494321855.db2.gz DIUUWLVZXUTANE-CQSZACIVSA-N 1 1 359.813 3.253 20 5 FGBDMO Cc1ccccc1OCC[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000016423022 494390232 /nfs/dbraw/zinc/39/02/32/494390232.db2.gz VQVAEDAMQIYYOA-UHFFFAOYSA-N 1 1 358.394 3.281 20 5 FGBDMO Cc1ccccc1OCC[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000016423022 494390236 /nfs/dbraw/zinc/39/02/36/494390236.db2.gz VQVAEDAMQIYYOA-UHFFFAOYSA-N 1 1 358.394 3.281 20 5 FGBDMO CN(C)c1cccc(C[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000089922006 494402397 /nfs/dbraw/zinc/40/23/97/494402397.db2.gz BFLWNESYBQSHFM-UHFFFAOYSA-N 1 1 356.426 3.121 20 5 FGBDMO C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000089996990 494422776 /nfs/dbraw/zinc/42/27/76/494422776.db2.gz BAJSRQJBBJOODQ-WBVHZDCISA-N 1 1 359.813 3.423 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000089996990 494422779 /nfs/dbraw/zinc/42/27/79/494422779.db2.gz BAJSRQJBBJOODQ-WBVHZDCISA-N 1 1 359.813 3.423 20 5 FGBDMO COc1ccccc1[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000018180129 494427434 /nfs/dbraw/zinc/42/74/34/494427434.db2.gz SYNUCRPKXVDAIV-INIZCTEOSA-N 1 1 358.398 3.028 20 5 FGBDMO COc1ccccc1[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000018180125 494428114 /nfs/dbraw/zinc/42/81/14/494428114.db2.gz SYNUCRPKXVDAIV-MRXNPFEDSA-N 1 1 358.398 3.028 20 5 FGBDMO CCc1oc2ccccc2c1C[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090511200 494475820 /nfs/dbraw/zinc/47/58/20/494475820.db2.gz DDAYCKDPIRQWNK-UHFFFAOYSA-N 1 1 355.394 3.197 20 5 FGBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000079561683 494483086 /nfs/dbraw/zinc/48/30/86/494483086.db2.gz LCYKQGADPCPTCL-LLVKDONJSA-N 1 1 359.348 3.075 20 5 FGBDMO COc1ccc(C[C@@H](C)C[N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000090618629 494488047 /nfs/dbraw/zinc/48/80/47/494488047.db2.gz OPJTXPKHVKMJQT-CQSZACIVSA-N 1 1 371.437 3.013 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])o2)cc1F ZINC000079666964 494504607 /nfs/dbraw/zinc/50/46/07/494504607.db2.gz COCMNDUOLCHJJO-SNVBAGLBSA-N 1 1 358.329 3.312 20 5 FGBDMO COCC[NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000021818185 494506731 /nfs/dbraw/zinc/50/67/31/494506731.db2.gz AHCJUPCQJREFGC-MRXNPFEDSA-N 1 1 363.801 3.164 20 5 FGBDMO CCC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000021918567 494510717 /nfs/dbraw/zinc/51/07/17/494510717.db2.gz GPKDGUMOKBAXGF-UHFFFAOYSA-N 1 1 357.410 3.454 20 5 FGBDMO CN1CC[N@@H+](C)Cc2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)cc21 ZINC000091043420 494516997 /nfs/dbraw/zinc/51/69/97/494516997.db2.gz ORBIRIXOLWSIBM-UHFFFAOYSA-N 1 1 355.398 3.120 20 5 FGBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1ccc(Cl)cc1 ZINC000046599335 494539731 /nfs/dbraw/zinc/53/97/31/494539731.db2.gz VSLAABMASMLYBS-OAHLLOKOSA-N 1 1 350.802 3.120 20 5 FGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1ccc(Cl)cc1 ZINC000046599335 494539735 /nfs/dbraw/zinc/53/97/35/494539735.db2.gz VSLAABMASMLYBS-OAHLLOKOSA-N 1 1 350.802 3.120 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000046715187 494556203 /nfs/dbraw/zinc/55/62/03/494556203.db2.gz SQDLGTNPYNTVPB-CQSZACIVSA-N 1 1 357.410 3.492 20 5 FGBDMO C[N@@H+]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000121311532 494695465 /nfs/dbraw/zinc/69/54/65/494695465.db2.gz UHKHFMYDTGIWFF-HKUYNNGSSA-N 1 1 373.840 3.352 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000121311532 494695476 /nfs/dbraw/zinc/69/54/76/494695476.db2.gz UHKHFMYDTGIWFF-HKUYNNGSSA-N 1 1 373.840 3.352 20 5 FGBDMO NC(=O)CC[C@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000092659961 494700617 /nfs/dbraw/zinc/70/06/17/494700617.db2.gz PKEPFNSWILFDSU-CYBMUJFWSA-N 1 1 374.466 3.196 20 5 FGBDMO NC(=O)CC[C@H]1CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000092659961 494700625 /nfs/dbraw/zinc/70/06/25/494700625.db2.gz PKEPFNSWILFDSU-CYBMUJFWSA-N 1 1 374.466 3.196 20 5 FGBDMO Cc1cccc(NCCNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000126319882 494708158 /nfs/dbraw/zinc/70/81/58/494708158.db2.gz XVUQJVSMTCWLMR-CYBMUJFWSA-N 1 1 360.439 3.007 20 5 FGBDMO Cc1cc([C@H]2CCC[N@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)on1 ZINC000067965843 494712298 /nfs/dbraw/zinc/71/22/98/494712298.db2.gz BTWNBCYJDZRREQ-MRXNPFEDSA-N 1 1 358.398 3.365 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCc2cc(F)ccc2C1 ZINC000091891285 494713722 /nfs/dbraw/zinc/71/37/22/494713722.db2.gz WWRJAYOJBSEGFU-UHFFFAOYSA-N 1 1 357.385 3.429 20 5 FGBDMO COc1ccc(NC(=O)CC[N@H+]2CCc3cc(F)ccc3C2)c([N+](=O)[O-])c1 ZINC000091894384 494717082 /nfs/dbraw/zinc/71/70/82/494717082.db2.gz UJZCBAPCUIQOQK-UHFFFAOYSA-N 1 1 373.384 3.129 20 5 FGBDMO CC(C)c1ccc(C[N@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000092011330 494754456 /nfs/dbraw/zinc/75/44/56/494754456.db2.gz ZEYSHKYRFDNPPJ-APWZRJJASA-N 1 1 372.469 3.397 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000080718539 494777175 /nfs/dbraw/zinc/77/71/75/494777175.db2.gz WRFXPSBOZCNHPL-WYQXTGKHSA-N 1 1 363.483 3.207 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCOc1ccccc1 ZINC000026222747 494810833 /nfs/dbraw/zinc/81/08/33/494810833.db2.gz LSNRNEGNGWGMLP-UHFFFAOYSA-N 1 1 357.410 3.243 20 5 FGBDMO COc1ccc(NC(=O)CC[N@H+]2CCc3sccc3C2)c([N+](=O)[O-])c1 ZINC000026343754 494820664 /nfs/dbraw/zinc/82/06/64/494820664.db2.gz RRPFIGXOCVUFOC-UHFFFAOYSA-N 1 1 361.423 3.052 20 5 FGBDMO COc1ccc(F)cc1[C@@H](C)[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000109147028 494838637 /nfs/dbraw/zinc/83/86/37/494838637.db2.gz LXFAWYGXXWEIGN-SJKOYZFVSA-N 1 1 373.384 3.199 20 5 FGBDMO CNc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000027497470 494869939 /nfs/dbraw/zinc/86/99/39/494869939.db2.gz DOSLCETWWMHMIO-KRWDZBQOSA-N 1 1 372.425 3.187 20 5 FGBDMO C[C@@H](c1cccs1)[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000027555002 494873232 /nfs/dbraw/zinc/87/32/32/494873232.db2.gz CISAZKWNERAZCR-JTQLQIEISA-N 1 1 363.395 3.017 20 5 FGBDMO C[C@@H](c1cccs1)[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000027555002 494873236 /nfs/dbraw/zinc/87/32/36/494873236.db2.gz CISAZKWNERAZCR-JTQLQIEISA-N 1 1 363.395 3.017 20 5 FGBDMO CC(C)(C)c1ncc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000093534640 494898360 /nfs/dbraw/zinc/89/83/60/494898360.db2.gz BJUHHIDXBGCMGR-LBPRGKRZSA-N 1 1 361.471 3.430 20 5 FGBDMO CC(C)(C)c1ncc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000093534640 494898362 /nfs/dbraw/zinc/89/83/62/494898362.db2.gz BJUHHIDXBGCMGR-LBPRGKRZSA-N 1 1 361.471 3.430 20 5 FGBDMO CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000093770163 494920537 /nfs/dbraw/zinc/92/05/37/494920537.db2.gz ZNUHCZPHOZCOFG-ZDUSSCGKSA-N 1 1 356.264 3.131 20 5 FGBDMO CNC(=O)[C@H](C)C[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000093898612 494931581 /nfs/dbraw/zinc/93/15/81/494931581.db2.gz RGHHZTDWPTXGEK-LLVKDONJSA-N 1 1 365.817 3.322 20 5 FGBDMO COC(=O)c1ccc(N2CC[N@H+](Cc3ccccc3[N+](=O)[O-])[C@@H](C)C2)cc1 ZINC000109959463 494934461 /nfs/dbraw/zinc/93/44/61/494934461.db2.gz RLRIBLWMQNCORL-HNNXBMFYSA-N 1 1 369.421 3.092 20 5 FGBDMO COC(=O)c1ccc(N2CC[N@@H+](Cc3ccccc3[N+](=O)[O-])[C@@H](C)C2)cc1 ZINC000109959463 494934464 /nfs/dbraw/zinc/93/44/64/494934464.db2.gz RLRIBLWMQNCORL-HNNXBMFYSA-N 1 1 369.421 3.092 20 5 FGBDMO Cc1[nH+]ccn1-c1ncccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117759185 494953849 /nfs/dbraw/zinc/95/38/49/494953849.db2.gz JODYMFQKJDDFDM-UHFFFAOYSA-N 1 1 371.784 3.319 20 5 FGBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117765155 494953985 /nfs/dbraw/zinc/95/39/85/494953985.db2.gz ILXXQJXNPFMNRI-CHWSQXEVSA-N 1 1 353.850 3.027 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000123007061 495066925 /nfs/dbraw/zinc/06/69/25/495066925.db2.gz AXSAUJIKNYNGGS-SUMWQHHRSA-N 1 1 374.441 3.084 20 5 FGBDMO Cc1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)c(N2CCCC2)[nH+]1 ZINC000119063815 495083949 /nfs/dbraw/zinc/08/39/49/495083949.db2.gz IHIVFQGNEGSWCH-UHFFFAOYSA-N 1 1 355.398 3.220 20 5 FGBDMO CSc1ccc(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000119338709 495145377 /nfs/dbraw/zinc/14/53/77/495145377.db2.gz YQCGQAGSYRRIFC-CYBMUJFWSA-N 1 1 351.472 3.024 20 5 FGBDMO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000119424417 495164222 /nfs/dbraw/zinc/16/42/22/495164222.db2.gz VUNINVIHOGNKDN-KXBFYZLASA-N 1 1 369.469 3.430 20 5 FGBDMO CS[C@H]1CCCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000134578443 495170977 /nfs/dbraw/zinc/17/09/77/495170977.db2.gz DQLAEDCFWWFDNX-HNNXBMFYSA-N 1 1 351.472 3.449 20 5 FGBDMO Cc1[nH+]ccn1-c1ncccc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134631472 495178325 /nfs/dbraw/zinc/17/83/25/495178325.db2.gz DDUZIIRYQHXGGR-UHFFFAOYSA-N 1 1 357.757 3.390 20 5 FGBDMO C[NH+](C)[C@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccco1 ZINC000120021057 495291101 /nfs/dbraw/zinc/29/11/01/495291101.db2.gz RJMDYEFJTBXODF-QGZVFWFLSA-N 1 1 372.425 3.165 20 5 FGBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000113901345 495335193 /nfs/dbraw/zinc/33/51/93/495335193.db2.gz KHVNQPKNTJZYJA-HOCLYGCPSA-N 1 1 360.458 3.025 20 5 FGBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000130089368 495339651 /nfs/dbraw/zinc/33/96/51/495339651.db2.gz PZZWNPXNISHJFL-GUYCJALGSA-N 1 1 374.466 3.173 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@@H]1CCc2ccccc2C1 ZINC000114490299 495384967 /nfs/dbraw/zinc/38/49/67/495384967.db2.gz KTWDHUFQGXEFAE-QGZVFWFLSA-N 1 1 353.422 3.331 20 5 FGBDMO Cc1cccc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000114642903 495402601 /nfs/dbraw/zinc/40/26/01/495402601.db2.gz PEUNXVXOVMMWRL-KRWDZBQOSA-N 1 1 353.422 3.298 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)CCC1CCOCC1 ZINC000120691312 495436545 /nfs/dbraw/zinc/43/65/45/495436545.db2.gz IISDDRGIWPRDOK-GFCCVEGCSA-N 1 1 369.849 3.324 20 5 FGBDMO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2C)CC[N@@H+]1Cc1ccccc1 ZINC000185351998 495544321 /nfs/dbraw/zinc/54/43/21/495544321.db2.gz QOWVYVDLCJHVEZ-KRWDZBQOSA-N 1 1 368.437 3.035 20 5 FGBDMO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2C)CC[N@H+]1Cc1ccccc1 ZINC000185351998 495544325 /nfs/dbraw/zinc/54/43/25/495544325.db2.gz QOWVYVDLCJHVEZ-KRWDZBQOSA-N 1 1 368.437 3.035 20 5 FGBDMO COCCO[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000179334505 495547959 /nfs/dbraw/zinc/54/79/59/495547959.db2.gz UBIPGMKCZITQRS-QGZVFWFLSA-N 1 1 352.431 3.009 20 5 FGBDMO COCCO[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000179334505 495547966 /nfs/dbraw/zinc/54/79/66/495547966.db2.gz UBIPGMKCZITQRS-QGZVFWFLSA-N 1 1 352.431 3.009 20 5 FGBDMO CNC(=O)CC[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000179407364 495579557 /nfs/dbraw/zinc/57/95/57/495579557.db2.gz RWJQIQMHFMNNIB-UHFFFAOYSA-N 1 1 351.790 3.076 20 5 FGBDMO Cc1cc(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000148319730 495584216 /nfs/dbraw/zinc/58/42/16/495584216.db2.gz VHYDYFPOIXJAGP-MAUKXSAKSA-N 1 1 353.422 3.469 20 5 FGBDMO C[C@@H](CCNC(=O)Cc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000173601898 495608342 /nfs/dbraw/zinc/60/83/42/495608342.db2.gz XEIKWBUVSHGDJX-INIZCTEOSA-N 1 1 355.438 3.164 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@H+](C[C@@H](O)COc2ccccc2F)C2CC2)cc1 ZINC000179518073 495624955 /nfs/dbraw/zinc/62/49/55/495624955.db2.gz MGUUDFXSAQUMDP-QGZVFWFLSA-N 1 1 360.385 3.138 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173638282 495627226 /nfs/dbraw/zinc/62/72/26/495627226.db2.gz RVBHAIMMQNKGAN-INIZCTEOSA-N 1 1 362.474 3.038 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CC[C@@H]1CCCC[N@H+]1C ZINC000173638282 495627228 /nfs/dbraw/zinc/62/72/28/495627228.db2.gz RVBHAIMMQNKGAN-INIZCTEOSA-N 1 1 362.474 3.038 20 5 FGBDMO COc1cc(C[N@@H+]2CCC[C@@H](O)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000179523544 495627746 /nfs/dbraw/zinc/62/77/46/495627746.db2.gz LPLBQAJEVBWWRO-QGZVFWFLSA-N 1 1 372.421 3.139 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@@H](O)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000179523544 495627752 /nfs/dbraw/zinc/62/77/52/495627752.db2.gz LPLBQAJEVBWWRO-QGZVFWFLSA-N 1 1 372.421 3.139 20 5 FGBDMO COc1ccc(F)cc1[C@@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000179937736 495791798 /nfs/dbraw/zinc/79/17/98/495791798.db2.gz ODWKGGYHBCMOAA-GFCCVEGCSA-N 1 1 361.373 3.340 20 5 FGBDMO CCSCC[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000174035140 495797267 /nfs/dbraw/zinc/79/72/67/495797267.db2.gz XXKNTCUEPMDUIL-GFCCVEGCSA-N 1 1 355.460 3.005 20 5 FGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159856188 495825222 /nfs/dbraw/zinc/82/52/22/495825222.db2.gz UJQOKODPMIGLEZ-CQSZACIVSA-N 1 1 356.426 3.120 20 5 FGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000159856188 495825228 /nfs/dbraw/zinc/82/52/28/495825228.db2.gz UJQOKODPMIGLEZ-CQSZACIVSA-N 1 1 356.426 3.120 20 5 FGBDMO CCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174247799 495880928 /nfs/dbraw/zinc/88/09/28/495880928.db2.gz RFWAONNHFLXIME-HUUCEWRRSA-N 1 1 363.458 3.131 20 5 FGBDMO CCC[N@H+]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000160342537 495939841 /nfs/dbraw/zinc/93/98/41/495939841.db2.gz GLIRDDOSQDLKNL-LLVKDONJSA-N 1 1 374.363 3.467 20 5 FGBDMO O=C(C[N@H+](CCC(F)(F)F)CC1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000177169080 495957399 /nfs/dbraw/zinc/95/73/99/495957399.db2.gz IMFIVMMFNGUHPK-UHFFFAOYSA-N 1 1 371.359 3.148 20 5 FGBDMO O=C(C[N@@H+](CCC(F)(F)F)CC1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000177169080 495957404 /nfs/dbraw/zinc/95/74/04/495957404.db2.gz IMFIVMMFNGUHPK-UHFFFAOYSA-N 1 1 371.359 3.148 20 5 FGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+]C(C)(C)C(=O)NCC(C)(C)C ZINC000155476635 495969020 /nfs/dbraw/zinc/96/90/20/495969020.db2.gz BMQPIKVBVRFONJ-UHFFFAOYSA-N 1 1 365.474 3.413 20 5 FGBDMO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000186377386 495972698 /nfs/dbraw/zinc/97/26/98/495972698.db2.gz ILEZLRHLYINELP-JKSUJKDBSA-N 1 1 360.414 3.328 20 5 FGBDMO C[C@H]([N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1(C)CC1 ZINC000177240192 495989304 /nfs/dbraw/zinc/98/93/04/495989304.db2.gz HPCJKTZPLOEJNY-JTQLQIEISA-N 1 1 370.247 3.416 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@H](c4ccncc4)C3)n2)cc1 ZINC000568962855 505819459 /nfs/dbraw/zinc/81/94/59/505819459.db2.gz MFLXEZSHHSBDOR-HNNXBMFYSA-N 1 1 351.366 3.029 20 5 FGBDMO CC[C@H](C)C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000171948298 496104843 /nfs/dbraw/zinc/10/48/43/496104843.db2.gz MGSKTJBSFTVFRK-JTQLQIEISA-N 1 1 358.236 3.274 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000177606637 496129262 /nfs/dbraw/zinc/12/92/62/496129262.db2.gz BFKPUEOSBDEFCM-SFHVURJKSA-N 1 1 364.442 3.154 20 5 FGBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000156091460 496156165 /nfs/dbraw/zinc/15/61/65/496156165.db2.gz OJBFTYFKDGCUQN-UHFFFAOYSA-N 1 1 372.425 3.377 20 5 FGBDMO CN(C(=O)C[NH+]1CCC(c2ccsc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000186921308 496212183 /nfs/dbraw/zinc/21/21/83/496212183.db2.gz MEKGYMAXJQAINP-UHFFFAOYSA-N 1 1 359.451 3.499 20 5 FGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)n1 ZINC000152697618 496229828 /nfs/dbraw/zinc/22/98/28/496229828.db2.gz VMGYCNAEOGTQMY-ZDUSSCGKSA-N 1 1 361.471 3.006 20 5 FGBDMO C[C@H](C(=O)N1CCCc2ccccc21)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000569022442 505832005 /nfs/dbraw/zinc/83/20/05/505832005.db2.gz SLXCCKJYPGGCFW-MRXNPFEDSA-N 1 1 367.449 3.437 20 5 FGBDMO C[C@H](C(=O)N1CCCc2ccccc21)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000569022442 505832011 /nfs/dbraw/zinc/83/20/11/505832011.db2.gz SLXCCKJYPGGCFW-MRXNPFEDSA-N 1 1 367.449 3.437 20 5 FGBDMO CC[C@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000184113945 496243907 /nfs/dbraw/zinc/24/39/07/496243907.db2.gz CNHNSMXAUFLPIX-INIZCTEOSA-N 1 1 369.425 3.118 20 5 FGBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172419710 496290773 /nfs/dbraw/zinc/29/07/73/496290773.db2.gz MKRKTIYEHNROHF-UHFFFAOYSA-N 1 1 365.861 3.268 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000175232668 496302080 /nfs/dbraw/zinc/30/20/80/496302080.db2.gz KVAQSJIUQCJLPR-RISCZKNCSA-N 1 1 373.375 3.416 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000181209738 496312786 /nfs/dbraw/zinc/31/27/86/496312786.db2.gz MIQDNYRWFHOFFW-OAHLLOKOSA-N 1 1 374.485 3.294 20 5 FGBDMO Cc1ccc(Sc2ccc(C[N@H+]3CC[C@@H](C(N)=O)C3)cc2[N+](=O)[O-])cc1 ZINC000157111303 496407759 /nfs/dbraw/zinc/40/77/59/496407759.db2.gz IEGQCTXONAONFM-OAHLLOKOSA-N 1 1 371.462 3.362 20 5 FGBDMO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000153375861 496435384 /nfs/dbraw/zinc/43/53/84/496435384.db2.gz DUJQOEXCLVBXCE-MKTWQISGSA-N 1 1 355.438 3.083 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000181545514 496439810 /nfs/dbraw/zinc/43/98/10/496439810.db2.gz PFDGWNLFJOJIFI-OLZOCXBDSA-N 1 1 363.483 3.450 20 5 FGBDMO C[C@@H](NC(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000175649699 496483852 /nfs/dbraw/zinc/48/38/52/496483852.db2.gz MOJSUIOSGKCBLE-CQSZACIVSA-N 1 1 374.416 3.226 20 5 FGBDMO Cc1sc(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000181661924 496492068 /nfs/dbraw/zinc/49/20/68/496492068.db2.gz GDAWRYMDVWDSBD-AAEUAGOBSA-N 1 1 351.472 3.348 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000153547888 496492918 /nfs/dbraw/zinc/49/29/18/496492918.db2.gz ZWUZSWBXFGPDPH-UHFFFAOYSA-N 1 1 364.808 3.495 20 5 FGBDMO COc1c(C)cc(C[N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1C ZINC000181677342 496499417 /nfs/dbraw/zinc/49/94/17/496499417.db2.gz SKCIFQXNDSSYFG-QGZVFWFLSA-N 1 1 374.437 3.092 20 5 FGBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC[C@@H]21 ZINC000178569325 496502151 /nfs/dbraw/zinc/50/21/51/496502151.db2.gz QOFJTEQISRSHOP-DOMZBBRYSA-N 1 1 359.451 3.366 20 5 FGBDMO C[C@@]1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC[N@H+]1Cc1ccccc1 ZINC000163468065 496519624 /nfs/dbraw/zinc/51/96/24/496519624.db2.gz FGODNBYRJOOWKU-NRFANRHFSA-N 1 1 367.449 3.308 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000178731495 496553430 /nfs/dbraw/zinc/55/34/30/496553430.db2.gz GAYBROLVJDVIRV-INIZCTEOSA-N 1 1 362.474 3.104 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000178729070 496554112 /nfs/dbraw/zinc/55/41/12/496554112.db2.gz RPIYWHGFMPWNSS-OAHLLOKOSA-N 1 1 373.453 3.395 20 5 FGBDMO Cc1ccc(N2CCC(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)[nH+]c1 ZINC000157838945 496568083 /nfs/dbraw/zinc/56/80/83/496568083.db2.gz OPWDQOBSDGSZGD-UHFFFAOYSA-N 1 1 374.828 3.350 20 5 FGBDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181917018 496598665 /nfs/dbraw/zinc/59/86/65/496598665.db2.gz OGPNDBJHVSNEIR-KEYYUXOJSA-N 1 1 352.456 3.022 20 5 FGBDMO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181978852 496622264 /nfs/dbraw/zinc/62/22/64/496622264.db2.gz GRVWVEUANGRWSU-KXBFYZLASA-N 1 1 374.462 3.247 20 5 FGBDMO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181978852 496622267 /nfs/dbraw/zinc/62/22/67/496622267.db2.gz GRVWVEUANGRWSU-KXBFYZLASA-N 1 1 374.462 3.247 20 5 FGBDMO Cc1c(Br)c(N[C@@H]2CC[N@H+]3CCCC[C@H]23)ncc1[N+](=O)[O-] ZINC000165747578 496668317 /nfs/dbraw/zinc/66/83/17/496668317.db2.gz GEAWAHPAHUUANF-GHMZBOCLSA-N 1 1 355.236 3.099 20 5 FGBDMO Cc1c(Br)c(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000165794584 496669530 /nfs/dbraw/zinc/66/95/30/496669530.db2.gz RIKPSRNUSHXDMA-GHMZBOCLSA-N 1 1 355.236 3.099 20 5 FGBDMO CC[N@@H+](CCc1ccccc1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000154081506 496678218 /nfs/dbraw/zinc/67/82/18/496678218.db2.gz PDSXJZQBYZVYRM-OAHLLOKOSA-N 1 1 371.437 3.495 20 5 FGBDMO C[C@@H]1C[C@H](NC(=O)c2csc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000176114573 496689152 /nfs/dbraw/zinc/68/91/52/496689152.db2.gz RPDDEHUTWDYLHE-CZUORRHYSA-N 1 1 359.451 3.439 20 5 FGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H](O)COCc1ccccc1 ZINC000182167410 496694856 /nfs/dbraw/zinc/69/48/56/496694856.db2.gz WVBQSHUUKWDWBY-QGZVFWFLSA-N 1 1 364.829 3.258 20 5 FGBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H](O)COCc1ccccc1 ZINC000182167410 496694862 /nfs/dbraw/zinc/69/48/62/496694862.db2.gz WVBQSHUUKWDWBY-QGZVFWFLSA-N 1 1 364.829 3.258 20 5 FGBDMO CC[C@H]1c2ccsc2CC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182209944 496708950 /nfs/dbraw/zinc/70/89/50/496708950.db2.gz VHMFLWOMNQMARV-ZFWWWQNUSA-N 1 1 362.451 3.405 20 5 FGBDMO COc1ccccc1C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000182216903 496710674 /nfs/dbraw/zinc/71/06/74/496710674.db2.gz WXVYVJZMEFPIIB-KRWDZBQOSA-N 1 1 372.421 3.008 20 5 FGBDMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000194866701 496741504 /nfs/dbraw/zinc/74/15/04/496741504.db2.gz YUPMOGQYHLTDAC-GOSISDBHSA-N 1 1 350.415 3.015 20 5 FGBDMO CC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCOC(C)(C)C1 ZINC000574846280 505866582 /nfs/dbraw/zinc/86/65/82/505866582.db2.gz FZVLVKYLPAADBI-AWEZNQCLSA-N 1 1 352.431 3.262 20 5 FGBDMO CCCNC(=O)C[N@@H+](CCC)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000264202756 496837460 /nfs/dbraw/zinc/83/74/60/496837460.db2.gz PXLPKIKFDHIJFU-UHFFFAOYSA-N 1 1 374.441 3.031 20 5 FGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2ccncc2)CC1 ZINC000191651763 496846989 /nfs/dbraw/zinc/84/69/89/496846989.db2.gz FJVGEEZQNWKDAY-CQSZACIVSA-N 1 1 354.410 3.196 20 5 FGBDMO COc1cccc(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)c1[N+](=O)[O-] ZINC000195269780 496870875 /nfs/dbraw/zinc/87/08/75/496870875.db2.gz YJBQUWQPDZKMLU-KRWDZBQOSA-N 1 1 371.437 3.172 20 5 FGBDMO Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3Cl)C2=O)cc1 ZINC000191797107 496893459 /nfs/dbraw/zinc/89/34/59/496893459.db2.gz WCVTXDAQKJWGEO-GOSISDBHSA-N 1 1 373.840 3.447 20 5 FGBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC[C@H]21 ZINC000248149375 496964678 /nfs/dbraw/zinc/96/46/78/496964678.db2.gz QOFJTEQISRSHOP-SWLSCSKDSA-N 1 1 359.451 3.366 20 5 FGBDMO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[NH+](C2CCC2)CC1 ZINC000264892020 497006375 /nfs/dbraw/zinc/00/63/75/497006375.db2.gz FHAGJDXWYAFJRY-UHFFFAOYSA-N 1 1 372.450 3.029 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CCS[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000569222105 505882701 /nfs/dbraw/zinc/88/27/01/505882701.db2.gz JGMNUEUTJADIDY-SFHVURJKSA-N 1 1 373.478 3.154 20 5 FGBDMO C[C@@H](CCN1CC[NH+](C)CC1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000274486150 497108519 /nfs/dbraw/zinc/10/85/19/497108519.db2.gz OZWQCVGGHSCHJZ-LBPRGKRZSA-N 1 1 360.380 3.052 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCCNc1c(Br)cncc1[N+](=O)[O-] ZINC000231628773 497108720 /nfs/dbraw/zinc/10/87/20/497108720.db2.gz ZBOXKJRPYPCWHM-NSHDSACASA-N 1 1 357.252 3.429 20 5 FGBDMO CC[NH+]1CCN(C[C@H](C)CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000189439944 497118305 /nfs/dbraw/zinc/11/83/05/497118305.db2.gz FSYXZRLBGMAUHT-CYBMUJFWSA-N 1 1 374.407 3.299 20 5 FGBDMO COc1cccc([C@@H]2[C@@H](Nc3ncc([N+](=O)[O-])s3)CC[N@@H+]2C2CC2)c1 ZINC000192523962 497138965 /nfs/dbraw/zinc/13/89/65/497138965.db2.gz OLVAOHVQGBLCCB-GOEBONIOSA-N 1 1 360.439 3.450 20 5 FGBDMO COc1cccc([C@@H]2[C@@H](Nc3ncc([N+](=O)[O-])s3)CC[N@H+]2C2CC2)c1 ZINC000192523962 497138969 /nfs/dbraw/zinc/13/89/69/497138969.db2.gz OLVAOHVQGBLCCB-GOEBONIOSA-N 1 1 360.439 3.450 20 5 FGBDMO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])n2)c1 ZINC000578247378 505897798 /nfs/dbraw/zinc/89/77/98/505897798.db2.gz TUNAGYCKOPHYRH-SWLSCSKDSA-N 1 1 364.409 3.421 20 5 FGBDMO Cc1ccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)c(-n2cc(Cl)cn2)n1 ZINC000190307608 497431341 /nfs/dbraw/zinc/43/13/41/497431341.db2.gz BXXOLYLFGLAUDV-UHFFFAOYSA-N 1 1 363.830 3.489 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000193809995 497489126 /nfs/dbraw/zinc/48/91/26/497489126.db2.gz WNGXFINHPVCKAQ-KRWDZBQOSA-N 1 1 353.422 3.155 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000279813107 497550583 /nfs/dbraw/zinc/55/05/83/497550583.db2.gz LJXOEYUALHUTHT-NHYWBVRUSA-N 1 1 371.840 3.119 20 5 FGBDMO Cc1ccc(N2CCC(C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)[nH+]c1 ZINC000194176933 497593944 /nfs/dbraw/zinc/59/39/44/497593944.db2.gz KMALLIUUYZZSLC-HNNXBMFYSA-N 1 1 368.437 3.392 20 5 FGBDMO C[N@@H+]1CC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)cc1 ZINC000246006306 497594819 /nfs/dbraw/zinc/59/48/19/497594819.db2.gz YWNQAPSCBJDTNF-IEBWSBKVSA-N 1 1 373.840 3.352 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)cc1 ZINC000246006306 497594821 /nfs/dbraw/zinc/59/48/21/497594821.db2.gz YWNQAPSCBJDTNF-IEBWSBKVSA-N 1 1 373.840 3.352 20 5 FGBDMO C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272363863 497609214 /nfs/dbraw/zinc/60/92/14/497609214.db2.gz SOACUNXZJXNCES-QFBILLFUSA-N 1 1 367.449 3.164 20 5 FGBDMO CC(C)C[C@H](CCO)C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272487811 497642369 /nfs/dbraw/zinc/64/23/69/497642369.db2.gz DGDRBMGRGMEREC-YJBOKZPZSA-N 1 1 360.458 3.052 20 5 FGBDMO Cc1[nH+]ccn1CCCCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268158400 497688919 /nfs/dbraw/zinc/68/89/19/497688919.db2.gz XUSKMFCHODBCFB-UHFFFAOYSA-N 1 1 365.821 3.033 20 5 FGBDMO C[C@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272736634 497717183 /nfs/dbraw/zinc/71/71/83/497717183.db2.gz LPSVAYZIRMBPCG-RDJZCZTQSA-N 1 1 374.485 3.090 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](Cc1nc(C)no1)c1ccccc1 ZINC000277129004 497749184 /nfs/dbraw/zinc/74/91/84/497749184.db2.gz IIKVWXULVDCBET-KRWDZBQOSA-N 1 1 368.393 3.368 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000272965279 497772835 /nfs/dbraw/zinc/77/28/35/497772835.db2.gz ARSSYZWEPGESJD-UHFFFAOYSA-N 1 1 360.439 3.379 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000272965279 497772840 /nfs/dbraw/zinc/77/28/40/497772840.db2.gz ARSSYZWEPGESJD-UHFFFAOYSA-N 1 1 360.439 3.379 20 5 FGBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000578396829 505929851 /nfs/dbraw/zinc/92/98/51/505929851.db2.gz BWFBVWZPFVFXKO-HXUWFJFHSA-N 1 1 358.413 3.204 20 5 FGBDMO Cc1[nH]nc(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)c1[N+](=O)[O-] ZINC000299536545 497839696 /nfs/dbraw/zinc/83/96/96/497839696.db2.gz NAYWCCQYYSFFAW-LBPRGKRZSA-N 1 1 357.414 3.253 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000581218215 505935614 /nfs/dbraw/zinc/93/56/14/505935614.db2.gz OULHDOLXNWRMNL-JQIVSHAJSA-N 1 1 358.360 3.491 20 5 FGBDMO CCC[C@]1(CO)CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000288642067 497854873 /nfs/dbraw/zinc/85/48/73/497854873.db2.gz AQTJAKGFGJFSKK-IBGZPJMESA-N 1 1 359.426 3.277 20 5 FGBDMO Cc1ccnc([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000581259526 505945808 /nfs/dbraw/zinc/94/58/08/505945808.db2.gz MBVAKSJLHKZYER-CABCVRRESA-N 1 1 354.410 3.115 20 5 FGBDMO Cc1ccnc([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000581259526 505945813 /nfs/dbraw/zinc/94/58/13/505945813.db2.gz MBVAKSJLHKZYER-CABCVRRESA-N 1 1 354.410 3.115 20 5 FGBDMO C[C@H]1C[N@H+](C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCO1 ZINC000301058027 497933233 /nfs/dbraw/zinc/93/32/33/497933233.db2.gz AZIMPZCKNITQBI-LBPRGKRZSA-N 1 1 373.375 3.303 20 5 FGBDMO O=C1Nc2ccccc2[C@@]12CC[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC000364434397 497955749 /nfs/dbraw/zinc/95/57/49/497955749.db2.gz MQDCFFNVAABCRJ-SFHVURJKSA-N 1 1 357.797 3.344 20 5 FGBDMO Cc1cccc(NC2CCN(c3nc4sccn4c3[N+](=O)[O-])CC2)[nH+]1 ZINC000301244418 498017218 /nfs/dbraw/zinc/01/72/18/498017218.db2.gz AFBUPYSPUKVVHB-UHFFFAOYSA-N 1 1 358.427 3.088 20 5 FGBDMO C[C@H](CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)[N@H+]1CCC[C@@H](C)C1 ZINC000301366060 498076717 /nfs/dbraw/zinc/07/67/17/498076717.db2.gz NPEOOPWNHNGFPF-ZIAGYGMSSA-N 1 1 362.430 3.084 20 5 FGBDMO CC(C)[N@H+]1CCCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000292632533 498087001 /nfs/dbraw/zinc/08/70/01/498087001.db2.gz YVMSOTNLVXKEIT-AWEZNQCLSA-N 1 1 359.430 3.122 20 5 FGBDMO Cc1cc(NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)ncc1[N+](=O)[O-] ZINC000301417126 498101774 /nfs/dbraw/zinc/10/17/74/498101774.db2.gz CHJDENSLAWBEPP-LJQANCHMSA-N 1 1 369.469 3.089 20 5 FGBDMO Cc1cc(NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)ncc1[N+](=O)[O-] ZINC000301417126 498101781 /nfs/dbraw/zinc/10/17/81/498101781.db2.gz CHJDENSLAWBEPP-LJQANCHMSA-N 1 1 369.469 3.089 20 5 FGBDMO Cc1cc(NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)ncc1[N+](=O)[O-] ZINC000301417126 498101791 /nfs/dbraw/zinc/10/17/91/498101791.db2.gz CHJDENSLAWBEPP-LJQANCHMSA-N 1 1 369.469 3.089 20 5 FGBDMO COc1cc(F)c([N+](=O)[O-])c(NCc2ccc(-n3cc[nH+]c3C)nc2)c1 ZINC000301449124 498114667 /nfs/dbraw/zinc/11/46/67/498114667.db2.gz RZDCLOQAPOECMG-UHFFFAOYSA-N 1 1 357.345 3.244 20 5 FGBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)Nc1ncc([N+](=O)[O-])cc1Br ZINC000301526133 498148184 /nfs/dbraw/zinc/14/81/84/498148184.db2.gz JCCWCSOFEMHJCN-MNOVXSKESA-N 1 1 357.252 3.285 20 5 FGBDMO CC(C)[N@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000301570053 498168416 /nfs/dbraw/zinc/16/84/16/498168416.db2.gz WPTWPKQLUMQLHS-LLVKDONJSA-N 1 1 357.252 3.285 20 5 FGBDMO C[C@@H]1C[N@H+](CCC2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000301594122 498179653 /nfs/dbraw/zinc/17/96/53/498179653.db2.gz YLGTUCXUCDMKGZ-GASCZTMLSA-N 1 1 365.449 3.450 20 5 FGBDMO Cc1nc(NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)ccc1[N+](=O)[O-] ZINC000301673182 498218198 /nfs/dbraw/zinc/21/81/98/498218198.db2.gz ZUCFLPDFIUDKRG-AWEZNQCLSA-N 1 1 356.426 3.131 20 5 FGBDMO Cc1nc(NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)ccc1[N+](=O)[O-] ZINC000301673182 498218202 /nfs/dbraw/zinc/21/82/02/498218202.db2.gz ZUCFLPDFIUDKRG-AWEZNQCLSA-N 1 1 356.426 3.131 20 5 FGBDMO COC(=O)c1cc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cc(C)c1[N+](=O)[O-] ZINC000301677466 498218593 /nfs/dbraw/zinc/21/85/93/498218593.db2.gz IFCDTQNRMACVND-CABCVRRESA-N 1 1 361.442 3.141 20 5 FGBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000301682809 498222201 /nfs/dbraw/zinc/22/22/01/498222201.db2.gz KJBWHNALDFDDJU-GHMZBOCLSA-N 1 1 357.252 3.285 20 5 FGBDMO O=[N+]([O-])c1cccnc1N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000301698775 498229350 /nfs/dbraw/zinc/22/93/50/498229350.db2.gz DIWGHUIHXVZMDO-QZTJIDSGSA-N 1 1 352.438 3.481 20 5 FGBDMO CC(C)[C@@]1(CO)CCC[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000293076378 498259903 /nfs/dbraw/zinc/25/99/03/498259903.db2.gz OMAZPLAHQWMGIA-LIRRHRJNSA-N 1 1 374.441 3.436 20 5 FGBDMO C[N@H+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)[C@@H](c2ccccc2)C1 ZINC000286008814 498266466 /nfs/dbraw/zinc/26/64/66/498266466.db2.gz FABPPMYGYSWWKB-CQSZACIVSA-N 1 1 355.423 3.093 20 5 FGBDMO O=[N+]([O-])c1ccc(NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c(Cl)c1 ZINC000301862304 498299619 /nfs/dbraw/zinc/29/96/19/498299619.db2.gz FNVFGTFQXSJYKC-HOTGVXAUSA-N 1 1 361.829 3.296 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](n3ncc4ccccc43)C2)c([N+](=O)[O-])c1 ZINC000365120495 498306703 /nfs/dbraw/zinc/30/67/03/498306703.db2.gz LFEKOZPVBXLBDT-MRXNPFEDSA-N 1 1 367.365 3.300 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](n3ncc4ccccc43)C2)c([N+](=O)[O-])c1 ZINC000365120495 498306709 /nfs/dbraw/zinc/30/67/09/498306709.db2.gz LFEKOZPVBXLBDT-MRXNPFEDSA-N 1 1 367.365 3.300 20 5 FGBDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000286171303 498313108 /nfs/dbraw/zinc/31/31/08/498313108.db2.gz WUBPGUJWKMHALI-CZUORRHYSA-N 1 1 360.414 3.160 20 5 FGBDMO COc1cc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000301916759 498326925 /nfs/dbraw/zinc/32/69/25/498326925.db2.gz HDCFYPJPUCPENA-CQSZACIVSA-N 1 1 359.401 3.453 20 5 FGBDMO COc1cc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000301916759 498326930 /nfs/dbraw/zinc/32/69/30/498326930.db2.gz HDCFYPJPUCPENA-CQSZACIVSA-N 1 1 359.401 3.453 20 5 FGBDMO C[C@@H]1CCC[N@H+]1C1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000301943718 498339429 /nfs/dbraw/zinc/33/94/29/498339429.db2.gz WGDGUQINUSDLRK-LLVKDONJSA-N 1 1 369.263 3.205 20 5 FGBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000302045482 498382304 /nfs/dbraw/zinc/38/23/04/498382304.db2.gz MXBDJMGEHCRRDG-CVEARBPZSA-N 1 1 374.485 3.045 20 5 FGBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000578810371 506025622 /nfs/dbraw/zinc/02/56/22/506025622.db2.gz DBRIPOZOHXXRGB-CYBMUJFWSA-N 1 1 353.438 3.248 20 5 FGBDMO COc1cccc([C@@H]2[C@H](Nc3ccc([N+](=O)[O-])cn3)CC[N@H+]2C2CC2)c1 ZINC000302063656 498392398 /nfs/dbraw/zinc/39/23/98/498392398.db2.gz RVIPWQUHVXZCBA-IEBWSBKVSA-N 1 1 354.410 3.388 20 5 FGBDMO Cc1ccc(N2CCC(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)[nH+]c1 ZINC000361476115 498396442 /nfs/dbraw/zinc/39/64/42/498396442.db2.gz AJQLSIYQSQNIMX-UHFFFAOYSA-N 1 1 374.828 3.350 20 5 FGBDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000361672864 498418761 /nfs/dbraw/zinc/41/87/61/498418761.db2.gz YRNSUJDIXKOVQD-MJGOQNOKSA-N 1 1 366.421 3.055 20 5 FGBDMO CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)Nc1ncc([N+](=O)[O-])cn1 ZINC000302177881 498430806 /nfs/dbraw/zinc/43/08/06/498430806.db2.gz XVFISSPQGQCDJP-QGZVFWFLSA-N 1 1 355.442 3.270 20 5 FGBDMO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000331738662 498438297 /nfs/dbraw/zinc/43/82/97/498438297.db2.gz WGLYNXBXSCBLGP-AWEZNQCLSA-N 1 1 371.359 3.147 20 5 FGBDMO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000331738662 498438303 /nfs/dbraw/zinc/43/83/03/498438303.db2.gz WGLYNXBXSCBLGP-AWEZNQCLSA-N 1 1 371.359 3.147 20 5 FGBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@H+](C2CCC2)C1 ZINC000293680732 498452204 /nfs/dbraw/zinc/45/22/04/498452204.db2.gz LLMCDYDMYXAGDA-LBPRGKRZSA-N 1 1 351.834 3.195 20 5 FGBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000286680744 498474096 /nfs/dbraw/zinc/47/40/96/498474096.db2.gz VMGWBIBTZZIOBR-WIHIRCLASA-N 1 1 355.394 3.105 20 5 FGBDMO CS(=O)(=O)c1ccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000575983077 506049091 /nfs/dbraw/zinc/04/90/91/506049091.db2.gz MPVOWIGYFOISGU-HNNXBMFYSA-N 1 1 366.464 3.227 20 5 FGBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000302744577 498555695 /nfs/dbraw/zinc/55/56/95/498555695.db2.gz RSGVMUPZIUQZER-RISCZKNCSA-N 1 1 354.248 3.278 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000365676429 498593834 /nfs/dbraw/zinc/59/38/34/498593834.db2.gz MWNJQOPFODPFRW-CXAGYDPISA-N 1 1 359.451 3.388 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000302903049 498622267 /nfs/dbraw/zinc/62/22/67/498622267.db2.gz UJZOQXJRDJDLOE-GOSISDBHSA-N 1 1 355.438 3.472 20 5 FGBDMO C[C@H]([NH2+]Cc1ccncc1OC[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000287133708 498643164 /nfs/dbraw/zinc/64/31/64/498643164.db2.gz AFHGFYVHOINYQQ-LSDHHAIUSA-N 1 1 357.410 3.256 20 5 FGBDMO C[N@H+](C[C@@H]1CC12CCN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2)C1CC1 ZINC000365798449 498645411 /nfs/dbraw/zinc/64/54/11/498645411.db2.gz UYUPLQFQDIDVFA-HNNXBMFYSA-N 1 1 374.441 3.199 20 5 FGBDMO C[N@@H+](C[C@@H]1CC12CCN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2)C1CC1 ZINC000365798449 498645420 /nfs/dbraw/zinc/64/54/20/498645420.db2.gz UYUPLQFQDIDVFA-HNNXBMFYSA-N 1 1 374.441 3.199 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000303504535 498683237 /nfs/dbraw/zinc/68/32/37/498683237.db2.gz VOIYBOLKNGNVCU-QGZVFWFLSA-N 1 1 355.438 3.180 20 5 FGBDMO C[C@@H]1[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000311826402 498753889 /nfs/dbraw/zinc/75/38/89/498753889.db2.gz RHKYNAQZRWHHSO-CXAGYDPISA-N 1 1 357.385 3.127 20 5 FGBDMO Cc1nc([C@H]2CCCN2CCn2ccc([N+](=O)[O-])n2)[nH]c1-c1ccccc1 ZINC000363309652 498755737 /nfs/dbraw/zinc/75/57/37/498755737.db2.gz WPPBPPLCVRFCLS-MRXNPFEDSA-N 1 1 366.425 3.327 20 5 FGBDMO Cc1[nH]c([C@H]2CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)nc1-c1ccccc1 ZINC000363309652 498755742 /nfs/dbraw/zinc/75/57/42/498755742.db2.gz WPPBPPLCVRFCLS-MRXNPFEDSA-N 1 1 366.425 3.327 20 5 FGBDMO Cc1[nH]c([C@H]2CCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)nc1-c1ccccc1 ZINC000363309652 498755745 /nfs/dbraw/zinc/75/57/45/498755745.db2.gz WPPBPPLCVRFCLS-MRXNPFEDSA-N 1 1 366.425 3.327 20 5 FGBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000312641973 498761043 /nfs/dbraw/zinc/76/10/43/498761043.db2.gz JRQZSZZCDLVMOA-INIZCTEOSA-N 1 1 371.412 3.376 20 5 FGBDMO C[C@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312597032 498761662 /nfs/dbraw/zinc/76/16/62/498761662.db2.gz XRHVIQKQUQTILM-YOEHRIQHSA-N 1 1 368.437 3.016 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000298804044 498884067 /nfs/dbraw/zinc/88/40/67/498884067.db2.gz ZFFKAKMVFVEQCY-MRXNPFEDSA-N 1 1 358.398 3.097 20 5 FGBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291377357 498916932 /nfs/dbraw/zinc/91/69/32/498916932.db2.gz BMHSESOUZMWENJ-STQMWFEESA-N 1 1 358.225 3.258 20 5 FGBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cnc(Br)s1 ZINC000295317301 498976941 /nfs/dbraw/zinc/97/69/41/498976941.db2.gz NUZKWMKCVCRDND-UHFFFAOYSA-N 1 1 356.245 3.488 20 5 FGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cnc(Br)s1 ZINC000295317301 498976945 /nfs/dbraw/zinc/97/69/45/498976945.db2.gz NUZKWMKCVCRDND-UHFFFAOYSA-N 1 1 356.245 3.488 20 5 FGBDMO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000283816988 498991742 /nfs/dbraw/zinc/99/17/42/498991742.db2.gz CHNBVYOACGIGRO-GFCCVEGCSA-N 1 1 366.414 3.378 20 5 FGBDMO Cc1cc(F)c(NC(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000283925795 499014587 /nfs/dbraw/zinc/01/45/87/499014587.db2.gz KIYMZTJQMZZOHP-CQSZACIVSA-N 1 1 350.350 3.060 20 5 FGBDMO C[N@@H+]1CC[C@@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000366798261 499077714 /nfs/dbraw/zinc/07/77/14/499077714.db2.gz YZZUPGUYSJLUFU-WBVHZDCISA-N 1 1 361.348 3.048 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000366798261 499077716 /nfs/dbraw/zinc/07/77/16/499077716.db2.gz YZZUPGUYSJLUFU-WBVHZDCISA-N 1 1 361.348 3.048 20 5 FGBDMO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000295772237 499099097 /nfs/dbraw/zinc/09/90/97/499099097.db2.gz SQCHNCMTPBVROK-CWSCBRNRSA-N 1 1 359.348 3.245 20 5 FGBDMO CC(=O)NCc1ccc([C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)o1 ZINC000366914078 499114334 /nfs/dbraw/zinc/11/43/34/499114334.db2.gz VGHVHZQKNXUJFA-QGZVFWFLSA-N 1 1 361.373 3.300 20 5 FGBDMO CC(=O)NCc1ccc([C@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)o1 ZINC000366914078 499114338 /nfs/dbraw/zinc/11/43/38/499114338.db2.gz VGHVHZQKNXUJFA-QGZVFWFLSA-N 1 1 361.373 3.300 20 5 FGBDMO O=C(NC1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1)C1CCCCC1 ZINC000372690768 499161519 /nfs/dbraw/zinc/16/15/19/499161519.db2.gz IJZUVPAOUBSYSH-UHFFFAOYSA-N 1 1 363.433 3.395 20 5 FGBDMO C[N@H+]1CC[C@@H](CNc2nc3ccccc3cc2[N+](=O)[O-])[C@@H]1c1cccnc1 ZINC000372751456 499170673 /nfs/dbraw/zinc/17/06/73/499170673.db2.gz MYJMUFAPFCJCGV-LPHOPBHVSA-N 1 1 363.421 3.065 20 5 FGBDMO Cc1cc(C2=CC[N@H+](Cc3cnc([C@H](C)O)s3)CC2)cc([N+](=O)[O-])c1N ZINC000367377378 499191444 /nfs/dbraw/zinc/19/14/44/499191444.db2.gz JTUDXQKJBBGQSH-LBPRGKRZSA-N 1 1 374.466 3.285 20 5 FGBDMO Cc1cc(C2=CC[N@@H+](Cc3cnc([C@H](C)O)s3)CC2)cc([N+](=O)[O-])c1N ZINC000367377378 499191445 /nfs/dbraw/zinc/19/14/45/499191445.db2.gz JTUDXQKJBBGQSH-LBPRGKRZSA-N 1 1 374.466 3.285 20 5 FGBDMO COc1cc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cc2c1OCCO2 ZINC000570318575 506140298 /nfs/dbraw/zinc/14/02/98/506140298.db2.gz ISOZYFNMEYSULZ-UHFFFAOYSA-N 1 1 358.394 3.049 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000371488139 499333151 /nfs/dbraw/zinc/33/31/51/499333151.db2.gz JDOIJTYYIOYOFS-XJKSGUPXSA-N 1 1 363.483 3.262 20 5 FGBDMO CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000369510839 499410693 /nfs/dbraw/zinc/41/06/93/499410693.db2.gz RITMEGLNSXGSGP-IJDCCNJMSA-N 1 1 354.410 3.058 20 5 FGBDMO Cc1nc2c(s1)CCC[C@@H]2C[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000369540730 499414569 /nfs/dbraw/zinc/41/45/69/499414569.db2.gz KKEOIMKEKJRMMO-GDBMZVCRSA-N 1 1 361.467 3.445 20 5 FGBDMO C[N@H+]1CC[C@@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@H]1c1cccs1 ZINC000369544224 499415318 /nfs/dbraw/zinc/41/53/18/499415318.db2.gz RWLIMZFTQOLZOI-YOEHRIQHSA-N 1 1 374.466 3.149 20 5 FGBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3c[nH]nc3-c3ccccc3)C2)c1 ZINC000372275532 499415800 /nfs/dbraw/zinc/41/58/00/499415800.db2.gz WXMGCCUUZCHYQI-MRXNPFEDSA-N 1 1 352.398 3.019 20 5 FGBDMO Cc1c(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccs2)cccc1[N+](=O)[O-] ZINC000369568522 499419519 /nfs/dbraw/zinc/41/95/19/499419519.db2.gz LFKCXXXOZCKJCE-SUMWQHHRSA-N 1 1 359.451 3.388 20 5 FGBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)n1 ZINC000373240563 499459281 /nfs/dbraw/zinc/45/92/81/499459281.db2.gz HODOVQBVAVZBHP-UHFFFAOYSA-N 1 1 365.777 3.190 20 5 FGBDMO C[C@@H](C(=O)N1CCC([N@H+]2CCC[C@@H]2C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000373258156 499460222 /nfs/dbraw/zinc/46/02/22/499460222.db2.gz GSILMLAKNKYSBD-UONOGXRCSA-N 1 1 363.433 3.313 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1c1ccc(CNC(C)=O)o1 ZINC000373771527 499487269 /nfs/dbraw/zinc/48/72/69/499487269.db2.gz MQHLVTXNNDBAML-QGZVFWFLSA-N 1 1 373.409 3.170 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1c1ccc(CNC(C)=O)o1 ZINC000373771527 499487270 /nfs/dbraw/zinc/48/72/70/499487270.db2.gz MQHLVTXNNDBAML-QGZVFWFLSA-N 1 1 373.409 3.170 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000375242861 499498508 /nfs/dbraw/zinc/49/85/08/499498508.db2.gz RFDRDHFSSLCKTL-HNNXBMFYSA-N 1 1 361.442 3.123 20 5 FGBDMO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000398005745 499565845 /nfs/dbraw/zinc/56/58/45/499565845.db2.gz YUWXETSWLPGYAH-UWJYYQICSA-N 1 1 369.465 3.474 20 5 FGBDMO C[C@H]1OCC[C@@]1(O)C[N@@H+](Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000573249386 506153422 /nfs/dbraw/zinc/15/34/22/506153422.db2.gz HRLXSTRXNDXJEX-OXQOHEQNSA-N 1 1 356.422 3.137 20 5 FGBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@H]1C ZINC000410642988 499672197 /nfs/dbraw/zinc/67/21/97/499672197.db2.gz ZKAXQQIKIIUUNF-QWRGUYRKSA-N 1 1 359.348 3.168 20 5 FGBDMO Cc1ccc([C@@H](c2ccccn2)[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000377933208 499749391 /nfs/dbraw/zinc/74/93/91/499749391.db2.gz UAORYFDTILNIKN-IBGZPJMESA-N 1 1 351.410 3.216 20 5 FGBDMO CN(Cc1ccc(F)cc1)C(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000411754214 499786939 /nfs/dbraw/zinc/78/69/39/499786939.db2.gz DTDBTMFOVOZBCL-UHFFFAOYSA-N 1 1 359.401 3.217 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000411767667 499788406 /nfs/dbraw/zinc/78/84/06/499788406.db2.gz BNMHIWFCOMTCSC-GOEBONIOSA-N 1 1 361.442 3.443 20 5 FGBDMO Cc1cc(C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000412695175 499876566 /nfs/dbraw/zinc/87/65/66/499876566.db2.gz IUAINFXFOYIZFY-MRXNPFEDSA-N 1 1 353.422 3.250 20 5 FGBDMO Cc1cc(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000412695175 499876567 /nfs/dbraw/zinc/87/65/67/499876567.db2.gz IUAINFXFOYIZFY-MRXNPFEDSA-N 1 1 353.422 3.250 20 5 FGBDMO CC[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)C1 ZINC000412883287 499893307 /nfs/dbraw/zinc/89/33/07/499893307.db2.gz WABBJXYBKYMDFE-ZDUSSCGKSA-N 1 1 351.472 3.167 20 5 FGBDMO CCOc1cc(CN2CC[NH+](Cc3ccsc3)CC2)ccc1[N+](=O)[O-] ZINC000579425747 506170616 /nfs/dbraw/zinc/17/06/16/506170616.db2.gz UIXYLSHUNSIQFI-UHFFFAOYSA-N 1 1 361.467 3.373 20 5 FGBDMO Cc1ccc(C[N@@H+](C)CCCN2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] ZINC000425365134 500085074 /nfs/dbraw/zinc/08/50/74/500085074.db2.gz IXTITGXAMTUELI-UHFFFAOYSA-N 1 1 367.405 3.021 20 5 FGBDMO CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425424274 500102327 /nfs/dbraw/zinc/10/23/27/500102327.db2.gz WNJGGHDXWLEQNZ-ZFWWWQNUSA-N 1 1 357.248 3.483 20 5 FGBDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425424274 500102330 /nfs/dbraw/zinc/10/23/30/500102330.db2.gz WNJGGHDXWLEQNZ-ZFWWWQNUSA-N 1 1 357.248 3.483 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCc2cccc(C)c2C1 ZINC000429563103 500103449 /nfs/dbraw/zinc/10/34/49/500103449.db2.gz BFUAXLBKFFCSCS-UHFFFAOYSA-N 1 1 369.421 3.299 20 5 FGBDMO COC(=O)[C@H](C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)c1ccccc1 ZINC000430212058 500209970 /nfs/dbraw/zinc/20/99/70/500209970.db2.gz ZCKXLRRYRDZNJZ-ACJLOTCBSA-N 1 1 358.394 3.243 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCSC[C@@H]2C2CCC2)c2c(c1)COCO2 ZINC000418124204 500233110 /nfs/dbraw/zinc/23/31/10/500233110.db2.gz HGWJFRGZHNVKKR-MRXNPFEDSA-N 1 1 350.440 3.179 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCSC[C@@H]2C2CCC2)c2c(c1)COCO2 ZINC000418124204 500233113 /nfs/dbraw/zinc/23/31/13/500233113.db2.gz HGWJFRGZHNVKKR-MRXNPFEDSA-N 1 1 350.440 3.179 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCSCc3ccccc3)C2)nc1 ZINC000430748997 500279203 /nfs/dbraw/zinc/27/92/03/500279203.db2.gz HHYHBBHSFKMRPC-INIZCTEOSA-N 1 1 358.467 3.409 20 5 FGBDMO Cc1cc(OCC(=O)NCCC[N@H+](C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000431555947 500391658 /nfs/dbraw/zinc/39/16/58/500391658.db2.gz JUQIHTUXVXUBTK-UHFFFAOYSA-N 1 1 363.458 3.053 20 5 FGBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000431778744 500424060 /nfs/dbraw/zinc/42/40/60/500424060.db2.gz MVYXQVJHTADZHQ-LSDHHAIUSA-N 1 1 362.474 3.250 20 5 FGBDMO Cc1cnc(NC[C@H]2CSCC[N@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000428676131 500542135 /nfs/dbraw/zinc/54/21/35/500542135.db2.gz AZIXRBXJDSCBLX-INIZCTEOSA-N 1 1 358.467 3.328 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3nc4ccc(F)cc4s3)C2)nc1 ZINC000432748225 500556581 /nfs/dbraw/zinc/55/65/81/500556581.db2.gz NVLGGOIPRVBLTA-GFCCVEGCSA-N 1 1 373.413 3.425 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3nc4ccc(F)cc4s3)C2)nc1 ZINC000432748225 500556583 /nfs/dbraw/zinc/55/65/83/500556583.db2.gz NVLGGOIPRVBLTA-GFCCVEGCSA-N 1 1 373.413 3.425 20 5 FGBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437200923 500613099 /nfs/dbraw/zinc/61/30/99/500613099.db2.gz VUVNZYUYDCGXFB-RYUDHWBXSA-N 1 1 373.375 3.464 20 5 FGBDMO CCc1ccc([C@H]2CC[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000433069798 500618728 /nfs/dbraw/zinc/61/87/28/500618728.db2.gz WCEVMTKXJUWQQU-RBUKOAKNSA-N 1 1 370.449 3.386 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(Oc2ncccc2C)CC1 ZINC000576673008 506208127 /nfs/dbraw/zinc/20/81/27/506208127.db2.gz JALRTUYCSBOHFZ-UHFFFAOYSA-N 1 1 357.410 3.350 20 5 FGBDMO O=[N+]([O-])c1ccc(OCC[N@@H+](CCc2ccccc2)[C@H]2CCOC2)cc1 ZINC000437525192 500655398 /nfs/dbraw/zinc/65/53/98/500655398.db2.gz OSFOFUOFTYLXQX-IBGZPJMESA-N 1 1 356.422 3.307 20 5 FGBDMO COc1ccc(OCC[N@H+]2CCS[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000437545514 500658843 /nfs/dbraw/zinc/65/88/43/500658843.db2.gz ZNBLAHZHVJRCOQ-RHSMWYFYSA-N 1 1 352.456 3.342 20 5 FGBDMO C[C@H]1OCC[C@@]1(O)C[N@H+](Cc1ccccc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000447922270 500690456 /nfs/dbraw/zinc/69/04/56/500690456.db2.gz ADRZJEKEVUCUSU-FOIQADDNSA-N 1 1 374.412 3.276 20 5 FGBDMO C[C@H]1OCC[C@@]1(O)C[N@@H+](Cc1ccccc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000447922270 500690459 /nfs/dbraw/zinc/69/04/59/500690459.db2.gz ADRZJEKEVUCUSU-FOIQADDNSA-N 1 1 374.412 3.276 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(N3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)n2)cc1 ZINC000448058181 500713382 /nfs/dbraw/zinc/71/33/82/500713382.db2.gz KCQUWDICPPTTBZ-YOEHRIQHSA-N 1 1 369.425 3.098 20 5 FGBDMO Cc1c(CC(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000438901436 500833715 /nfs/dbraw/zinc/83/37/15/500833715.db2.gz IJMOMFLUBHUXDE-QFBILLFUSA-N 1 1 367.449 3.397 20 5 FGBDMO COc1cc(C[N@@H+](C[C@@H](O)COc2ccccc2)C(C)C)ccc1[N+](=O)[O-] ZINC000444816836 500906845 /nfs/dbraw/zinc/90/68/45/500906845.db2.gz ZDIVHOMHCMDSJA-QGZVFWFLSA-N 1 1 374.437 3.254 20 5 FGBDMO CCOc1ccc2c(c1)CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000441104776 501088952 /nfs/dbraw/zinc/08/89/52/501088952.db2.gz NKYQLKZTEAKQBI-UHFFFAOYSA-N 1 1 369.421 3.380 20 5 FGBDMO COc1ccccc1C[NH+]1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000441483685 501146692 /nfs/dbraw/zinc/14/66/92/501146692.db2.gz WNQDHKHOIZVHAK-MRXNPFEDSA-N 1 1 355.438 3.482 20 5 FGBDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000592777794 506239861 /nfs/dbraw/zinc/23/98/61/506239861.db2.gz XCYHBXMMUVVUMO-AWEZNQCLSA-N 1 1 356.426 3.496 20 5 FGBDMO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000451182242 501250559 /nfs/dbraw/zinc/25/05/59/501250559.db2.gz IRJPZWCTEBPGKV-GLJUWKHASA-N 1 1 353.422 3.460 20 5 FGBDMO C[C@@]12C[N@@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451359165 501274321 /nfs/dbraw/zinc/27/43/21/501274321.db2.gz CMVRKIZTALXQAK-DFHZNHDVSA-N 1 1 352.394 3.289 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@@H]3[C@@H]3CCC[C@@H]3O)o2)c1 ZINC000451414802 501287263 /nfs/dbraw/zinc/28/72/63/501287263.db2.gz DTCKYKBTMGKKRW-KSZLIROESA-N 1 1 371.437 3.418 20 5 FGBDMO O=[N+]([O-])c1cccc([C@@H](N[C@H]2CCC[N@@H+](CCCO)C2)c2ccccc2)c1 ZINC000453280519 501307105 /nfs/dbraw/zinc/30/71/05/501307105.db2.gz BXXNYXOJOYPMHN-FPOVZHCZSA-N 1 1 369.465 3.121 20 5 FGBDMO CCO[C@@H]1CC[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000451550581 501321047 /nfs/dbraw/zinc/32/10/47/501321047.db2.gz XAWPDOJZRCCTBV-XJKCOSOUSA-N 1 1 360.414 3.453 20 5 FGBDMO COC(=O)c1c(Cl)c(N[C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000596082127 506247072 /nfs/dbraw/zinc/24/70/72/506247072.db2.gz GYDRFTWPJNSEHA-QWRGUYRKSA-N 1 1 353.806 3.074 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+](C)C(C)(C)CO)cc1OC ZINC000611662246 506247452 /nfs/dbraw/zinc/24/74/52/506247452.db2.gz DKUBASQDDGBBLN-ZDUSSCGKSA-N 1 1 354.447 3.231 20 5 FGBDMO C[N@H+]1CCC[C@@H](CCNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000458171921 501384325 /nfs/dbraw/zinc/38/43/25/501384325.db2.gz BEVYZHKYOFOSRQ-NSHDSACASA-N 1 1 359.348 3.075 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC3(CCC3)[C@H]2c2ccco2)c1 ZINC000451845334 501384920 /nfs/dbraw/zinc/38/49/20/501384920.db2.gz UUNKNXKKWVPLOE-CRAIPNDOSA-N 1 1 358.394 3.155 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC3(CCC3)[C@H]2c2ccco2)c1 ZINC000451845334 501384923 /nfs/dbraw/zinc/38/49/23/501384923.db2.gz UUNKNXKKWVPLOE-CRAIPNDOSA-N 1 1 358.394 3.155 20 5 FGBDMO Cc1cc(N2CC[NH+](CCCOCC(F)(F)F)CC2)c([N+](=O)[O-])s1 ZINC000596087906 506250052 /nfs/dbraw/zinc/25/00/52/506250052.db2.gz KOUVOGWAIVPSBS-UHFFFAOYSA-N 1 1 367.393 3.056 20 5 FGBDMO CO[C@H]1C[C@H]([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000451862941 501388196 /nfs/dbraw/zinc/38/81/96/501388196.db2.gz YKQUNGYNDXIADE-GJZGRUSLSA-N 1 1 367.833 3.076 20 5 FGBDMO CO[C@H]1C[C@H]([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000451862941 501388198 /nfs/dbraw/zinc/38/81/98/501388198.db2.gz YKQUNGYNDXIADE-GJZGRUSLSA-N 1 1 367.833 3.076 20 5 FGBDMO COC(=O)[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccccc1 ZINC000452002418 501416922 /nfs/dbraw/zinc/41/69/22/501416922.db2.gz HMKMTCFHHJIJJU-RTBURBONSA-N 1 1 354.406 3.026 20 5 FGBDMO CC[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)C1 ZINC000596094020 506253596 /nfs/dbraw/zinc/25/35/96/506253596.db2.gz GYOJNFZIWCLJOT-NSHDSACASA-N 1 1 355.822 3.179 20 5 FGBDMO C[N@H+](CC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)Cc1ccccc1 ZINC000452838116 501571154 /nfs/dbraw/zinc/57/11/54/501571154.db2.gz FBLCSMPDCVQJMQ-IBGZPJMESA-N 1 1 367.449 3.433 20 5 FGBDMO C[N@@H+](CC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)Cc1ccccc1 ZINC000452838116 501571157 /nfs/dbraw/zinc/57/11/57/501571157.db2.gz FBLCSMPDCVQJMQ-IBGZPJMESA-N 1 1 367.449 3.433 20 5 FGBDMO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C[N@H+]1C1CC1 ZINC000454651926 501601811 /nfs/dbraw/zinc/60/18/11/501601811.db2.gz HBMQJJYAEXHTRN-DJIMGWMZSA-N 1 1 372.469 3.109 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](n1cccn1)C(F)(F)F ZINC000598989963 506265423 /nfs/dbraw/zinc/26/54/23/506265423.db2.gz XPLKMCXHUWEKGU-CQSZACIVSA-N 1 1 358.320 3.083 20 5 FGBDMO CCN1C[C@H](C)[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)C1 ZINC000459485278 501661602 /nfs/dbraw/zinc/66/16/02/501661602.db2.gz TZFBHANFMAOYKY-GJZGRUSLSA-N 1 1 358.442 3.207 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@@](C)(C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1F ZINC000459554774 501675323 /nfs/dbraw/zinc/67/53/23/501675323.db2.gz AVUVVXPNZMDIHE-GOSISDBHSA-N 1 1 368.405 3.296 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@](C)(C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1F ZINC000459554774 501675324 /nfs/dbraw/zinc/67/53/24/501675324.db2.gz AVUVVXPNZMDIHE-GOSISDBHSA-N 1 1 368.405 3.296 20 5 FGBDMO CN(C(=O)C[N@@H+]1Cc2sccc2CC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000459582369 501681004 /nfs/dbraw/zinc/68/10/04/501681004.db2.gz NOEGHVDUOMXKQV-UHFFFAOYSA-N 1 1 359.451 3.456 20 5 FGBDMO CN(C(=O)C[N@H+]1Cc2sccc2CC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000459582369 501681005 /nfs/dbraw/zinc/68/10/05/501681005.db2.gz NOEGHVDUOMXKQV-UHFFFAOYSA-N 1 1 359.451 3.456 20 5 FGBDMO COc1cc(CC2C[NH+](Cc3ccc(OC)c([N+](=O)[O-])c3)C2)cc(OC)c1 ZINC000459615797 501687491 /nfs/dbraw/zinc/68/74/91/501687491.db2.gz ZEMRKCRKQXBMOA-UHFFFAOYSA-N 1 1 372.421 3.295 20 5 FGBDMO C[C@@H]([NH2+][C@@H](C)c1nc2c(s1)CCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000459641498 501691926 /nfs/dbraw/zinc/69/19/26/501691926.db2.gz YMBWRCVRDDMBEZ-MNOVXSKESA-N 1 1 360.439 3.218 20 5 FGBDMO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000459673656 501697002 /nfs/dbraw/zinc/69/70/02/501697002.db2.gz JJMPBICTFVBSBK-QZTJIDSGSA-N 1 1 353.422 3.462 20 5 FGBDMO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000459763826 501710698 /nfs/dbraw/zinc/71/06/98/501710698.db2.gz XHRGQYNQWMEWDJ-KBXCAEBGSA-N 1 1 362.401 3.037 20 5 FGBDMO COc1cc(C[N@@H+](C)C[C@H](C)C(=O)OC(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000459782016 501713256 /nfs/dbraw/zinc/71/32/56/501713256.db2.gz XABOTQAXPJMIEK-LBPRGKRZSA-N 1 1 368.430 3.022 20 5 FGBDMO CN(c1ncnc2ccc([N+](=O)[O-])cc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000611712035 506269229 /nfs/dbraw/zinc/26/92/29/506269229.db2.gz UFDUOKAVAZCRHD-QGZVFWFLSA-N 1 1 363.421 3.249 20 5 FGBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000463451988 501728175 /nfs/dbraw/zinc/72/81/75/501728175.db2.gz HSNVHALOKRSUGW-NRFANRHFSA-N 1 1 370.449 3.291 20 5 FGBDMO C[C@]1(Cc2ccccc2)CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000467219684 501741403 /nfs/dbraw/zinc/74/14/03/501741403.db2.gz URXYMEGSEJNPGQ-PZJWPPBQSA-N 1 1 370.449 3.432 20 5 FGBDMO C[N@H+]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C2(CCCCC2)C1 ZINC000467469118 501802022 /nfs/dbraw/zinc/80/20/22/501802022.db2.gz ROOCPSBRYRSGBX-UHFFFAOYSA-N 1 1 374.485 3.264 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+]3CCCC[C@H]23)nc1-c1ccc(F)cc1 ZINC000485400017 501809769 /nfs/dbraw/zinc/80/97/69/501809769.db2.gz QCEXARSPRJEORY-HZPDHXFCSA-N 1 1 356.401 3.257 20 5 FGBDMO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000470938822 501862045 /nfs/dbraw/zinc/86/20/45/501862045.db2.gz ZTBBULCRNTXLMG-CMPLNLGQSA-N 1 1 373.331 3.166 20 5 FGBDMO COc1cc(C[N@H+](C)C[C@H]2OCCc3ccccc32)c([N+](=O)[O-])cc1F ZINC000464104052 501900201 /nfs/dbraw/zinc/90/02/01/501900201.db2.gz ANPVDNBHCCRXHM-LJQANCHMSA-N 1 1 360.385 3.488 20 5 FGBDMO COc1cc(C[N@@H+](C)C[C@H]2OCCc3ccccc32)c([N+](=O)[O-])cc1F ZINC000464104052 501900205 /nfs/dbraw/zinc/90/02/05/501900205.db2.gz ANPVDNBHCCRXHM-LJQANCHMSA-N 1 1 360.385 3.488 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)c1 ZINC000611754164 506285617 /nfs/dbraw/zinc/28/56/17/506285617.db2.gz AIFMERGZZJIOKP-KRWDZBQOSA-N 1 1 369.421 3.092 20 5 FGBDMO COc1cc(C[N@@H+]2CCC[C@H](CC(=O)OC(C)C)C2)ccc1[N+](=O)[O-] ZINC000464499308 502007210 /nfs/dbraw/zinc/00/72/10/502007210.db2.gz MUBOSFRCHZDXFG-CQSZACIVSA-N 1 1 350.415 3.157 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@H](CC(=O)OC(C)C)C2)ccc1[N+](=O)[O-] ZINC000464499308 502007214 /nfs/dbraw/zinc/00/72/14/502007214.db2.gz MUBOSFRCHZDXFG-CQSZACIVSA-N 1 1 350.415 3.157 20 5 FGBDMO C[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@H]1C ZINC000478615735 502033767 /nfs/dbraw/zinc/03/37/67/502033767.db2.gz NZDXURRKUORDRH-ZIAGYGMSSA-N 1 1 351.472 3.066 20 5 FGBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000461257129 502053487 /nfs/dbraw/zinc/05/34/87/502053487.db2.gz LKJNQRQEVCDAED-CQSZACIVSA-N 1 1 351.472 3.020 20 5 FGBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000468469714 502068610 /nfs/dbraw/zinc/06/86/10/502068610.db2.gz MUXRZXSFYJOJRW-CYBMUJFWSA-N 1 1 373.375 3.464 20 5 FGBDMO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000482493102 502086607 /nfs/dbraw/zinc/08/66/07/502086607.db2.gz FIMYWWHRILZUPC-JKSUJKDBSA-N 1 1 364.442 3.261 20 5 FGBDMO C[C@H]1[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCC[N@H+]1C ZINC000475193003 502094772 /nfs/dbraw/zinc/09/47/72/502094772.db2.gz NPUANMYCMDTWOY-CABZTGNLSA-N 1 1 360.336 3.218 20 5 FGBDMO CO[C@@]1(C)C[C@H]([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1(C)C ZINC000464827302 502108792 /nfs/dbraw/zinc/10/87/92/502108792.db2.gz HBURJQIORSHENM-LPHOPBHVSA-N 1 1 363.458 3.367 20 5 FGBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](c2ccco2)C1 ZINC000464856946 502124488 /nfs/dbraw/zinc/12/44/88/502124488.db2.gz NDBYFBSSDPPXPS-QGPMSJSTSA-N 1 1 360.410 3.401 20 5 FGBDMO CCCN1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1=O ZINC000471799996 502140361 /nfs/dbraw/zinc/14/03/61/502140361.db2.gz SIBWIISVFQAVMA-UHFFFAOYSA-N 1 1 357.410 3.299 20 5 FGBDMO CCCN1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1=O ZINC000471799996 502140369 /nfs/dbraw/zinc/14/03/69/502140369.db2.gz SIBWIISVFQAVMA-UHFFFAOYSA-N 1 1 357.410 3.299 20 5 FGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000602785028 506298255 /nfs/dbraw/zinc/29/82/55/506298255.db2.gz RNBFXXSRUSHAMB-AWEZNQCLSA-N 1 1 355.398 3.121 20 5 FGBDMO Cc1cc(NCc2cccc(C[NH+]3CCOCC3)c2)c(F)cc1[N+](=O)[O-] ZINC000461782699 502199657 /nfs/dbraw/zinc/19/96/57/502199657.db2.gz FJOMLTLUKBWOLS-UHFFFAOYSA-N 1 1 359.401 3.487 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+](C)Cc2ccccc2C)cc1[N+](=O)[O-] ZINC000475576505 502217949 /nfs/dbraw/zinc/21/79/49/502217949.db2.gz UPDRPFNCSOAQSY-UHFFFAOYSA-N 1 1 358.394 3.087 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000475581332 502219242 /nfs/dbraw/zinc/21/92/42/502219242.db2.gz IYDFYFHQZUBOFS-HNNXBMFYSA-N 1 1 350.415 3.157 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000483106767 502274980 /nfs/dbraw/zinc/27/49/80/502274980.db2.gz PGTMNFKVUFAMRL-HNNXBMFYSA-N 1 1 357.385 3.470 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000483106767 502274982 /nfs/dbraw/zinc/27/49/82/502274982.db2.gz PGTMNFKVUFAMRL-HNNXBMFYSA-N 1 1 357.385 3.470 20 5 FGBDMO CC(C)[C@H]1CN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC[N@H+]1C ZINC000487136375 502369386 /nfs/dbraw/zinc/36/93/86/502369386.db2.gz JXAFGAQJNOERIU-GOSISDBHSA-N 1 1 370.453 3.345 20 5 FGBDMO CC(C)[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[N@H+]1C ZINC000487222314 502394793 /nfs/dbraw/zinc/39/47/93/502394793.db2.gz QOEDKZDFZSAINE-CQSZACIVSA-N 1 1 374.363 3.418 20 5 FGBDMO Cc1cccc(C[NH+]2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000462385652 502416371 /nfs/dbraw/zinc/41/63/71/502416371.db2.gz BCROIDOIVHYMLU-UHFFFAOYSA-N 1 1 367.449 3.099 20 5 FGBDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000462503910 502467867 /nfs/dbraw/zinc/46/78/67/502467867.db2.gz RCPAPQASXUGOIX-KRWDZBQOSA-N 1 1 370.453 3.347 20 5 FGBDMO C[C@H](C[N@@H+](C)CCn1cc([N+](=O)[O-])cn1)Oc1ccc(Cl)c(Cl)c1 ZINC000469739868 502526046 /nfs/dbraw/zinc/52/60/46/502526046.db2.gz QUBLYBBXJRDPQF-LLVKDONJSA-N 1 1 373.240 3.497 20 5 FGBDMO CCn1nc(C)c([N+](=O)[O-])c1NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000480330031 502539187 /nfs/dbraw/zinc/53/91/87/502539187.db2.gz REZZUPCLHZLTIS-UHFFFAOYSA-N 1 1 363.849 3.243 20 5 FGBDMO CCn1nc(C)c([N+](=O)[O-])c1NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000480330031 502539192 /nfs/dbraw/zinc/53/91/92/502539192.db2.gz REZZUPCLHZLTIS-UHFFFAOYSA-N 1 1 363.849 3.243 20 5 FGBDMO C[C@@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000487861135 502549679 /nfs/dbraw/zinc/54/96/79/502549679.db2.gz QUBOIGZCSJQAGN-CABCVRRESA-N 1 1 362.474 3.392 20 5 FGBDMO O=c1c2ccccc2n(Cc2[nH+]ccn2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000487887651 502556767 /nfs/dbraw/zinc/55/67/67/502556767.db2.gz YKDHEHGLOIZNLY-UHFFFAOYSA-N 1 1 360.373 3.203 20 5 FGBDMO Cc1c([C@H](C)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000484181238 502594568 /nfs/dbraw/zinc/59/45/68/502594568.db2.gz VTNBRWZHDZGLTB-LAUBAEHRSA-N 1 1 369.465 3.191 20 5 FGBDMO Cc1c([C@H](C)[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000484181238 502594574 /nfs/dbraw/zinc/59/45/74/502594574.db2.gz VTNBRWZHDZGLTB-LAUBAEHRSA-N 1 1 369.465 3.191 20 5 FGBDMO COCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[C@@H]1C ZINC000488008925 502599252 /nfs/dbraw/zinc/59/92/52/502599252.db2.gz MLENDNYAPKHSCH-BLLLJJGKSA-N 1 1 369.849 3.324 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000462990404 502651552 /nfs/dbraw/zinc/65/15/52/502651552.db2.gz RVSAPRVHTYVXJN-WDYCEAGBSA-N 1 1 361.486 3.495 20 5 FGBDMO CCCCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1(C)C ZINC000477058899 502665028 /nfs/dbraw/zinc/66/50/28/502665028.db2.gz QOCCPMSSXIGYSV-IRXDYDNUSA-N 1 1 363.458 3.109 20 5 FGBDMO CCN1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1=O ZINC000470153147 502681343 /nfs/dbraw/zinc/68/13/43/502681343.db2.gz QXRWXPLBMBVACW-UHFFFAOYSA-N 1 1 359.451 3.378 20 5 FGBDMO CCN1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1=O ZINC000470153147 502681345 /nfs/dbraw/zinc/68/13/45/502681345.db2.gz QXRWXPLBMBVACW-UHFFFAOYSA-N 1 1 359.451 3.378 20 5 FGBDMO COc1ccc([C@H](C)[N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC000484628142 502688902 /nfs/dbraw/zinc/68/89/02/502688902.db2.gz GZHHPLWXVXXOEY-AWEZNQCLSA-N 1 1 369.421 3.186 20 5 FGBDMO COc1ccc([C@H](C)[N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC000484628142 502688906 /nfs/dbraw/zinc/68/89/06/502688906.db2.gz GZHHPLWXVXXOEY-AWEZNQCLSA-N 1 1 369.421 3.186 20 5 FGBDMO COc1ccnc(N2CC[NH+](C/C(C)=C/c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000470172216 502693067 /nfs/dbraw/zinc/69/30/67/502693067.db2.gz TUSOUSKUEOJTSX-FOWTUZBSSA-N 1 1 368.437 3.224 20 5 FGBDMO CCCC[N@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000470173168 502693139 /nfs/dbraw/zinc/69/31/39/502693139.db2.gz JBVBJELPSWQPNE-OTMARIDSSA-N 1 1 366.483 3.287 20 5 FGBDMO CCCC[N@@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000470173168 502693140 /nfs/dbraw/zinc/69/31/40/502693140.db2.gz JBVBJELPSWQPNE-OTMARIDSSA-N 1 1 366.483 3.287 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(CN2CCOCC2)CC1 ZINC000470174316 502694630 /nfs/dbraw/zinc/69/46/30/502694630.db2.gz JWQCWVVYURDGQC-GHRIWEEISA-N 1 1 359.470 3.042 20 5 FGBDMO CC[N@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)[C@H](C)CS(=O)(=O)CC ZINC000470175488 502694694 /nfs/dbraw/zinc/69/46/94/502694694.db2.gz QSJDKLOVCUXPBW-YVGNARHYSA-N 1 1 354.472 3.143 20 5 FGBDMO CC[N@@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)[C@H](C)CS(=O)(=O)CC ZINC000470175488 502694698 /nfs/dbraw/zinc/69/46/98/502694698.db2.gz QSJDKLOVCUXPBW-YVGNARHYSA-N 1 1 354.472 3.143 20 5 FGBDMO CCC[C@H]1CN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC[N@H+]1CCOC ZINC000470180477 502697392 /nfs/dbraw/zinc/69/73/92/502697392.db2.gz NXGVJWLFONSEJU-NXNYUAIASA-N 1 1 361.486 3.431 20 5 FGBDMO CC[C@@H]1Cc2ccccc2C[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000466945922 502735794 /nfs/dbraw/zinc/73/57/94/502735794.db2.gz GGJHOFIAHSWQAW-IEBWSBKVSA-N 1 1 356.422 3.171 20 5 FGBDMO C[N@H+]1CC[C@@]2(CCN(c3ccc([N+](=O)[O-])c(OCc4ccccc4)n3)C2)C1 ZINC000488708995 502786887 /nfs/dbraw/zinc/78/68/87/502786887.db2.gz AOVNSHMDIYJJAQ-HXUWFJFHSA-N 1 1 368.437 3.101 20 5 FGBDMO COc1ccc(OCC[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)c([N+](=O)[O-])c1 ZINC000463417875 502792765 /nfs/dbraw/zinc/79/27/65/502792765.db2.gz YIFWAEDRVSPWJP-UHFFFAOYSA-N 1 1 370.405 3.235 20 5 FGBDMO COc1ccc(OCC[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)c([N+](=O)[O-])c1 ZINC000463417875 502792766 /nfs/dbraw/zinc/79/27/66/502792766.db2.gz YIFWAEDRVSPWJP-UHFFFAOYSA-N 1 1 370.405 3.235 20 5 FGBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000489135910 502885506 /nfs/dbraw/zinc/88/55/06/502885506.db2.gz JBFZSSVQZUXXRS-OAHLLOKOSA-N 1 1 362.474 3.394 20 5 FGBDMO COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000489226860 502905534 /nfs/dbraw/zinc/90/55/34/502905534.db2.gz SLAIXBYVXXDWDF-HNNXBMFYSA-N 1 1 372.421 3.415 20 5 FGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCN(c2ccccc2F)CC1 ZINC000513398335 502926599 /nfs/dbraw/zinc/92/65/99/502926599.db2.gz RACIFWAGHLAMNU-UHFFFAOYSA-N 1 1 359.401 3.325 20 5 FGBDMO CC(C)[C@H]1OCCC[C@H]1Nc1nc(NCc2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000509641951 502955320 /nfs/dbraw/zinc/95/53/20/502955320.db2.gz VVSMHRJAAZBAKS-SJLPKXTDSA-N 1 1 371.441 3.034 20 5 FGBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000501227314 502962515 /nfs/dbraw/zinc/96/25/15/502962515.db2.gz KEFDCSAJMPUJNO-MAUKXSAKSA-N 1 1 353.422 3.089 20 5 FGBDMO COC(=O)c1c(Cl)c(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000596295704 506344192 /nfs/dbraw/zinc/34/41/92/506344192.db2.gz CWARQHUMCKHFMK-DGCLKSJQSA-N 1 1 367.833 3.464 20 5 FGBDMO COc1cccc2c1CC[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)CC2 ZINC000489564994 502987474 /nfs/dbraw/zinc/98/74/74/502987474.db2.gz SVHVJRRDDKNUJL-UHFFFAOYSA-N 1 1 352.394 3.081 20 5 FGBDMO COc1cccc2c1CC[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)CC2 ZINC000489564994 502987481 /nfs/dbraw/zinc/98/74/81/502987481.db2.gz SVHVJRRDDKNUJL-UHFFFAOYSA-N 1 1 352.394 3.081 20 5 FGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505901616 503010030 /nfs/dbraw/zinc/01/00/30/503010030.db2.gz UKOJZYSXTBQBDP-HOTGVXAUSA-N 1 1 369.421 3.323 20 5 FGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505901616 503010035 /nfs/dbraw/zinc/01/00/35/503010035.db2.gz UKOJZYSXTBQBDP-HOTGVXAUSA-N 1 1 369.421 3.323 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000489907489 503061889 /nfs/dbraw/zinc/06/18/89/503061889.db2.gz CVHDJOFAXXSTIZ-IMJJTQAJSA-N 1 1 362.474 3.384 20 5 FGBDMO Cc1cccc(OC[C@@H](O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000490430070 503172735 /nfs/dbraw/zinc/17/27/35/503172735.db2.gz XYYFXGNIIKEUSO-IBGZPJMESA-N 1 1 356.422 3.308 20 5 FGBDMO CC(C)[N@H+](CC(N)=O)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000506804049 503175424 /nfs/dbraw/zinc/17/54/24/503175424.db2.gz DXUUAQQKAPZBJZ-UHFFFAOYSA-N 1 1 361.373 3.222 20 5 FGBDMO CC(C)[N@@H+](CC(N)=O)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000506804049 503175430 /nfs/dbraw/zinc/17/54/30/503175430.db2.gz DXUUAQQKAPZBJZ-UHFFFAOYSA-N 1 1 361.373 3.222 20 5 FGBDMO C/C(=C/c1nc([C@@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000514818223 503200658 /nfs/dbraw/zinc/20/06/58/503200658.db2.gz MPTMZWRMKJRAAG-LEVNYHHRSA-N 1 1 370.409 3.464 20 5 FGBDMO C/C(=C/c1nc([C@@H]2C[N@H+]3CCC[C@@]3(C)CO2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000514818223 503200664 /nfs/dbraw/zinc/20/06/64/503200664.db2.gz MPTMZWRMKJRAAG-LEVNYHHRSA-N 1 1 370.409 3.464 20 5 FGBDMO Cc1cc(N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)ncc1[N+](=O)[O-] ZINC000599178503 506360251 /nfs/dbraw/zinc/36/02/51/506360251.db2.gz IKHQJAVTVQLVRA-UHFFFAOYSA-N 1 1 351.410 3.102 20 5 FGBDMO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511082971 503249684 /nfs/dbraw/zinc/24/96/84/503249684.db2.gz WCSKWBNGWHJQIH-LBPRGKRZSA-N 1 1 363.364 3.375 20 5 FGBDMO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511082971 503249686 /nfs/dbraw/zinc/24/96/86/503249686.db2.gz WCSKWBNGWHJQIH-LBPRGKRZSA-N 1 1 363.364 3.375 20 5 FGBDMO Cc1ccccc1C[C@@H](C)NC(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511094489 503253158 /nfs/dbraw/zinc/25/31/58/503253158.db2.gz HHJMAWALNRJYJA-QGZVFWFLSA-N 1 1 369.465 3.125 20 5 FGBDMO Cc1ccccc1C[C@@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511094489 503253162 /nfs/dbraw/zinc/25/31/62/503253162.db2.gz HHJMAWALNRJYJA-QGZVFWFLSA-N 1 1 369.465 3.125 20 5 FGBDMO CCCC[N@H+]1CCCC[C@H]1CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000502904228 503303880 /nfs/dbraw/zinc/30/38/80/503303880.db2.gz UXOWPEQMCWKFBV-AWEZNQCLSA-N 1 1 369.487 3.065 20 5 FGBDMO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511351911 503305258 /nfs/dbraw/zinc/30/52/58/503305258.db2.gz RGSDIIPHRYWFME-UKRRQHHQSA-N 1 1 363.433 3.046 20 5 FGBDMO O=C1CC[C@H]2C[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])CC[C@@H]2N1C1CC1 ZINC000492209376 503358402 /nfs/dbraw/zinc/35/84/02/503358402.db2.gz LBSGYRIKWWGZDO-LRDDRELGSA-N 1 1 363.845 3.224 20 5 FGBDMO O=C1CC[C@H]2C[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])CC[C@@H]2N1C1CC1 ZINC000492209376 503358405 /nfs/dbraw/zinc/35/84/05/503358405.db2.gz LBSGYRIKWWGZDO-LRDDRELGSA-N 1 1 363.845 3.224 20 5 FGBDMO CCOc1cc(CN2CC[NH+]([C@H](C)c3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC000492791048 503385529 /nfs/dbraw/zinc/38/55/29/503385529.db2.gz QYPVGYPQHIHSKG-MRXNPFEDSA-N 1 1 370.453 3.267 20 5 FGBDMO COc1cc(C[N@@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)ccc1[N+](=O)[O-] ZINC000492911799 503393171 /nfs/dbraw/zinc/39/31/71/503393171.db2.gz MWBAZTBHKKWBIH-HUUCEWRRSA-N 1 1 352.456 3.090 20 5 FGBDMO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])[C@@H](C)C1 ZINC000516193220 503467474 /nfs/dbraw/zinc/46/74/74/503467474.db2.gz IAGJKJVYTLLJGD-ZYSHUDEJSA-N 1 1 361.486 3.309 20 5 FGBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000499738447 503470966 /nfs/dbraw/zinc/47/09/66/503470966.db2.gz FBQIEWSMYJSLLM-CYBMUJFWSA-N 1 1 351.472 3.311 20 5 FGBDMO Cc1ccc2c(c1)C[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CCO2 ZINC000512247219 503497306 /nfs/dbraw/zinc/49/73/06/503497306.db2.gz ZCUAKNMFKKJEEA-UHFFFAOYSA-N 1 1 369.421 3.435 20 5 FGBDMO O=[N+]([O-])c1cc(CN2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)cs1 ZINC000593068463 506371182 /nfs/dbraw/zinc/37/11/82/506371182.db2.gz OMYFOWOYHQJHDR-ROUUACIJSA-N 1 1 373.478 3.132 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC4(CC4(F)F)CC3)n2)cc1 ZINC000593072728 506376139 /nfs/dbraw/zinc/37/61/39/506376139.db2.gz LSXZEJUHMWKIHR-UHFFFAOYSA-N 1 1 350.325 3.266 20 5 FGBDMO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC(CCN2CCOCC2)CC1 ZINC000512434627 503549992 /nfs/dbraw/zinc/54/99/92/503549992.db2.gz ZLXOJMOBBHMGGK-HYXAFXHYSA-N 1 1 359.470 3.042 20 5 FGBDMO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)CO1 ZINC000500099694 503554144 /nfs/dbraw/zinc/55/41/44/503554144.db2.gz QCUOFVYFOBNESS-HNAYVOBHSA-N 1 1 369.421 3.385 20 5 FGBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)CO1 ZINC000500099694 503554146 /nfs/dbraw/zinc/55/41/46/503554146.db2.gz QCUOFVYFOBNESS-HNAYVOBHSA-N 1 1 369.421 3.385 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000494700779 503596087 /nfs/dbraw/zinc/59/60/87/503596087.db2.gz XGZKDJHOJQLPNJ-HNNXBMFYSA-N 1 1 371.437 3.244 20 5 FGBDMO C[C@@H]1[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000516886577 503608725 /nfs/dbraw/zinc/60/87/25/503608725.db2.gz OLBISWYRNKRGJO-RDTXWAMCSA-N 1 1 354.410 3.379 20 5 FGBDMO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000500479070 503633125 /nfs/dbraw/zinc/63/31/25/503633125.db2.gz NEZGTFWUNZHRKX-CJNGLKHVSA-N 1 1 373.457 3.102 20 5 FGBDMO CC[N@@H+](CCc1cccs1)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000532939463 503666108 /nfs/dbraw/zinc/66/61/08/503666108.db2.gz QRUBKSZDFITROX-UHFFFAOYSA-N 1 1 359.451 3.110 20 5 FGBDMO CCN1CC[C@H]([N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000532988509 503689393 /nfs/dbraw/zinc/68/93/93/503689393.db2.gz XWFZAIAEZIWYAK-ZBFHGGJFSA-N 1 1 362.474 3.036 20 5 FGBDMO CCN1CC[C@H]([N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000532988509 503689402 /nfs/dbraw/zinc/68/94/02/503689402.db2.gz XWFZAIAEZIWYAK-ZBFHGGJFSA-N 1 1 362.474 3.036 20 5 FGBDMO Cc1cc([C@@H]2CCC[N@H+]2CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)on1 ZINC000533241208 503772964 /nfs/dbraw/zinc/77/29/64/503772964.db2.gz SYQUOIVBEOUBSV-AWEZNQCLSA-N 1 1 372.381 3.026 20 5 FGBDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](c2ccccc2)O1 ZINC000533246738 503774850 /nfs/dbraw/zinc/77/48/50/503774850.db2.gz GMTRWKKPUCYKIV-BEFAXECRSA-N 1 1 369.421 3.385 20 5 FGBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](c2ccccc2)O1 ZINC000533246738 503774856 /nfs/dbraw/zinc/77/48/56/503774856.db2.gz GMTRWKKPUCYKIV-BEFAXECRSA-N 1 1 369.421 3.385 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000533246817 503774989 /nfs/dbraw/zinc/77/49/89/503774989.db2.gz PVUKWRWZODIEOK-MRXNPFEDSA-N 1 1 368.437 3.134 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCN(c2ccccc2)CC1 ZINC000533246817 503774994 /nfs/dbraw/zinc/77/49/94/503774994.db2.gz PVUKWRWZODIEOK-MRXNPFEDSA-N 1 1 368.437 3.134 20 5 FGBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000537025749 503781324 /nfs/dbraw/zinc/78/13/24/503781324.db2.gz HYCITLGCCAGURC-HZPDHXFCSA-N 1 1 362.474 3.466 20 5 FGBDMO C[C@H](CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C)C1 ZINC000517599976 503781557 /nfs/dbraw/zinc/78/15/57/503781557.db2.gz SRQFAWHZDADJMA-GPMSIDNRSA-N 1 1 371.485 3.128 20 5 FGBDMO COc1ccc2c(c1)CCC[N@H+]([C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000533271090 503786504 /nfs/dbraw/zinc/78/65/04/503786504.db2.gz YSTJFTIKEBXHKS-CQSZACIVSA-N 1 1 369.421 3.379 20 5 FGBDMO COc1ccc2c(c1)CCC[N@@H+]([C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000533271090 503786508 /nfs/dbraw/zinc/78/65/08/503786508.db2.gz YSTJFTIKEBXHKS-CQSZACIVSA-N 1 1 369.421 3.379 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000537154269 503819967 /nfs/dbraw/zinc/81/99/67/503819967.db2.gz COPABHQRUCMLNP-CYBMUJFWSA-N 1 1 351.472 3.262 20 5 FGBDMO C[C@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000543648068 503841157 /nfs/dbraw/zinc/84/11/57/503841157.db2.gz RUMJXVVEECDKHH-DZGCQCFKSA-N 1 1 363.433 3.028 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000533511550 503870861 /nfs/dbraw/zinc/87/08/61/503870861.db2.gz ADPXOGVNBQZHDF-SOLBZPMBSA-N 1 1 374.485 3.179 20 5 FGBDMO COc1ccc2c(c1)C[C@H](C)[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]2C ZINC000541020837 503977491 /nfs/dbraw/zinc/97/74/91/503977491.db2.gz JWIMZIQKJCXEEB-STQMWFEESA-N 1 1 369.421 3.210 20 5 FGBDMO COc1ccc2c(c1)C[C@H](C)[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]2C ZINC000541020837 503977496 /nfs/dbraw/zinc/97/74/96/503977496.db2.gz JWIMZIQKJCXEEB-STQMWFEESA-N 1 1 369.421 3.210 20 5 FGBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000518597010 504023764 /nfs/dbraw/zinc/02/37/64/504023764.db2.gz YFBFXLWJWAOYHZ-OKILXGFUSA-N 1 1 360.458 3.162 20 5 FGBDMO CC(C)[N@@H+](C)CCCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000544197942 504045311 /nfs/dbraw/zinc/04/53/11/504045311.db2.gz YBMPXIKELOYDOM-UHFFFAOYSA-N 1 1 359.879 3.187 20 5 FGBDMO CC[C@H](c1ccncc1)[N@@H+](C)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000518838091 504075757 /nfs/dbraw/zinc/07/57/57/504075757.db2.gz KWNZPZJGIDYGND-MRXNPFEDSA-N 1 1 373.409 3.125 20 5 FGBDMO Cc1ccc([C@@H]2CC[N@@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C2)cc1 ZINC000541389510 504113834 /nfs/dbraw/zinc/11/38/34/504113834.db2.gz PXUXCWGPCVUOBA-GOSISDBHSA-N 1 1 365.433 3.282 20 5 FGBDMO C[NH+](C)[C@@H](CNc1ncnc2cccc([N+](=O)[O-])c21)c1ccccc1Cl ZINC000544410305 504123332 /nfs/dbraw/zinc/12/33/32/504123332.db2.gz FRNKYSRPIUOCJH-INIZCTEOSA-N 1 1 371.828 3.328 20 5 FGBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000547788234 504226537 /nfs/dbraw/zinc/22/65/37/504226537.db2.gz KREXGERCPRDCDK-NSHDSACASA-N 1 1 374.363 3.465 20 5 FGBDMO Cc1ccnc([C@H]2CC[N@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)c1 ZINC000519614849 504273867 /nfs/dbraw/zinc/27/38/67/504273867.db2.gz RNUVBDNFWOSCIJ-HNNXBMFYSA-N 1 1 365.393 3.338 20 5 FGBDMO Cc1ccnc([C@H]2CC[N@@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)c1 ZINC000519614849 504273871 /nfs/dbraw/zinc/27/38/71/504273871.db2.gz RNUVBDNFWOSCIJ-HNNXBMFYSA-N 1 1 365.393 3.338 20 5 FGBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000520186072 504430274 /nfs/dbraw/zinc/43/02/74/504430274.db2.gz YFUCIRIMPPAFGS-SFHVURJKSA-N 1 1 353.422 3.123 20 5 FGBDMO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000542278706 504436842 /nfs/dbraw/zinc/43/68/42/504436842.db2.gz IHAKYGQAZKEXTO-QRQLOZEOSA-N 1 1 370.449 3.288 20 5 FGBDMO CCc1ccc([C@H]([NH2+]CCN2CCOC[C@H]2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542475269 504505197 /nfs/dbraw/zinc/50/51/97/504505197.db2.gz VOQGOICBMCYYBI-FOIQADDNSA-N 1 1 373.453 3.150 20 5 FGBDMO O=[N+]([O-])c1cccc2ncnc(NC[C@H]3CCC[N@H+]3Cc3ccccc3)c21 ZINC000542505203 504516512 /nfs/dbraw/zinc/51/65/12/504516512.db2.gz XBUFZMNCGOBHNN-MRXNPFEDSA-N 1 1 363.421 3.036 20 5 FGBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000542872785 504641865 /nfs/dbraw/zinc/64/18/65/504641865.db2.gz ALZGTRGDHRHCBV-NEPJUHHUSA-N 1 1 371.384 3.046 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CCC(CO)CC2)cc1OC ZINC000542918147 504657218 /nfs/dbraw/zinc/65/72/18/504657218.db2.gz VELDRDKXOCIRGF-AWEZNQCLSA-N 1 1 366.458 3.233 20 5 FGBDMO CC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1ccc(C)cc1 ZINC000532490907 504668905 /nfs/dbraw/zinc/66/89/05/504668905.db2.gz OKXIMMNVNJUHBL-UHFFFAOYSA-N 1 1 357.410 3.372 20 5 FGBDMO CC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1ccc(C)cc1 ZINC000532490907 504668910 /nfs/dbraw/zinc/66/89/10/504668910.db2.gz OKXIMMNVNJUHBL-UHFFFAOYSA-N 1 1 357.410 3.372 20 5 FGBDMO CC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccc(C)cc1 ZINC000532491179 504669770 /nfs/dbraw/zinc/66/97/70/504669770.db2.gz SHRXODKTFNSBTP-UHFFFAOYSA-N 1 1 353.422 3.314 20 5 FGBDMO CC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccc(C)cc1 ZINC000532491179 504669777 /nfs/dbraw/zinc/66/97/77/504669777.db2.gz SHRXODKTFNSBTP-UHFFFAOYSA-N 1 1 353.422 3.314 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000549233611 504733597 /nfs/dbraw/zinc/73/35/97/504733597.db2.gz FDNVEHLOWIMQLH-OAHLLOKOSA-N 1 1 363.458 3.235 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(Cc2cccnc2)CC1 ZINC000540044065 504764856 /nfs/dbraw/zinc/76/48/56/504764856.db2.gz NLEMYNDPFMUIOW-OAHLLOKOSA-N 1 1 368.437 3.272 20 5 FGBDMO Cc1ccccc1C[C@H](C)[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000562585097 504868903 /nfs/dbraw/zinc/86/89/03/504868903.db2.gz PKBHWOOWJBLFQM-INIZCTEOSA-N 1 1 367.449 3.355 20 5 FGBDMO Cc1ccccc1[C@@H](C)[N@@H+](CC(C)C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000556518119 504895150 /nfs/dbraw/zinc/89/51/50/504895150.db2.gz FGYXGGNHRXGZSU-AEFFLSMTSA-N 1 1 360.458 3.180 20 5 FGBDMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000559610772 504895884 /nfs/dbraw/zinc/89/58/84/504895884.db2.gz RMYYOHCZTHTOIC-NSHDSACASA-N 1 1 371.359 3.360 20 5 FGBDMO CN(C(=O)C[N@@H+]1CC[C@H](c2ccccc2F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000549813484 504905338 /nfs/dbraw/zinc/90/53/38/504905338.db2.gz NSAOFCVIQJTEHJ-AWEZNQCLSA-N 1 1 357.385 3.186 20 5 FGBDMO CN(C(=O)C[N@H+]1CC[C@H](c2ccccc2F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000549813484 504905340 /nfs/dbraw/zinc/90/53/40/504905340.db2.gz NSAOFCVIQJTEHJ-AWEZNQCLSA-N 1 1 357.385 3.186 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@H+]2CC(C)(C)[C@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000550078410 504961741 /nfs/dbraw/zinc/96/17/41/504961741.db2.gz AOHUWKARUYXQOD-GOEBONIOSA-N 1 1 361.442 3.443 20 5 FGBDMO Cn1ccnc1[C@@H](N[C@H]1CC[N@H+](C2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000556871984 505001210 /nfs/dbraw/zinc/00/12/10/505001210.db2.gz NWWXFIOLHBIWQQ-LPHOPBHVSA-N 1 1 369.469 3.024 20 5 FGBDMO C[C@H](c1ncc(Br)cn1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000554265160 505129329 /nfs/dbraw/zinc/12/93/29/505129329.db2.gz PDSUXTKFZIIMGQ-LLVKDONJSA-N 1 1 365.231 3.383 20 5 FGBDMO C[C@H](c1ncc(Br)cn1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000554265160 505129333 /nfs/dbraw/zinc/12/93/33/505129333.db2.gz PDSUXTKFZIIMGQ-LLVKDONJSA-N 1 1 365.231 3.383 20 5 FGBDMO C[C@H](C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H](C)CO)c1ccccc1 ZINC000554279479 505132409 /nfs/dbraw/zinc/13/24/09/505132409.db2.gz MLJAINLJQDGRJZ-SJORKVTESA-N 1 1 358.438 3.460 20 5 FGBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000554281175 505133299 /nfs/dbraw/zinc/13/32/99/505133299.db2.gz DKZKDODJTYEQNO-JKSUJKDBSA-N 1 1 374.462 3.474 20 5 FGBDMO COc1ccc(C[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H](C)C2CC2)c(OC)c1 ZINC000554862256 505283399 /nfs/dbraw/zinc/28/33/99/505283399.db2.gz BYHORGCHULLGEZ-AWEZNQCLSA-N 1 1 374.441 3.109 20 5 FGBDMO C[C@@H]1CCC[N@@H+](C(C)(C)CNCCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000566850542 505291161 /nfs/dbraw/zinc/29/11/61/505291161.db2.gz GIVGZDKXJXVZSN-OAHLLOKOSA-N 1 1 362.474 3.024 20 5 FGBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNCCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000566850542 505291167 /nfs/dbraw/zinc/29/11/67/505291167.db2.gz GIVGZDKXJXVZSN-OAHLLOKOSA-N 1 1 362.474 3.024 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccccc1N(C)C ZINC000558171772 505326294 /nfs/dbraw/zinc/32/62/94/505326294.db2.gz DPXOVYSNCBKVNB-AWEZNQCLSA-N 1 1 356.426 3.120 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccccc1N(C)C ZINC000558171772 505326297 /nfs/dbraw/zinc/32/62/97/505326297.db2.gz DPXOVYSNCBKVNB-AWEZNQCLSA-N 1 1 356.426 3.120 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]CC1(CCO)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000552042351 505379212 /nfs/dbraw/zinc/37/92/12/505379212.db2.gz ADJDBMRDMNFGBY-SFHVURJKSA-N 1 1 372.469 3.340 20 5 FGBDMO CC(C)C[C@H](CCO)C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000552047919 505381394 /nfs/dbraw/zinc/38/13/94/505381394.db2.gz AGVVYVRWFTYRIS-YJBOKZPZSA-N 1 1 360.458 3.052 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]CCCc1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000552063146 505386690 /nfs/dbraw/zinc/38/66/90/505386690.db2.gz QFQAHCFFWSVBDI-INIZCTEOSA-N 1 1 357.439 3.097 20 5 FGBDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000552071450 505390902 /nfs/dbraw/zinc/39/09/02/505390902.db2.gz GDOHZKVFCZFFNF-MRXNPFEDSA-N 1 1 355.438 3.397 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000552071450 505390905 /nfs/dbraw/zinc/39/09/05/505390905.db2.gz GDOHZKVFCZFFNF-MRXNPFEDSA-N 1 1 355.438 3.397 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CCOC[C@@H]2CC2CCC2)cccc1[N+](=O)[O-] ZINC000564473335 505429273 /nfs/dbraw/zinc/42/92/73/505429273.db2.gz GTMQSZIIEAFECC-INIZCTEOSA-N 1 1 361.442 3.123 20 5 FGBDMO CCc1ccc([C@@H]2CN(C(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)CC[NH2+]2)cc1 ZINC000558643116 505448862 /nfs/dbraw/zinc/44/88/62/505448862.db2.gz PCQVTLNJLRKGRS-YWZLYKJASA-N 1 1 367.449 3.434 20 5 FGBDMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000552371263 505475226 /nfs/dbraw/zinc/47/52/26/505475226.db2.gz WYTIIBAGPCJSID-UHFFFAOYSA-N 1 1 367.449 3.215 20 5 FGBDMO C[C@H]1C[C@H](N(C)C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)CC[N@H+]1C ZINC000567547206 505494735 /nfs/dbraw/zinc/49/47/35/505494735.db2.gz KEYIDFYZKAZGBO-WDEREUQCSA-N 1 1 359.348 3.168 20 5 FGBDMO Cc1c(Br)cc(C(=O)N[C@H](C)C[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000567805939 505564801 /nfs/dbraw/zinc/56/48/01/505564801.db2.gz RYACNHKDCHXMBC-SNVBAGLBSA-N 1 1 372.263 3.124 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)ccc1NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000596424544 506398849 /nfs/dbraw/zinc/39/88/49/506398849.db2.gz RSJOEDGPOZCMCP-MRXNPFEDSA-N 1 1 361.829 3.427 20 5 FGBDMO C[C@H]1c2ccc(F)cc2CC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612079649 506424208 /nfs/dbraw/zinc/42/42/08/506424208.db2.gz WXALKMUPAIHZOI-BBRMVZONSA-N 1 1 360.385 3.093 20 5 FGBDMO C[C@H]1c2ccc(F)cc2CC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612079649 506424212 /nfs/dbraw/zinc/42/42/12/506424212.db2.gz WXALKMUPAIHZOI-BBRMVZONSA-N 1 1 360.385 3.093 20 5 FGBDMO Cc1ccccc1C[NH+]1CCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000582822630 506438339 /nfs/dbraw/zinc/43/83/39/506438339.db2.gz CTLVCQRSRMCOSH-KRWDZBQOSA-N 1 1 367.449 3.351 20 5 FGBDMO CC1(C)C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000612107952 506438890 /nfs/dbraw/zinc/43/88/90/506438890.db2.gz GVRCNJRUFZWXMG-VQIMIIECSA-N 1 1 356.422 3.418 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H](C)C1(F)F ZINC000599514760 506481688 /nfs/dbraw/zinc/48/16/88/506481688.db2.gz ZPCVHPSPHOGVAS-PHIMTYICSA-N 1 1 352.341 3.368 20 5 FGBDMO C[C@@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H](C)C1(F)F ZINC000599514760 506481693 /nfs/dbraw/zinc/48/16/93/506481693.db2.gz ZPCVHPSPHOGVAS-PHIMTYICSA-N 1 1 352.341 3.368 20 5 FGBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCCC(F)(F)CC1 ZINC000599553052 506498061 /nfs/dbraw/zinc/49/80/61/506498061.db2.gz RYMMMYCIZNKYQB-UHFFFAOYSA-N 1 1 355.341 3.014 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599585477 506512644 /nfs/dbraw/zinc/51/26/44/506512644.db2.gz ZLMRTYDYKIDONQ-CZUORRHYSA-N 1 1 364.442 3.403 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599585477 506512650 /nfs/dbraw/zinc/51/26/50/506512650.db2.gz ZLMRTYDYKIDONQ-CZUORRHYSA-N 1 1 364.442 3.403 20 5 FGBDMO COc1ccc([C@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(OC)c1 ZINC000599597127 506521988 /nfs/dbraw/zinc/52/19/88/506521988.db2.gz WKNSZSBIPLOUQH-NSHDSACASA-N 1 1 356.382 3.339 20 5 FGBDMO CCS[C@@H]1CCCC[N@@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589499995 506569794 /nfs/dbraw/zinc/56/97/94/506569794.db2.gz NWHRARPUVROPGE-OAHLLOKOSA-N 1 1 352.456 3.489 20 5 FGBDMO COc1ccc([C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C2CC2)cn1 ZINC000599702732 506591117 /nfs/dbraw/zinc/59/11/17/506591117.db2.gz YMNFZEWGKRADSX-GOSISDBHSA-N 1 1 354.366 3.381 20 5 FGBDMO CC(C)C[N@@H+](C)CCCNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000593424412 506614060 /nfs/dbraw/zinc/61/40/60/506614060.db2.gz FUEWNOQPKTYKJF-UHFFFAOYSA-N 1 1 350.463 3.107 20 5 FGBDMO CCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000596828483 506621806 /nfs/dbraw/zinc/62/18/06/506621806.db2.gz KLYZABBIXGOGPE-LLVKDONJSA-N 1 1 360.336 3.219 20 5 FGBDMO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000612615674 506653641 /nfs/dbraw/zinc/65/36/41/506653641.db2.gz FEWDGXSJJDXKAY-AWEZNQCLSA-N 1 1 372.400 3.472 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000612615674 506653644 /nfs/dbraw/zinc/65/36/44/506653644.db2.gz FEWDGXSJJDXKAY-AWEZNQCLSA-N 1 1 372.400 3.472 20 5 FGBDMO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000593670650 506720431 /nfs/dbraw/zinc/72/04/31/506720431.db2.gz HBTZGUWWYUIPMH-QWHCGFSZSA-N 1 1 366.801 3.090 20 5 FGBDMO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000593680815 506728645 /nfs/dbraw/zinc/72/86/45/506728645.db2.gz QHMKATQTGILJDQ-QGZVFWFLSA-N 1 1 363.433 3.190 20 5 FGBDMO Cc1cc(N2CC[NH+](C[C@H]3CCCO3)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000590132200 506745446 /nfs/dbraw/zinc/74/54/46/506745446.db2.gz FXFGEQKWSXROHT-CYBMUJFWSA-N 1 1 373.375 3.223 20 5 FGBDMO CC[N@@H+](CCCNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])C1CCCCC1 ZINC000593784740 506774697 /nfs/dbraw/zinc/77/46/97/506774697.db2.gz BGEMRGGHVUIOIX-UHFFFAOYSA-N 1 1 365.478 3.216 20 5 FGBDMO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000597182688 506820019 /nfs/dbraw/zinc/82/00/19/506820019.db2.gz YXRGEJXCIKKAHU-BVUKWYMNSA-N 1 1 372.343 3.281 20 5 FGBDMO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000597182688 506820024 /nfs/dbraw/zinc/82/00/24/506820024.db2.gz YXRGEJXCIKKAHU-BVUKWYMNSA-N 1 1 372.343 3.281 20 5 FGBDMO O=C(CC[N@H+]1CCCO[C@H](c2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000609233691 506822398 /nfs/dbraw/zinc/82/23/98/506822398.db2.gz GOGVCBVQTPDKDY-IBGZPJMESA-N 1 1 369.421 3.387 20 5 FGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000604445168 506834185 /nfs/dbraw/zinc/83/41/85/506834185.db2.gz BHFSFKIJGPSLAX-BBWFWOEESA-N 1 1 374.485 3.261 20 5 FGBDMO O=[N+]([O-])c1ccccc1N1CC[NH+](CCc2noc3ccccc32)CC1 ZINC000593942278 506838402 /nfs/dbraw/zinc/83/84/02/506838402.db2.gz GIEDGCCFJYVCBP-UHFFFAOYSA-N 1 1 352.394 3.101 20 5 FGBDMO CC[NH+]1CCN(C[C@@H](C)CNc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC000590575428 506866254 /nfs/dbraw/zinc/86/62/54/506866254.db2.gz ZEDHJJAYTUXSSY-ZDUSSCGKSA-N 1 1 374.407 3.299 20 5 FGBDMO CC[NH+]1CCN(C[C@H](C)CNc2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000590574635 506866671 /nfs/dbraw/zinc/86/66/71/506866671.db2.gz OYBXHEHKCKEHFI-CYBMUJFWSA-N 1 1 356.417 3.218 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC=C(c3ccccn3)C2)c1 ZINC000593995338 506872071 /nfs/dbraw/zinc/87/20/71/506872071.db2.gz WTTDGVXQGFHLBP-UHFFFAOYSA-N 1 1 353.378 3.066 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC=C(c3ccccn3)C2)c1 ZINC000593995338 506872075 /nfs/dbraw/zinc/87/20/75/506872075.db2.gz WTTDGVXQGFHLBP-UHFFFAOYSA-N 1 1 353.378 3.066 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CCC=C(c3ccccn3)C2)cccc1[N+](=O)[O-] ZINC000590599138 506873848 /nfs/dbraw/zinc/87/38/48/506873848.db2.gz AHTGKZURQYALDN-UHFFFAOYSA-N 1 1 366.421 3.416 20 5 FGBDMO COc1ccc(OCC[N@H+]2CCC[C@H](OC3CCC3)C2)c([N+](=O)[O-])c1 ZINC000594027631 506892555 /nfs/dbraw/zinc/89/25/55/506892555.db2.gz XTNLYMWRQIFDOL-INIZCTEOSA-N 1 1 350.415 3.016 20 5 FGBDMO COCC[N@H+](Cc1ccc2c(c1)OCO2)Cc1cccc([N+](=O)[O-])c1C ZINC000609552096 506919227 /nfs/dbraw/zinc/91/92/27/506919227.db2.gz LYIHPBIZVYJQSA-UHFFFAOYSA-N 1 1 358.394 3.281 20 5 FGBDMO COCC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cccc([N+](=O)[O-])c1C ZINC000609552096 506919233 /nfs/dbraw/zinc/91/92/33/506919233.db2.gz LYIHPBIZVYJQSA-UHFFFAOYSA-N 1 1 358.394 3.281 20 5 FGBDMO CC[C@H]1c2ccccc2CC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000609625706 506952173 /nfs/dbraw/zinc/95/21/73/506952173.db2.gz QCLWXLIVNCUZBT-PXNSSMCTSA-N 1 1 356.422 3.344 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000600473131 506961879 /nfs/dbraw/zinc/96/18/79/506961879.db2.gz RILBVFCJPFKTIR-HNNXBMFYSA-N 1 1 363.483 3.454 20 5 FGBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000609792724 507002765 /nfs/dbraw/zinc/00/27/65/507002765.db2.gz UDXMUZIMCBCQTQ-ZDUSSCGKSA-N 1 1 367.877 3.417 20 5 FGBDMO CCOC(=O)c1ccnc(NC[C@H](C)[N@@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000609963699 507056049 /nfs/dbraw/zinc/05/60/49/507056049.db2.gz GYKSFUZFDIDJER-AWEZNQCLSA-N 1 1 372.425 3.099 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[NH+]1CC(Cc3ccc(F)cc3)C1)OCCO2 ZINC000590968431 507066404 /nfs/dbraw/zinc/06/64/04/507066404.db2.gz NGTCXHOACFTNAZ-UHFFFAOYSA-N 1 1 358.369 3.180 20 5 FGBDMO O=[N+]([O-])c1cnc(NCC[NH+]2Cc3ccccc3C2)c(C(F)(F)F)c1 ZINC000591141714 507130126 /nfs/dbraw/zinc/13/01/26/507130126.db2.gz GIXQQNHAMPXHBX-UHFFFAOYSA-N 1 1 352.316 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ZINC000595053692 507369590 /nfs/dbraw/zinc/36/95/90/507369590.db2.gz LAPFVSUMOVBOOS-SUMWQHHRSA-N 1 1 357.410 3.131 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000595091844 507386683 /nfs/dbraw/zinc/38/66/83/507386683.db2.gz JVWILIUHFDTKIL-ZIAGYGMSSA-N 1 1 350.369 3.299 20 5 FGBDMO CCc1ccc(CC[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000584559956 507409894 /nfs/dbraw/zinc/40/98/94/507409894.db2.gz PLJALAGXWKCYPS-UHFFFAOYSA-N 1 1 367.449 3.158 20 5 FGBDMO O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000598509248 507467117 /nfs/dbraw/zinc/46/71/17/507467117.db2.gz KLOCKZJIHYWLMB-AWEZNQCLSA-N 1 1 359.813 3.253 20 5 FGBDMO O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000598509248 507467120 /nfs/dbraw/zinc/46/71/20/507467120.db2.gz KLOCKZJIHYWLMB-AWEZNQCLSA-N 1 1 359.813 3.253 20 5 FGBDMO CC(C)(C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000598511547 507468709 /nfs/dbraw/zinc/46/87/09/507468709.db2.gz 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ZINC000769325912 723682472 /nfs/dbraw/zinc/68/24/72/723682472.db2.gz CUSJFKFSMBJHPR-CYBMUJFWSA-N 1 1 354.248 3.026 20 5 FGBDMO CN(Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000769325913 723682517 /nfs/dbraw/zinc/68/25/17/723682517.db2.gz CUSJFKFSMBJHPR-ZDUSSCGKSA-N 1 1 354.248 3.026 20 5 FGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1 ZINC000777436422 724225358 /nfs/dbraw/zinc/22/53/58/724225358.db2.gz BDCVYAUOZVQNSD-QGZVFWFLSA-N 1 1 350.777 3.481 20 5 FGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1 ZINC000777436422 724225360 /nfs/dbraw/zinc/22/53/60/724225360.db2.gz BDCVYAUOZVQNSD-QGZVFWFLSA-N 1 1 350.777 3.481 20 5 FGBDMO C[N@H+]1CCCC[C@H]1CCOC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000778889740 724370785 /nfs/dbraw/zinc/37/07/85/724370785.db2.gz ABEKIBKXWLODRQ-NSHDSACASA-N 1 1 358.341 3.227 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000778943195 724375295 /nfs/dbraw/zinc/37/52/95/724375295.db2.gz ABLCRADPGIJLEH-FZMZJTMJSA-N 1 1 359.348 3.059 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000778943195 724375299 /nfs/dbraw/zinc/37/52/99/724375299.db2.gz ABLCRADPGIJLEH-FZMZJTMJSA-N 1 1 359.348 3.059 20 5 FGBDMO O=C(O[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000810842673 725330474 /nfs/dbraw/zinc/33/04/74/725330474.db2.gz AYWQORAQYIAHAB-JSGCOSHPSA-N 1 1 369.215 3.141 20 5 FGBDMO O=C(CCc1ccsc1)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813170952 726845919 /nfs/dbraw/zinc/84/59/19/726845919.db2.gz BAFOVVKGOCCQGE-KRWDZBQOSA-N 1 1 360.435 3.407 20 5 FGBDMO O=C(CCc1ccsc1)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813170952 726845925 /nfs/dbraw/zinc/84/59/25/726845925.db2.gz BAFOVVKGOCCQGE-KRWDZBQOSA-N 1 1 360.435 3.407 20 5 FGBDMO C[C@H]1CCC[N@@H+](CCNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000813411020 726871822 /nfs/dbraw/zinc/87/18/22/726871822.db2.gz WOYRJEYBPSEORH-JTQLQIEISA-N 1 1 360.241 3.363 20 5 FGBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)cc1 ZINC000815206611 727052158 /nfs/dbraw/zinc/05/21/58/727052158.db2.gz AQIXXZJQHXCFQU-QZTJIDSGSA-N 1 1 362.813 3.435 20 5 FGBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000816879668 727202091 /nfs/dbraw/zinc/20/20/91/727202091.db2.gz TUJSTXQXNMXNJQ-CYBMUJFWSA-N 1 1 353.850 3.490 20 5 FGBDMO C[C@H]1CC2(CN1Cc1ccc(Br)c([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000818339878 727308317 /nfs/dbraw/zinc/30/83/17/727308317.db2.gz GFZKOTMXGBJVLQ-LBPRGKRZSA-N 1 1 368.275 3.321 20 5 FGBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000827549916 729431656 /nfs/dbraw/zinc/43/16/56/729431656.db2.gz XZPIDYQTPWUZGD-AWEZNQCLSA-N 1 1 374.268 3.245 20 5 FGBDMO CCN(C)C(=O)[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(C)C ZINC000830868647 729598293 /nfs/dbraw/zinc/59/82/93/729598293.db2.gz FYVMEFNPNPYZQJ-ZDUSSCGKSA-N 1 1 362.257 3.494 20 5 FGBDMO O=C(CC[N@H+]1CCC[C@]2(CCSC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000832511462 729717909 /nfs/dbraw/zinc/71/79/09/729717909.db2.gz YHNHMRSQJSIVPG-KRWDZBQOSA-N 1 1 367.446 3.282 20 5 FGBDMO O=C(CC[N@H+]1CCC[C@@]2(CCSC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000832511463 729718012 /nfs/dbraw/zinc/71/80/12/729718012.db2.gz YHNHMRSQJSIVPG-QGZVFWFLSA-N 1 1 367.446 3.282 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)cc1Cl ZINC000836790091 729970065 /nfs/dbraw/zinc/97/00/65/729970065.db2.gz AGIMRSZZQIYIAM-LLVKDONJSA-N 1 1 351.834 3.113 20 5 FGBDMO O=C1CCCN1[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000840975255 730199829 /nfs/dbraw/zinc/19/98/29/730199829.db2.gz VAFQJJAAIOKGNQ-AWEZNQCLSA-N 1 1 351.834 3.225 20 5 FGBDMO C[N@@H+]1CCO[C@@H](CSCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000842653141 730525672 /nfs/dbraw/zinc/52/56/72/730525672.db2.gz HSYXKEUCKZPHFR-LLVKDONJSA-N 1 1 351.255 3.465 20 5 FGBDMO C[N@H+]1CCO[C@@H](CSCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000842653141 730525677 /nfs/dbraw/zinc/52/56/77/730525677.db2.gz HSYXKEUCKZPHFR-LLVKDONJSA-N 1 1 351.255 3.465 20 5 FGBDMO CCCn1nccc1C[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000883288025 737547481 /nfs/dbraw/zinc/54/74/81/737547481.db2.gz OSJDBUUZRWXBEY-UHFFFAOYSA-N 1 1 353.220 3.254 20 5 FGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@](O)(C3CC3)C2)c1Br ZINC000852501070 731593985 /nfs/dbraw/zinc/59/39/85/731593985.db2.gz HXIQFZOESSPKLX-OAHLLOKOSA-N 1 1 355.232 3.094 20 5 FGBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@](O)(C3CC3)C2)c1Br ZINC000852501070 731593987 /nfs/dbraw/zinc/59/39/87/731593987.db2.gz HXIQFZOESSPKLX-OAHLLOKOSA-N 1 1 355.232 3.094 20 5 FGBDMO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000858292471 732201005 /nfs/dbraw/zinc/20/10/05/732201005.db2.gz JIPWIUPSNRYOIG-HNNXBMFYSA-N 1 1 366.849 3.064 20 5 FGBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000862630371 732857967 /nfs/dbraw/zinc/85/79/67/732857967.db2.gz XFDMKTMQNKMKBE-CYBMUJFWSA-N 1 1 351.834 3.385 20 5 FGBDMO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000863323602 732945819 /nfs/dbraw/zinc/94/58/19/732945819.db2.gz PZXCGNPEUFCINW-YPMHNXCESA-N 1 1 365.231 3.389 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(Cn2c[nH+]c3c2CCCC3)o1 ZINC000865368829 733186820 /nfs/dbraw/zinc/18/68/20/733186820.db2.gz DQPAYNKOYGBFKU-UHFFFAOYSA-N 1 1 359.773 3.422 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CCCOCC3)CC2)c(C(F)F)c1 ZINC000865871979 733284900 /nfs/dbraw/zinc/28/49/00/733284900.db2.gz GXKIFTDZDZBHBJ-UHFFFAOYSA-N 1 1 355.385 3.224 20 5 FGBDMO C[C@]([NH3+])(C(=O)N1CCC(c2ccsc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000867973897 733541109 /nfs/dbraw/zinc/54/11/09/733541109.db2.gz MQQWLWRUTXHVRA-GOSISDBHSA-N 1 1 359.451 3.236 20 5 FGBDMO C[C@@]1(C(F)(F)F)CC[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000872803887 735679465 /nfs/dbraw/zinc/67/94/65/735679465.db2.gz DVLGBTVBXBKQQJ-CQSZACIVSA-N 1 1 355.320 3.085 20 5 FGBDMO C[C@@]1(C(F)(F)F)CC[N@@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000872803887 735679467 /nfs/dbraw/zinc/67/94/67/735679467.db2.gz DVLGBTVBXBKQQJ-CQSZACIVSA-N 1 1 355.320 3.085 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@H](c3nc(C)cs3)C2)c([N+](=O)[O-])cc1OC ZINC000877814189 736727383 /nfs/dbraw/zinc/72/73/83/736727383.db2.gz VPRDQBSAYZRZKW-LBPRGKRZSA-N 1 1 363.439 3.366 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[N@H+](C1CC1)[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000891622741 739921599 /nfs/dbraw/zinc/92/15/99/739921599.db2.gz JFMBYEHGLXPWEP-WBVHZDCISA-N 1 1 350.390 3.193 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[N@@H+](C1CC1)[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000891622741 739921601 /nfs/dbraw/zinc/92/16/01/739921601.db2.gz JFMBYEHGLXPWEP-WBVHZDCISA-N 1 1 350.390 3.193 20 5 FGBDMO O=[N+]([O-])c1cc(NC[C@@H]2CC[N@H+]2C2CCOCC2)ccc1C(F)(F)F ZINC000896520968 742561539 /nfs/dbraw/zinc/56/15/39/742561539.db2.gz ARCJXQLUJHVAOC-ZDUSSCGKSA-N 1 1 359.348 3.279 20 5 FGBDMO C[N@H+]1CCCC12CCN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)CC2 ZINC000901305473 743249710 /nfs/dbraw/zinc/24/97/10/743249710.db2.gz PZDSHZSEXAQWAW-UHFFFAOYSA-N 1 1 355.797 3.088 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000926926480 759850363 /nfs/dbraw/zinc/85/03/63/759850363.db2.gz KPMPSQXEGQVFBH-SECBINFHSA-N 1 1 358.320 3.207 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])o1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000020448558 211278789 /nfs/dbraw/zinc/27/87/89/211278789.db2.gz MYCIEGNDHFKIOR-UHFFFAOYSA-N 1 1 365.389 3.299 20 5 FGBDMO O=C(C[N@@H+]1CCC[C@@H]1c1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000021417294 257333724 /nfs/dbraw/zinc/33/37/24/257333724.db2.gz FZWZFSUIZPKWPC-OAHLLOKOSA-N 1 1 369.377 3.099 20 5 FGBDMO O=C(C[N@H+]1CCC[C@@H]1c1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000021417294 257333725 /nfs/dbraw/zinc/33/37/25/257333725.db2.gz FZWZFSUIZPKWPC-OAHLLOKOSA-N 1 1 369.377 3.099 20 5 FGBDMO Cc1nc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000297118852 257382123 /nfs/dbraw/zinc/38/21/23/257382123.db2.gz MGOFIJPRFQNHDS-ALOPSCKCSA-N 1 1 353.426 3.301 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+](C)Cc2cc(C(C)(C)C)n[nH]2)cccc1[N+](=O)[O-] ZINC000570895704 505604832 /nfs/dbraw/zinc/60/48/32/505604832.db2.gz DCCMDPCJURCVCA-UHFFFAOYSA-N 1 1 373.457 3.384 20 5 FGBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000057554331 493772330 /nfs/dbraw/zinc/77/23/30/493772330.db2.gz FWCJHZAKKYVUGI-CQSZACIVSA-N 1 1 367.405 3.354 20 5 FGBDMO CC(C)(C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000081289998 493860916 /nfs/dbraw/zinc/86/09/16/493860916.db2.gz STPWWJKRGFELHR-KRWDZBQOSA-N 1 1 359.470 3.253 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000060369959 493928070 /nfs/dbraw/zinc/92/80/70/493928070.db2.gz XDVHJPLCPTZKER-QGZVFWFLSA-N 1 1 368.437 3.418 20 5 FGBDMO Cc1ccc(C[C@H]2CCC[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)cc1 ZINC000051063928 493947749 /nfs/dbraw/zinc/94/77/49/493947749.db2.gz OOEGRWQPXQPQNJ-QGZVFWFLSA-N 1 1 367.449 3.457 20 5 FGBDMO CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@@H]1COc2ccccc2O1 ZINC000051257723 493956827 /nfs/dbraw/zinc/95/68/27/493956827.db2.gz KBQUQVQQSOCMKB-OAHLLOKOSA-N 1 1 358.394 3.265 20 5 FGBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000031766550 493959946 /nfs/dbraw/zinc/95/99/46/493959946.db2.gz QPHWBDBGZXOCHZ-UHFFFAOYSA-N 1 1 353.422 3.251 20 5 FGBDMO CC[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000032446869 493989940 /nfs/dbraw/zinc/98/99/40/493989940.db2.gz NVPPNCNUJXELPF-KRWDZBQOSA-N 1 1 353.422 3.162 20 5 FGBDMO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000007668250 494034163 /nfs/dbraw/zinc/03/41/63/494034163.db2.gz SABJZYBRLREWHO-UHFFFAOYSA-N 1 1 363.801 3.327 20 5 FGBDMO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000007668250 494034166 /nfs/dbraw/zinc/03/41/66/494034166.db2.gz SABJZYBRLREWHO-UHFFFAOYSA-N 1 1 363.801 3.327 20 5 FGBDMO CC(C)(C)[N@H+]1CCCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000063726552 494080650 /nfs/dbraw/zinc/08/06/50/494080650.db2.gz SXHOHFYGEZXAMK-UHFFFAOYSA-N 1 1 351.472 3.020 20 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ZINC000053944839 494176391 /nfs/dbraw/zinc/17/63/91/494176391.db2.gz CDSFNUKBRWMSOD-UHFFFAOYSA-N 1 1 371.412 3.390 20 5 FGBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000054226005 494209311 /nfs/dbraw/zinc/20/93/11/494209311.db2.gz KEFDCSAJMPUJNO-YJBOKZPZSA-N 1 1 353.422 3.089 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H]1CCc2ccccc2C1 ZINC000072634790 494221870 /nfs/dbraw/zinc/22/18/70/494221870.db2.gz WDPPUNHMRRDIIJ-QGZVFWFLSA-N 1 1 353.422 3.331 20 5 FGBDMO Cc1c(NC(=O)NCC[N@@H+]2CCc3sccc3C2)cccc1[N+](=O)[O-] ZINC000054355480 494224695 /nfs/dbraw/zinc/22/46/95/494224695.db2.gz SSRKYWQNILYMIY-UHFFFAOYSA-N 1 1 360.439 3.145 20 5 FGBDMO Cc1c(NC(=O)NCC[N@H+]2CCc3sccc3C2)cccc1[N+](=O)[O-] ZINC000054355480 494224697 /nfs/dbraw/zinc/22/46/97/494224697.db2.gz SSRKYWQNILYMIY-UHFFFAOYSA-N 1 1 360.439 3.145 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000065867829 494250127 /nfs/dbraw/zinc/25/01/27/494250127.db2.gz VXNXOQFCGOCADJ-INIZCTEOSA-N 1 1 372.469 3.320 20 5 FGBDMO C[C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@H]1C ZINC000043085647 494263103 /nfs/dbraw/zinc/26/31/03/494263103.db2.gz NZDXURRKUORDRH-KGLIPLIRSA-N 1 1 351.472 3.066 20 5 FGBDMO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])cc1F)[N@H+]1CCc2ccccc2C1 ZINC000054761240 494268369 /nfs/dbraw/zinc/26/83/69/494268369.db2.gz ZRQSBZQWYHNHAV-UHFFFAOYSA-N 1 1 371.412 3.301 20 5 FGBDMO Cc1ccc(NC(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000043148101 494270446 /nfs/dbraw/zinc/27/04/46/494270446.db2.gz IDBVJEXZCFAXNY-UHFFFAOYSA-N 1 1 368.437 3.295 20 5 FGBDMO COc1ccccc1[C@@H](CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[NH+](C)C ZINC000043148481 494271457 /nfs/dbraw/zinc/27/14/57/494271457.db2.gz QTYJPTRCMRZOFB-QGZVFWFLSA-N 1 1 372.425 3.336 20 5 FGBDMO Cc1[nH+]ccn1CCCCNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000078336354 494280752 /nfs/dbraw/zinc/28/07/52/494280752.db2.gz RSYYSKLYVXEMHZ-UHFFFAOYSA-N 1 1 371.441 3.228 20 5 FGBDMO C[N@H+](CCc1ccc(F)cc1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000055024985 494290910 /nfs/dbraw/zinc/29/09/10/494290910.db2.gz GHWAHBBOVYOYLW-UHFFFAOYSA-N 1 1 356.357 3.458 20 5 FGBDMO C[N@@H+](CCc1ccc(F)cc1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000055024985 494290913 /nfs/dbraw/zinc/29/09/13/494290913.db2.gz GHWAHBBOVYOYLW-UHFFFAOYSA-N 1 1 356.357 3.458 20 5 FGBDMO C[N@@H+](CCc1ccc(F)cc1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000055022554 494291242 /nfs/dbraw/zinc/29/12/42/494291242.db2.gz ZTKSZTFAMNVTNY-UHFFFAOYSA-N 1 1 356.357 3.458 20 5 FGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCOc1ccccc1F ZINC000015046959 494335422 /nfs/dbraw/zinc/33/54/22/494335422.db2.gz JERGZGCSGQZHJU-ZDUSSCGKSA-N 1 1 361.373 3.072 20 5 FGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCOc1ccccc1F ZINC000015046959 494335424 /nfs/dbraw/zinc/33/54/24/494335424.db2.gz JERGZGCSGQZHJU-ZDUSSCGKSA-N 1 1 361.373 3.072 20 5 FGBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000055406691 494339748 /nfs/dbraw/zinc/33/97/48/494339748.db2.gz ACJJSPTYPBYXTG-UONOGXRCSA-N 1 1 360.458 3.019 20 5 FGBDMO COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000015509313 494356468 /nfs/dbraw/zinc/35/64/68/494356468.db2.gz YUTBHGIYILLRQJ-STQMWFEESA-N 1 1 373.409 3.290 20 5 FGBDMO Cc1c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000018185842 494427952 /nfs/dbraw/zinc/42/79/52/494427952.db2.gz FWXBDLKEUBIKGA-KRWDZBQOSA-N 1 1 357.410 3.453 20 5 FGBDMO CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](C)Cc1ccc(OC)cc1 ZINC000066885675 494432057 /nfs/dbraw/zinc/43/20/57/494432057.db2.gz HPYHUVYHXGNFHE-HNNXBMFYSA-N 1 1 371.437 3.495 20 5 FGBDMO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)CC[N@H+]1Cc1ccccc1 ZINC000079553117 494479084 /nfs/dbraw/zinc/47/90/84/494479084.db2.gz SAMSBTVLMAURLN-HIFRSBDPSA-N 1 1 359.451 3.439 20 5 FGBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000067361216 494521602 /nfs/dbraw/zinc/52/16/02/494521602.db2.gz HABKHEWWFYMTCO-INIZCTEOSA-N 1 1 371.412 3.376 20 5 FGBDMO C[N@H+]1CCC[C@@H](CNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000091482876 494608736 /nfs/dbraw/zinc/60/87/36/494608736.db2.gz HMFQXQSFKFMDGW-VIFPVBQESA-N 1 1 362.308 3.276 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000047213832 494655751 /nfs/dbraw/zinc/65/57/51/494655751.db2.gz ODWRRCPIXJOMKS-HNNXBMFYSA-N 1 1 365.499 3.458 20 5 FGBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000047214973 494656495 /nfs/dbraw/zinc/65/64/95/494656495.db2.gz LFVDVDRNRBNJEO-HNNXBMFYSA-N 1 1 365.499 3.315 20 5 FGBDMO CCc1cc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000075061343 494681439 /nfs/dbraw/zinc/68/14/39/494681439.db2.gz PMFNWEXMVJJZBJ-AEFFLSMTSA-N 1 1 367.453 3.287 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000121290916 494684930 /nfs/dbraw/zinc/68/49/30/494684930.db2.gz XTFWKZRUYQNWMH-LLVKDONJSA-N 1 1 352.341 3.299 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000121290916 494684935 /nfs/dbraw/zinc/68/49/35/494684935.db2.gz XTFWKZRUYQNWMH-LLVKDONJSA-N 1 1 352.341 3.299 20 5 FGBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000121345972 494712993 /nfs/dbraw/zinc/71/29/93/494712993.db2.gz MCPJVXCCNHQMJU-CQSZACIVSA-N 1 1 371.441 3.110 20 5 FGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000025448300 494742989 /nfs/dbraw/zinc/74/29/89/494742989.db2.gz WCXAHNXTUQYULX-KRWDZBQOSA-N 1 1 355.438 3.352 20 5 FGBDMO COC(=O)[C@@H](C)C[N@@H+](C)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000091986213 494745570 /nfs/dbraw/zinc/74/55/70/494745570.db2.gz ZOUJVXDZLMWJKN-LBPRGKRZSA-N 1 1 362.382 3.104 20 5 FGBDMO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116275941 494749756 /nfs/dbraw/zinc/74/97/56/494749756.db2.gz IBOMKNOKNGFVJC-CYBMUJFWSA-N 1 1 353.850 3.377 20 5 FGBDMO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116275941 494749762 /nfs/dbraw/zinc/74/97/62/494749762.db2.gz IBOMKNOKNGFVJC-CYBMUJFWSA-N 1 1 353.850 3.377 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])cc1F ZINC000108990119 494817448 /nfs/dbraw/zinc/81/74/48/494817448.db2.gz CYYZOWACEQEQQD-UHFFFAOYSA-N 1 1 368.368 3.087 20 5 FGBDMO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000093298713 494863126 /nfs/dbraw/zinc/86/31/26/494863126.db2.gz QFQTZKWSTONNBC-OAHLLOKOSA-N 1 1 364.442 3.275 20 5 FGBDMO COc1cc(OC)c(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c(OC)c1 ZINC000093338350 494873831 /nfs/dbraw/zinc/87/38/31/494873831.db2.gz FWCATZXHDAMJBP-UHFFFAOYSA-N 1 1 358.394 3.179 20 5 FGBDMO COc1cc(OC)c(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c(OC)c1 ZINC000093338350 494873834 /nfs/dbraw/zinc/87/38/34/494873834.db2.gz FWCATZXHDAMJBP-UHFFFAOYSA-N 1 1 358.394 3.179 20 5 FGBDMO COc1cccc(Cl)c1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534307 494898495 /nfs/dbraw/zinc/89/84/95/494898495.db2.gz SUDHHBFVIGESMI-LBPRGKRZSA-N 1 1 362.817 3.338 20 5 FGBDMO COc1cccc(Cl)c1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534307 494898498 /nfs/dbraw/zinc/89/84/98/494898498.db2.gz SUDHHBFVIGESMI-LBPRGKRZSA-N 1 1 362.817 3.338 20 5 FGBDMO O=[N+]([O-])c1ccccc1/C=C/CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000093734949 494915094 /nfs/dbraw/zinc/91/50/94/494915094.db2.gz BAJNUTLYHKHVSQ-FNORWQNLSA-N 1 1 359.470 3.185 20 5 FGBDMO CC[C@@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccccc1 ZINC000577548193 505749565 /nfs/dbraw/zinc/74/95/65/505749565.db2.gz XQOWTRWRXNTIOW-IBGZPJMESA-N 1 1 371.437 3.000 20 5 FGBDMO C[C@@H]1C[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)C[N@H+]1Cc1ccccc1 ZINC000127323241 494928285 /nfs/dbraw/zinc/92/82/85/494928285.db2.gz FZWATVZIXJDFGY-QAPCUYQASA-N 1 1 368.437 3.057 20 5 FGBDMO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@@H](C)C1 ZINC000117756235 494953235 /nfs/dbraw/zinc/95/32/35/494953235.db2.gz KRVYEAOMUFEXOV-OLZOCXBDSA-N 1 1 353.850 3.027 20 5 FGBDMO CC[N@@H+]1CCc2nc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])sc2C1 ZINC000110164783 494954339 /nfs/dbraw/zinc/95/43/39/494954339.db2.gz LSONBNYEIQBSCX-UHFFFAOYSA-N 1 1 366.830 3.335 20 5 FGBDMO CC[N@H+]1CCc2nc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])sc2C1 ZINC000110164783 494954341 /nfs/dbraw/zinc/95/43/41/494954341.db2.gz LSONBNYEIQBSCX-UHFFFAOYSA-N 1 1 366.830 3.335 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000122601264 495001407 /nfs/dbraw/zinc/00/14/07/495001407.db2.gz WUVYLVBBSKYRDL-MRXNPFEDSA-N 1 1 374.485 3.317 20 5 FGBDMO Cc1nc(C[NH+]2CCC(CNC(=O)c3cccc([N+](=O)[O-])c3)CC2)cs1 ZINC000111041712 495033289 /nfs/dbraw/zinc/03/32/89/495033289.db2.gz VCNNTKYXZKDEAQ-UHFFFAOYSA-N 1 1 374.466 3.002 20 5 FGBDMO CC[C@H](C)[C@H](C)[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000111226992 495050001 /nfs/dbraw/zinc/05/00/01/495050001.db2.gz AMACCMPVBFWURO-RYUDHWBXSA-N 1 1 363.414 3.161 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@@H]3CCCC[C@@H]3n3cccn3)n2)cc1 ZINC000128154349 495052854 /nfs/dbraw/zinc/05/28/54/495052854.db2.gz DOKAIRLKQZNKRO-CVEARBPZSA-N 1 1 368.397 3.115 20 5 FGBDMO C[C@@H]1C[C@H](N(C)C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000123360262 495119954 /nfs/dbraw/zinc/11/99/54/495119954.db2.gz BOSKJCPGSNWIOW-RCOIXESOSA-N 1 1 351.834 3.203 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000123368716 495122143 /nfs/dbraw/zinc/12/21/43/495122143.db2.gz JCULWNSDIOVYLA-INIZCTEOSA-N 1 1 369.421 3.422 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000123368716 495122145 /nfs/dbraw/zinc/12/21/45/495122145.db2.gz JCULWNSDIOVYLA-INIZCTEOSA-N 1 1 369.421 3.422 20 5 FGBDMO Cc1c(C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000580452861 505763256 /nfs/dbraw/zinc/76/32/56/505763256.db2.gz JXGDXTQPOSWLGH-FQEVSTJZSA-N 1 1 353.422 3.298 20 5 FGBDMO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000128904511 495167095 /nfs/dbraw/zinc/16/70/95/495167095.db2.gz FQCXQIMMGQPPNT-UHFFFAOYSA-N 1 1 371.412 3.390 20 5 FGBDMO Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000128904511 495167097 /nfs/dbraw/zinc/16/70/97/495167097.db2.gz FQCXQIMMGQPPNT-UHFFFAOYSA-N 1 1 371.412 3.390 20 5 FGBDMO CS[C@@H]1CCCC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000134609073 495174501 /nfs/dbraw/zinc/17/45/01/495174501.db2.gz JVPMXGJLNYUNIW-CQSZACIVSA-N 1 1 365.455 3.110 20 5 FGBDMO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1C ZINC000103145220 495199277 /nfs/dbraw/zinc/19/92/77/495199277.db2.gz MVDUTZRYQXNVAW-UHFFFAOYSA-N 1 1 357.410 3.291 20 5 FGBDMO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1C ZINC000103145220 495199278 /nfs/dbraw/zinc/19/92/78/495199278.db2.gz MVDUTZRYQXNVAW-UHFFFAOYSA-N 1 1 357.410 3.291 20 5 FGBDMO CCc1ccc(C(=O)Nc2c[nH+]ccc2-n2cc(C)cn2)cc1[N+](=O)[O-] ZINC000124004355 495220067 /nfs/dbraw/zinc/22/00/67/495220067.db2.gz VAKZTKQZHXVYJU-UHFFFAOYSA-N 1 1 351.366 3.299 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@H](OCC(C)C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000119701198 495221532 /nfs/dbraw/zinc/22/15/32/495221532.db2.gz ILVGUINEPJRISM-ZDUSSCGKSA-N 1 1 374.384 3.452 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@H](OCC(C)C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000119701198 495221528 /nfs/dbraw/zinc/22/15/28/495221528.db2.gz ILVGUINEPJRISM-ZDUSSCGKSA-N 1 1 374.384 3.452 20 5 FGBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000103613414 495250024 /nfs/dbraw/zinc/25/00/24/495250024.db2.gz HAWZOSXCBUQXSV-HNNXBMFYSA-N 1 1 373.457 3.356 20 5 FGBDMO Cc1ccccc1OC[C@H](O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135234181 495266788 /nfs/dbraw/zinc/26/67/88/495266788.db2.gz AOBZFCUHCSJCBH-GOSISDBHSA-N 1 1 356.422 3.308 20 5 FGBDMO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135234181 495266792 /nfs/dbraw/zinc/26/67/92/495266792.db2.gz AOBZFCUHCSJCBH-GOSISDBHSA-N 1 1 356.422 3.308 20 5 FGBDMO Cc1c(CC(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000129890411 495310724 /nfs/dbraw/zinc/31/07/24/495310724.db2.gz VMEBOCYSQLMALG-BEFAXECRSA-N 1 1 367.449 3.225 20 5 FGBDMO C[N@@H+](Cc1ccccc1NC(=O)c1n[nH]cc1[N+](=O)[O-])C1CCCCC1 ZINC000136277710 495369520 /nfs/dbraw/zinc/36/95/20/495369520.db2.gz TYENUXYSFLVZAI-UHFFFAOYSA-N 1 1 357.414 3.335 20 5 FGBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000130332950 495374854 /nfs/dbraw/zinc/37/48/54/495374854.db2.gz UIARHAVBLHAVFX-HZSPNIEDSA-N 1 1 358.442 3.172 20 5 FGBDMO Cc1sc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000114642129 495403239 /nfs/dbraw/zinc/40/32/39/495403239.db2.gz CGGALSOWNNODTF-OAHLLOKOSA-N 1 1 359.451 3.359 20 5 FGBDMO COc1ccc(-c2ccc(C[N@@H+](C)CCn3cccn3)o2)c([N+](=O)[O-])c1 ZINC000125289389 495419776 /nfs/dbraw/zinc/41/97/76/495419776.db2.gz KQFVVFXLJWPGJN-UHFFFAOYSA-N 1 1 356.382 3.192 20 5 FGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000106150923 495421115 /nfs/dbraw/zinc/42/11/15/495421115.db2.gz FCBMNTNDQOKSCH-CQSZACIVSA-N 1 1 371.441 3.124 20 5 FGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000106150923 495421117 /nfs/dbraw/zinc/42/11/17/495421117.db2.gz FCBMNTNDQOKSCH-CQSZACIVSA-N 1 1 371.441 3.124 20 5 FGBDMO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000120660001 495428534 /nfs/dbraw/zinc/42/85/34/495428534.db2.gz FSKPUHKTOSMJTP-QGZVFWFLSA-N 1 1 374.485 3.234 20 5 FGBDMO CC[N@H+](Cc1ccc(OC)cc1)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000154164445 495532129 /nfs/dbraw/zinc/53/21/29/495532129.db2.gz DEKLVHMLPKGYOP-CQSZACIVSA-N 1 1 357.410 3.453 20 5 FGBDMO CC[N@@H+](Cc1ccc(OC)cc1)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000154164445 495532131 /nfs/dbraw/zinc/53/21/31/495532131.db2.gz DEKLVHMLPKGYOP-CQSZACIVSA-N 1 1 357.410 3.453 20 5 FGBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CC=C(c3c[nH]c4cc(F)ccc34)CC2)n1 ZINC000176209793 495547426 /nfs/dbraw/zinc/54/74/26/495547426.db2.gz ZBRRMUZDSQUOEL-UHFFFAOYSA-N 1 1 355.373 3.201 20 5 FGBDMO COC[C@H](C)[N@H+](C)Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000179369557 495564302 /nfs/dbraw/zinc/56/43/02/495564302.db2.gz VUPBJNUFAOFACQ-JTQLQIEISA-N 1 1 366.336 3.011 20 5 FGBDMO COC[C@H](C)[N@@H+](C)Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000179369557 495564303 /nfs/dbraw/zinc/56/43/03/495564303.db2.gz VUPBJNUFAOFACQ-JTQLQIEISA-N 1 1 366.336 3.011 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000173598892 495606057 /nfs/dbraw/zinc/60/60/57/495606057.db2.gz FVSFQJADBUBRES-OAHLLOKOSA-N 1 1 371.437 3.244 20 5 FGBDMO CN(CCC[N@@H+](C)Cc1ccco1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000571707921 505795506 /nfs/dbraw/zinc/79/55/06/505795506.db2.gz GENPDTMLPBPHMC-UHFFFAOYSA-N 1 1 357.414 3.018 20 5 FGBDMO CC[N@H+](CCc1nccs1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000159220536 495686033 /nfs/dbraw/zinc/68/60/33/495686033.db2.gz DUOYQHBVRFDNTI-UHFFFAOYSA-N 1 1 368.846 3.208 20 5 FGBDMO CC[N@@H+](CCc1nccs1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000159220536 495686039 /nfs/dbraw/zinc/68/60/39/495686039.db2.gz DUOYQHBVRFDNTI-UHFFFAOYSA-N 1 1 368.846 3.208 20 5 FGBDMO CCS[C@@H]1CC[C@H]([N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000173866670 495725390 /nfs/dbraw/zinc/72/53/90/495725390.db2.gz XIXFOPMUZCRVHM-JKSUJKDBSA-N 1 1 351.472 3.164 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000176725176 495764023 /nfs/dbraw/zinc/76/40/23/495764023.db2.gz URYSWAVSUOQPNZ-RDJZCZTQSA-N 1 1 362.474 3.480 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](CCc1nccs1)C(C)C ZINC000159874188 495829052 /nfs/dbraw/zinc/82/90/52/495829052.db2.gz CPPMTQDRFVHIMZ-UHFFFAOYSA-N 1 1 362.455 3.251 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](CCc1nccs1)C(C)C ZINC000159874188 495829061 /nfs/dbraw/zinc/82/90/61/495829061.db2.gz CPPMTQDRFVHIMZ-UHFFFAOYSA-N 1 1 362.455 3.251 20 5 FGBDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3C)C2)nc1 ZINC000183277643 495912646 /nfs/dbraw/zinc/91/26/46/495912646.db2.gz PQWCSLPTCCALKS-QGZVFWFLSA-N 1 1 368.437 3.457 20 5 FGBDMO C[C@@H]1C[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000183499038 496010549 /nfs/dbraw/zinc/01/05/49/496010549.db2.gz VOPLGXGOHSATHI-PWSUYJOCSA-N 1 1 369.874 3.082 20 5 FGBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000183607481 496046646 /nfs/dbraw/zinc/04/66/46/496046646.db2.gz YDKBCISGVIBOME-GJZGRUSLSA-N 1 1 361.446 3.108 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c([N+](=O)[O-])cc1F ZINC000186709812 496115890 /nfs/dbraw/zinc/11/58/90/496115890.db2.gz OMORRXIEQTVJPX-LJQANCHMSA-N 1 1 358.369 3.374 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)c([N+](=O)[O-])cc1F ZINC000186709812 496115895 /nfs/dbraw/zinc/11/58/95/496115895.db2.gz OMORRXIEQTVJPX-LJQANCHMSA-N 1 1 358.369 3.374 20 5 FGBDMO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000174841015 496128490 /nfs/dbraw/zinc/12/84/90/496128490.db2.gz AFIHGGWNSSBOII-ZDUSSCGKSA-N 1 1 353.850 3.232 20 5 FGBDMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000174841015 496128495 /nfs/dbraw/zinc/12/84/95/496128495.db2.gz AFIHGGWNSSBOII-ZDUSSCGKSA-N 1 1 353.850 3.232 20 5 FGBDMO Cc1cc(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000174923650 496165910 /nfs/dbraw/zinc/16/59/10/496165910.db2.gz RNEVLQYDFCQEDA-GOSISDBHSA-N 1 1 367.449 3.497 20 5 FGBDMO COc1ccc(OCC[N@@H+](C)C[C@@H](C)c2nccs2)c([N+](=O)[O-])c1 ZINC000183936011 496168215 /nfs/dbraw/zinc/16/82/15/496168215.db2.gz XCLWHKZIDHIJQW-GFCCVEGCSA-N 1 1 351.428 3.174 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000161591095 496203126 /nfs/dbraw/zinc/20/31/26/496203126.db2.gz QSNQLXVMFCRAEN-ZDUSSCGKSA-N 1 1 351.472 3.024 20 5 FGBDMO CC(C)(C)OC1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000162434607 496353584 /nfs/dbraw/zinc/35/35/84/496353584.db2.gz WGWMJGAADWXCIL-UHFFFAOYSA-N 1 1 360.414 3.424 20 5 FGBDMO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000175407511 496377645 /nfs/dbraw/zinc/37/76/45/496377645.db2.gz PDCDICYVOUMRRI-DLUDVSRJSA-N 1 1 362.451 3.404 20 5 FGBDMO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000175413894 496380936 /nfs/dbraw/zinc/38/09/36/496380936.db2.gz FAQQFVJWVWCSHL-HWRSSNJWSA-N 1 1 362.451 3.404 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)ccc1OC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000153472006 496466857 /nfs/dbraw/zinc/46/68/57/496466857.db2.gz LQDPALDKDBOMKF-INIZCTEOSA-N 1 1 362.813 3.046 20 5 FGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C2CCOCC2)CC1 ZINC000153487031 496473122 /nfs/dbraw/zinc/47/31/22/496473122.db2.gz JQXLGLCRCGDFGD-CQSZACIVSA-N 1 1 361.442 3.060 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CCc1nccs1 ZINC000157423252 496474502 /nfs/dbraw/zinc/47/45/02/496474502.db2.gz LUEOKUNTTDSLCQ-JTQLQIEISA-N 1 1 368.846 3.206 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)CCc1nccs1 ZINC000157423252 496474509 /nfs/dbraw/zinc/47/45/09/496474509.db2.gz LUEOKUNTTDSLCQ-JTQLQIEISA-N 1 1 368.846 3.206 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000178728163 496552546 /nfs/dbraw/zinc/55/25/46/496552546.db2.gz HNYNJQKKJCBSJM-HNNXBMFYSA-N 1 1 373.453 3.395 20 5 FGBDMO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181917053 496598911 /nfs/dbraw/zinc/59/89/11/496598911.db2.gz OGPNDBJHVSNEIR-CPUCHLNUSA-N 1 1 352.456 3.022 20 5 FGBDMO CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C12CCC2 ZINC000153940412 496631121 /nfs/dbraw/zinc/63/11/21/496631121.db2.gz UIXXUHJRLRUHDK-DLBZAZTESA-N 1 1 361.442 3.121 20 5 FGBDMO CCO[C@@H]1C[C@H]([N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C12CCC2 ZINC000153940412 496631124 /nfs/dbraw/zinc/63/11/24/496631124.db2.gz UIXXUHJRLRUHDK-DLBZAZTESA-N 1 1 361.442 3.121 20 5 FGBDMO CCO[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C12CCC2 ZINC000154001837 496650518 /nfs/dbraw/zinc/65/05/18/496650518.db2.gz PTKKICXXYLROPO-CVEARBPZSA-N 1 1 361.442 3.121 20 5 FGBDMO CCO[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C12CCC2 ZINC000154001837 496650524 /nfs/dbraw/zinc/65/05/24/496650524.db2.gz PTKKICXXYLROPO-CVEARBPZSA-N 1 1 361.442 3.121 20 5 FGBDMO O=C(CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1)N1CCCC1 ZINC000182058879 496653948 /nfs/dbraw/zinc/65/39/48/496653948.db2.gz VHLIGNMWXLDGIF-UHFFFAOYSA-N 1 1 365.861 3.473 20 5 FGBDMO C[C@@H]1CC[C@](CO)([N@@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000188034214 496657404 /nfs/dbraw/zinc/65/74/04/496657404.db2.gz XNGIGOMMQPEAFV-KUHUBIRLSA-N 1 1 359.426 3.275 20 5 FGBDMO CN(C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000158408815 496695538 /nfs/dbraw/zinc/69/55/38/496695538.db2.gz CSNWHOUJWCJABW-QGZVFWFLSA-N 1 1 353.422 3.470 20 5 FGBDMO Cc1cnc([C@@H]([NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C2CC2)s1 ZINC000185307761 496727085 /nfs/dbraw/zinc/72/70/85/496727085.db2.gz SLVFYHDZLLPEII-ABAIWWIYSA-N 1 1 360.439 3.428 20 5 FGBDMO C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C1=CC[N@@H+](C)CC1 ZINC000273189153 496734985 /nfs/dbraw/zinc/73/49/85/496734985.db2.gz GHAVDHKRTZOZMF-LLVKDONJSA-N 1 1 369.874 3.107 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]CCC[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000273610951 496853319 /nfs/dbraw/zinc/85/33/19/496853319.db2.gz AENAXZRKRRTBIF-ZWKOTPCHSA-N 1 1 358.442 3.357 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccccc1 ZINC000247966383 496934480 /nfs/dbraw/zinc/93/44/80/496934480.db2.gz DRGQCPNOGVJVNS-DLBZAZTESA-N 1 1 359.813 3.423 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@H](N4CCCCC4)C3)o2)c1 ZINC000264599287 496940606 /nfs/dbraw/zinc/94/06/06/496940606.db2.gz NDCSNRJGKTTWPI-SFHVURJKSA-N 1 1 370.453 3.353 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@H](N4CCCCC4)C3)o2)c1 ZINC000264599287 496940612 /nfs/dbraw/zinc/94/06/12/496940612.db2.gz NDCSNRJGKTTWPI-SFHVURJKSA-N 1 1 370.453 3.353 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)C1 ZINC000269499337 496960135 /nfs/dbraw/zinc/96/01/35/496960135.db2.gz DXPXRYNKRFFAJN-BLLLJJGKSA-N 1 1 368.865 3.120 20 5 FGBDMO Cc1[nH+]ccn1CCCN(C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000269519676 496964161 /nfs/dbraw/zinc/96/41/61/496964161.db2.gz VOQZWCJGJPJKSA-UHFFFAOYSA-N 1 1 373.457 3.154 20 5 FGBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000278181965 497030109 /nfs/dbraw/zinc/03/01/09/497030109.db2.gz QUMULBHUPGYKPF-JTQLQIEISA-N 1 1 350.806 3.128 20 5 FGBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000248610577 497056774 /nfs/dbraw/zinc/05/67/74/497056774.db2.gz XNSHKRBREQDBGU-ZIAGYGMSSA-N 1 1 351.422 3.074 20 5 FGBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000192564271 497151531 /nfs/dbraw/zinc/15/15/31/497151531.db2.gz NNDNIBWFUJBTMG-KRWDZBQOSA-N 1 1 357.458 3.096 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000278615574 497168267 /nfs/dbraw/zinc/16/82/67/497168267.db2.gz LMTHDCYBDYGEEX-CYBMUJFWSA-N 1 1 353.850 3.264 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000189784915 497243623 /nfs/dbraw/zinc/24/36/23/497243623.db2.gz ZIOYKOAABNCPCJ-QZTJIDSGSA-N 1 1 354.410 3.470 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]C[C@H]1COc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000569285976 505896771 /nfs/dbraw/zinc/89/67/71/505896771.db2.gz DXBPNSFHYQKTEE-HNAYVOBHSA-N 1 1 364.405 3.184 20 5 FGBDMO COc1ccccc1/C=C\C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000255394119 497366827 /nfs/dbraw/zinc/36/68/27/497366827.db2.gz FXOKABGTQRLWDX-DQOPKJQZSA-N 1 1 354.410 3.198 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000275801096 497435910 /nfs/dbraw/zinc/43/59/10/497435910.db2.gz LBYSGRIQZHSQFP-TZMCWYRMSA-N 1 1 351.834 3.113 20 5 FGBDMO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H]1CCCC[C@H]1O ZINC000245555152 497454634 /nfs/dbraw/zinc/45/46/34/497454634.db2.gz SSTLGZNAXNADFJ-NVXWUHKLSA-N 1 1 359.426 3.275 20 5 FGBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)[C@@H]2C1 ZINC000275984277 497475033 /nfs/dbraw/zinc/47/50/33/497475033.db2.gz PJMFDPULYKCYQS-VBKZILBWSA-N 1 1 361.445 3.260 20 5 FGBDMO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193771033 497476072 /nfs/dbraw/zinc/47/60/72/497476072.db2.gz CWORPKXMDSDCRT-LJQANCHMSA-N 1 1 367.449 3.166 20 5 FGBDMO C[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000245640646 497484784 /nfs/dbraw/zinc/48/47/84/497484784.db2.gz KLRFLLLRUYGIII-JVPBZIDWSA-N 1 1 368.437 3.400 20 5 FGBDMO Cc1cc(N2CCC(Nc3ncc([N+](=O)[O-])cc3Cl)CC2)nc(C)[nH+]1 ZINC000267410515 497545004 /nfs/dbraw/zinc/54/50/04/497545004.db2.gz ROWNPTGDQDCOTC-UHFFFAOYSA-N 1 1 362.821 3.131 20 5 FGBDMO O=C1CC[C@H]2C[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)CC[C@@H]2N1C1CC1 ZINC000245913588 497569399 /nfs/dbraw/zinc/56/93/99/497569399.db2.gz VWGBSGUDJORALN-SJCJKPOMSA-N 1 1 363.845 3.224 20 5 FGBDMO O=C1CC[C@H]2C[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)CC[C@@H]2N1C1CC1 ZINC000245913588 497569401 /nfs/dbraw/zinc/56/94/01/497569401.db2.gz VWGBSGUDJORALN-SJCJKPOMSA-N 1 1 363.845 3.224 20 5 FGBDMO CC(C)[C@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC[N@@H+]1C ZINC000581124274 505915243 /nfs/dbraw/zinc/91/52/43/505915243.db2.gz UGSAJCHOYVENDX-HXUWFJFHSA-N 1 1 363.461 3.094 20 5 FGBDMO CC(C)[C@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC[N@H+]1C ZINC000581124274 505915245 /nfs/dbraw/zinc/91/52/45/505915245.db2.gz UGSAJCHOYVENDX-HXUWFJFHSA-N 1 1 363.461 3.094 20 5 FGBDMO COCC[N@@H+]1CCC[C@H]1CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000245971485 497587315 /nfs/dbraw/zinc/58/73/15/497587315.db2.gz OCWDQURQZFJXKL-LEWJYISDSA-N 1 1 369.465 3.385 20 5 FGBDMO COCC[N@H+]1CCC[C@H]1CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000245971485 497587321 /nfs/dbraw/zinc/58/73/21/497587321.db2.gz OCWDQURQZFJXKL-LEWJYISDSA-N 1 1 369.465 3.385 20 5 FGBDMO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272342365 497602076 /nfs/dbraw/zinc/60/20/76/497602076.db2.gz YZAYDHUBCWGVJI-QFBILLFUSA-N 1 1 367.449 3.164 20 5 FGBDMO COCC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccco1 ZINC000272450436 497631978 /nfs/dbraw/zinc/63/19/78/497631978.db2.gz MKRJGIXUWLFGIF-ZFWWWQNUSA-N 1 1 361.398 3.191 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCCN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272557160 497661761 /nfs/dbraw/zinc/66/17/61/497661761.db2.gz SIGQDNRMRIXRST-QFBILLFUSA-N 1 1 371.485 3.272 20 5 FGBDMO C[C@@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1 ZINC000272565268 497664316 /nfs/dbraw/zinc/66/43/16/497664316.db2.gz UTUDCGJBFHXSQX-KXBFYZLASA-N 1 1 366.421 3.475 20 5 FGBDMO CCOc1cc(C[NH2+][C@@H](CO)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000276841028 497667900 /nfs/dbraw/zinc/66/79/00/497667900.db2.gz CHKBRDKEIDUYQV-HNNXBMFYSA-N 1 1 350.802 3.470 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](OCCC(C)C)C2)cccc1[N+](=O)[O-] ZINC000246407269 497723497 /nfs/dbraw/zinc/72/34/97/497723497.db2.gz JUPFWBPFEFYLSI-JKSUJKDBSA-N 1 1 363.458 3.367 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](OCCC(C)C)C2)cccc1[N+](=O)[O-] ZINC000246407269 497723498 /nfs/dbraw/zinc/72/34/98/497723498.db2.gz JUPFWBPFEFYLSI-JKSUJKDBSA-N 1 1 363.458 3.367 20 5 FGBDMO Cc1cc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272804246 497734358 /nfs/dbraw/zinc/73/43/58/497734358.db2.gz FKHXVVKHWKYWFE-HNNXBMFYSA-N 1 1 370.453 3.364 20 5 FGBDMO CC(C)[N@@H+]1C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000268378792 497737251 /nfs/dbraw/zinc/73/72/51/497737251.db2.gz NOXXPFHVDDBXGL-GWCFXTLKSA-N 1 1 359.348 3.072 20 5 FGBDMO CC[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC[C@H]1c1ccccc1 ZINC000246449281 497738424 /nfs/dbraw/zinc/73/84/24/497738424.db2.gz COBJEYMPECSLKY-QFBILLFUSA-N 1 1 355.438 3.272 20 5 FGBDMO C[NH+](C)[C@@H]1CCCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000277098868 497740705 /nfs/dbraw/zinc/74/07/05/497740705.db2.gz GIKGYBCXBVALFN-MRXNPFEDSA-N 1 1 358.442 3.208 20 5 FGBDMO CCOc1ccnc(N2CCC[N@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000246743284 497806986 /nfs/dbraw/zinc/80/69/86/497806986.db2.gz GVAWDGXTQNBCPQ-OAHLLOKOSA-N 1 1 371.441 3.057 20 5 FGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000246881317 497818408 /nfs/dbraw/zinc/81/84/08/497818408.db2.gz LTHJWGCKYFYCPJ-NVXWUHKLSA-N 1 1 352.456 3.088 20 5 FGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000246881317 497818409 /nfs/dbraw/zinc/81/84/09/497818409.db2.gz LTHJWGCKYFYCPJ-NVXWUHKLSA-N 1 1 352.456 3.088 20 5 FGBDMO CC(C)([NH2+]CC(=O)N1CCc2ccccc2C1)c1ccccc1[N+](=O)[O-] ZINC000292162901 497904791 /nfs/dbraw/zinc/90/47/91/497904791.db2.gz OTOYOMJZHVNYSR-UHFFFAOYSA-N 1 1 353.422 3.004 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)c([N+](=O)[O-])cc1OC(F)F ZINC000284876942 497929802 /nfs/dbraw/zinc/92/98/02/497929802.db2.gz SVJLXLGVFRNYKR-TZMCWYRMSA-N 1 1 372.368 3.348 20 5 FGBDMO CCN1CC[NH+](Cc2ccccc2CNc2ccccc2[N+](=O)[O-])CC1 ZINC000301058605 497932688 /nfs/dbraw/zinc/93/26/88/497932688.db2.gz BCXXIIAJJFDYBH-UHFFFAOYSA-N 1 1 354.454 3.344 20 5 FGBDMO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+][C@@H](C)c3ccc(N)c([N+](=O)[O-])c3)n2)c1 ZINC000285076166 497987326 /nfs/dbraw/zinc/98/73/26/497987326.db2.gz JKIXYYITYYEJKT-NWDGAFQWSA-N 1 1 367.413 3.077 20 5 FGBDMO Cc1ncc([N+](=O)[O-])cc1-c1nc([C@@H]2C[N@@H+](C3CCCCC3)CCO2)no1 ZINC000349840416 498016929 /nfs/dbraw/zinc/01/69/29/498016929.db2.gz PECJDFQHCQQFEE-INIZCTEOSA-N 1 1 373.413 3.054 20 5 FGBDMO Cc1ncc([N+](=O)[O-])cc1-c1nc([C@@H]2C[N@H+](C3CCCCC3)CCO2)no1 ZINC000349840416 498016930 /nfs/dbraw/zinc/01/69/30/498016930.db2.gz PECJDFQHCQQFEE-INIZCTEOSA-N 1 1 373.413 3.054 20 5 FGBDMO O=[N+]([O-])c1cnc(NCc2ccccc2C[NH+]2CCOCC2)c(Cl)c1 ZINC000301271723 498032775 /nfs/dbraw/zinc/03/27/75/498032775.db2.gz KCMXQKDQTMMYCB-UHFFFAOYSA-N 1 1 362.817 3.088 20 5 FGBDMO CCOC1CC2(C1)CC[N@@H+](Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000285342349 498057839 /nfs/dbraw/zinc/05/78/39/498057839.db2.gz AADLMALUNXALTC-UHFFFAOYSA-N 1 1 358.398 3.036 20 5 FGBDMO C[C@]12CCC[N@H+]1C[C@H](c1noc(-c3c[nH]c4cc([N+](=O)[O-])ccc43)n1)OC2 ZINC000350400763 498094319 /nfs/dbraw/zinc/09/43/19/498094319.db2.gz RDUSHPZMCCDCCN-CRAIPNDOSA-N 1 1 369.381 3.052 20 5 FGBDMO C[C@@H]1C[C@@H](NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000281302181 498096876 /nfs/dbraw/zinc/09/68/76/498096876.db2.gz RMDPGISZGVEGMY-UKRRQHHQSA-N 1 1 366.421 3.012 20 5 FGBDMO O=C(c1ccccc1)c1ccc(N2CC[C@@H]([NH+]3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000301466829 498122270 /nfs/dbraw/zinc/12/22/70/498122270.db2.gz QHGPSRXHOWQFNE-GOSISDBHSA-N 1 1 363.417 3.276 20 5 FGBDMO O=[N+]([O-])c1cnc(N[C@H]2CC[N@H+](C3CCCC3)C2)c(Br)c1 ZINC000301532611 498151405 /nfs/dbraw/zinc/15/14/05/498151405.db2.gz LMRSUYGPOJMNTN-JTQLQIEISA-N 1 1 355.236 3.181 20 5 FGBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)Nc3cccc([N+](=O)[O-])c3Cl)C2)C1 ZINC000296814065 498206927 /nfs/dbraw/zinc/20/69/27/498206927.db2.gz ROVUVLDHPSRWLN-INIZCTEOSA-N 1 1 352.822 3.198 20 5 FGBDMO COc1cc(NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)ccc1[N+](=O)[O-] ZINC000578688451 505997150 /nfs/dbraw/zinc/99/71/50/505997150.db2.gz ZRKGBPPQGWEABV-HNNXBMFYSA-N 1 1 371.437 3.436 20 5 FGBDMO COc1cc(NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)ccc1[N+](=O)[O-] ZINC000578688451 505997151 /nfs/dbraw/zinc/99/71/51/505997151.db2.gz ZRKGBPPQGWEABV-HNNXBMFYSA-N 1 1 371.437 3.436 20 5 FGBDMO CC[C@H](Nc1ccc([N+](=O)[O-])c(C)n1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000301661815 498211669 /nfs/dbraw/zinc/21/16/69/498211669.db2.gz MWQFEYHPGJPRBU-HKUYNNGSSA-N 1 1 370.453 3.390 20 5 FGBDMO CC[C@H](Nc1ccc([N+](=O)[O-])c(C)n1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000301661815 498211672 /nfs/dbraw/zinc/21/16/72/498211672.db2.gz MWQFEYHPGJPRBU-HKUYNNGSSA-N 1 1 370.453 3.390 20 5 FGBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000301682812 498221972 /nfs/dbraw/zinc/22/19/72/498221972.db2.gz KJBWHNALDFDDJU-WDEREUQCSA-N 1 1 357.252 3.285 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)cnc1NCC1([NH+]2CCOCC2)CCCCC1 ZINC000301752566 498251762 /nfs/dbraw/zinc/25/17/62/498251762.db2.gz VOLAFWAPXYOJPN-UHFFFAOYSA-N 1 1 354.838 3.090 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1 ZINC000581540186 506011436 /nfs/dbraw/zinc/01/14/36/506011436.db2.gz OWNCXAMELBPZOX-PBFPGSCMSA-N 1 1 363.483 3.119 20 5 FGBDMO C[C@H]1CCC[N@H+]1C1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000301943719 498339258 /nfs/dbraw/zinc/33/92/58/498339258.db2.gz WGDGUQINUSDLRK-NSHDSACASA-N 1 1 369.263 3.205 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000282032880 498365634 /nfs/dbraw/zinc/36/56/34/498365634.db2.gz TXTYJBBPLHOMIY-CJNGLKHVSA-N 1 1 364.446 3.188 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)nc2c1 ZINC000282066710 498376926 /nfs/dbraw/zinc/37/69/26/498376926.db2.gz YTHYLVWHKMPLLT-CYBMUJFWSA-N 1 1 366.425 3.388 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)ccc1NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000302032853 498377073 /nfs/dbraw/zinc/37/70/73/498377073.db2.gz CXIZQYXTXQFUTI-MRXNPFEDSA-N 1 1 361.829 3.427 20 5 FGBDMO CC[N@H+]1CCCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1 ZINC000302164852 498423692 /nfs/dbraw/zinc/42/36/92/498423692.db2.gz IZBFXAKXCRWYIB-UHFFFAOYSA-N 1 1 356.426 3.101 20 5 FGBDMO CC(C)[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000302216952 498447100 /nfs/dbraw/zinc/44/71/00/498447100.db2.gz JWPZXQKJDXPGEZ-CVEARBPZSA-N 1 1 363.368 3.299 20 5 FGBDMO CC(C)[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000302216952 498447105 /nfs/dbraw/zinc/44/71/05/498447105.db2.gz JWPZXQKJDXPGEZ-CVEARBPZSA-N 1 1 363.368 3.299 20 5 FGBDMO CC[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000302217007 498447227 /nfs/dbraw/zinc/44/72/27/498447227.db2.gz JYIREYASCQTQMZ-LSDHHAIUSA-N 1 1 365.796 3.425 20 5 FGBDMO CC[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000302217007 498447230 /nfs/dbraw/zinc/44/72/30/498447230.db2.gz JYIREYASCQTQMZ-LSDHHAIUSA-N 1 1 365.796 3.425 20 5 FGBDMO C[C@@](CO)([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000286606576 498451446 /nfs/dbraw/zinc/45/14/46/498451446.db2.gz RKMVFEIBDJXHRU-INIZCTEOSA-N 1 1 365.227 3.355 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000362279190 498488011 /nfs/dbraw/zinc/48/80/11/498488011.db2.gz HIDFZRKOLQRCQM-KBPBESRZSA-N 1 1 363.483 3.452 20 5 FGBDMO CCc1nn(C)c(NCC[N@@H+]2CCc3c(Cl)cccc3C2)c1[N+](=O)[O-] ZINC000302674734 498529609 /nfs/dbraw/zinc/52/96/09/498529609.db2.gz PHJMIURTYLRWLU-UHFFFAOYSA-N 1 1 363.849 3.014 20 5 FGBDMO CCc1nn(C)c(NCC[N@H+]2CCc3c(Cl)cccc3C2)c1[N+](=O)[O-] ZINC000302674734 498529614 /nfs/dbraw/zinc/52/96/14/498529614.db2.gz PHJMIURTYLRWLU-UHFFFAOYSA-N 1 1 363.849 3.014 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000365583785 498543711 /nfs/dbraw/zinc/54/37/11/498543711.db2.gz ZFDYRSXXDXWLQA-IAGOWNOFSA-N 1 1 369.421 3.457 20 5 FGBDMO NC(=O)c1ccnc(Nc2ccc([NH+]3CCCCCC3)cc2)c1[N+](=O)[O-] ZINC000290446238 498556071 /nfs/dbraw/zinc/55/60/71/498556071.db2.gz CPVPESYFTMXFPU-UHFFFAOYSA-N 1 1 355.398 3.213 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000297917355 498609378 /nfs/dbraw/zinc/60/93/78/498609378.db2.gz ZEWDTICYTJEROO-RISCZKNCSA-N 1 1 373.375 3.416 20 5 FGBDMO C[C@@H]([NH2+]Cc1ccncc1OC[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000287133702 498643650 /nfs/dbraw/zinc/64/36/50/498643650.db2.gz AFHGFYVHOINYQQ-HUUCEWRRSA-N 1 1 357.410 3.256 20 5 FGBDMO Cn1cc(-c2cccc(C[NH2+]Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cn1 ZINC000365808098 498650253 /nfs/dbraw/zinc/65/02/53/498650253.db2.gz YCVRXDWIDFDJPY-UHFFFAOYSA-N 1 1 367.365 3.193 20 5 FGBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)C1 ZINC000294310888 498653276 /nfs/dbraw/zinc/65/32/76/498653276.db2.gz WKPNEQZGTXTMOT-INIZCTEOSA-N 1 1 371.359 3.172 20 5 FGBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cccc(Br)c3)CC2)n1 ZINC000365837815 498663391 /nfs/dbraw/zinc/66/33/91/498663391.db2.gz MIPHYPPCLBMKKI-UHFFFAOYSA-N 1 1 365.231 3.391 20 5 FGBDMO Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000332430977 498685475 /nfs/dbraw/zinc/68/54/75/498685475.db2.gz WRLCWFBSQWHLTP-UHFFFAOYSA-N 1 1 371.485 3.485 20 5 FGBDMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000332510080 498706892 /nfs/dbraw/zinc/70/68/92/498706892.db2.gz JKHZQIMKINJVSE-AAEUAGOBSA-N 1 1 371.359 3.312 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)cccc1[N+](=O)[O-] ZINC000298309582 498728680 /nfs/dbraw/zinc/72/86/80/498728680.db2.gz QEKSIGIABGSFKA-PEYYIBSZSA-N 1 1 353.369 3.207 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)cccc1[N+](=O)[O-] ZINC000298309582 498728688 /nfs/dbraw/zinc/72/86/88/498728688.db2.gz QEKSIGIABGSFKA-PEYYIBSZSA-N 1 1 353.369 3.207 20 5 FGBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000332596622 498735727 /nfs/dbraw/zinc/73/57/27/498735727.db2.gz GVVYROWQQYMGDT-CHWSQXEVSA-N 1 1 371.359 3.312 20 5 FGBDMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000332612359 498742488 /nfs/dbraw/zinc/74/24/88/498742488.db2.gz QDCCQTDFDSQSLH-DGCLKSJQSA-N 1 1 352.822 3.339 20 5 FGBDMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000332616811 498743614 /nfs/dbraw/zinc/74/36/14/498743614.db2.gz QFADRKKYNOOGFY-ZFWWWQNUSA-N 1 1 363.433 3.097 20 5 FGBDMO CCc1nn(C)c(NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000311895849 498755410 /nfs/dbraw/zinc/75/54/10/498755410.db2.gz DZVKQPUGGPHHLF-INIZCTEOSA-N 1 1 357.458 3.215 20 5 FGBDMO Cc1cc([N+](=O)[O-])cnc1N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000312073440 498755934 /nfs/dbraw/zinc/75/59/34/498755934.db2.gz OWOAHWPIRNTVPA-ROUUACIJSA-N 1 1 352.438 3.257 20 5 FGBDMO CNc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000312800868 498764594 /nfs/dbraw/zinc/76/45/94/498764594.db2.gz QJFGGBZJUWJOKG-PBHICJAKSA-N 1 1 368.437 3.029 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCCO[C@H]4CCC[C@H]43)o2)c1 ZINC000363410424 498806046 /nfs/dbraw/zinc/80/60/46/498806046.db2.gz DVYSADWIWJZMLB-SJORKVTESA-N 1 1 357.410 3.436 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000298545268 498808357 /nfs/dbraw/zinc/80/83/57/498808357.db2.gz UBSXRIDEDOHBEB-HNNXBMFYSA-N 1 1 371.437 3.118 20 5 FGBDMO C[C@H]([NH2+]Cc1cccnc1OCC(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294832263 498819725 /nfs/dbraw/zinc/81/97/25/498819725.db2.gz RFMJAFFGZMVEOD-JTQLQIEISA-N 1 1 352.341 3.067 20 5 FGBDMO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCCc2[nH+]ccn21 ZINC000366214780 498826136 /nfs/dbraw/zinc/82/61/36/498826136.db2.gz YZGMRXUTAGDKRG-GFCCVEGCSA-N 1 1 365.187 3.070 20 5 FGBDMO CC(C)[C@H](CNc1ccc(C(F)F)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000327559330 498860261 /nfs/dbraw/zinc/86/02/61/498860261.db2.gz CPRUUXMKHHRFET-INIZCTEOSA-N 1 1 356.417 3.216 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC(F)(F)[C@@H](CO)C3)o2)cc1 ZINC000291247219 498861812 /nfs/dbraw/zinc/86/18/12/498861812.db2.gz LSAYDECDLRQLAD-CYBMUJFWSA-N 1 1 352.337 3.304 20 5 FGBDMO C[C@H](CO)[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CCCC1 ZINC000287810307 498870457 /nfs/dbraw/zinc/87/04/57/498870457.db2.gz PBBLAKCNLJHSCO-CQSZACIVSA-N 1 1 359.426 3.418 20 5 FGBDMO COC[C@]1(C)CC[N@@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000295089539 498905994 /nfs/dbraw/zinc/90/59/94/498905994.db2.gz JDBVZRXZQFXSEF-MRXNPFEDSA-N 1 1 360.357 3.063 20 5 FGBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000291472091 498954441 /nfs/dbraw/zinc/95/44/41/498954441.db2.gz JJRFCPGIKIQSGL-UHFFFAOYSA-N 1 1 372.425 3.229 20 5 FGBDMO O=C(CC[N@H+]1CCC[C@H](c2ccncc2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000295706301 499084632 /nfs/dbraw/zinc/08/46/32/499084632.db2.gz FTHADMNHSLIHHM-HNNXBMFYSA-N 1 1 372.400 3.337 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000284381307 499098554 /nfs/dbraw/zinc/09/85/54/499098554.db2.gz LZURHENTUGNHIH-OAHLLOKOSA-N 1 1 363.458 3.091 20 5 FGBDMO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000372478793 499132600 /nfs/dbraw/zinc/13/26/00/499132600.db2.gz WOWIGHQVOXRSAX-LBPRGKRZSA-N 1 1 372.347 3.316 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc2c1C[N@H+](C1CC1)C2 ZINC000372856545 499185213 /nfs/dbraw/zinc/18/52/13/499185213.db2.gz DSZJDOLWWTWFIX-UHFFFAOYSA-N 1 1 353.378 3.334 20 5 FGBDMO COc1cc(C[N@@H+]2CCC[C@]23CCOC3)c([N+](=O)[O-])cc1OCC(F)F ZINC000367459637 499201711 /nfs/dbraw/zinc/20/17/11/499201711.db2.gz VCFGVBAMKBJSBQ-QGZVFWFLSA-N 1 1 372.368 3.002 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@]23CCOC3)c([N+](=O)[O-])cc1OCC(F)F ZINC000367459637 499201713 /nfs/dbraw/zinc/20/17/13/499201713.db2.gz VCFGVBAMKBJSBQ-QGZVFWFLSA-N 1 1 372.368 3.002 20 5 FGBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C[C@H]2[C@H]1c1ccccc1 ZINC000370383177 499215269 /nfs/dbraw/zinc/21/52/69/499215269.db2.gz CDMLSCAJEGXJBC-LSBZLQRGSA-N 1 1 369.396 3.109 20 5 FGBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000579296621 506139104 /nfs/dbraw/zinc/13/91/04/506139104.db2.gz HSUHIGKHTDLPST-STQMWFEESA-N 1 1 371.865 3.252 20 5 FGBDMO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000370703607 499246141 /nfs/dbraw/zinc/24/61/41/499246141.db2.gz ZPVHSRJEBXXPBY-HOTGVXAUSA-N 1 1 351.834 3.224 20 5 FGBDMO 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COc1ccccc1C[C@H](C)[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000444235850 500821866 /nfs/dbraw/zinc/82/18/66/500821866.db2.gz HALFORYQXYQKEZ-HNNXBMFYSA-N 1 1 371.437 3.129 20 5 FGBDMO CC1(C)CCC[N@@H+](CCNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000444611353 500866296 /nfs/dbraw/zinc/86/62/96/500866296.db2.gz GEIGJQNOHVWUSL-UHFFFAOYSA-N 1 1 374.485 3.047 20 5 FGBDMO CC[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[C@@H]1C ZINC000444656199 500874196 /nfs/dbraw/zinc/87/41/96/500874196.db2.gz CVUZONWFAIGINS-YOEHRIQHSA-N 1 1 354.472 3.269 20 5 FGBDMO CC[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H]1CCCC[C@@H]1C ZINC000444674175 500876892 /nfs/dbraw/zinc/87/68/92/500876892.db2.gz JTOSWFTVSTXNFO-GXTWGEPZSA-N 1 1 363.414 3.163 20 5 FGBDMO CCCn1ccnc1CCC[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444703135 500883310 /nfs/dbraw/zinc/88/33/10/500883310.db2.gz JLRRUBQLDSATJD-UHFFFAOYSA-N 1 1 356.430 3.142 20 5 FGBDMO C[N@@H+](Cc1cc(Cl)ccc1F)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000444706093 500883644 /nfs/dbraw/zinc/88/36/44/500883644.db2.gz BYIRBYRUASNFBU-CQSZACIVSA-N 1 1 368.792 3.259 20 5 FGBDMO C[N@H+](Cc1cc(Cl)ccc1F)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000444706093 500883648 /nfs/dbraw/zinc/88/36/48/500883648.db2.gz BYIRBYRUASNFBU-CQSZACIVSA-N 1 1 368.792 3.259 20 5 FGBDMO COc1ccc(C[N@@H+](C[C@@H](O)COc2ccccc2)C(C)C)cc1[N+](=O)[O-] ZINC000444814538 500906352 /nfs/dbraw/zinc/90/63/52/500906352.db2.gz OHRJCWPUOFLEJC-QGZVFWFLSA-N 1 1 374.437 3.254 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccc4c(c3)OCCCCO4)nc2c1 ZINC000449288243 500967342 /nfs/dbraw/zinc/96/73/42/500967342.db2.gz YPWBDTYUWZNRBX-UHFFFAOYSA-N 1 1 368.393 3.312 20 5 FGBDMO CN(C)C(=O)CC1CC[NH+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602596681 506227647 /nfs/dbraw/zinc/22/76/47/506227647.db2.gz MLRMWQCBACWNCB-UHFFFAOYSA-N 1 1 373.375 3.304 20 5 FGBDMO Cn1nnc2cc(C[N@H+]3CCC[C@@H](c4ccc([N+](=O)[O-])cc4)C3)ccc21 ZINC000449494345 501016770 /nfs/dbraw/zinc/01/67/70/501016770.db2.gz AGSFDTICYNTDEM-MRXNPFEDSA-N 1 1 351.410 3.256 20 5 FGBDMO C[C@H]1OCC[C@@H]1[N@@H+](CCO)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000449681434 501060741 /nfs/dbraw/zinc/06/07/41/501060741.db2.gz VVMOWHYDMAOHKX-CJNGLKHVSA-N 1 1 362.451 3.295 20 5 FGBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000450385300 501107274 /nfs/dbraw/zinc/10/72/74/501107274.db2.gz CZQZRPJLBCWNEY-SUMWQHHRSA-N 1 1 356.426 3.072 20 5 FGBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000450805702 501211534 /nfs/dbraw/zinc/21/15/34/501211534.db2.gz CZVSEZYEROIESL-HNNXBMFYSA-N 1 1 357.458 3.078 20 5 FGBDMO CCOCC[N@H+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)C[C@@H]1CC ZINC000450311982 501230972 /nfs/dbraw/zinc/23/09/72/501230972.db2.gz KALTYRBEPJDKIU-INIZCTEOSA-N 1 1 358.442 3.080 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCc1ccccc1C ZINC000451167877 501249530 /nfs/dbraw/zinc/24/95/30/501249530.db2.gz UBNUAWCWSQTIAC-UHFFFAOYSA-N 1 1 371.437 3.415 20 5 FGBDMO COc1cc(C[N@H+](C)[C@@H](CO)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000451331595 501267331 /nfs/dbraw/zinc/26/73/31/501267331.db2.gz OEBOYUBSYOFLLO-INIZCTEOSA-N 1 1 350.802 3.422 20 5 FGBDMO COc1cc(C[N@@H+](C)[C@@H](CO)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000451331595 501267333 /nfs/dbraw/zinc/26/73/33/501267333.db2.gz OEBOYUBSYOFLLO-INIZCTEOSA-N 1 1 350.802 3.422 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCCC[C@@H]3[C@H]3CCC[C@H]3O)n2)cc1 ZINC000451339041 501269337 /nfs/dbraw/zinc/26/93/37/501269337.db2.gz IAMFZFXXYWZHDZ-BRWVUGGUSA-N 1 1 372.425 3.160 20 5 FGBDMO COc1c(C)c[nH+]c(CN(C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1C ZINC000451378681 501279254 /nfs/dbraw/zinc/27/92/54/501279254.db2.gz TZGZJHJESFEBDW-CQSZACIVSA-N 1 1 372.425 3.074 20 5 FGBDMO COc1ccnc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1OC ZINC000451547261 501319403 /nfs/dbraw/zinc/31/94/03/501319403.db2.gz KVQCXNWLBBIFRE-OAHLLOKOSA-N 1 1 357.410 3.387 20 5 FGBDMO COCC[N@@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)Cc1c(C)nn(C)c1C ZINC000453602943 501358574 /nfs/dbraw/zinc/35/85/74/501358574.db2.gz AERJUHMDUCEGMX-PTNGSMBKSA-N 1 1 372.469 3.497 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451854582 501386073 /nfs/dbraw/zinc/38/60/73/501386073.db2.gz NPTDULWLVNLSOT-KSSFIOAISA-N 1 1 358.394 3.155 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451854582 501386075 /nfs/dbraw/zinc/38/60/75/501386075.db2.gz NPTDULWLVNLSOT-KSSFIOAISA-N 1 1 358.394 3.155 20 5 FGBDMO COc1ccc(C[NH2+]Cc2cc(C)c(Br)cn2)cc1[N+](=O)[O-] ZINC000598965053 506250006 /nfs/dbraw/zinc/25/00/06/506250006.db2.gz SUXUMDSRGREDFF-UHFFFAOYSA-N 1 1 366.215 3.359 20 5 FGBDMO C[N@@H+](Cc1cc(Br)c([N+](=O)[O-])s1)C1CCC(CO)CC1 ZINC000602665361 506251104 /nfs/dbraw/zinc/25/11/04/506251104.db2.gz HMUHDSPNTBLIBT-UHFFFAOYSA-N 1 1 363.277 3.402 20 5 FGBDMO COC[C@H]1CCCC[N@@H+]1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000452032495 501421902 /nfs/dbraw/zinc/42/19/02/501421902.db2.gz WGBKTOQCRBDRQF-GFCCVEGCSA-N 1 1 360.357 3.206 20 5 FGBDMO COC[C@H]1CCCC[N@H+]1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000452032495 501421903 /nfs/dbraw/zinc/42/19/03/501421903.db2.gz WGBKTOQCRBDRQF-GFCCVEGCSA-N 1 1 360.357 3.206 20 5 FGBDMO C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456335131 501501324 /nfs/dbraw/zinc/50/13/24/501501324.db2.gz MNIIBUMAQVWJFC-KRWDZBQOSA-N 1 1 367.449 3.118 20 5 FGBDMO C[N@H+]1CCC[C@@H](CCNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000459516846 501667635 /nfs/dbraw/zinc/66/76/35/501667635.db2.gz DTORTJTYBXUWRF-NSHDSACASA-N 1 1 374.363 3.467 20 5 FGBDMO C[C@H](Cc1cccc(F)c1)[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000459760040 501710180 /nfs/dbraw/zinc/71/01/80/501710180.db2.gz JKXMKBMRKZGKCI-CQSZACIVSA-N 1 1 359.401 3.260 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000463449953 501727026 /nfs/dbraw/zinc/72/70/26/501727026.db2.gz AVNBSDRORYIOLR-NRFANRHFSA-N 1 1 370.449 3.421 20 5 FGBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463451989 501727816 /nfs/dbraw/zinc/72/78/16/501727816.db2.gz HSNVHALOKRSUGW-OAQYLSRUSA-N 1 1 370.449 3.291 20 5 FGBDMO COc1cc(C[N@@H+]2CCC[C@](C)(OC)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000470923805 501857866 /nfs/dbraw/zinc/85/78/66/501857866.db2.gz PNCJRIBGJWLGRW-KRWDZBQOSA-N 1 1 374.384 3.248 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@](C)(OC)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000470923805 501857867 /nfs/dbraw/zinc/85/78/67/501857867.db2.gz PNCJRIBGJWLGRW-KRWDZBQOSA-N 1 1 374.384 3.248 20 5 FGBDMO C[N@H+]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](c2ccccc2)C1 ZINC000481791636 501885326 /nfs/dbraw/zinc/88/53/26/501885326.db2.gz FWURHZGGIXVLNM-WMZOPIPTSA-N 1 1 373.840 3.005 20 5 FGBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485689311 501902728 /nfs/dbraw/zinc/90/27/28/501902728.db2.gz IUHGQNHAIJFBIV-GFCCVEGCSA-N 1 1 371.384 3.143 20 5 FGBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@H]1c1ccccc1 ZINC000471174546 501945357 /nfs/dbraw/zinc/94/53/57/501945357.db2.gz YPDYPCHADVMHJA-INIZCTEOSA-N 1 1 353.378 3.340 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596156707 506284839 /nfs/dbraw/zinc/28/48/39/506284839.db2.gz WDKPZOHSMQHULZ-RDTXWAMCSA-N 1 1 368.437 3.016 20 5 FGBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000485945733 501995968 /nfs/dbraw/zinc/99/59/68/501995968.db2.gz PSKOMQJLHOPAQR-ZDUSSCGKSA-N 1 1 363.483 3.309 20 5 FGBDMO CCc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000471357906 501997976 /nfs/dbraw/zinc/99/79/76/501997976.db2.gz LCUALYTUKKZDNX-GOSISDBHSA-N 1 1 353.422 3.162 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000478644677 502042740 /nfs/dbraw/zinc/04/27/40/502042740.db2.gz UJYCHVKFYBXASO-ILXRZTDVSA-N 1 1 365.499 3.455 20 5 FGBDMO CC[C@@H](CNC(=O)c1c(C)cccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000482336728 502044602 /nfs/dbraw/zinc/04/46/02/502044602.db2.gz RSCSBZQVXXKLKQ-SFHVURJKSA-N 1 1 367.449 3.470 20 5 FGBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000461259232 502054838 /nfs/dbraw/zinc/05/48/38/502054838.db2.gz SRNKCBICMLJLQK-CQSZACIVSA-N 1 1 353.850 3.124 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)ccc1NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000471527768 502055455 /nfs/dbraw/zinc/05/54/55/502055455.db2.gz JQXSSMUVZMICCR-SFHVURJKSA-N 1 1 361.829 3.297 20 5 FGBDMO C[C@@H](C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000468464220 502066291 /nfs/dbraw/zinc/06/62/91/502066291.db2.gz WWLMCCYWGDJSPM-WBMJQRKESA-N 1 1 351.422 3.074 20 5 FGBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000468485070 502076595 /nfs/dbraw/zinc/07/65/95/502076595.db2.gz XCYMILWVJJCRKP-FUHWJXTLSA-N 1 1 361.486 3.400 20 5 FGBDMO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602776777 506294589 /nfs/dbraw/zinc/29/45/89/506294589.db2.gz ALDMNFJWRHZORA-KRWDZBQOSA-N 1 1 368.441 3.306 20 5 FGBDMO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602776777 506294596 /nfs/dbraw/zinc/29/45/96/506294596.db2.gz ALDMNFJWRHZORA-KRWDZBQOSA-N 1 1 368.441 3.306 20 5 FGBDMO O=c1[nH]ccc(N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1[N+](=O)[O-] ZINC000596176683 506294624 /nfs/dbraw/zinc/29/46/24/506294624.db2.gz AYINTMKVZDIARX-UHFFFAOYSA-N 1 1 368.437 3.188 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@@H]4COCC[C@@H]43)o2)c1 ZINC000464854047 502122685 /nfs/dbraw/zinc/12/26/85/502122685.db2.gz PPGOTLRCQWZCOE-WBVHZDCISA-N 1 1 357.410 3.293 20 5 FGBDMO Cc1cc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000475300318 502124494 /nfs/dbraw/zinc/12/44/94/502124494.db2.gz ISHNAWNRKUYBKJ-SFHVURJKSA-N 1 1 353.422 3.250 20 5 FGBDMO O=C(C[N@H+]1C[C@@H]2CCC[C@@H]2C1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000464874582 502132837 /nfs/dbraw/zinc/13/28/37/502132837.db2.gz BOWADOFCARPHIK-OKILXGFUSA-N 1 1 372.450 3.389 20 5 FGBDMO O=c1[nH]ccc(N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1[N+](=O)[O-] ZINC000596191912 506301583 /nfs/dbraw/zinc/30/15/83/506301583.db2.gz BZKXVAGFDDZNLD-IXDOHACOSA-N 1 1 368.437 3.408 20 5 FGBDMO CSc1cccc(C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1[N+](=O)[O-] ZINC000486736967 502246455 /nfs/dbraw/zinc/24/64/55/502246455.db2.gz KCACUMODPRNTPQ-CQSZACIVSA-N 1 1 363.483 3.121 20 5 FGBDMO Cc1cc(NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(F)cc1[N+](=O)[O-] ZINC000461955976 502252113 /nfs/dbraw/zinc/25/21/13/502252113.db2.gz JFPVDHOHCZNCSR-IBGZPJMESA-N 1 1 359.401 3.091 20 5 FGBDMO COc1ccc(CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC(C)(C)C)cc1 ZINC000472228100 502276747 /nfs/dbraw/zinc/27/67/47/502276747.db2.gz DANYQTUCNHNKID-UHFFFAOYSA-N 1 1 360.458 3.391 20 5 FGBDMO Cc1ccc([C@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC000475922588 502333608 /nfs/dbraw/zinc/33/36/08/502333608.db2.gz TYVLXWYSAOBSNV-IBGZPJMESA-N 1 1 369.421 3.176 20 5 FGBDMO Cc1c(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000487061404 502345078 /nfs/dbraw/zinc/34/50/78/502345078.db2.gz NIMBPCFGYYUJNW-GOSISDBHSA-N 1 1 367.449 3.198 20 5 FGBDMO C[C@@]1(c2ccc(F)cc2)CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000483409411 502379803 /nfs/dbraw/zinc/37/98/03/502379803.db2.gz QMBIIDDAZRKVRY-UYAOXDASSA-N 1 1 374.412 3.137 20 5 FGBDMO C[C@@H](C[N@@H+](C)CCn1cc([N+](=O)[O-])cn1)Oc1ccc(Cl)c(Cl)c1 ZINC000469739869 502526629 /nfs/dbraw/zinc/52/66/29/502526629.db2.gz QUBLYBBXJRDPQF-NSHDSACASA-N 1 1 373.240 3.497 20 5 FGBDMO Cc1c([C@H](C)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000484181240 502594688 /nfs/dbraw/zinc/59/46/88/502594688.db2.gz VTNBRWZHDZGLTB-UWJYYQICSA-N 1 1 369.465 3.191 20 5 FGBDMO Cc1c([C@H](C)[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000484181240 502594693 /nfs/dbraw/zinc/59/46/93/502594693.db2.gz VTNBRWZHDZGLTB-UWJYYQICSA-N 1 1 369.465 3.191 20 5 FGBDMO C[C@@H]1C[NH+](C[C@@H]2CCCN2c2nc3ccccc3cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000473513752 502617654 /nfs/dbraw/zinc/61/76/54/502617654.db2.gz PJIIAQVHSFKSEE-INMHGKMJSA-N 1 1 370.453 3.221 20 5 FGBDMO CCOCCC[N@H+]1CC[C@H](Nc2nc3ccccc3cc2[N+](=O)[O-])[C@H](C)C1 ZINC000473519046 502620487 /nfs/dbraw/zinc/62/04/87/502620487.db2.gz GFGOOHFZRQGDHO-WBVHZDCISA-N 1 1 372.469 3.114 20 5 FGBDMO Cc1cccc(N2CCC(Nc3c4ccccc4ncc3[N+](=O)[O-])CC2)[nH+]1 ZINC000488081954 502621081 /nfs/dbraw/zinc/62/10/81/502621081.db2.gz CEZWIDOUYXCYBJ-UHFFFAOYSA-N 1 1 363.421 3.349 20 5 FGBDMO COCC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCC[C@H]1C ZINC000488086105 502622185 /nfs/dbraw/zinc/62/21/85/502622185.db2.gz DSCRZJRNWVSPEJ-GDBMZVCRSA-N 1 1 352.431 3.119 20 5 FGBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000484595195 502680125 /nfs/dbraw/zinc/68/01/25/502680125.db2.gz WEUBZNRHMXHZLL-UHFFFAOYSA-N 1 1 371.437 3.130 20 5 FGBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000470151019 502680291 /nfs/dbraw/zinc/68/02/91/502680291.db2.gz JWMMKYQOIGIHPU-LBPRGKRZSA-N 1 1 352.410 3.366 20 5 FGBDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000470165606 502689821 /nfs/dbraw/zinc/68/98/21/502689821.db2.gz MWWMMTDDIRQKAJ-HXUWFJFHSA-N 1 1 369.465 3.410 20 5 FGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000470170221 502692244 /nfs/dbraw/zinc/69/22/44/502692244.db2.gz QNEKPZXYSBFCNZ-JBXOJTMHSA-N 1 1 367.453 3.415 20 5 FGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(Cc2ccncc2)CC1 ZINC000470201400 502703806 /nfs/dbraw/zinc/70/38/06/502703806.db2.gz HOZAKDFTPLYFAP-LGMDPLHJSA-N 1 1 352.438 3.211 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000488514974 502739003 /nfs/dbraw/zinc/73/90/03/502739003.db2.gz KLTOYOGWKQAGRA-DNVCBOLYSA-N 1 1 353.422 3.235 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000488518002 502739311 /nfs/dbraw/zinc/73/93/11/502739311.db2.gz PIOBNLUKPDSCOV-CJNGLKHVSA-N 1 1 359.451 3.297 20 5 FGBDMO C[C@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488773472 502808343 /nfs/dbraw/zinc/80/83/43/502808343.db2.gz WDQHIVXLTBEDCO-CYBMUJFWSA-N 1 1 368.397 3.239 20 5 FGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H](Oc3ncccc3F)C2)c1 ZINC000488974858 502851199 /nfs/dbraw/zinc/85/11/99/502851199.db2.gz WCGKNEWVPFVCAD-INIZCTEOSA-N 1 1 361.373 3.051 20 5 FGBDMO C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501031804 502916531 /nfs/dbraw/zinc/91/65/31/502916531.db2.gz KXMUGGZVNDWUEF-AUUYWEPGSA-N 1 1 369.421 3.247 20 5 FGBDMO CCc1ccc([C@@H]2CN(C(=O)Cc3cccc([N+](=O)[O-])c3C)CC[NH2+]2)cc1 ZINC000505498065 502917839 /nfs/dbraw/zinc/91/78/39/502917839.db2.gz HNXGUHBKFFNHFJ-IBGZPJMESA-N 1 1 367.449 3.181 20 5 FGBDMO CC(C)[C@@H]1OCCC[C@H]1Nc1nc(NCc2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000509641947 502955264 /nfs/dbraw/zinc/95/52/64/502955264.db2.gz VVSMHRJAAZBAKS-AEFFLSMTSA-N 1 1 371.441 3.034 20 5 FGBDMO CC[C@H](OCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000593033424 506348797 /nfs/dbraw/zinc/34/87/97/506348797.db2.gz QZYFUVVKNWUFPC-IBGZPJMESA-N 1 1 370.453 3.280 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000490008709 503089061 /nfs/dbraw/zinc/08/90/61/503089061.db2.gz QKKQDAFPSWXCCR-YJBOKZPZSA-N 1 1 368.437 3.498 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000490008709 503089066 /nfs/dbraw/zinc/08/90/66/503089066.db2.gz QKKQDAFPSWXCCR-YJBOKZPZSA-N 1 1 368.437 3.498 20 5 FGBDMO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cccc4c3OCCCO4)CC2)c1 ZINC000510485673 503123936 /nfs/dbraw/zinc/12/39/36/503123936.db2.gz OZZFMTSSZGUYGC-UHFFFAOYSA-N 1 1 369.421 3.078 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000602925890 506355340 /nfs/dbraw/zinc/35/53/40/506355340.db2.gz PDOXIZLKKGKGEJ-OAHLLOKOSA-N 1 1 370.327 3.445 20 5 FGBDMO CC[C@H](Cc1ccccc1)[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000515100786 503271731 /nfs/dbraw/zinc/27/17/31/503271731.db2.gz KDUVPQSJHXNRJZ-IEBWSBKVSA-N 1 1 358.438 3.288 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000507299780 503273204 /nfs/dbraw/zinc/27/32/04/503273204.db2.gz CPCFBVUCIYRZPG-QWHCGFSZSA-N 1 1 363.483 3.452 20 5 FGBDMO COc1cc(C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000511624706 503357087 /nfs/dbraw/zinc/35/70/87/503357087.db2.gz DFNVHUSXVOTDHC-OKILXGFUSA-N 1 1 363.458 3.090 20 5 FGBDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593059658 506367197 /nfs/dbraw/zinc/36/71/97/506367197.db2.gz RVTVLTODYGBODJ-OAHLLOKOSA-N 1 1 371.412 3.009 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593059658 506367206 /nfs/dbraw/zinc/36/72/06/506367206.db2.gz RVTVLTODYGBODJ-OAHLLOKOSA-N 1 1 371.412 3.009 20 5 FGBDMO COc1cc(C[N@@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)ccc1[N+](=O)[O-] ZINC000492911797 503392735 /nfs/dbraw/zinc/39/27/35/503392735.db2.gz MWBAZTBHKKWBIH-GJZGRUSLSA-N 1 1 352.456 3.090 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000499423467 503399835 /nfs/dbraw/zinc/39/98/35/503399835.db2.gz PMPWOTUKTYMMFM-IAGOWNOFSA-N 1 1 367.449 3.259 20 5 FGBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000516120257 503449757 /nfs/dbraw/zinc/44/97/57/503449757.db2.gz DDYAANWAJSBRSV-SNVBAGLBSA-N 1 1 373.251 3.208 20 5 FGBDMO Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000494047587 503479059 /nfs/dbraw/zinc/47/90/59/503479059.db2.gz JAOXRJZCYBMTOS-QAPCUYQASA-N 1 1 353.422 3.296 20 5 FGBDMO COc1cc(C[N@@H+](C)CCc2nc(-c3ccccc3)no2)ccc1[N+](=O)[O-] ZINC000512224392 503491519 /nfs/dbraw/zinc/49/15/19/503491519.db2.gz BGCDKGFMNYYZJA-UHFFFAOYSA-N 1 1 368.393 3.328 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[NH+]2CCC3(CC3(F)F)CC2)cccc1[N+](=O)[O-] ZINC000593073761 506376258 /nfs/dbraw/zinc/37/62/58/506376258.db2.gz XZKHMGFQABPUMY-LBPRGKRZSA-N 1 1 353.369 3.351 20 5 FGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+](CCO)[C@H]2CCc3ccccc32)cc1 ZINC000512353044 503526676 /nfs/dbraw/zinc/52/66/76/503526676.db2.gz RVIHYDWCUGMURR-FQEVSTJZSA-N 1 1 356.422 3.346 20 5 FGBDMO C[C@H](O)C[C@H]1CCCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000512468145 503561745 /nfs/dbraw/zinc/56/17/45/503561745.db2.gz IFWBHBQTIFBLDI-QWHCGFSZSA-N 1 1 369.849 3.202 20 5 FGBDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000512468145 503561748 /nfs/dbraw/zinc/56/17/48/503561748.db2.gz IFWBHBQTIFBLDI-QWHCGFSZSA-N 1 1 369.849 3.202 20 5 FGBDMO C[C@@H](NC(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000516682231 503567892 /nfs/dbraw/zinc/56/78/92/503567892.db2.gz ADCOGXIBWUZSQR-XUWVNRHRSA-N 1 1 362.474 3.321 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@H]2c2ccc(Cl)cc2)c1 ZINC000504686478 503604531 /nfs/dbraw/zinc/60/45/31/503604531.db2.gz FLSNQSBZPQAUOY-WMZOPIPTSA-N 1 1 362.813 3.435 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@H]2c2ccc(Cl)cc2)c1 ZINC000504686478 503604535 /nfs/dbraw/zinc/60/45/35/503604535.db2.gz FLSNQSBZPQAUOY-WMZOPIPTSA-N 1 1 362.813 3.435 20 5 FGBDMO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+]1CC[C@H](C)C1 ZINC000494801101 503613057 /nfs/dbraw/zinc/61/30/57/503613057.db2.gz SFHBKOGIMQXGOL-RYUDHWBXSA-N 1 1 360.439 3.387 20 5 FGBDMO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+]1CC[C@H](C)C1 ZINC000494801101 503613060 /nfs/dbraw/zinc/61/30/60/503613060.db2.gz SFHBKOGIMQXGOL-RYUDHWBXSA-N 1 1 360.439 3.387 20 5 FGBDMO CC(C)C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CCCC1 ZINC000532933664 503663100 /nfs/dbraw/zinc/66/31/00/503663100.db2.gz PPCQFAKAYKXDDN-UHFFFAOYSA-N 1 1 363.414 3.163 20 5 FGBDMO COc1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(Cl)c1 ZINC000536679539 503676622 /nfs/dbraw/zinc/67/66/22/503676622.db2.gz FLSVPCDZJVBEOR-ZDUSSCGKSA-N 1 1 362.817 3.338 20 5 FGBDMO COc1ccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(Cl)c1 ZINC000536679539 503676630 /nfs/dbraw/zinc/67/66/30/503676630.db2.gz FLSVPCDZJVBEOR-ZDUSSCGKSA-N 1 1 362.817 3.338 20 5 FGBDMO C[N@@H+](CCCOc1ccccc1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000533224096 503766621 /nfs/dbraw/zinc/76/66/21/503766621.db2.gz VXBCEGFOMDXUDQ-IBGZPJMESA-N 1 1 369.421 3.101 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000533246816 503774049 /nfs/dbraw/zinc/77/40/49/503774049.db2.gz PVUKWRWZODIEOK-INIZCTEOSA-N 1 1 368.437 3.134 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCN(c2ccccc2)CC1 ZINC000533246816 503774050 /nfs/dbraw/zinc/77/40/50/503774050.db2.gz PVUKWRWZODIEOK-INIZCTEOSA-N 1 1 368.437 3.134 20 5 FGBDMO Cn1ccc([C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2)n1 ZINC000540495773 503791800 /nfs/dbraw/zinc/79/18/00/503791800.db2.gz RPMCAPKGXHZXKC-LJQANCHMSA-N 1 1 354.385 3.389 20 5 FGBDMO CCO[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000533296021 503797047 /nfs/dbraw/zinc/79/70/47/503797047.db2.gz RTVPDJWHJDCFFV-SJORKVTESA-N 1 1 363.458 3.367 20 5 FGBDMO C[C@@H](CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@@H]1C ZINC000540545569 503812264 /nfs/dbraw/zinc/81/22/64/503812264.db2.gz SVAARMGVKLRUEG-HOTGVXAUSA-N 1 1 371.485 3.348 20 5 FGBDMO C[C@@H](CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@@H]1C ZINC000540545569 503812268 /nfs/dbraw/zinc/81/22/68/503812268.db2.gz SVAARMGVKLRUEG-HOTGVXAUSA-N 1 1 371.485 3.348 20 5 FGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000533431230 503842709 /nfs/dbraw/zinc/84/27/09/503842709.db2.gz NIFOUTYEUWMLPX-RDJZCZTQSA-N 1 1 353.422 3.486 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000533511786 503871560 /nfs/dbraw/zinc/87/15/60/503871560.db2.gz JIAHDMWUDFROQL-OLMMMNRUSA-N 1 1 374.485 3.259 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])c(NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)n1 ZINC000543791165 503895232 /nfs/dbraw/zinc/89/52/32/503895232.db2.gz CMWVNCSLJJXZSB-MRXNPFEDSA-N 1 1 370.453 3.439 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])c(NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)n1 ZINC000543791165 503895237 /nfs/dbraw/zinc/89/52/37/503895237.db2.gz CMWVNCSLJJXZSB-MRXNPFEDSA-N 1 1 370.453 3.439 20 5 FGBDMO COCC[N@@H+](C)CCCNC(=O)c1cc2ccccc2c2cccnc12 ZINC000518052372 503898082 /nfs/dbraw/zinc/89/80/82/503898082.db2.gz AGTVOFMJGVVNJQ-UHFFFAOYSA-N 1 1 351.450 3.086 20 5 FGBDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000533830910 503963816 /nfs/dbraw/zinc/96/38/16/503963816.db2.gz MGYUFJOPHZOIQT-SFHVURJKSA-N 1 1 366.421 3.086 20 5 FGBDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000533830910 503963821 /nfs/dbraw/zinc/96/38/21/503963821.db2.gz MGYUFJOPHZOIQT-SFHVURJKSA-N 1 1 366.421 3.086 20 5 FGBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+](C)CC(C)(C)O)cc1OC ZINC000541059056 503989883 /nfs/dbraw/zinc/98/98/83/503989883.db2.gz BSQDCUMASQJFRV-CYBMUJFWSA-N 1 1 354.447 3.231 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000547281435 504046171 /nfs/dbraw/zinc/04/61/71/504046171.db2.gz DCYLTRMGIIDADT-UHFFFAOYSA-N 1 1 363.483 3.479 20 5 FGBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000518712757 504047277 /nfs/dbraw/zinc/04/72/77/504047277.db2.gz AHZIVXLKCAPVAD-SFHVURJKSA-N 1 1 362.474 3.091 20 5 FGBDMO Cc1cc(C)cc([C@@H]2CC[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000541390749 504115404 /nfs/dbraw/zinc/11/54/04/504115404.db2.gz SIKHBLAWHOJBTB-YLJYHZDGSA-N 1 1 370.449 3.441 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000534548417 504171816 /nfs/dbraw/zinc/17/18/16/504171816.db2.gz WOUAFWCCPRQYTH-UHFFFAOYSA-N 1 1 357.332 3.426 20 5 FGBDMO Cc1ccccc1C[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000544619671 504193713 /nfs/dbraw/zinc/19/37/13/504193713.db2.gz PTARHWZZDQIVID-UHFFFAOYSA-N 1 1 372.400 3.392 20 5 FGBDMO C[C@H]1C[N@H+](Cc2cccc(CNc3ccc([N+](=O)[O-])c(N)c3F)c2)CCO1 ZINC000519491319 504233363 /nfs/dbraw/zinc/23/33/63/504233363.db2.gz NHLCMNKCQBIXIJ-ZDUSSCGKSA-N 1 1 374.416 3.149 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2cccc(CNc3ccc([N+](=O)[O-])c(N)c3F)c2)CCO1 ZINC000519491319 504233367 /nfs/dbraw/zinc/23/33/67/504233367.db2.gz NHLCMNKCQBIXIJ-ZDUSSCGKSA-N 1 1 374.416 3.149 20 5 FGBDMO C[N@@H+](CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC000541786496 504255485 /nfs/dbraw/zinc/25/54/85/504255485.db2.gz UGXUFBBRPKHICC-UHFFFAOYSA-N 1 1 360.389 3.378 20 5 FGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000531342331 504272769 /nfs/dbraw/zinc/27/27/69/504272769.db2.gz MKHJREBUKMRXNC-OAHLLOKOSA-N 1 1 358.442 3.180 20 5 FGBDMO COc1cc(CN2CCC(C[N@H+](C)C(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000535082964 504337894 /nfs/dbraw/zinc/33/78/94/504337894.db2.gz HCFJQEJZKZXHRV-UHFFFAOYSA-N 1 1 365.474 3.164 20 5 FGBDMO COc1cc(CN2CCC(C[N@@H+](C)C(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000535082964 504337898 /nfs/dbraw/zinc/33/78/98/504337898.db2.gz HCFJQEJZKZXHRV-UHFFFAOYSA-N 1 1 365.474 3.164 20 5 FGBDMO COCC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccc2c(c1)OCO2 ZINC000538729493 504347620 /nfs/dbraw/zinc/34/76/20/504347620.db2.gz UIOJRQMLNUONLN-XQRVVYSFSA-N 1 1 370.405 3.485 20 5 FGBDMO COc1ccc(C[N@@H+]2CCc3ccc(C(C)=O)cc3CC2)cc1[N+](=O)[O-] ZINC000535213581 504375134 /nfs/dbraw/zinc/37/51/34/504375134.db2.gz XQANJFAHVNADID-UHFFFAOYSA-N 1 1 354.406 3.407 20 5 FGBDMO COc1ccc(C[N@H+]2CCc3ccc(C(C)=O)cc3CC2)cc1[N+](=O)[O-] ZINC000535213581 504375137 /nfs/dbraw/zinc/37/51/37/504375137.db2.gz XQANJFAHVNADID-UHFFFAOYSA-N 1 1 354.406 3.407 20 5 FGBDMO Cc1ccccc1C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000542202860 504403752 /nfs/dbraw/zinc/40/37/52/504403752.db2.gz DQTDCDFKIYGHOD-SFHVURJKSA-N 1 1 356.422 3.308 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000542313817 504446888 /nfs/dbraw/zinc/44/68/88/504446888.db2.gz DWYFWGZTRXGFCN-GFCCVEGCSA-N 1 1 358.394 3.225 20 5 FGBDMO Cc1ccc([C@H]2CC[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000542320601 504450833 /nfs/dbraw/zinc/45/08/33/504450833.db2.gz RDUAXIGTCWQAIT-PKOBYXMFSA-N 1 1 356.422 3.132 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@H+](C)CCc2ccccc2O)cccc1[N+](=O)[O-] ZINC000542323551 504451870 /nfs/dbraw/zinc/45/18/70/504451870.db2.gz YTFWTEDJNIYNMS-CQSZACIVSA-N 1 1 357.410 3.110 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)CCc2ccccc2O)cccc1[N+](=O)[O-] ZINC000542323551 504451877 /nfs/dbraw/zinc/45/18/77/504451877.db2.gz YTFWTEDJNIYNMS-CQSZACIVSA-N 1 1 357.410 3.110 20 5 FGBDMO CCCC[N@@H+](C)CCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000542353190 504459197 /nfs/dbraw/zinc/45/91/97/504459197.db2.gz OFYNEFNARAUVQK-UHFFFAOYSA-N 1 1 359.879 3.188 20 5 FGBDMO CN(C(=O)NCc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000531886710 504459195 /nfs/dbraw/zinc/45/91/95/504459195.db2.gz JRWYPKLJXDYVNG-IBGZPJMESA-N 1 1 368.437 3.011 20 5 FGBDMO CCOC(=O)c1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000539378332 504546690 /nfs/dbraw/zinc/54/66/90/504546690.db2.gz ZHOWFAHARDYOST-ZDUSSCGKSA-N 1 1 371.393 3.061 20 5 FGBDMO CCC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CC[N@H+]1Cc1ccccc1 ZINC000539428176 504568085 /nfs/dbraw/zinc/56/80/85/504568085.db2.gz GKHCSYVBVUOBIQ-KRWDZBQOSA-N 1 1 370.453 3.060 20 5 FGBDMO CC(=O)c1ccc2c(c1)CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000535970707 504597240 /nfs/dbraw/zinc/59/72/40/504597240.db2.gz IUVWJZLVDGSXNF-UHFFFAOYSA-N 1 1 354.406 3.277 20 5 FGBDMO COCC[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000536034211 504612988 /nfs/dbraw/zinc/61/29/88/504612988.db2.gz BLATXJIVAASRMS-FUHWJXTLSA-N 1 1 356.426 3.254 20 5 FGBDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000532388467 504632822 /nfs/dbraw/zinc/63/28/22/504632822.db2.gz FWQZZEZUACMOJN-HNNXBMFYSA-N 1 1 368.437 3.152 20 5 FGBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000542872786 504641989 /nfs/dbraw/zinc/64/19/89/504641989.db2.gz ALZGTRGDHRHCBV-NWDGAFQWSA-N 1 1 371.384 3.046 20 5 FGBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000539674013 504648646 /nfs/dbraw/zinc/64/86/46/504648646.db2.gz SDBVRHJCHCMFAA-ZDUSSCGKSA-N 1 1 351.472 3.263 20 5 FGBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000539674013 504648648 /nfs/dbraw/zinc/64/86/48/504648648.db2.gz SDBVRHJCHCMFAA-ZDUSSCGKSA-N 1 1 351.472 3.263 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@H]1c1ccccc1 ZINC000536261849 504681843 /nfs/dbraw/zinc/68/18/43/504681843.db2.gz DGOCTAQOHHLHNO-DNVCBOLYSA-N 1 1 364.405 3.251 20 5 FGBDMO O=C(C[N@H+]1CC[C@@H](Cc2ccccc2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000532582834 504700559 /nfs/dbraw/zinc/70/05/59/504700559.db2.gz MFQKCFMBGINBIA-KRWDZBQOSA-N 1 1 365.433 3.049 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000565064457 504785732 /nfs/dbraw/zinc/78/57/32/504785732.db2.gz MVBREZLCXXGUJF-HXUWFJFHSA-N 1 1 353.422 3.298 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)c2ncc([N+](=O)[O-])c(C)c2Br)C[C@H]1C ZINC000565391105 504872892 /nfs/dbraw/zinc/87/28/92/504872892.db2.gz UONDFVXEMQJWEM-ZYHUDNBSSA-N 1 1 371.279 3.370 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](Cc1ccccn1)C(C)C ZINC000562702463 504914066 /nfs/dbraw/zinc/91/40/66/504914066.db2.gz KWONYJJNWHFOIN-UHFFFAOYSA-N 1 1 372.425 3.238 20 5 FGBDMO C[N@@H+](CCCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)Cc1ccccc1 ZINC000556648021 504929632 /nfs/dbraw/zinc/92/96/32/504929632.db2.gz KLEVSNZAVVFKQI-UHFFFAOYSA-N 1 1 366.421 3.328 20 5 FGBDMO C[C@@H](C(=O)N1CC([N@@H+](C)Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000562866370 504969048 /nfs/dbraw/zinc/96/90/48/504969048.db2.gz OFKIALSOAYIXPV-OAHLLOKOSA-N 1 1 353.422 3.041 20 5 FGBDMO CC(C)(C)N1CC[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O ZINC000563122883 505053641 /nfs/dbraw/zinc/05/36/41/505053641.db2.gz QWYOKQNOHWIELL-INIZCTEOSA-N 1 1 357.410 3.344 20 5 FGBDMO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000554126477 505097686 /nfs/dbraw/zinc/09/76/86/505097686.db2.gz CBRCOPFJLKGJEG-RLFYNMQTSA-N 1 1 359.470 3.061 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]C[C@@H](CO)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000550894088 505121376 /nfs/dbraw/zinc/12/13/76/505121376.db2.gz BBZHORUCCCCYRR-HKUYNNGSSA-N 1 1 372.469 3.196 20 5 FGBDMO C[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[N@H+]1C ZINC000551041537 505145979 /nfs/dbraw/zinc/14/59/79/505145979.db2.gz XLUXMTMTRHBJSN-GHMZBOCLSA-N 1 1 359.348 3.168 20 5 FGBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000566335339 505146443 /nfs/dbraw/zinc/14/64/43/505146443.db2.gz WVYGDPTUCQMLIV-HXUWFJFHSA-N 1 1 374.412 3.040 20 5 FGBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC)C[C@@H]1CCC[N@H+]1CC ZINC000554599194 505217920 /nfs/dbraw/zinc/21/79/20/505217920.db2.gz KLMRXSGADLKEHE-HKUYNNGSSA-N 1 1 361.486 3.496 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(C)cc1OC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000566632516 505227747 /nfs/dbraw/zinc/22/77/47/505227747.db2.gz GKXQGBNDHGJUNB-SFHVURJKSA-N 1 1 356.422 3.010 20 5 FGBDMO O=C(NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1)c1ccccc1[N+](=O)[O-] ZINC000561082564 505246844 /nfs/dbraw/zinc/24/68/44/505246844.db2.gz DBNYKPJGBVUJBT-QGZVFWFLSA-N 1 1 365.389 3.449 20 5 FGBDMO CCOC1(C[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000561278612 505301720 /nfs/dbraw/zinc/30/17/20/505301720.db2.gz MQXJBLNZKOXWBT-QGZVFWFLSA-N 1 1 358.442 3.357 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000566967242 505326254 /nfs/dbraw/zinc/32/62/54/505326254.db2.gz WWGFATILNIWBJR-UHFFFAOYSA-N 1 1 351.834 3.257 20 5 FGBDMO C[C@H]1[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000558461092 505396262 /nfs/dbraw/zinc/39/62/62/505396262.db2.gz FPHJALAKTMTORN-HNAYVOBHSA-N 1 1 368.437 3.057 20 5 FGBDMO C[C@@H]1[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000558461087 505396723 /nfs/dbraw/zinc/39/67/23/505396723.db2.gz FPHJALAKTMTORN-BEFAXECRSA-N 1 1 368.437 3.057 20 5 FGBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000564366682 505397096 /nfs/dbraw/zinc/39/70/96/505397096.db2.gz DDYAANWAJSBRSV-JTQLQIEISA-N 1 1 373.251 3.208 20 5 FGBDMO CC[N@H+]1CC[C@H]2OCCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)[C@H]2C1 ZINC000552105900 505401983 /nfs/dbraw/zinc/40/19/83/505401983.db2.gz MUDLEHJWRHDPHW-AZUAARDMSA-N 1 1 371.437 3.150 20 5 FGBDMO CCC[N@@H+](CC)C[C@H](C)NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000564417895 505414119 /nfs/dbraw/zinc/41/41/19/505414119.db2.gz CFZIGGFZRFRHQK-HNNXBMFYSA-N 1 1 359.474 3.205 20 5 FGBDMO CCCN(CC)C[C@H](C)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000564417895 505414122 /nfs/dbraw/zinc/41/41/22/505414122.db2.gz CFZIGGFZRFRHQK-HNNXBMFYSA-N 1 1 359.474 3.205 20 5 FGBDMO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558739829 505479385 /nfs/dbraw/zinc/47/93/85/505479385.db2.gz PSOKXLFJDVGFJU-LBPRGKRZSA-N 1 1 363.364 3.375 20 5 FGBDMO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558739829 505479389 /nfs/dbraw/zinc/47/93/89/505479389.db2.gz PSOKXLFJDVGFJU-LBPRGKRZSA-N 1 1 363.364 3.375 20 5 FGBDMO O=[N+]([O-])c1ccc(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c(Cl)c1 ZINC000596423552 506399181 /nfs/dbraw/zinc/39/91/81/506399181.db2.gz LERLNGFBQOVJQY-MRXNPFEDSA-N 1 1 361.829 3.427 20 5 FGBDMO CCC[N@H+](Cc1ccccc1F)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612065870 506418110 /nfs/dbraw/zinc/41/81/10/506418110.db2.gz YAPMINBGHJEYPH-INIZCTEOSA-N 1 1 362.401 3.386 20 5 FGBDMO C[C@@H]1C[N@@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000593190842 506454627 /nfs/dbraw/zinc/45/46/27/506454627.db2.gz PPFFBQRIZQCZIZ-GMTAPVOTSA-N 1 1 359.348 3.167 20 5 FGBDMO CC(C)C[N@@H+](C)CCCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000593204769 506462731 /nfs/dbraw/zinc/46/27/31/506462731.db2.gz BKBWPGQOXGBAGO-UHFFFAOYSA-N 1 1 361.364 3.321 20 5 FGBDMO O=C(NC1CC1)c1ccc(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000596569978 506465577 /nfs/dbraw/zinc/46/55/77/506465577.db2.gz FCABKWLXBHRJMY-HNNXBMFYSA-N 1 1 372.469 3.021 20 5 FGBDMO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000589178181 506471306 /nfs/dbraw/zinc/47/13/06/506471306.db2.gz DLEXPPRBDZIWHB-DKGMDFAASA-N 1 1 353.426 3.080 20 5 FGBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000593227505 506480803 /nfs/dbraw/zinc/48/08/03/506480803.db2.gz UQPBXGJGDDMAED-QLFBSQMISA-N 1 1 357.410 3.311 20 5 FGBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000593227505 506480813 /nfs/dbraw/zinc/48/08/13/506480813.db2.gz UQPBXGJGDDMAED-QLFBSQMISA-N 1 1 357.410 3.311 20 5 FGBDMO COc1ccc(C[NH+]2CCC(Oc3ncccc3C)CC2)cc1[N+](=O)[O-] ZINC000589264358 506502108 /nfs/dbraw/zinc/50/21/08/506502108.db2.gz FZYMGWNQMXOUNB-UHFFFAOYSA-N 1 1 357.410 3.350 20 5 FGBDMO C[C@@H](C(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000593324573 506542240 /nfs/dbraw/zinc/54/22/40/506542240.db2.gz XJEBPODMNQTEAG-UZLBHIALSA-N 1 1 367.449 3.084 20 5 FGBDMO C[C@@H](C(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000593324573 506542245 /nfs/dbraw/zinc/54/22/45/506542245.db2.gz XJEBPODMNQTEAG-UZLBHIALSA-N 1 1 367.449 3.084 20 5 FGBDMO CCN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CC[N@@H+](CC)C1 ZINC000596696240 506544085 /nfs/dbraw/zinc/54/40/85/506544085.db2.gz ZDGIRCLSYRRWLW-LBPRGKRZSA-N 1 1 372.372 3.144 20 5 FGBDMO CCOc1cc(C[N@H+]2CC[C@H](C(=O)OC)[C@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000599655992 506558434 /nfs/dbraw/zinc/55/84/34/506558434.db2.gz SBPBWFLLBKVYMU-OWCLPIDISA-N 1 1 362.426 3.157 20 5 FGBDMO CCCC[N@@H+](C)CC1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593465792 506635686 /nfs/dbraw/zinc/63/56/86/506635686.db2.gz TUGCJVLBWBCMOM-UHFFFAOYSA-N 1 1 365.449 3.247 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000603859758 506639427 /nfs/dbraw/zinc/63/94/27/506639427.db2.gz ZZBKYKFQTVEXNY-OKILXGFUSA-N 1 1 360.458 3.259 20 5 FGBDMO CC(C)c1ccc(C[N@H+]2CCC[C@@H](N3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000583214985 506654169 /nfs/dbraw/zinc/65/41/69/506654169.db2.gz WXBUMVOTDYEGNT-GOSISDBHSA-N 1 1 361.486 3.405 20 5 FGBDMO CC(C)c1ccc(CN2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000583214985 506654176 /nfs/dbraw/zinc/65/41/76/506654176.db2.gz WXBUMVOTDYEGNT-GOSISDBHSA-N 1 1 361.486 3.405 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000604044639 506697079 /nfs/dbraw/zinc/69/70/79/506697079.db2.gz CNYTYCITBDLKAU-UHFFFAOYSA-N 1 1 364.405 3.034 20 5 FGBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000608789461 506710260 /nfs/dbraw/zinc/71/02/60/506710260.db2.gz POHYVSFODVOLDU-OAHLLOKOSA-N 1 1 358.442 3.461 20 5 FGBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CCCc2ccsc2)CC1 ZINC000590207130 506764176 /nfs/dbraw/zinc/76/41/76/506764176.db2.gz LNQYVXVBBKJVAL-UHFFFAOYSA-N 1 1 359.451 3.047 20 5 FGBDMO CC(C)C[N@@H+](C)CCCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000600070191 506764142 /nfs/dbraw/zinc/76/41/42/506764142.db2.gz GPDSNGMKFDDAPW-UHFFFAOYSA-N 1 1 372.263 3.065 20 5 FGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000583452847 506786708 /nfs/dbraw/zinc/78/67/08/506786708.db2.gz CZXXPBYNZNQNNA-LJQANCHMSA-N 1 1 353.422 3.265 20 5 FGBDMO CN1C[C@H]([N@@H+](C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCC1=O ZINC000600179047 506824880 /nfs/dbraw/zinc/82/48/80/506824880.db2.gz SAFVBPTZFLZEIO-OAHLLOKOSA-N 1 1 359.451 3.376 20 5 FGBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000604440527 506833623 /nfs/dbraw/zinc/83/36/23/506833623.db2.gz IMORKONNZVLNPN-JKSUJKDBSA-N 1 1 362.474 3.024 20 5 FGBDMO O=C1CC[C@@H]2C[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC[C@@H]2N1 ZINC000597204389 506834106 /nfs/dbraw/zinc/83/41/06/506834106.db2.gz AVWCYSQWYLARBZ-CJNGLKHVSA-N 1 1 371.462 3.424 20 5 FGBDMO CN1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCC1=O ZINC000597214382 506840077 /nfs/dbraw/zinc/84/00/77/506840077.db2.gz PFRPJOKYBOTLHN-UHFFFAOYSA-N 1 1 363.801 3.172 20 5 FGBDMO CN1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCC1=O ZINC000597214382 506840080 /nfs/dbraw/zinc/84/00/80/506840080.db2.gz PFRPJOKYBOTLHN-UHFFFAOYSA-N 1 1 363.801 3.172 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@H]3C[C@H]3C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000597222533 506844299 /nfs/dbraw/zinc/84/42/99/506844299.db2.gz FCZWMNPTIBTSMA-QWRGUYRKSA-N 1 1 360.332 3.386 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@H]3C[C@H]3C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000597222533 506844306 /nfs/dbraw/zinc/84/43/06/506844306.db2.gz FCZWMNPTIBTSMA-QWRGUYRKSA-N 1 1 360.332 3.386 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@H]([C@H]3CCCCO3)C1)OCCO2 ZINC000597225699 506846093 /nfs/dbraw/zinc/84/60/93/506846093.db2.gz SRANJMPOPNIOAF-WMLDXEAASA-N 1 1 362.426 3.147 20 5 FGBDMO CCC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000604492856 506849708 /nfs/dbraw/zinc/84/97/08/506849708.db2.gz JPMIBSMLXHDDDG-UHFFFAOYSA-N 1 1 357.410 3.115 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594026338 506892584 /nfs/dbraw/zinc/89/25/84/506892584.db2.gz JLNAAJXEKSALSU-QGZVFWFLSA-N 1 1 361.442 3.265 20 5 FGBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000609530438 506911186 /nfs/dbraw/zinc/91/11/86/506911186.db2.gz RLMVDWYQRQGZQP-OAHLLOKOSA-N 1 1 374.466 3.323 20 5 FGBDMO Cc1ccc([C@H]2CCC[N@@H+]2CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)o1 ZINC000609706091 506979236 /nfs/dbraw/zinc/97/92/36/506979236.db2.gz USMOFOQSTSPUMT-MRXNPFEDSA-N 1 1 355.394 3.222 20 5 FGBDMO Cc1ccc([C@H]2CCC[N@H+]2CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)o1 ZINC000609706091 506979243 /nfs/dbraw/zinc/97/92/43/506979243.db2.gz USMOFOQSTSPUMT-MRXNPFEDSA-N 1 1 355.394 3.222 20 5 FGBDMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000609767151 506993667 /nfs/dbraw/zinc/99/36/67/506993667.db2.gz QEOSAIXTFJBYLE-YJBOKZPZSA-N 1 1 370.453 3.351 20 5 FGBDMO C[C@H]1CN2CCCC[C@H]2C[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000609767151 506993671 /nfs/dbraw/zinc/99/36/71/506993671.db2.gz QEOSAIXTFJBYLE-YJBOKZPZSA-N 1 1 370.453 3.351 20 5 FGBDMO C[C@H]1CN2CCCC[C@H]2C[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000609767151 506993679 /nfs/dbraw/zinc/99/36/79/506993679.db2.gz QEOSAIXTFJBYLE-YJBOKZPZSA-N 1 1 370.453 3.351 20 5 FGBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000594195714 506999231 /nfs/dbraw/zinc/99/92/31/506999231.db2.gz HQUFSSOVHRMTRI-LSDHHAIUSA-N 1 1 371.359 3.360 20 5 FGBDMO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000609854502 507024380 /nfs/dbraw/zinc/02/43/80/507024380.db2.gz JDDQCAJCHMKPKK-UHFFFAOYSA-N 1 1 359.813 3.036 20 5 FGBDMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000609854502 507024387 /nfs/dbraw/zinc/02/43/87/507024387.db2.gz JDDQCAJCHMKPKK-UHFFFAOYSA-N 1 1 359.813 3.036 20 5 FGBDMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000609916225 507048643 /nfs/dbraw/zinc/04/86/43/507048643.db2.gz FMZZIYIZHKEKBI-SIXWZSSISA-N 1 1 374.412 3.352 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000610121864 507107430 /nfs/dbraw/zinc/10/74/30/507107430.db2.gz GYMLHILOHHAJHI-OAHLLOKOSA-N 1 1 371.412 3.471 20 5 FGBDMO CSc1cccc(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597859991 507137832 /nfs/dbraw/zinc/13/78/32/507137832.db2.gz JIQSZABWSHKYTR-GFCCVEGCSA-N 1 1 351.472 3.167 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000597858858 507137890 /nfs/dbraw/zinc/13/78/90/507137890.db2.gz PRHSDJQHEWTRMW-ZDUSSCGKSA-N 1 1 351.472 3.309 20 5 FGBDMO Cc1[nH+]cn(CCCCc2noc(CNc3ccccc3[N+](=O)[O-])n2)c1C ZINC000594534356 507175503 /nfs/dbraw/zinc/17/55/03/507175503.db2.gz MFZRSSFROFOXHX-UHFFFAOYSA-N 1 1 370.413 3.426 20 5 FGBDMO Cc1sc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000610296440 507182437 /nfs/dbraw/zinc/18/24/37/507182437.db2.gz CWSWQGSPQBYDMU-OAHLLOKOSA-N 1 1 359.451 3.311 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[C@](O)(C(F)(F)F)CC3)c2c1 ZINC000601164888 507284024 /nfs/dbraw/zinc/28/40/24/507284024.db2.gz HUMYTRCEYUZEQO-OAHLLOKOSA-N 1 1 355.316 3.427 20 5 FGBDMO Cc1cc(C(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000598194817 507306562 /nfs/dbraw/zinc/30/65/62/507306562.db2.gz IZTBCSPEQKKPEG-LJQANCHMSA-N 1 1 367.449 3.292 20 5 FGBDMO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000598218023 507322012 /nfs/dbraw/zinc/32/20/12/507322012.db2.gz CKUWGEJNMLKPKQ-INIZCTEOSA-N 1 1 373.453 3.081 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CC(=O)N(c2ccccc2)C1 ZINC000595006378 507350901 /nfs/dbraw/zinc/35/09/01/507350901.db2.gz IUVSZXBSACUBDO-KBPBESRZSA-N 1 1 355.394 3.060 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCN(c2ccccc2F)C1=O ZINC000595020026 507357025 /nfs/dbraw/zinc/35/70/25/507357025.db2.gz UJIFOQIAXIEDPV-WBMJQRKESA-N 1 1 373.384 3.199 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCN(C2CCCCC2)C1=O ZINC000595021807 507358920 /nfs/dbraw/zinc/35/89/20/507358920.db2.gz GDQPECLUGISZCS-DYVFJYSZSA-N 1 1 361.442 3.188 20 5 FGBDMO C[C@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000595048650 507367581 /nfs/dbraw/zinc/36/75/81/507367581.db2.gz KTPFPSOETVHVIK-KDOFPFPSSA-N 1 1 351.410 3.206 20 5 FGBDMO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000610846079 507411624 /nfs/dbraw/zinc/41/16/24/507411624.db2.gz JPZDLKCVXNVGGD-DLBZAZTESA-N 1 1 364.442 3.487 20 5 FGBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000598464198 507436033 /nfs/dbraw/zinc/43/60/33/507436033.db2.gz ASGTUKRADFNIKR-UHFFFAOYSA-N 1 1 359.373 3.046 20 5 FGBDMO COc1nc(C)cc(C)c1C[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000598647942 507533274 /nfs/dbraw/zinc/53/32/74/507533274.db2.gz GGVWSERLFFDEMI-UHFFFAOYSA-N 1 1 372.425 3.076 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H](C(F)F)C2CCCCC2)c1 ZINC000598650368 507535255 /nfs/dbraw/zinc/53/52/55/507535255.db2.gz OSVQZTRPYHDSQB-ZBFHGGJFSA-N 1 1 358.385 3.138 20 5 FGBDMO C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000595583766 507575266 /nfs/dbraw/zinc/57/52/66/507575266.db2.gz ZIDSVBFRPXBPSV-HOCLYGCPSA-N 1 1 360.458 3.077 20 5 FGBDMO COc1ccccc1C[C@H](C)[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611269010 507593518 /nfs/dbraw/zinc/59/35/18/507593518.db2.gz XRNUUTGFBDAGBZ-AWEZNQCLSA-N 1 1 372.421 3.438 20 5 FGBDMO CCCO[C@H]1CCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611271233 507594845 /nfs/dbraw/zinc/59/48/45/507594845.db2.gz SAKAPTIQSKMMCO-HNNXBMFYSA-N 1 1 350.415 3.147 20 5 FGBDMO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000595627880 507599480 /nfs/dbraw/zinc/59/94/80/507599480.db2.gz AHCLBZUGYLCIMJ-TUAOUCFPSA-N 1 1 360.332 3.329 20 5 FGBDMO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000595627880 507599486 /nfs/dbraw/zinc/59/94/86/507599486.db2.gz AHCLBZUGYLCIMJ-TUAOUCFPSA-N 1 1 360.332 3.329 20 5 FGBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](C)C3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000611303473 507613346 /nfs/dbraw/zinc/61/33/46/507613346.db2.gz XYPOYVOELOYQMC-AWEZNQCLSA-N 1 1 361.442 3.444 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000611303435 507613583 /nfs/dbraw/zinc/61/35/83/507613583.db2.gz NGDGIZCNMUGRST-UONOGXRCSA-N 1 1 361.442 3.443 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000611303435 507613589 /nfs/dbraw/zinc/61/35/89/507613589.db2.gz NGDGIZCNMUGRST-UONOGXRCSA-N 1 1 361.442 3.443 20 5 FGBDMO COc1cc(C[N@H+]2CCCC[C@H]2[C@H](C)CO)c([N+](=O)[O-])cc1OC(F)F ZINC000595671108 507621360 /nfs/dbraw/zinc/62/13/60/507621360.db2.gz NENBJRROISFISL-YPMHNXCESA-N 1 1 374.384 3.188 20 5 FGBDMO CN1CCO[C@H]2CC[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C[C@H]21 ZINC000585767638 507622874 /nfs/dbraw/zinc/62/28/74/507622874.db2.gz XREZOFLOWIGMEU-MSOLQXFVSA-N 1 1 373.478 3.228 20 5 FGBDMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1F ZINC000595753734 507667782 /nfs/dbraw/zinc/66/77/82/507667782.db2.gz TVCXKFAAHJPDBD-INIZCTEOSA-N 1 1 373.384 3.179 20 5 FGBDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1F ZINC000595753734 507667784 /nfs/dbraw/zinc/66/77/84/507667784.db2.gz TVCXKFAAHJPDBD-INIZCTEOSA-N 1 1 373.384 3.179 20 5 FGBDMO C[C@@H]([NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1[N+](=O)[O-] ZINC000611407528 507668591 /nfs/dbraw/zinc/66/85/91/507668591.db2.gz RMBYFEVPQORHPQ-XXWNAHEMSA-N 1 1 357.454 3.330 20 5 FGBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000595780734 507680819 /nfs/dbraw/zinc/68/08/19/507680819.db2.gz LXFCQKVQNPPQCD-QGZVFWFLSA-N 1 1 374.485 3.186 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@H]([C@H]4CCCCO4)C3)n2)cc1 ZINC000595785293 507683499 /nfs/dbraw/zinc/68/34/99/507683499.db2.gz DDUUIENKIZQURL-DOTOQJQBSA-N 1 1 372.425 3.426 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000595790973 507688641 /nfs/dbraw/zinc/68/86/41/507688641.db2.gz RPYDLWLDPLVTNP-YJBOKZPZSA-N 1 1 361.442 3.123 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@H]([C@H]4CCCCO4)C3)n2)c1 ZINC000595792237 507688809 /nfs/dbraw/zinc/68/88/09/507688809.db2.gz YSORLLTZLSRZJG-DOTOQJQBSA-N 1 1 372.425 3.426 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@H]([C@@H]4CCCCO4)C3)n2)c1 ZINC000595792241 507688932 /nfs/dbraw/zinc/68/89/32/507688932.db2.gz YSORLLTZLSRZJG-RDJZCZTQSA-N 1 1 372.425 3.426 20 5 FGBDMO Cc1ccc(C[N@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000592523798 507694846 /nfs/dbraw/zinc/69/48/46/507694846.db2.gz QJPVZMMZBAKSBS-SFHVURJKSA-N 1 1 353.422 3.042 20 5 FGBDMO CO[C@]1(C(F)(F)F)CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000614922547 507694945 /nfs/dbraw/zinc/69/49/45/507694945.db2.gz VWWUOFNICKJYCG-OAHLLOKOSA-N 1 1 362.348 3.407 20 5 FGBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000595839445 507707701 /nfs/dbraw/zinc/70/77/01/507707701.db2.gz YJHPZPSBRRUPTC-HNNXBMFYSA-N 1 1 359.426 3.405 20 5 FGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c(F)c1 ZINC000611498029 507707954 /nfs/dbraw/zinc/70/79/54/507707954.db2.gz HCOABHMCUXAFBV-HZPDHXFCSA-N 1 1 372.318 3.358 20 5 FGBDMO COc1cc(C[NH2+][C@@H](Cn2cccn2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000611516630 507717891 /nfs/dbraw/zinc/71/78/91/507717891.db2.gz UJZLEGVGWQBKHV-KRWDZBQOSA-N 1 1 352.394 3.331 20 5 FGBDMO C[C@@H]1C[C@@H](N(C)Cc2cc(Br)c([N+](=O)[O-])s2)CC[N@H+]1C ZINC000602475600 507719895 /nfs/dbraw/zinc/71/98/95/507719895.db2.gz LHPMXQYXVAXETA-ZJUUUORDSA-N 1 1 362.293 3.333 20 5 FGBDMO C[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1CCC[NH3+] ZINC000595904840 507735861 /nfs/dbraw/zinc/73/58/61/507735861.db2.gz MMLSGGRWHGHTBX-IUODEOHRSA-N 1 1 368.865 3.026 20 5 FGBDMO Cc1ccc(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c(N2CCCC2)[nH+]1 ZINC000611572291 507747056 /nfs/dbraw/zinc/74/70/56/507747056.db2.gz RLVMFWDSCOHXLJ-UHFFFAOYSA-N 1 1 374.828 3.482 20 5 FGBDMO CCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000825318061 608547784 /nfs/dbraw/zinc/54/77/84/608547784.db2.gz HRJYYDPWOOEYSK-UHFFFAOYSA-N 1 1 366.425 3.496 20 5 FGBDMO O=[N+]([O-])c1ccc(CC[NH+]2CCN(Cc3ccc(Cl)nc3)CC2)cc1 ZINC000116306912 700592640 /nfs/dbraw/zinc/59/26/40/700592640.db2.gz RNVQHSZUCUAGKU-UHFFFAOYSA-N 1 1 360.845 3.004 20 5 FGBDMO CC[N@H+](CCc1nccs1)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000121221518 700668194 /nfs/dbraw/zinc/66/81/94/700668194.db2.gz ZLKVYSIKBBVTKW-UHFFFAOYSA-N 1 1 368.846 3.208 20 5 FGBDMO CC[N@@H+](CCc1nccs1)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000121221518 700668196 /nfs/dbraw/zinc/66/81/96/700668196.db2.gz ZLKVYSIKBBVTKW-UHFFFAOYSA-N 1 1 368.846 3.208 20 5 FGBDMO COc1ccccc1C[N@H+](CCO)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000153758973 705011339 /nfs/dbraw/zinc/01/13/39/705011339.db2.gz VXPKSWXJYNXMFC-UHFFFAOYSA-N 1 1 350.802 3.251 20 5 FGBDMO COc1ccccc1C[N@@H+](CCO)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000153758973 705011344 /nfs/dbraw/zinc/01/13/44/705011344.db2.gz VXPKSWXJYNXMFC-UHFFFAOYSA-N 1 1 350.802 3.251 20 5 FGBDMO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000171832719 705397246 /nfs/dbraw/zinc/39/72/46/705397246.db2.gz SXKMWGFAJZNMFS-CYBMUJFWSA-N 1 1 351.422 3.108 20 5 FGBDMO CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000171832719 705397251 /nfs/dbraw/zinc/39/72/51/705397251.db2.gz SXKMWGFAJZNMFS-CYBMUJFWSA-N 1 1 351.422 3.108 20 5 FGBDMO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000174841077 705522478 /nfs/dbraw/zinc/52/24/78/705522478.db2.gz VUDRYRVOEPFJMX-CYBMUJFWSA-N 1 1 353.850 3.377 20 5 FGBDMO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000174841077 705522481 /nfs/dbraw/zinc/52/24/81/705522481.db2.gz VUDRYRVOEPFJMX-CYBMUJFWSA-N 1 1 353.850 3.377 20 5 FGBDMO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H](O)COCc1ccccc1 ZINC000174858760 705523206 /nfs/dbraw/zinc/52/32/06/705523206.db2.gz CAEILYGYRCKLRZ-QGZVFWFLSA-N 1 1 364.829 3.258 20 5 FGBDMO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H](O)COCc1ccccc1 ZINC000174858760 705523209 /nfs/dbraw/zinc/52/32/09/705523209.db2.gz CAEILYGYRCKLRZ-QGZVFWFLSA-N 1 1 364.829 3.258 20 5 FGBDMO Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2Cc2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000374305881 713912156 /nfs/dbraw/zinc/91/21/56/713912156.db2.gz APSLIKWBJNWTFM-RHSMWYFYSA-N 1 1 364.833 3.070 20 5 FGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C1CCN(c2cccnn2)CC1 ZINC000374681806 713939166 /nfs/dbraw/zinc/93/91/66/713939166.db2.gz XBLIJLCRLQCOLB-UHFFFAOYSA-N 1 1 361.833 3.139 20 5 FGBDMO C[NH+](C)[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000524681138 714295560 /nfs/dbraw/zinc/29/55/60/714295560.db2.gz XLQOBBCSEYEOCT-MRXNPFEDSA-N 1 1 365.792 3.420 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000525396417 714350258 /nfs/dbraw/zinc/35/02/58/714350258.db2.gz VAANHBMYYKYMFV-OCCSQVGLSA-N 1 1 353.850 3.122 20 5 FGBDMO Cc1ncc(CC[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)s1 ZINC000780766652 724499297 /nfs/dbraw/zinc/49/92/97/724499297.db2.gz HPMDPQUIURJMBI-MRXNPFEDSA-N 1 1 357.439 3.015 20 5 FGBDMO COCC[N@H+]1CCC[C@H](Nc2ccc(C)c(Br)c2[N+](=O)[O-])C1 ZINC000804439269 724517154 /nfs/dbraw/zinc/51/71/54/724517154.db2.gz VTKWXYUNHVUTHT-LBPRGKRZSA-N 1 1 372.263 3.188 20 5 FGBDMO Cc1ccc(N2CC[C@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])c1Br ZINC000804579896 724530618 /nfs/dbraw/zinc/53/06/18/724530618.db2.gz VGIBKUSUMRBSFQ-NSHDSACASA-N 1 1 365.231 3.393 20 5 FGBDMO CCc1cc(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000508330851 719244358 /nfs/dbraw/zinc/24/43/58/719244358.db2.gz WNYYBWMGUFIHNX-KGLIPLIRSA-N 1 1 355.442 3.143 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)n1 ZINC001164648363 719311722 /nfs/dbraw/zinc/31/17/22/719311722.db2.gz JAORMEGECWNGLY-UHFFFAOYSA-N 1 1 372.473 3.008 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)nc1Cl ZINC001164730348 720363993 /nfs/dbraw/zinc/36/39/93/720363993.db2.gz WZZIXMUZWRGMDV-GJZGRUSLSA-N 1 1 373.844 3.200 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)n1 ZINC001164861666 720970569 /nfs/dbraw/zinc/97/05/69/720970569.db2.gz QCKOYHUTRDQUDS-OAHLLOKOSA-N 1 1 372.473 3.225 20 5 FGBDMO Cc1nc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)ccc1[N+](=O)[O-] ZINC001164952763 722012791 /nfs/dbraw/zinc/01/27/91/722012791.db2.gz BDWRMJXFUBIKDQ-UHFFFAOYSA-N 1 1 367.453 3.186 20 5 FGBDMO CC1(C)CCC[N@@H+](CCNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000790965635 723200210 /nfs/dbraw/zinc/20/02/10/723200210.db2.gz OGTGLJSTBOLGFS-UHFFFAOYSA-N 1 1 371.840 3.168 20 5 FGBDMO O=[N+]([O-])c1ccc(Br)c2c1C[N@H+](CCCCCCO)CC2 ZINC000792892925 723377998 /nfs/dbraw/zinc/37/79/98/723377998.db2.gz WBDUPEOUYCSSIE-UHFFFAOYSA-N 1 1 357.248 3.268 20 5 FGBDMO O=[N+]([O-])c1ccc(Br)c2c1C[N@@H+](CCCCCCO)CC2 ZINC000792892925 723378001 /nfs/dbraw/zinc/37/80/01/723378001.db2.gz WBDUPEOUYCSSIE-UHFFFAOYSA-N 1 1 357.248 3.268 20 5 FGBDMO O=[N+]([O-])c1ccc(Br)c2c1C[N@H+](C[C@H]1CCSC1)CC2 ZINC000793609828 723454236 /nfs/dbraw/zinc/45/42/36/723454236.db2.gz CKZKQIXNSRGZCI-SNVBAGLBSA-N 1 1 357.273 3.469 20 5 FGBDMO O=[N+]([O-])c1ccc(Br)c2c1C[N@@H+](C[C@H]1CCSC1)CC2 ZINC000793609828 723454240 /nfs/dbraw/zinc/45/42/40/723454240.db2.gz CKZKQIXNSRGZCI-SNVBAGLBSA-N 1 1 357.273 3.469 20 5 FGBDMO CC(C)([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C(=O)NCC1CCCC1 ZINC000767659077 723627288 /nfs/dbraw/zinc/62/72/88/723627288.db2.gz OCOSDXZJTPBQCQ-UHFFFAOYSA-N 1 1 353.850 3.423 20 5 FGBDMO COCC[C@@H]1CCCC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000767939419 723640722 /nfs/dbraw/zinc/64/07/22/723640722.db2.gz BXZNNHDBZVWBQE-ZDUSSCGKSA-N 1 1 369.849 3.325 20 5 FGBDMO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccc2c(c1)OCC(=O)N2 ZINC000796840568 723656724 /nfs/dbraw/zinc/65/67/24/723656724.db2.gz YTQQCLKRNXYJRW-JTQLQIEISA-N 1 1 361.785 3.430 20 5 FGBDMO C[N@H+]1CCCC[C@H]1CCOC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000770158082 723707598 /nfs/dbraw/zinc/70/75/98/723707598.db2.gz SFWRKZXSLOJVJC-ZDUSSCGKSA-N 1 1 371.231 3.389 20 5 FGBDMO CN(CC[N@@H+](C)C1CC1)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000770222191 723709077 /nfs/dbraw/zinc/70/90/77/723709077.db2.gz MJABJQOKMCJVTR-UHFFFAOYSA-N 1 1 362.308 3.052 20 5 FGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1c(Br)cccc1[N+](=O)[O-] ZINC000770287507 723710300 /nfs/dbraw/zinc/71/03/00/723710300.db2.gz YJJFTZTUYLWKCS-OLZOCXBDSA-N 1 1 368.275 3.416 20 5 FGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CC(c3nc4ccccc4s3)C2)c1 ZINC000773535598 723797868 /nfs/dbraw/zinc/79/78/68/723797868.db2.gz JBQFOFRSNZPSQO-INIZCTEOSA-N 1 1 355.419 3.337 20 5 FGBDMO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CCC[C@@]4(CCCOC4)C3)c2c(Cl)c1 ZINC000774639120 723913103 /nfs/dbraw/zinc/91/31/03/723913103.db2.gz TWSYVBCWVMZMIS-QGZVFWFLSA-N 1 1 364.833 3.448 20 5 FGBDMO O=[N+]([O-])c1cc2cnn(C[N@H+]3CCC[C@@]4(CCCOC4)C3)c2c(Cl)c1 ZINC000774639120 723913105 /nfs/dbraw/zinc/91/31/05/723913105.db2.gz TWSYVBCWVMZMIS-QGZVFWFLSA-N 1 1 364.833 3.448 20 5 FGBDMO O=[N+]([O-])c1cc2cnn(C[N@H+]3CCC[C@@H]([C@@H]4CCOC4)C3)c2c(Cl)c1 ZINC000774638422 723913128 /nfs/dbraw/zinc/91/31/28/723913128.db2.gz GYTSQSPMTBOILD-CHWSQXEVSA-N 1 1 364.833 3.304 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccc([N+](=O)[O-])c(Cl)c3)nc2c1 ZINC000775179851 723968911 /nfs/dbraw/zinc/96/89/11/723968911.db2.gz SMQISDKTGWPBFW-UHFFFAOYSA-N 1 1 361.745 3.323 20 5 FGBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000776202626 724118476 /nfs/dbraw/zinc/11/84/76/724118476.db2.gz MOHXVBYIXHHOAB-CQSZACIVSA-N 1 1 358.467 3.402 20 5 FGBDMO C[N@H+](Cc1ccc(Br)o1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776278134 724127565 /nfs/dbraw/zinc/12/75/65/724127565.db2.gz SIESEUYULTUSDG-ZDUSSCGKSA-N 1 1 355.188 3.116 20 5 FGBDMO CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000801513210 724308702 /nfs/dbraw/zinc/30/87/02/724308702.db2.gz JOSHCBCWYFOHRG-CYBMUJFWSA-N 1 1 351.422 3.107 20 5 FGBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778289328 724318980 /nfs/dbraw/zinc/31/89/80/724318980.db2.gz NXZGWIPIVYEDAY-AWEZNQCLSA-N 1 1 355.385 3.019 20 5 FGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000785743487 724934839 /nfs/dbraw/zinc/93/48/39/724934839.db2.gz LXYONQYZXHXVIA-KBPBESRZSA-N 1 1 350.415 3.298 20 5 FGBDMO CC(C)[N@H+]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000813438860 726876435 /nfs/dbraw/zinc/87/64/35/726876435.db2.gz WFTJFZZMGSFVLT-UHFFFAOYSA-N 1 1 360.241 3.458 20 5 FGBDMO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C[C@@H]21 ZINC000814172709 726944588 /nfs/dbraw/zinc/94/45/88/726944588.db2.gz ADMYWRGBXAVNMO-HALDLXJZSA-N 1 1 358.419 3.174 20 5 FGBDMO C[C@@H]1CN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000814928522 727011967 /nfs/dbraw/zinc/01/19/67/727011967.db2.gz JUWKHMHBLPLLFS-DTORHVGOSA-N 1 1 362.308 3.051 20 5 FGBDMO C[C@@H]1CN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000814928522 727011969 /nfs/dbraw/zinc/01/19/69/727011969.db2.gz JUWKHMHBLPLLFS-DTORHVGOSA-N 1 1 362.308 3.051 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000820826757 729035061 /nfs/dbraw/zinc/03/50/61/729035061.db2.gz HFGSMYWMBWUMHS-NSHDSACASA-N 1 1 354.838 3.490 20 5 FGBDMO O=C(C[N@@H+]1CC[C@@H](c2ccncc2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000821270120 729072293 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O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@@]3(CCSC3)C2)nc1-c1ccccn1 ZINC000853516381 731716618 /nfs/dbraw/zinc/71/66/18/731716618.db2.gz LCHUDOYQKFUEGM-QGZVFWFLSA-N 1 1 359.455 3.030 20 5 FGBDMO O=[N+]([O-])c1cn(C[N@H+]2CCC[C@@]3(CCSC3)C2)nc1-c1ccccn1 ZINC000853516381 731716621 /nfs/dbraw/zinc/71/66/21/731716621.db2.gz LCHUDOYQKFUEGM-QGZVFWFLSA-N 1 1 359.455 3.030 20 5 FGBDMO Cn1cc[nH+]c1[C@H]1CCCN(c2cccc(Br)c2[N+](=O)[O-])C1 ZINC000856746631 732052720 /nfs/dbraw/zinc/05/27/20/732052720.db2.gz SQKJJOGSPOVMJN-NSHDSACASA-N 1 1 365.231 3.475 20 5 FGBDMO COCC[N@H+]1CCC[C@H]1COC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000861033002 732611960 /nfs/dbraw/zinc/61/19/60/732611960.db2.gz YRCXECJPQVWXON-AWEZNQCLSA-N 1 1 364.423 3.077 20 5 FGBDMO C[C@@H]1C[N@@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H](C)C1(F)F ZINC000863275153 732937364 /nfs/dbraw/zinc/93/73/64/732937364.db2.gz PZXKXAXVNWFRQZ-TXEJJXNPSA-N 1 1 351.357 3.034 20 5 FGBDMO C[C@@H]1C[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H](C)C1(F)F ZINC000863275153 732937368 /nfs/dbraw/zinc/93/73/68/732937368.db2.gz PZXKXAXVNWFRQZ-TXEJJXNPSA-N 1 1 351.357 3.034 20 5 FGBDMO C[C@@H]1C[NH+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H](C)C1(F)F ZINC000863275154 732937411 /nfs/dbraw/zinc/93/74/11/732937411.db2.gz PZXKXAXVNWFRQZ-VXGBXAGGSA-N 1 1 351.357 3.034 20 5 FGBDMO COCCCN1CCC([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000872030301 735579236 /nfs/dbraw/zinc/57/92/36/735579236.db2.gz CLKWYUSIWUDCEU-AWEZNQCLSA-N 1 1 367.515 3.468 20 5 FGBDMO Cc1csc(CC2(O)CC[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)n1 ZINC000878928024 736934538 /nfs/dbraw/zinc/93/45/38/736934538.db2.gz JMJPZDYPTFYBPL-UHFFFAOYSA-N 1 1 361.467 3.238 20 5 FGBDMO C[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C[C@H](C)O1 ZINC000878954064 736938093 /nfs/dbraw/zinc/93/80/93/736938093.db2.gz QEQMHRYFOJCKFK-MNOVXSKESA-N 1 1 366.805 3.298 20 5 FGBDMO C[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C[C@H](C)O1 ZINC000878954064 736938095 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3.279 20 5 FGBDMO Cc1noc(C[C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)n1 ZINC000897578753 742691308 /nfs/dbraw/zinc/69/13/08/742691308.db2.gz FCPOQVYPRRNJRH-LBPRGKRZSA-N 1 1 350.806 3.394 20 5 FGBDMO Cc1noc(C[C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)n1 ZINC000897578753 742691310 /nfs/dbraw/zinc/69/13/10/742691310.db2.gz FCPOQVYPRRNJRH-LBPRGKRZSA-N 1 1 350.806 3.394 20 5 FGBDMO Cn1c[nH+]cc1CCCOc1cc(F)c(Br)cc1[N+](=O)[O-] ZINC000902358292 743736541 /nfs/dbraw/zinc/73/65/41/743736541.db2.gz GSFIOGPEHQNVFS-UHFFFAOYSA-N 1 1 358.167 3.242 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CNCCC1(F)F ZINC000903958360 743905255 /nfs/dbraw/zinc/90/52/55/743905255.db2.gz YOEWSGUGYJKULR-CWRNSKLLSA-N 1 1 353.413 3.140 20 5 FGBDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913386236 757506950 /nfs/dbraw/zinc/50/69/50/757506950.db2.gz RJDYAGJSNQJZGE-JTQLQIEISA-N 1 1 368.796 3.414 20 5 FGBDMO 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493871821 /nfs/dbraw/zinc/87/18/21/493871821.db2.gz CRBNUEAUIOUUNY-GFCCVEGCSA-N 1 1 363.439 3.432 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C)s1 ZINC000076342869 493871824 /nfs/dbraw/zinc/87/18/24/493871824.db2.gz CRBNUEAUIOUUNY-GFCCVEGCSA-N 1 1 363.439 3.432 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000076387843 493881033 /nfs/dbraw/zinc/88/10/33/493881033.db2.gz PMFCHNKDUAEAIY-AWEZNQCLSA-N 1 1 359.451 3.393 20 5 FGBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000081534004 493911682 /nfs/dbraw/zinc/91/16/82/493911682.db2.gz BMDYGESLMLUZNI-LJQANCHMSA-N 1 1 371.412 3.357 20 5 FGBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000081534004 493911689 /nfs/dbraw/zinc/91/16/89/493911689.db2.gz BMDYGESLMLUZNI-LJQANCHMSA-N 1 1 371.412 3.357 20 5 FGBDMO O=C(Nc1ccccc1C[NH+]1CCSCC1)c1ccc([N+](=O)[O-])s1 ZINC000061285448 493971981 /nfs/dbraw/zinc/97/19/81/493971981.db2.gz KJRBTMMHVHJTMW-UHFFFAOYSA-N 1 1 363.464 3.457 20 5 FGBDMO CC(C)CCO[C@@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000083246973 494014427 /nfs/dbraw/zinc/01/44/27/494014427.db2.gz USIFBEDHRVMQNY-MRXNPFEDSA-N 1 1 360.414 3.282 20 5 FGBDMO CC(C)CCO[C@@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000083246973 494014429 /nfs/dbraw/zinc/01/44/29/494014429.db2.gz USIFBEDHRVMQNY-MRXNPFEDSA-N 1 1 360.414 3.282 20 5 FGBDMO O=[N+]([O-])c1sccc1NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000063258408 494036674 /nfs/dbraw/zinc/03/66/74/494036674.db2.gz ZJMVMFDJAGEKCB-UHFFFAOYSA-N 1 1 350.419 3.030 20 5 FGBDMO CC[N@@H+](CCc1ccccc1)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000052968348 494080257 /nfs/dbraw/zinc/08/02/57/494080257.db2.gz MEMQQAXYLIBLMJ-UHFFFAOYSA-N 1 1 357.410 3.107 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000008351281 494085740 /nfs/dbraw/zinc/08/57/40/494085740.db2.gz XMWUPQHRPOTHFD-AWEZNQCLSA-N 1 1 351.472 3.068 20 5 FGBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000087168849 494179466 /nfs/dbraw/zinc/17/94/66/494179466.db2.gz JYIKBTFSRGKEKX-LPHOPBHVSA-N 1 1 367.449 3.479 20 5 FGBDMO Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000054127461 494198140 /nfs/dbraw/zinc/19/81/40/494198140.db2.gz BUNXOTBOGXFNJC-UHFFFAOYSA-N 1 1 357.385 3.000 20 5 FGBDMO Cc1ccc(NC(=O)NCC[N@@H+]2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000054348981 494223111 /nfs/dbraw/zinc/22/31/11/494223111.db2.gz WLBYCBFKVYTJEW-UHFFFAOYSA-N 1 1 360.439 3.145 20 5 FGBDMO Cc1ccc(NC(=O)NCC[N@H+]2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000054348981 494223117 /nfs/dbraw/zinc/22/31/17/494223117.db2.gz WLBYCBFKVYTJEW-UHFFFAOYSA-N 1 1 360.439 3.145 20 5 FGBDMO COc1ccccc1C[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000072772245 494249204 /nfs/dbraw/zinc/24/92/04/494249204.db2.gz WAGCCSDWDWINNM-AWEZNQCLSA-N 1 1 357.410 3.105 20 5 FGBDMO COc1ccccc1C[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000072772245 494249207 /nfs/dbraw/zinc/24/92/07/494249207.db2.gz WAGCCSDWDWINNM-AWEZNQCLSA-N 1 1 357.410 3.105 20 5 FGBDMO COc1cc(N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000078265502 494266200 /nfs/dbraw/zinc/26/62/00/494266200.db2.gz CRYBMVXYWGTIJY-YOEHRIQHSA-N 1 1 356.426 3.321 20 5 FGBDMO CC[C@](C)([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1nc(C)cs1 ZINC000072863855 494270337 /nfs/dbraw/zinc/27/03/37/494270337.db2.gz VJXOPUAQQPGPKP-KRWDZBQOSA-N 1 1 362.455 3.238 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000043149325 494271042 /nfs/dbraw/zinc/27/10/42/494271042.db2.gz MSIPWHGFHCPUBK-UHFFFAOYSA-N 1 1 354.410 3.083 20 5 FGBDMO O=C(Nc1ccccc1)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000055030542 494292135 /nfs/dbraw/zinc/29/21/35/494292135.db2.gz OJGAFHDKLFAOPG-UHFFFAOYSA-N 1 1 354.410 3.381 20 5 FGBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000014929387 494329404 /nfs/dbraw/zinc/32/94/04/494329404.db2.gz WMPDTZOXWSQAND-GFCCVEGCSA-N 1 1 361.373 3.202 20 5 FGBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000014929387 494329409 /nfs/dbraw/zinc/32/94/09/494329409.db2.gz WMPDTZOXWSQAND-GFCCVEGCSA-N 1 1 361.373 3.202 20 5 FGBDMO COc1cccc([C@H](C)[NH+]2CCN(c3ncc(C)cc3[N+](=O)[O-])CC2)c1 ZINC000078659604 494339331 /nfs/dbraw/zinc/33/93/31/494339331.db2.gz KUFWRKGROGROAQ-HNNXBMFYSA-N 1 1 356.426 3.190 20 5 FGBDMO COC(=O)CC1CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000089886833 494393152 /nfs/dbraw/zinc/39/31/52/494393152.db2.gz FSFFKGUHSBNWRI-UHFFFAOYSA-N 1 1 359.382 3.025 20 5 FGBDMO C[C@H](O)C[C@H]1COCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000568565705 505723051 /nfs/dbraw/zinc/72/30/51/505723051.db2.gz OYRSMCRJZVYQLW-BBRMVZONSA-N 1 1 362.451 3.295 20 5 FGBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000067292941 494509763 /nfs/dbraw/zinc/50/97/63/494509763.db2.gz XVWUSSRRHWGERK-UHFFFAOYSA-N 1 1 370.453 3.163 20 5 FGBDMO C[C@H](O)C[C@H]1COCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000568565705 505723054 /nfs/dbraw/zinc/72/30/54/505723054.db2.gz OYRSMCRJZVYQLW-BBRMVZONSA-N 1 1 362.451 3.295 20 5 FGBDMO CC(C)[N@H+]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000079969811 494560707 /nfs/dbraw/zinc/56/07/07/494560707.db2.gz JHGHNRACUXOWIH-UHFFFAOYSA-N 1 1 359.348 3.170 20 5 FGBDMO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000023356050 494562025 /nfs/dbraw/zinc/56/20/25/494562025.db2.gz MOMXFMRBJQHMGT-IUODEOHRSA-N 1 1 366.364 3.306 20 5 FGBDMO O=C(c1ccccc1F)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000126086599 494630902 /nfs/dbraw/zinc/63/09/02/494630902.db2.gz ORIAETXMMUINCO-UHFFFAOYSA-N 1 1 357.385 3.082 20 5 FGBDMO O=C(c1ccccc1F)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000126086599 494630911 /nfs/dbraw/zinc/63/09/11/494630911.db2.gz ORIAETXMMUINCO-UHFFFAOYSA-N 1 1 357.385 3.082 20 5 FGBDMO C[C@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000057175743 494667468 /nfs/dbraw/zinc/66/74/68/494667468.db2.gz GETIMGUWLAQWCJ-KXBFYZLASA-N 1 1 353.422 3.437 20 5 FGBDMO O=C(C[N@H+](Cc1ccccc1)C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000025224866 494710155 /nfs/dbraw/zinc/71/01/55/494710155.db2.gz OMSJIXDEUIKNHV-UHFFFAOYSA-N 1 1 351.406 3.149 20 5 FGBDMO O=C(C[N@@H+](Cc1ccccc1)C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000025224866 494710159 /nfs/dbraw/zinc/71/01/59/494710159.db2.gz OMSJIXDEUIKNHV-UHFFFAOYSA-N 1 1 351.406 3.149 20 5 FGBDMO Cc1cc([C@H]2CCC[N@@H+]2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)no1 ZINC000067962830 494710265 /nfs/dbraw/zinc/71/02/65/494710265.db2.gz DSXPZQKSESNVIK-QGZVFWFLSA-N 1 1 358.398 3.365 20 5 FGBDMO Cc1cc([C@H]2CCC[N@H+]2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)no1 ZINC000067962830 494710275 /nfs/dbraw/zinc/71/02/75/494710275.db2.gz DSXPZQKSESNVIK-QGZVFWFLSA-N 1 1 358.398 3.365 20 5 FGBDMO COc1cc(C[N@H+](C)CCOCc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000091937025 494727751 /nfs/dbraw/zinc/72/77/51/494727751.db2.gz JYWLJYIJZUERLA-UHFFFAOYSA-N 1 1 360.410 3.261 20 5 FGBDMO COc1cc(C[N@@H+](C)CCOCc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000091937025 494727761 /nfs/dbraw/zinc/72/77/61/494727761.db2.gz JYWLJYIJZUERLA-UHFFFAOYSA-N 1 1 360.410 3.261 20 5 FGBDMO CC(C)CO[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000091964109 494738952 /nfs/dbraw/zinc/73/89/52/494738952.db2.gz RTFGWJKFCUJYOD-SFHVURJKSA-N 1 1 358.442 3.242 20 5 FGBDMO COc1ccc([C@@H](CO)[N@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000116280853 494750946 /nfs/dbraw/zinc/75/09/46/494750946.db2.gz PCACBYMVDZTHHU-QGZVFWFLSA-N 1 1 350.802 3.422 20 5 FGBDMO COc1ccc([C@@H](CO)[N@@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000116280853 494750952 /nfs/dbraw/zinc/75/09/52/494750952.db2.gz PCACBYMVDZTHHU-QGZVFWFLSA-N 1 1 350.802 3.422 20 5 FGBDMO C[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000025633214 494764279 /nfs/dbraw/zinc/76/42/79/494764279.db2.gz ZFORHLBQWYIPLB-CYBMUJFWSA-N 1 1 373.840 3.425 20 5 FGBDMO O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CN1 ZINC000092105193 494792644 /nfs/dbraw/zinc/79/26/44/494792644.db2.gz XGYNXGGIJNFJNU-PBHICJAKSA-N 1 1 369.421 3.345 20 5 FGBDMO COc1ccc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1F ZINC000121542167 494797581 /nfs/dbraw/zinc/79/75/81/494797581.db2.gz MCBALJZMXNUHRN-LLVKDONJSA-N 1 1 362.357 3.460 20 5 FGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000075684835 494816014 /nfs/dbraw/zinc/81/60/14/494816014.db2.gz QEWAAKDPGAVVAI-BBWFWOEESA-N 1 1 361.486 3.477 20 5 FGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000075684835 494816020 /nfs/dbraw/zinc/81/60/20/494816020.db2.gz QEWAAKDPGAVVAI-BBWFWOEESA-N 1 1 361.486 3.477 20 5 FGBDMO Cc1ccccc1OCC[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000026337197 494819464 /nfs/dbraw/zinc/81/94/64/494819464.db2.gz DSRXWQZJRAGJBR-UHFFFAOYSA-N 1 1 357.410 3.243 20 5 FGBDMO Cc1cccc(N2CCC(NC(=O)c3cccc(C)c3[N+](=O)[O-])CC2)[nH+]1 ZINC000116669005 494834982 /nfs/dbraw/zinc/83/49/82/494834982.db2.gz DKOCZYYRXQUICY-UHFFFAOYSA-N 1 1 354.410 3.005 20 5 FGBDMO Cc1cccc(N2CCC(NC(=O)c3cccc([N+](=O)[O-])c3C)CC2)[nH+]1 ZINC000116667040 494835037 /nfs/dbraw/zinc/83/50/37/494835037.db2.gz IPTMFRLRFJJFLT-UHFFFAOYSA-N 1 1 354.410 3.005 20 5 FGBDMO COc1ccc(F)cc1[C@H](C)[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000109147026 494838614 /nfs/dbraw/zinc/83/86/14/494838614.db2.gz LXFAWYGXXWEIGN-YVEFUNNKSA-N 1 1 373.384 3.199 20 5 FGBDMO CC(C)Oc1nc(N2CC[NH+]([C@@H](C)c3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC000577528902 505746296 /nfs/dbraw/zinc/74/62/96/505746296.db2.gz KMEZGMQEKFPFRS-HNNXBMFYSA-N 1 1 371.441 3.055 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](c3ccncc3)C2)c2c(c1)COCO2 ZINC000577542288 505747838 /nfs/dbraw/zinc/74/78/38/505747838.db2.gz PFHIPNLSVRYQAB-OAHLLOKOSA-N 1 1 355.394 3.236 20 5 FGBDMO C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[N@H+]1C ZINC000132540202 494890039 /nfs/dbraw/zinc/89/00/39/494890039.db2.gz ILXFMHOHEGKBFN-GXFFZTMASA-N 1 1 359.348 3.168 20 5 FGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)COc1ccccc1Cl)CC2 ZINC000132584305 494895509 /nfs/dbraw/zinc/89/55/09/494895509.db2.gz STBHABFFKFZJGP-INIZCTEOSA-N 1 1 362.813 3.046 20 5 FGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)COc1ccccc1Cl)CC2 ZINC000132584305 494895510 /nfs/dbraw/zinc/89/55/10/494895510.db2.gz STBHABFFKFZJGP-INIZCTEOSA-N 1 1 362.813 3.046 20 5 FGBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000132931528 494945398 /nfs/dbraw/zinc/94/53/98/494945398.db2.gz OREBZJHCXQOULI-LBPRGKRZSA-N 1 1 373.375 3.418 20 5 FGBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000133018324 494956873 /nfs/dbraw/zinc/95/68/73/494956873.db2.gz JBRMZYYVCVGLEB-ZIAGYGMSSA-N 1 1 371.359 3.312 20 5 FGBDMO CN(C)c1cccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000118867326 495050435 /nfs/dbraw/zinc/05/04/35/495050435.db2.gz IYEHHVAIXKBPGB-GOSISDBHSA-N 1 1 368.437 3.436 20 5 FGBDMO CN(C)c1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000118867326 495050438 /nfs/dbraw/zinc/05/04/38/495050438.db2.gz IYEHHVAIXKBPGB-GOSISDBHSA-N 1 1 368.437 3.436 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000123006838 495065797 /nfs/dbraw/zinc/06/57/97/495065797.db2.gz AXSAUJIKNYNGGS-DYVFJYSZSA-N 1 1 374.441 3.084 20 5 FGBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000123346539 495118340 /nfs/dbraw/zinc/11/83/40/495118340.db2.gz UQZAVGSBZVLHMT-MRXNPFEDSA-N 1 1 369.421 3.422 20 5 FGBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000123369452 495122020 /nfs/dbraw/zinc/12/20/20/495122020.db2.gz KLPMQKOECSFJKX-OAHLLOKOSA-N 1 1 355.394 3.031 20 5 FGBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000123369452 495122025 /nfs/dbraw/zinc/12/20/25/495122025.db2.gz 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C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H]1c1ccccc1 ZINC000247923236 496928175 /nfs/dbraw/zinc/92/81/75/496928175.db2.gz CEWHQPXPILOHJE-RTBURBONSA-N 1 1 364.405 3.251 20 5 FGBDMO Cc1ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000248144028 496962583 /nfs/dbraw/zinc/96/25/83/496962583.db2.gz ZCLSJXCRYIDHBI-AEFFLSMTSA-N 1 1 354.410 3.470 20 5 FGBDMO O=[N+]([O-])c1ccccc1OCCN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000207872550 496975482 /nfs/dbraw/zinc/97/54/82/496975482.db2.gz FXNQDADUGDMXOI-TWGQIWQCSA-N 1 1 367.449 3.305 20 5 FGBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000248374177 496986354 /nfs/dbraw/zinc/98/63/54/496986354.db2.gz OIVTYFCVDNSXKG-DGCLKSJQSA-N 1 1 371.890 3.139 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000248687346 497079878 /nfs/dbraw/zinc/07/98/78/497079878.db2.gz AQFDGFPIRRZYFG-WBVHZDCISA-N 1 1 353.422 3.154 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000248729778 497091571 /nfs/dbraw/zinc/09/15/71/497091571.db2.gz DCHWMYWOITZGLD-OXQOHEQNSA-N 1 1 367.449 3.164 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000270689514 497179841 /nfs/dbraw/zinc/17/98/41/497179841.db2.gz SZSYQWARQCMSKH-JKSUJKDBSA-N 1 1 359.813 3.423 20 5 FGBDMO C[N@@H+](CCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C1CC1 ZINC000275430271 497324425 /nfs/dbraw/zinc/32/44/25/497324425.db2.gz CTTJHFRPDKRCIQ-UHFFFAOYSA-N 1 1 371.387 3.196 20 5 FGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@H]2Cn2cnc3ccccc32)c1 ZINC000271407315 497340470 /nfs/dbraw/zinc/34/04/70/497340470.db2.gz OZHSINBZRHUXAZ-FXAWDEMLSA-N 1 1 366.421 3.143 20 5 FGBDMO C[N@H+]1CCC[C@H]1CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000275550234 497361090 /nfs/dbraw/zinc/36/10/90/497361090.db2.gz NJQGEDAUDTXEAZ-ZDUSSCGKSA-N 1 1 371.387 3.196 20 5 FGBDMO C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000275550232 497361422 /nfs/dbraw/zinc/36/14/22/497361422.db2.gz NJQGEDAUDTXEAZ-CYBMUJFWSA-N 1 1 371.387 3.196 20 5 FGBDMO C[C@@H]1C[C@@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[N@H+]1C1CC1 ZINC000275605706 497379864 /nfs/dbraw/zinc/37/98/64/497379864.db2.gz GNFCLMOHRSAQOV-UKRRQHHQSA-N 1 1 361.445 3.449 20 5 FGBDMO COC(=O)c1cnc(NCc2ccccc2C[N@@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000190167953 497384697 /nfs/dbraw/zinc/38/46/97/497384697.db2.gz CBKVACSUEDRZCN-UHFFFAOYSA-N 1 1 372.425 3.229 20 5 FGBDMO COc1cc([N+](=O)[O-])c(C(=O)Nc2cc[nH+]c(N(C)C)c2)cc1SC ZINC000267291248 497518217 /nfs/dbraw/zinc/51/82/17/497518217.db2.gz YWFMWLOPBIYOEQ-UHFFFAOYSA-N 1 1 362.411 3.039 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000245736768 497521815 /nfs/dbraw/zinc/52/18/15/497521815.db2.gz KZGSSUACMRZBGV-SUMWQHHRSA-N 1 1 356.369 3.323 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000245736768 497521818 /nfs/dbraw/zinc/52/18/18/497521818.db2.gz KZGSSUACMRZBGV-SUMWQHHRSA-N 1 1 356.369 3.323 20 5 FGBDMO C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000245802878 497542007 /nfs/dbraw/zinc/54/20/07/497542007.db2.gz BAJSRQJBBJOODQ-NVXWUHKLSA-N 1 1 359.813 3.423 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000245802878 497542012 /nfs/dbraw/zinc/54/20/12/497542012.db2.gz BAJSRQJBBJOODQ-NVXWUHKLSA-N 1 1 359.813 3.423 20 5 FGBDMO C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272281520 497585402 /nfs/dbraw/zinc/58/54/02/497585402.db2.gz INBLLCOVDXCVTF-HIFRSBDPSA-N 1 1 359.451 3.297 20 5 FGBDMO C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272363860 497608867 /nfs/dbraw/zinc/60/88/67/497608867.db2.gz SOACUNXZJXNCES-LPHOPBHVSA-N 1 1 367.449 3.164 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000272498972 497644862 /nfs/dbraw/zinc/64/48/62/497644862.db2.gz GMCZYONCACKSOP-NVXWUHKLSA-N 1 1 356.426 3.109 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](OCCC(C)C)C2)cccc1[N+](=O)[O-] ZINC000246407257 497722911 /nfs/dbraw/zinc/72/29/11/497722911.db2.gz JUPFWBPFEFYLSI-HZPDHXFCSA-N 1 1 363.458 3.367 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](OCCC(C)C)C2)cccc1[N+](=O)[O-] ZINC000246407257 497722916 /nfs/dbraw/zinc/72/29/16/497722916.db2.gz JUPFWBPFEFYLSI-HZPDHXFCSA-N 1 1 363.458 3.367 20 5 FGBDMO C[C@H](NC(=O)Nc1ccncc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272766726 497725430 /nfs/dbraw/zinc/72/54/30/497725430.db2.gz WRDOGELIVQLWRC-GOEBONIOSA-N 1 1 369.425 3.022 20 5 FGBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000194678021 497736551 /nfs/dbraw/zinc/73/65/51/497736551.db2.gz KOKGWZKSUSJTAA-UHFFFAOYSA-N 1 1 370.453 3.388 20 5 FGBDMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3cc(F)ccc3[N+](=O)[O-])sc2C1 ZINC000272982098 497777440 /nfs/dbraw/zinc/77/74/40/497777440.db2.gz DDMCTMBAVDYRAB-UHFFFAOYSA-N 1 1 364.402 3.209 20 5 FGBDMO CC(C)[N@H+]1CCc2nc(NC(=O)c3cc(F)ccc3[N+](=O)[O-])sc2C1 ZINC000272982098 497777445 /nfs/dbraw/zinc/77/74/45/497777445.db2.gz DDMCTMBAVDYRAB-UHFFFAOYSA-N 1 1 364.402 3.209 20 5 FGBDMO C[C@@H]1C[C@@H](CC[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000273124758 497801767 /nfs/dbraw/zinc/80/17/67/497801767.db2.gz AKCXCJVOHDIAGZ-VKJFTORMSA-N 1 1 358.442 3.213 20 5 FGBDMO COc1cc(C[N@@H+](C(C)C)[C@H]2CCOC2)c([N+](=O)[O-])cc1OC(F)F ZINC000291977703 497822579 /nfs/dbraw/zinc/82/25/79/497822579.db2.gz WBBLZNYSJYXVPH-LBPRGKRZSA-N 1 1 360.357 3.204 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@H]3[C@@H]3CCCO3)o2)c1 ZINC000284753881 497889736 /nfs/dbraw/zinc/88/97/36/497889736.db2.gz LOWRZSUGBBVLKH-IRXDYDNUSA-N 1 1 357.410 3.436 20 5 FGBDMO Cc1ncc(C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)n1-c1ccccc1 ZINC000364327443 497902801 /nfs/dbraw/zinc/90/28/01/497902801.db2.gz JMLRIIIUYWKHEX-KRWDZBQOSA-N 1 1 366.425 3.123 20 5 FGBDMO Cc1ncc(C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)n1-c1ccccc1 ZINC000364327443 497902806 /nfs/dbraw/zinc/90/28/06/497902806.db2.gz JMLRIIIUYWKHEX-KRWDZBQOSA-N 1 1 366.425 3.123 20 5 FGBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000301221147 498005338 /nfs/dbraw/zinc/00/53/38/498005338.db2.gz BSXQTACVPBCRIG-XQQFMLRXSA-N 1 1 359.430 3.022 20 5 FGBDMO Cn1cc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000285239350 498031226 /nfs/dbraw/zinc/03/12/26/498031226.db2.gz SKMLBNHZWLWDPF-ROUUACIJSA-N 1 1 356.426 3.139 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000301269263 498031485 /nfs/dbraw/zinc/03/14/85/498031485.db2.gz NBNJCYCOOHHGDI-CYBMUJFWSA-N 1 1 357.439 3.015 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000364623426 498055837 /nfs/dbraw/zinc/05/58/37/498055837.db2.gz GKYWDALBBNIKSA-CXAGYDPISA-N 1 1 359.451 3.388 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000281304858 498097024 /nfs/dbraw/zinc/09/70/24/498097024.db2.gz DKHQWRUGRQTIAX-AGUYFDCRSA-N 1 1 362.430 3.130 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(NCc2ccc(C[NH+]3CCN(C)CC3)cc2)c1 ZINC000301588565 498176842 /nfs/dbraw/zinc/17/68/42/498176842.db2.gz XPDXYYMSVFPEGI-UHFFFAOYSA-N 1 1 354.454 3.263 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)nc1 ZINC000301654799 498208196 /nfs/dbraw/zinc/20/81/96/498208196.db2.gz AMDZZXPQNLJHQR-PKOBYXMFSA-N 1 1 352.438 3.481 20 5 FGBDMO COc1cc(OC)c(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000572563942 505998208 /nfs/dbraw/zinc/99/82/08/505998208.db2.gz SMHAYWOGDIVJPU-UHFFFAOYSA-N 1 1 360.410 3.295 20 5 FGBDMO COc1cc(OC)c(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000572563942 505998211 /nfs/dbraw/zinc/99/82/11/505998211.db2.gz SMHAYWOGDIVJPU-UHFFFAOYSA-N 1 1 360.410 3.295 20 5 FGBDMO C[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1c(F)cncc1F ZINC000285885980 498230101 /nfs/dbraw/zinc/23/01/01/498230101.db2.gz YYYBAKWEACUXJF-SECBINFHSA-N 1 1 368.315 3.087 20 5 FGBDMO CN(C(=O)C[N@@H+]1CC[C@H](C(F)(F)F)C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000330983753 498230694 /nfs/dbraw/zinc/23/06/94/498230694.db2.gz QEGKXJQLWDAMCW-ZDUSSCGKSA-N 1 1 359.348 3.220 20 5 FGBDMO CN(C(=O)C[N@H+]1CC[C@H](C(F)(F)F)C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000330983753 498230699 /nfs/dbraw/zinc/23/06/99/498230699.db2.gz QEGKXJQLWDAMCW-ZDUSSCGKSA-N 1 1 359.348 3.220 20 5 FGBDMO CCO[C@@H](CC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000569727945 506002532 /nfs/dbraw/zinc/00/25/32/506002532.db2.gz RWYUJJKAVJDUGV-ZWKOTPCHSA-N 1 1 360.458 3.459 20 5 FGBDMO C[C@H](Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000301732848 498243497 /nfs/dbraw/zinc/24/34/97/498243497.db2.gz AAYCIHODUIMWAJ-SDBXPKJASA-N 1 1 367.755 3.398 20 5 FGBDMO C[C@H](Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000301732848 498243506 /nfs/dbraw/zinc/24/35/06/498243506.db2.gz AAYCIHODUIMWAJ-SDBXPKJASA-N 1 1 367.755 3.398 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)c(F)c1 ZINC000301742831 498248021 /nfs/dbraw/zinc/24/80/21/498248021.db2.gz YWSSXXXFKIPAMF-KXBFYZLASA-N 1 1 359.401 3.029 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000360341611 498267025 /nfs/dbraw/zinc/26/70/25/498267025.db2.gz GPCDLVSURGFVLR-KRWDZBQOSA-N 1 1 368.437 3.191 20 5 FGBDMO C[N@H+]1CC[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@H]1c1ccccc1 ZINC000301825792 498281737 /nfs/dbraw/zinc/28/17/37/498281737.db2.gz DWYIDZRMRCWHHT-MGPUTAFESA-N 1 1 366.421 3.337 20 5 FGBDMO O=[N+]([O-])c1cnc2ccc(NC[C@@H]3CCC[N@@H+](Cc4cccs4)C3)nn21 ZINC000301958506 498344262 /nfs/dbraw/zinc/34/42/62/498344262.db2.gz GNNUVEJKTJVSMN-ZDUSSCGKSA-N 1 1 372.454 3.023 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000286271497 498346304 /nfs/dbraw/zinc/34/63/04/498346304.db2.gz OKPWXTIDUDDKJB-IBGZPJMESA-N 1 1 371.462 3.395 20 5 FGBDMO Cc1cc(N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000301985453 498356633 /nfs/dbraw/zinc/35/66/33/498356633.db2.gz SXZFOFRLJNHMQX-MJGOQNOKSA-N 1 1 355.438 3.198 20 5 FGBDMO CN(c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)[C@@H]1CCC[N@@H+](C)C1 ZINC000302154339 498420045 /nfs/dbraw/zinc/42/00/45/498420045.db2.gz DGLSCQLZKDJXBV-MRXNPFEDSA-N 1 1 356.426 3.099 20 5 FGBDMO O=[N+]([O-])c1ccc2c(c1NCc1cccc(C[NH+]3CCOCC3)c1)CCN2 ZINC000302396759 498475378 /nfs/dbraw/zinc/47/53/78/498475378.db2.gz DBXXRDLFEZGSEZ-UHFFFAOYSA-N 1 1 368.437 3.007 20 5 FGBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000297598374 498505954 /nfs/dbraw/zinc/50/59/54/498505954.db2.gz HAAGWGHYWBZUIQ-YGRLFVJLSA-N 1 1 359.348 3.026 20 5 FGBDMO Cc1cc(CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc(N2CCCC2)[nH+]1 ZINC000581698271 506046761 /nfs/dbraw/zinc/04/67/61/506046761.db2.gz WRQURTANRMPZGX-UHFFFAOYSA-N 1 1 354.410 3.137 20 5 FGBDMO C[C@@H]([NH2+]Cc1cccnc1OCC(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293943314 498540737 /nfs/dbraw/zinc/54/07/37/498540737.db2.gz YTUBTRYBOMXESW-SNVBAGLBSA-N 1 1 370.331 3.364 20 5 FGBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C2)C1 ZINC000294087748 498584460 /nfs/dbraw/zinc/58/44/60/498584460.db2.gz KAEKRWJSXAUXHW-SFHVURJKSA-N 1 1 359.451 3.367 20 5 FGBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000332316077 498646536 /nfs/dbraw/zinc/64/65/36/498646536.db2.gz NXLRDDUXYROKQD-FGTMMUONSA-N 1 1 360.502 3.146 20 5 FGBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)C1 ZINC000294310891 498652759 /nfs/dbraw/zinc/65/27/59/498652759.db2.gz WKPNEQZGTXTMOT-MRXNPFEDSA-N 1 1 371.359 3.172 20 5 FGBDMO C[C@H]([NH2+]Cc1ccncc1OC[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000287211044 498673291 /nfs/dbraw/zinc/67/32/91/498673291.db2.gz MLPNGOKSIIVDBH-GJZGRUSLSA-N 1 1 357.410 3.256 20 5 FGBDMO C[NH+](C)[C@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000581892320 506084085 /nfs/dbraw/zinc/08/40/85/506084085.db2.gz IVEKQOWTTCPFPJ-KRWDZBQOSA-N 1 1 359.813 3.440 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000332528573 498713311 /nfs/dbraw/zinc/71/33/11/498713311.db2.gz QDRWTEHZHTXWEA-HNNXBMFYSA-N 1 1 363.483 3.407 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000332528573 498713317 /nfs/dbraw/zinc/71/33/17/498713317.db2.gz QDRWTEHZHTXWEA-HNNXBMFYSA-N 1 1 363.483 3.407 20 5 FGBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](Cc3cnc(-c4ccco4)s3)C2)c1 ZINC000366011673 498731075 /nfs/dbraw/zinc/73/10/75/498731075.db2.gz OEHIWYQBLWCSIT-LBPRGKRZSA-N 1 1 359.411 3.345 20 5 FGBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3cnc(-c4ccco4)s3)C2)c1 ZINC000366011673 498731077 /nfs/dbraw/zinc/73/10/77/498731077.db2.gz OEHIWYQBLWCSIT-LBPRGKRZSA-N 1 1 359.411 3.345 20 5 FGBDMO COc1ccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)c1OC ZINC000570078971 506084940 /nfs/dbraw/zinc/08/49/40/506084940.db2.gz GSWKODKZJJMGGC-OAHLLOKOSA-N 1 1 372.425 3.002 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1CC ZINC000332702351 498769187 /nfs/dbraw/zinc/76/91/87/498769187.db2.gz STHJFHFUYJHERY-UKRRQHHQSA-N 1 1 362.430 3.084 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCCN(c3ccccc3)CC2)c2c(c1)COCO2 ZINC000298731786 498864316 /nfs/dbraw/zinc/86/43/16/498864316.db2.gz NQUHDSKAOHYYBO-UHFFFAOYSA-N 1 1 369.421 3.174 20 5 FGBDMO Cc1cc(C(=O)N2CCC(Nc3cccc(C)[nH+]3)CC2)cc([N+](=O)[O-])c1 ZINC000363548743 498873590 /nfs/dbraw/zinc/87/35/90/498873590.db2.gz WGNYGBNMXJYOGW-UHFFFAOYSA-N 1 1 354.410 3.323 20 5 FGBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000283497689 498903891 /nfs/dbraw/zinc/90/38/91/498903891.db2.gz IJMKLCOZZJOJDY-UHFFFAOYSA-N 1 1 354.410 3.269 20 5 FGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000295092931 498906834 /nfs/dbraw/zinc/90/68/34/498906834.db2.gz GFCHYPOXSKMDBE-MAUKXSAKSA-N 1 1 370.453 3.286 20 5 FGBDMO Cc1cnn(C2CC[NH+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000363636704 498917870 /nfs/dbraw/zinc/91/78/70/498917870.db2.gz FDOUFWRQVUYOCA-OAHLLOKOSA-N 1 1 371.441 3.072 20 5 FGBDMO Cc1ccnc(-c2noc(C[N@H+](C)CCc3cccc([N+](=O)[O-])c3)n2)c1 ZINC000295142545 498924257 /nfs/dbraw/zinc/92/42/57/498924257.db2.gz DXXWBRYVOFSLBJ-UHFFFAOYSA-N 1 1 353.382 3.023 20 5 FGBDMO Cc1ccnc(-c2noc(C[N@@H+](C)CCc3cccc([N+](=O)[O-])c3)n2)c1 ZINC000295142545 498924265 /nfs/dbraw/zinc/92/42/65/498924265.db2.gz DXXWBRYVOFSLBJ-UHFFFAOYSA-N 1 1 353.382 3.023 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CCC3(CCOCC3)[C@H]2C)cccc1[N+](=O)[O-] ZINC000363793715 498995897 /nfs/dbraw/zinc/99/58/97/498995897.db2.gz JCXOSKDDIPZQGO-OAHLLOKOSA-N 1 1 361.442 3.123 20 5 FGBDMO CCc1nc(C)c(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)o1 ZINC000291807664 499074312 /nfs/dbraw/zinc/07/43/12/499074312.db2.gz XVHMARHQLLPKOR-UHFFFAOYSA-N 1 1 355.398 3.144 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000284400655 499102032 /nfs/dbraw/zinc/10/20/32/499102032.db2.gz NHSAKPVETDFIPE-PKOBYXMFSA-N 1 1 369.421 3.169 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000284400609 499102084 /nfs/dbraw/zinc/10/20/84/499102084.db2.gz NHSAKPVETDFIPE-HKUYNNGSSA-N 1 1 369.421 3.169 20 5 FGBDMO O=C1CCCN1CC1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000369808620 499131896 /nfs/dbraw/zinc/13/18/96/499131896.db2.gz LTFDEHIZIGHHEH-UHFFFAOYSA-N 1 1 351.834 3.083 20 5 FGBDMO C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(F)cc2)no1 ZINC000369902812 499149039 /nfs/dbraw/zinc/14/90/39/499149039.db2.gz QQBPGFHCGTYRKK-BDJLRTHQSA-N 1 1 372.356 3.168 20 5 FGBDMO COc1cc(C[NH+]2CCC(c3ccccn3)CC2)c([N+](=O)[O-])cc1OC ZINC000367461174 499201457 /nfs/dbraw/zinc/20/14/57/499201457.db2.gz RKPFGDMAVQMMHX-UHFFFAOYSA-N 1 1 357.410 3.387 20 5 FGBDMO COc1cc(C[NH2+][C@H]2c3ccccc3CC[C@@H]2CO)c([N+](=O)[O-])cc1F ZINC000370520084 499228185 /nfs/dbraw/zinc/22/81/85/499228185.db2.gz TZVPWOIFTYLYHS-BFUOFWGJSA-N 1 1 360.385 3.128 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCCN(C(=O)c2ccccn2)CC1 ZINC000367899614 499243316 /nfs/dbraw/zinc/24/33/16/499243316.db2.gz DEONCGSWQAUMIV-INIZCTEOSA-N 1 1 368.437 3.207 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCCN(C(=O)c2ccccn2)CC1 ZINC000367899614 499243318 /nfs/dbraw/zinc/24/33/18/499243318.db2.gz DEONCGSWQAUMIV-INIZCTEOSA-N 1 1 368.437 3.207 20 5 FGBDMO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000370703606 499245994 /nfs/dbraw/zinc/24/59/94/499245994.db2.gz ZPVHSRJEBXXPBY-CVEARBPZSA-N 1 1 351.834 3.224 20 5 FGBDMO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000370703606 499245996 /nfs/dbraw/zinc/24/59/96/499245996.db2.gz ZPVHSRJEBXXPBY-CVEARBPZSA-N 1 1 351.834 3.224 20 5 FGBDMO CCC[C@@]1(COC)CCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000573196716 506140581 /nfs/dbraw/zinc/14/05/81/506140581.db2.gz MSWZJJJBMHKUKR-KRWDZBQOSA-N 1 1 369.849 3.468 20 5 FGBDMO COCC[C@H]1CCCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000368770136 499330428 /nfs/dbraw/zinc/33/04/28/499330428.db2.gz MNDMCMIPJCLAGR-CQSZACIVSA-N 1 1 360.414 3.283 20 5 FGBDMO C[C@@H](NC(=O)N1CCC([N@H+]2CCC[C@@H]2C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000372086686 499397634 /nfs/dbraw/zinc/39/76/34/499397634.db2.gz OGKFGXFZNSCDTA-LSDHHAIUSA-N 1 1 360.458 3.314 20 5 FGBDMO Cc1c(C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2cccs2)cccc1[N+](=O)[O-] ZINC000369568520 499419466 /nfs/dbraw/zinc/41/94/66/499419466.db2.gz LFKCXXXOZCKJCE-DYVFJYSZSA-N 1 1 359.451 3.388 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OC ZINC000369596603 499424567 /nfs/dbraw/zinc/42/45/67/499424567.db2.gz JQSVNNMYRKNXSN-INMHGKMJSA-N 1 1 364.442 3.128 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(CN3C[C@@H]4C[N@H+]5CCCC[C@H]5[C@H]4C3)co2)cc1 ZINC000372385852 499427155 /nfs/dbraw/zinc/42/71/55/499427155.db2.gz RKDCLIUNOKNBHK-MNEFBYGVSA-N 1 1 368.437 3.166 20 5 FGBDMO Cc1c(NC(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cccc1[N+](=O)[O-] ZINC000372439843 499435224 /nfs/dbraw/zinc/43/52/24/499435224.db2.gz NUDAMJZKWIUZST-YJBOKZPZSA-N 1 1 369.425 3.113 20 5 FGBDMO C[N@@H+](C[C@H]1CC12CCN(C(=O)c1ccc([N+](=O)[O-])cc1F)CC2)C1CC1 ZINC000372442857 499435297 /nfs/dbraw/zinc/43/52/97/499435297.db2.gz AKSBKOFLZZLSRW-CYBMUJFWSA-N 1 1 361.417 3.070 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](O)c3ccccc3C2)cccc1[N+](=O)[O-] ZINC000373247241 499459624 /nfs/dbraw/zinc/45/96/24/499459624.db2.gz ZFPWCBJYDZEZKC-KUHUBIRLSA-N 1 1 369.421 3.170 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@H](O)c3ccccc3C2)cccc1[N+](=O)[O-] ZINC000373247241 499459625 /nfs/dbraw/zinc/45/96/25/499459625.db2.gz ZFPWCBJYDZEZKC-KUHUBIRLSA-N 1 1 369.421 3.170 20 5 FGBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](Cc3cc(-c4ccc(F)cc4)no3)C2)c1 ZINC000375405187 499514569 /nfs/dbraw/zinc/51/45/69/499514569.db2.gz RPVPBTMWDPRHTN-OAHLLOKOSA-N 1 1 371.372 3.423 20 5 FGBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3cc(-c4ccc(F)cc4)no3)C2)c1 ZINC000375405187 499514571 /nfs/dbraw/zinc/51/45/71/499514571.db2.gz RPVPBTMWDPRHTN-OAHLLOKOSA-N 1 1 371.372 3.423 20 5 FGBDMO CCOc1cc(C[N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)ccc1[N+](=O)[O-] ZINC000375466262 499522597 /nfs/dbraw/zinc/52/25/97/499522597.db2.gz SQEKQTHTJBIGLT-AWEZNQCLSA-N 1 1 358.398 3.243 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000378506774 499525363 /nfs/dbraw/zinc/52/53/63/499525363.db2.gz JFBJPRGXZLHECG-QFBILLFUSA-N 1 1 360.502 3.065 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000378506774 499525365 /nfs/dbraw/zinc/52/53/65/499525365.db2.gz JFBJPRGXZLHECG-QFBILLFUSA-N 1 1 360.502 3.065 20 5 FGBDMO CNc1c(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000379696888 499542890 /nfs/dbraw/zinc/54/28/90/499542890.db2.gz YEXKQRCWFBLISO-HNNXBMFYSA-N 1 1 370.453 3.277 20 5 FGBDMO O=[N+]([O-])c1ccc2nc(NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)ccc2c1 ZINC000380038872 499543300 /nfs/dbraw/zinc/54/33/00/499543300.db2.gz YCFJDJBLQSQRLT-QGZVFWFLSA-N 1 1 362.433 3.499 20 5 FGBDMO Cc1cc(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC000388882178 499551872 /nfs/dbraw/zinc/55/18/72/499551872.db2.gz DQJIZWZYWGYTTG-ROUUACIJSA-N 1 1 352.438 3.257 20 5 FGBDMO Cc1c(C[N@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)cccc1[N+](=O)[O-] ZINC000375779986 499555081 /nfs/dbraw/zinc/55/50/81/499555081.db2.gz NLTIJUCVIISZRH-ICSRJNTNSA-N 1 1 354.454 3.423 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc(CNc2ncnc3sc([N+](=O)[O-])cc32)cn1 ZINC000376104239 499583270 /nfs/dbraw/zinc/58/32/70/499583270.db2.gz QWXQCCITFDEQKM-UHFFFAOYSA-N 1 1 367.394 3.101 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C1Cc2ccccc2C1 ZINC000411184266 499707881 /nfs/dbraw/zinc/70/78/81/499707881.db2.gz FCRMEXSLEYAXPY-UHFFFAOYSA-N 1 1 369.421 3.031 20 5 FGBDMO CSc1ccc(OC[C@H](O)C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000411335812 499727078 /nfs/dbraw/zinc/72/70/78/499727078.db2.gz QPGVVQCTYWSOIP-QGZVFWFLSA-N 1 1 374.462 3.115 20 5 FGBDMO CSc1ccc(OC[C@H](O)C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000411335812 499727079 /nfs/dbraw/zinc/72/70/79/499727079.db2.gz QPGVVQCTYWSOIP-QGZVFWFLSA-N 1 1 374.462 3.115 20 5 FGBDMO CC(C)[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCc1nccs1 ZINC000411403207 499735462 /nfs/dbraw/zinc/73/54/62/499735462.db2.gz TWMBANATFSSEHF-UHFFFAOYSA-N 1 1 362.455 3.333 20 5 FGBDMO C[N@H+]1CC[C@@H](CNc2ccc3cc([N+](=O)[O-])ccc3n2)[C@@H]1c1cccnc1 ZINC000377975642 499752568 /nfs/dbraw/zinc/75/25/68/499752568.db2.gz VUMFAOCDBHRUBC-JXFKEZNVSA-N 1 1 363.421 3.065 20 5 FGBDMO COc1ccc(NC(=O)CCn2c[nH+]c3c2C[C@@H](C)[C@H](C)C3)c([N+](=O)[O-])c1 ZINC000411804562 499792585 /nfs/dbraw/zinc/79/25/85/499792585.db2.gz XAXXPQANBOYFIW-CHWSQXEVSA-N 1 1 372.425 3.200 20 5 FGBDMO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000412200137 499833115 /nfs/dbraw/zinc/83/31/15/499833115.db2.gz HZBMZTVOHLOFBE-KCUHQSDYSA-N 1 1 369.465 3.174 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000412224933 499835809 /nfs/dbraw/zinc/83/58/09/499835809.db2.gz VZODHWXKJKWYCW-ZGXWSNOMSA-N 1 1 365.433 3.260 20 5 FGBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000412704728 499878081 /nfs/dbraw/zinc/87/80/81/499878081.db2.gz ZUZMKNIQKSCDLV-CQSZACIVSA-N 1 1 357.385 3.080 20 5 FGBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1Cc1ccccc1 ZINC000412704728 499878083 /nfs/dbraw/zinc/87/80/83/499878083.db2.gz ZUZMKNIQKSCDLV-CQSZACIVSA-N 1 1 357.385 3.080 20 5 FGBDMO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425004873 499990639 /nfs/dbraw/zinc/99/06/39/499990639.db2.gz KDIBJUKWRJUFDZ-HNAYVOBHSA-N 1 1 369.396 3.080 20 5 FGBDMO Cc1sc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000425009645 499992012 /nfs/dbraw/zinc/99/20/12/499992012.db2.gz URMOUPJHFPOMDQ-DOTOQJQBSA-N 1 1 371.462 3.311 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])cc1-c1nc([C@H]2C[N@H+]3CCC[C@]3(C)CO2)no1 ZINC000421277997 500009076 /nfs/dbraw/zinc/00/90/76/500009076.db2.gz VWWOAOPBDHVAHE-CRAIPNDOSA-N 1 1 358.398 3.187 20 5 FGBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+](C)C2(CO)CCC2)cc1OC ZINC000429229167 500027894 /nfs/dbraw/zinc/02/78/94/500027894.db2.gz GOSPWYNXBOTJNG-CQSZACIVSA-N 1 1 366.458 3.375 20 5 FGBDMO CCN1CCC([N@H+]2CCCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000421377866 500032814 /nfs/dbraw/zinc/03/28/14/500032814.db2.gz SGLJWDBVOGKBSO-VMPITWQZSA-N 1 1 372.513 3.100 20 5 FGBDMO O=[N+]([O-])c1ccc2c(c1)[C@H](NC1CC[NH+]([C@H]3CCC[C@@H]3O)CC1)CCCC2 ZINC000417311320 500036153 /nfs/dbraw/zinc/03/61/53/500036153.db2.gz OIFIJSMSGMNKBQ-HKBOAZHASA-N 1 1 373.497 3.330 20 5 FGBDMO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CCN([C@H]3CCC[C@@H]3O)CC1)CCCC2 ZINC000417311320 500036156 /nfs/dbraw/zinc/03/61/56/500036156.db2.gz OIFIJSMSGMNKBQ-HKBOAZHASA-N 1 1 373.497 3.330 20 5 FGBDMO C[C@@H]1Cc2ccccc2N1C(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429265270 500036830 /nfs/dbraw/zinc/03/68/30/500036830.db2.gz PLILUNQVKOYDCA-CQSZACIVSA-N 1 1 353.422 3.397 20 5 FGBDMO CCc1nn(C)c(OC)c1C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417315630 500038188 /nfs/dbraw/zinc/03/81/88/500038188.db2.gz SPEGHZPOVQJVPL-GOSISDBHSA-N 1 1 358.442 3.457 20 5 FGBDMO CC(C)[C@@H](C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)N1CCN(C)CC1 ZINC000417324728 500039919 /nfs/dbraw/zinc/03/99/19/500039919.db2.gz QHZWFUQUAYOLCI-LEWJYISDSA-N 1 1 374.529 3.224 20 5 FGBDMO C[C@H]1CN(CCC[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000417336403 500043210 /nfs/dbraw/zinc/04/32/10/500043210.db2.gz VEOGWWUBXKFSQW-OXJNMPFZSA-N 1 1 361.486 3.453 20 5 FGBDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425439685 500106838 /nfs/dbraw/zinc/10/68/38/500106838.db2.gz FNECPEONNCUPSX-GYSYKLTISA-N 1 1 357.248 3.339 20 5 FGBDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425439685 500106840 /nfs/dbraw/zinc/10/68/40/500106840.db2.gz FNECPEONNCUPSX-GYSYKLTISA-N 1 1 357.248 3.339 20 5 FGBDMO C[N@H+]1CCC[C@@]2(CCN(Cc3ccc(Br)cc3[N+](=O)[O-])C2)C1 ZINC000425480492 500118086 /nfs/dbraw/zinc/11/80/86/500118086.db2.gz OVEOSXBBSNIWCF-MRXNPFEDSA-N 1 1 368.275 3.275 20 5 FGBDMO CC[C@@](C)(C(=O)OC)[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)CC1CC1 ZINC000425511256 500128371 /nfs/dbraw/zinc/12/83/71/500128371.db2.gz LFEMIXDSWXUZGG-SFHVURJKSA-N 1 1 350.415 3.157 20 5 FGBDMO CC[C@@](C)(C(=O)OC)[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)CC1CC1 ZINC000425511256 500128376 /nfs/dbraw/zinc/12/83/76/500128376.db2.gz LFEMIXDSWXUZGG-SFHVURJKSA-N 1 1 350.415 3.157 20 5 FGBDMO O=C(CC[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000425550459 500142335 /nfs/dbraw/zinc/14/23/35/500142335.db2.gz ILSACWVGCSXBOX-IBGZPJMESA-N 1 1 373.453 3.205 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425551519 500142832 /nfs/dbraw/zinc/14/28/32/500142832.db2.gz JSQCPNBHOYHIKZ-KDOFPFPSSA-N 1 1 373.453 3.203 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425557030 500146484 /nfs/dbraw/zinc/14/64/84/500146484.db2.gz VQNLVPNUEILFGP-LJQANCHMSA-N 1 1 373.453 3.123 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425557030 500146487 /nfs/dbraw/zinc/14/64/87/500146487.db2.gz VQNLVPNUEILFGP-LJQANCHMSA-N 1 1 373.453 3.123 20 5 FGBDMO C[C@H]([NH2+]C(C)(C)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000428032997 500460407 /nfs/dbraw/zinc/46/04/07/500460407.db2.gz PZBPVAASSHRKED-ZDUSSCGKSA-N 1 1 357.410 3.160 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420594296 500476016 /nfs/dbraw/zinc/47/60/16/500476016.db2.gz DCHGORIOHNCGBG-YOEHRIQHSA-N 1 1 368.437 3.016 20 5 FGBDMO O=C(C[N@@H+]1CCC[C@H](CC(F)(F)F)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000420948849 500538500 /nfs/dbraw/zinc/53/85/00/500538500.db2.gz OFLSQKYGNAUVFD-GFCCVEGCSA-N 1 1 371.359 3.148 20 5 FGBDMO O=C(C[N@H+]1CCC[C@H](CC(F)(F)F)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000420948849 500538504 /nfs/dbraw/zinc/53/85/04/500538504.db2.gz OFLSQKYGNAUVFD-GFCCVEGCSA-N 1 1 371.359 3.148 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@@H](CCO)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000421017497 500555067 /nfs/dbraw/zinc/55/50/67/500555067.db2.gz NJCGTQYNTMGPNZ-GFCCVEGCSA-N 1 1 374.384 3.189 20 5 FGBDMO CCc1ccc([C@@H]2CC[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000433069799 500618652 /nfs/dbraw/zinc/61/86/52/500618652.db2.gz WCEVMTKXJUWQQU-RTBURBONSA-N 1 1 370.449 3.386 20 5 FGBDMO C[N@@H+](CCCO)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000442964390 500654963 /nfs/dbraw/zinc/65/49/63/500654963.db2.gz IIROUMYGLZJTKW-UHFFFAOYSA-N 1 1 366.421 3.262 20 5 FGBDMO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3c[nH]nc3-c3ccsc3)CC2)c1 ZINC000437587501 500664812 /nfs/dbraw/zinc/66/48/12/500664812.db2.gz GSIDUFYQORRIOY-UHFFFAOYSA-N 1 1 369.450 3.369 20 5 FGBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000447804711 500666196 /nfs/dbraw/zinc/66/61/96/500666196.db2.gz FSEFIQAFGWMMOS-MNOVXSKESA-N 1 1 353.806 3.074 20 5 FGBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000447817793 500669484 /nfs/dbraw/zinc/66/94/84/500669484.db2.gz SJPKQMYMIIJQOI-KGLIPLIRSA-N 1 1 353.806 3.074 20 5 FGBDMO Cc1sc(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000437848028 500706405 /nfs/dbraw/zinc/70/64/05/500706405.db2.gz ZXXAFOVHZOUYHX-AWEZNQCLSA-N 1 1 351.472 3.492 20 5 FGBDMO CNc1c(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)cccc1[N+](=O)[O-] ZINC000437877594 500710956 /nfs/dbraw/zinc/71/09/56/500710956.db2.gz YLEZGTCPFUYXJH-HNNXBMFYSA-N 1 1 360.458 3.163 20 5 FGBDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000438844090 500825989 /nfs/dbraw/zinc/82/59/89/500825989.db2.gz XJDUFOFYOGVHMJ-YJBOKZPZSA-N 1 1 362.474 3.466 20 5 FGBDMO COc1ccc([C@@H]2CC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)cc1 ZINC000444625193 500868731 /nfs/dbraw/zinc/86/87/31/500868731.db2.gz HOZRVXSCWICYLR-CQSZACIVSA-N 1 1 352.394 3.469 20 5 FGBDMO COc1ccc2c(c1)CC[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)CC2 ZINC000444662746 500875286 /nfs/dbraw/zinc/87/52/86/500875286.db2.gz WVNOKAHKCNFDMO-UHFFFAOYSA-N 1 1 352.394 3.081 20 5 FGBDMO COc1ccc2c(c1)CC[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)CC2 ZINC000444662746 500875288 /nfs/dbraw/zinc/87/52/88/500875288.db2.gz WVNOKAHKCNFDMO-UHFFFAOYSA-N 1 1 352.394 3.081 20 5 FGBDMO COc1ccc(NC(=O)C[N@H+](C)Cc2cc(C)cc(C)c2)c([N+](=O)[O-])c1 ZINC000444703642 500883713 /nfs/dbraw/zinc/88/37/13/500883713.db2.gz KJMGFVHIMUVTPS-UHFFFAOYSA-N 1 1 357.410 3.291 20 5 FGBDMO COc1ccc(NC(=O)C[N@@H+](C)Cc2cc(C)cc(C)c2)c([N+](=O)[O-])c1 ZINC000444703642 500883716 /nfs/dbraw/zinc/88/37/16/500883716.db2.gz KJMGFVHIMUVTPS-UHFFFAOYSA-N 1 1 357.410 3.291 20 5 FGBDMO Cc1ccc(CNC(=O)c2cccc(C)c2[N+](=O)[O-])c(N2CCCC2)[nH+]1 ZINC000611582719 506222970 /nfs/dbraw/zinc/22/29/70/506222970.db2.gz BSQCHLIHNAOSMQ-UHFFFAOYSA-N 1 1 354.410 3.137 20 5 FGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CCCOCc1ccccc1 ZINC000439466277 500900328 /nfs/dbraw/zinc/90/03/28/500900328.db2.gz HDMFZYSNPQQRTN-MRXNPFEDSA-N 1 1 371.437 3.461 20 5 FGBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000439688096 500926378 /nfs/dbraw/zinc/92/63/78/500926378.db2.gz PICQBLZMMOUOFO-OAHLLOKOSA-N 1 1 358.442 3.316 20 5 FGBDMO Cn1nccc1[C@@H]1OCC[C@H]1C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449495107 501017432 /nfs/dbraw/zinc/01/74/32/501017432.db2.gz CCJQBOIEDVGWSB-ABSDTBQOSA-N 1 1 370.453 3.286 20 5 FGBDMO COc1cc(NCc2ccc(C[NH+]3CCOCC3)cc2)c([N+](=O)[O-])cc1C ZINC000596060520 506232762 /nfs/dbraw/zinc/23/27/62/506232762.db2.gz AUAIBMOJWDLMCA-UHFFFAOYSA-N 1 1 371.437 3.356 20 5 FGBDMO COC(=O)[C@H]1C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1c1ccccc1 ZINC000449752478 501075220 /nfs/dbraw/zinc/07/52/20/501075220.db2.gz FWBBQEUSCGIHIU-MSOLQXFVSA-N 1 1 354.406 3.292 20 5 FGBDMO CCOC(=O)[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)Cc2ccccc21 ZINC000441102612 501088520 /nfs/dbraw/zinc/08/85/20/501088520.db2.gz NBECMWZPOGKKPA-LJQANCHMSA-N 1 1 354.406 3.300 20 5 FGBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000450385297 501107290 /nfs/dbraw/zinc/10/72/90/501107290.db2.gz CZQZRPJLBCWNEY-CXAGYDPISA-N 1 1 356.426 3.072 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CCC[C@H]3O)o2)cc1 ZINC000451335322 501268577 /nfs/dbraw/zinc/26/85/77/501268577.db2.gz CYYRNOALZVXKJF-GVDBMIGSSA-N 1 1 372.425 3.160 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CCC[C@H]3O)n2)cc1 ZINC000451339042 501269564 /nfs/dbraw/zinc/26/95/64/501269564.db2.gz IAMFZFXXYWZHDZ-GVDBMIGSSA-N 1 1 372.425 3.160 20 5 FGBDMO O=C(C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)NC(C1CC1)C1CC1 ZINC000451545158 501319496 /nfs/dbraw/zinc/31/94/96/501319496.db2.gz GTIXVOFVRKDPGD-QGZVFWFLSA-N 1 1 357.454 3.079 20 5 FGBDMO O=C(C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)NC(C1CC1)C1CC1 ZINC000451545158 501319497 /nfs/dbraw/zinc/31/94/97/501319497.db2.gz GTIXVOFVRKDPGD-QGZVFWFLSA-N 1 1 357.454 3.079 20 5 FGBDMO CCO[C@@H]1CC[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C ZINC000451550580 501320899 /nfs/dbraw/zinc/32/08/99/501320899.db2.gz XAWPDOJZRCCTBV-WOSRLPQWSA-N 1 1 360.414 3.453 20 5 FGBDMO COc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000451551717 501321955 /nfs/dbraw/zinc/32/19/55/501321955.db2.gz USNKUWULYFGIJP-MRXNPFEDSA-N 1 1 369.421 3.422 20 5 FGBDMO COc1cccc(NC(=O)C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000451551717 501321957 /nfs/dbraw/zinc/32/19/57/501321957.db2.gz USNKUWULYFGIJP-MRXNPFEDSA-N 1 1 369.421 3.422 20 5 FGBDMO O=C(CC[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000451629318 501339793 /nfs/dbraw/zinc/33/97/93/501339793.db2.gz REIIOEOJVOYJHJ-WBVHZDCISA-N 1 1 373.453 3.205 20 5 FGBDMO CO[C@H]1C[C@@H]([N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C12CCC2 ZINC000451823640 501380120 /nfs/dbraw/zinc/38/01/20/501380120.db2.gz APIVHBBYRNLQFI-CABCVRRESA-N 1 1 358.398 3.034 20 5 FGBDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C12CCC2 ZINC000451823640 501380122 /nfs/dbraw/zinc/38/01/22/501380122.db2.gz APIVHBBYRNLQFI-CABCVRRESA-N 1 1 358.398 3.034 20 5 FGBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000451869210 501389064 /nfs/dbraw/zinc/38/90/64/501389064.db2.gz MZPCJDKCUUYKJZ-LLVKDONJSA-N 1 1 361.364 3.464 20 5 FGBDMO C[C@]12C[N@@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000452044498 501424139 /nfs/dbraw/zinc/42/41/39/501424139.db2.gz IYHSPEAZFHKFPO-SUVVTNLASA-N 1 1 371.437 3.261 20 5 FGBDMO C[C@@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[N@H+](C2CC2)C1 ZINC000458437558 501444413 /nfs/dbraw/zinc/44/44/13/501444413.db2.gz UGRXNFVWIBMNRS-INIZCTEOSA-N 1 1 374.485 3.043 20 5 FGBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000452169996 501451792 /nfs/dbraw/zinc/45/17/92/501451792.db2.gz HLMRGMCGBZCMIE-WBVHZDCISA-N 1 1 359.470 3.106 20 5 FGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000452172359 501452667 /nfs/dbraw/zinc/45/26/67/501452667.db2.gz WJXNNKAWMAWULL-UONOGXRCSA-N 1 1 363.483 3.018 20 5 FGBDMO NC(=O)c1cc(NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000596092289 506253960 /nfs/dbraw/zinc/25/39/60/506253960.db2.gz NGIYNKPSFLTBIQ-INIZCTEOSA-N 1 1 368.437 3.018 20 5 FGBDMO C[C@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000452181230 501455611 /nfs/dbraw/zinc/45/56/11/501455611.db2.gz HWBOZPWLEPUKIO-HNAYVOBHSA-N 1 1 353.422 3.437 20 5 FGBDMO Cc1c(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000456309386 501494240 /nfs/dbraw/zinc/49/42/40/501494240.db2.gz PSBDWTQVYUSKGP-INIZCTEOSA-N 1 1 367.449 3.497 20 5 FGBDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000456368268 501510439 /nfs/dbraw/zinc/51/04/39/501510439.db2.gz FFORTGRPCRXQNL-INIZCTEOSA-N 1 1 368.437 3.213 20 5 FGBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000456368268 501510440 /nfs/dbraw/zinc/51/04/40/501510440.db2.gz FFORTGRPCRXQNL-INIZCTEOSA-N 1 1 368.437 3.213 20 5 FGBDMO C[N@@H+](CCCCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CC1 ZINC000459172415 501607957 /nfs/dbraw/zinc/60/79/57/501607957.db2.gz YSWQDCPOVRFGMK-UHFFFAOYSA-N 1 1 360.458 3.143 20 5 FGBDMO COCC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H]1CC=CCC1 ZINC000485135123 501733679 /nfs/dbraw/zinc/73/36/79/501733679.db2.gz WLRUVTVFLFUBKJ-OAHLLOKOSA-N 1 1 372.425 3.450 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](OCc2ccccn2)C1 ZINC000602716111 506272635 /nfs/dbraw/zinc/27/26/35/506272635.db2.gz SXBATNPACCJIKV-GOSISDBHSA-N 1 1 357.410 3.180 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](OCc2ccccn2)C1 ZINC000602716111 506272638 /nfs/dbraw/zinc/27/26/38/506272638.db2.gz SXBATNPACCJIKV-GOSISDBHSA-N 1 1 357.410 3.180 20 5 FGBDMO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000467847873 501890093 /nfs/dbraw/zinc/89/00/93/501890093.db2.gz AKYPFFIKQNJDSD-SCWSEQNSSA-N 1 1 369.465 3.128 20 5 FGBDMO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000467847873 501890096 /nfs/dbraw/zinc/89/00/96/501890096.db2.gz AKYPFFIKQNJDSD-SCWSEQNSSA-N 1 1 369.465 3.128 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000485715493 501912711 /nfs/dbraw/zinc/91/27/11/501912711.db2.gz YLPYDNISHHDHNH-CYBMUJFWSA-N 1 1 369.412 3.186 20 5 FGBDMO COc1cc(C[N@@H+](C)Cc2ccccc2N2CCOCC2)ccc1[N+](=O)[O-] ZINC000485741603 501921520 /nfs/dbraw/zinc/92/15/20/501921520.db2.gz ZGFRXKTYWGDGHJ-UHFFFAOYSA-N 1 1 371.437 3.072 20 5 FGBDMO Cc1cc[nH+]c(N2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CC2)c1 ZINC000481948380 501926536 /nfs/dbraw/zinc/92/65/36/501926536.db2.gz ZJEBHNKECGQQIK-UHFFFAOYSA-N 1 1 366.377 3.007 20 5 FGBDMO Cc1ccc2c(C3=CC[N@@H+](CCn4ccc([N+](=O)[O-])n4)CC3)c[nH]c2c1 ZINC000478413670 501974058 /nfs/dbraw/zinc/97/40/58/501974058.db2.gz CRPTVHAQLBVNOB-UHFFFAOYSA-N 1 1 351.410 3.370 20 5 FGBDMO C[C@@H]1CC[C@H](C[NH+]2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)O1 ZINC000475050033 502036886 /nfs/dbraw/zinc/03/68/86/502036886.db2.gz UBUQESNQVWUYPW-TZMCWYRMSA-N 1 1 373.375 3.303 20 5 FGBDMO COc1c(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000475116941 502065981 /nfs/dbraw/zinc/06/59/81/502065981.db2.gz GQNSVWBMVAXJHT-HOCLYGCPSA-N 1 1 369.421 3.169 20 5 FGBDMO CCC[C@@H]1[C@H](C)CCC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000464743681 502079633 /nfs/dbraw/zinc/07/96/33/502079633.db2.gz ZZHVPPLHFDBLJT-TZMCWYRMSA-N 1 1 363.414 3.163 20 5 FGBDMO C[C@@H]1[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCC[N@H+]1C ZINC000475193007 502094729 /nfs/dbraw/zinc/09/47/29/502094729.db2.gz NPUANMYCMDTWOY-SKDRFNHKSA-N 1 1 360.336 3.218 20 5 FGBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)NCc2cccc([N+](=O)[O-])c2C)c1 ZINC000478963706 502131321 /nfs/dbraw/zinc/13/13/21/502131321.db2.gz PWKSLDJHKSAOII-UHFFFAOYSA-N 1 1 370.453 3.354 20 5 FGBDMO Nc1ccc(N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)nc1[N+](=O)[O-] ZINC000596180282 506295857 /nfs/dbraw/zinc/29/58/57/506295857.db2.gz RMUJATJUASCOTP-UHFFFAOYSA-N 1 1 367.453 3.065 20 5 FGBDMO CC[N@@H+](CCC1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1)CC1CC1 ZINC000596181703 506296412 /nfs/dbraw/zinc/29/64/12/506296412.db2.gz DLZMFSVTWDYZJQ-UHFFFAOYSA-N 1 1 374.485 3.032 20 5 FGBDMO CCOc1cc(N2CC[NH+](Cc3ccc(CC)o3)CC2)ccc1[N+](=O)[O-] ZINC000475506368 502195869 /nfs/dbraw/zinc/19/58/69/502195869.db2.gz FFZKIXUBBXEIMT-UHFFFAOYSA-N 1 1 359.426 3.471 20 5 FGBDMO C[C@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000596188297 506299576 /nfs/dbraw/zinc/29/95/76/506299576.db2.gz VOBDUPGKHUPSQA-HOCLYGCPSA-N 1 1 368.437 3.016 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+]([C@@H](C)C(C)C)C2CC2)cc1[N+](=O)[O-] ZINC000475571770 502216808 /nfs/dbraw/zinc/21/68/08/502216808.db2.gz NDILYQBQCACMPD-ZDUSSCGKSA-N 1 1 350.415 3.156 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000475581334 502218925 /nfs/dbraw/zinc/21/89/25/502218925.db2.gz IYDFYFHQZUBOFS-OAHLLOKOSA-N 1 1 350.415 3.157 20 5 FGBDMO Cc1cc(N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)c(F)cc1[N+](=O)[O-] ZINC000461958445 502252582 /nfs/dbraw/zinc/25/25/82/502252582.db2.gz ODLGFMPFPDLNHP-VQIMIIECSA-N 1 1 373.428 3.337 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000475707390 502259634 /nfs/dbraw/zinc/25/96/34/502259634.db2.gz SLUKSJGUGAFXFI-KGLIPLIRSA-N 1 1 350.415 3.015 20 5 FGBDMO CCC[C@H](C)[C@@H]1CCC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000486785776 502259989 /nfs/dbraw/zinc/25/99/89/502259989.db2.gz FABHVAZZMPZZRY-JSGCOSHPSA-N 1 1 363.414 3.163 20 5 FGBDMO CC(C)CC[C@H]1CCC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000486789813 502262466 /nfs/dbraw/zinc/26/24/66/502262466.db2.gz CRJHIXHFVIUZOK-CYBMUJFWSA-N 1 1 363.414 3.163 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+](C)C[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000475721928 502263254 /nfs/dbraw/zinc/26/32/54/502263254.db2.gz HWHHEGZXQVPDCH-HNNXBMFYSA-N 1 1 372.421 3.382 20 5 FGBDMO C[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1cccc(OCc2ccccn2)c1 ZINC000602798033 506303913 /nfs/dbraw/zinc/30/39/13/506303913.db2.gz FNTCKGBADHGPIF-CQSZACIVSA-N 1 1 367.409 3.153 20 5 FGBDMO COc1cc(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000479633586 502325287 /nfs/dbraw/zinc/32/52/87/502325287.db2.gz FWSICQQBTXVXAP-CYBMUJFWSA-N 1 1 363.458 3.152 20 5 FGBDMO COc1ccc(C[NH+]2CCC(c3noc(C4CC4)n3)CC2)cc1[N+](=O)[O-] ZINC000462234772 502362797 /nfs/dbraw/zinc/36/27/97/502362797.db2.gz NUATZOMYHMPHOB-UHFFFAOYSA-N 1 1 358.398 3.243 20 5 FGBDMO C[C@]1(c2ccc(F)cc2)CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000483409409 502379973 /nfs/dbraw/zinc/37/99/73/502379973.db2.gz QMBIIDDAZRKVRY-QUCCMNQESA-N 1 1 374.412 3.137 20 5 FGBDMO COCC[N@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C[C@@H]1CC=CCC1 ZINC000483489907 502409127 /nfs/dbraw/zinc/40/91/27/502409127.db2.gz YDNXVNUHZHNRGO-OAHLLOKOSA-N 1 1 364.442 3.417 20 5 FGBDMO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487388618 502432139 /nfs/dbraw/zinc/43/21/39/502432139.db2.gz MGTKMAQXLHLYSU-GOEBONIOSA-N 1 1 371.412 3.374 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000462482938 502458435 /nfs/dbraw/zinc/45/84/35/502458435.db2.gz IREWDKUJPLQACP-LJQANCHMSA-N 1 1 369.465 3.412 20 5 FGBDMO O=C1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CN1c1ccccc1Cl ZINC000480070209 502463421 /nfs/dbraw/zinc/46/34/21/502463421.db2.gz MAKBVJHGMYXOML-GFCCVEGCSA-N 1 1 363.776 3.282 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000480206301 502502534 /nfs/dbraw/zinc/50/25/34/502502534.db2.gz ZXFYBRMMXRHTEI-INIZCTEOSA-N 1 1 369.421 3.422 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000462639844 502517609 /nfs/dbraw/zinc/51/76/09/502517609.db2.gz OYVJRNRGUKDRFM-IEBWSBKVSA-N 1 1 361.486 3.400 20 5 FGBDMO C[N@@H+](CCNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000487963314 502582657 /nfs/dbraw/zinc/58/26/57/502582657.db2.gz LDTLCHHWWXKWQU-UHFFFAOYSA-N 1 1 370.453 3.261 20 5 FGBDMO O=[N+]([O-])c1ccc(CNc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)c(Cl)c1 ZINC000462853691 502600490 /nfs/dbraw/zinc/60/04/90/502600490.db2.gz IKPZEQALOCTCFJ-KRWDZBQOSA-N 1 1 361.829 3.427 20 5 FGBDMO C[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCCC[C@@H]1C ZINC000466552384 502604819 /nfs/dbraw/zinc/60/48/19/502604819.db2.gz BZJNBKZWWBLLBO-STQMWFEESA-N 1 1 368.865 3.310 20 5 FGBDMO COCC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H]1CCC[C@H]1C ZINC000488029420 502605596 /nfs/dbraw/zinc/60/55/96/502605596.db2.gz WVUWWWUQULANRZ-PBHICJAKSA-N 1 1 363.458 3.369 20 5 FGBDMO O=[N+]([O-])c1cnc(N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c(Cl)c1 ZINC000480582113 502610682 /nfs/dbraw/zinc/61/06/82/502610682.db2.gz QNQCEAUCLGFZTK-GASCZTMLSA-N 1 1 358.829 3.211 20 5 FGBDMO CNc1c(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000462924194 502628583 /nfs/dbraw/zinc/62/85/83/502628583.db2.gz IYZUNSDBMRAZRZ-GASCZTMLSA-N 1 1 362.474 3.124 20 5 FGBDMO CCC1CCC([N@@H+](CCO)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000488185472 502650859 /nfs/dbraw/zinc/65/08/59/502650859.db2.gz QJPXFNXVXCMIKY-UHFFFAOYSA-N 1 1 363.458 3.105 20 5 FGBDMO COc1ccc([C@@H](C)[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000484544917 502666712 /nfs/dbraw/zinc/66/67/12/502666712.db2.gz QKUUFTXUZULAAB-CYBMUJFWSA-N 1 1 373.409 3.244 20 5 FGBDMO COc1ccc([C@@H](C)[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000484544917 502666718 /nfs/dbraw/zinc/66/67/18/502666718.db2.gz QKUUFTXUZULAAB-CYBMUJFWSA-N 1 1 373.409 3.244 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000463032180 502667656 /nfs/dbraw/zinc/66/76/56/502667656.db2.gz XQHBCXXBOFYKPI-FQEVSTJZSA-N 1 1 356.422 3.130 20 5 FGBDMO O=C(CC[N@H+]1CCC[C@@H](c2cccnc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000602852125 506327786 /nfs/dbraw/zinc/32/77/86/506327786.db2.gz CMMLFHYCHPDGDF-MRXNPFEDSA-N 1 1 354.410 3.198 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000470171046 502692574 /nfs/dbraw/zinc/69/25/74/502692574.db2.gz DTWFVTTYMCKLHM-TVADFSRQSA-N 1 1 372.513 3.100 20 5 FGBDMO CC[N@@H+](CCc1ccccc1)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000488527671 502742194 /nfs/dbraw/zinc/74/21/94/502742194.db2.gz KLMRJWIYAJCTAX-HNNXBMFYSA-N 1 1 371.437 3.495 20 5 FGBDMO CC[N@@H+](CCc1ccccc1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000488542287 502745329 /nfs/dbraw/zinc/74/53/29/502745329.db2.gz WOURNOAESJESKB-LJQANCHMSA-N 1 1 353.422 3.265 20 5 FGBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cc(Cl)cc4c3OCC4)CC2)n1 ZINC000488719620 502789453 /nfs/dbraw/zinc/78/94/53/502789453.db2.gz XHVWLMISJUCHOT-UHFFFAOYSA-N 1 1 362.817 3.217 20 5 FGBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@@H](C)C1 ZINC000488745502 502801334 /nfs/dbraw/zinc/80/13/34/502801334.db2.gz BHJPCVXZATWURR-LALPHHSUSA-N 1 1 355.385 3.363 20 5 FGBDMO COc1ccc(C[N@@H+]2CC[C@@H]2CNc2ccc([N+](=O)[O-])c(N)c2F)cc1 ZINC000599138346 506339078 /nfs/dbraw/zinc/33/90/78/506339078.db2.gz ABCOQJRKFLQLNS-CYBMUJFWSA-N 1 1 360.389 3.011 20 5 FGBDMO COc1ccc(C[N@H+]2CC[C@@H]2CNc2ccc([N+](=O)[O-])c(N)c2F)cc1 ZINC000599138346 506339082 /nfs/dbraw/zinc/33/90/82/506339082.db2.gz ABCOQJRKFLQLNS-CYBMUJFWSA-N 1 1 360.389 3.011 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](Cc1ccccn1)c1cccnc1 ZINC000513363504 502915161 /nfs/dbraw/zinc/91/51/61/502915161.db2.gz BULKNSPNPBKADI-IBGZPJMESA-N 1 1 364.405 3.467 20 5 FGBDMO Cc1ccc([C@@H](C)NC(=O)NCC[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000489317150 502927006 /nfs/dbraw/zinc/92/70/06/502927006.db2.gz GMZCLLKXHULKBY-MRXNPFEDSA-N 1 1 370.453 3.395 20 5 FGBDMO CC(C)(NC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000489373466 502940985 /nfs/dbraw/zinc/94/09/85/502940985.db2.gz MXGRWADGHSKORU-MRXNPFEDSA-N 1 1 374.485 3.394 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](C)c2cc(OC)ccc2OC)c1 ZINC000593021808 506343342 /nfs/dbraw/zinc/34/33/42/506343342.db2.gz WZMHUGBAHOMMLA-LBPRGKRZSA-N 1 1 374.393 3.249 20 5 FGBDMO C[N@H+]1C[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@@H](c2ccccc2)C1 ZINC000497411351 502952370 /nfs/dbraw/zinc/95/23/70/502952370.db2.gz OMRHNUWFIAAZJO-SJORKVTESA-N 1 1 365.389 3.169 20 5 FGBDMO CC[C@H](NC(=O)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000489449334 502961564 /nfs/dbraw/zinc/96/15/64/502961564.db2.gz NXPFVWUJOQQTAH-LVFSCSRESA-N 1 1 374.485 3.418 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000505804897 502990019 /nfs/dbraw/zinc/99/00/19/502990019.db2.gz IMIRGGNWVPKXDH-KBPBESRZSA-N 1 1 363.483 3.454 20 5 FGBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000588821086 506346355 /nfs/dbraw/zinc/34/63/55/506346355.db2.gz QZMUBEXTPXRKAH-OAHLLOKOSA-N 1 1 357.458 3.220 20 5 FGBDMO Cc1ccccc1C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccn1 ZINC000593030959 506348026 /nfs/dbraw/zinc/34/80/26/506348026.db2.gz UADSNAMFEYISSW-UHFFFAOYSA-N 1 1 351.410 3.197 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000506193512 503066854 /nfs/dbraw/zinc/06/68/54/503066854.db2.gz UUZTUISJAHGDFS-LBPRGKRZSA-N 1 1 351.472 3.309 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000596308771 506350428 /nfs/dbraw/zinc/35/04/28/506350428.db2.gz UIZLLVOMOFYHRA-HNNXBMFYSA-N 1 1 360.458 3.116 20 5 FGBDMO C[NH+](C)CCn1ccc2ccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)cc21 ZINC000506468793 503120331 /nfs/dbraw/zinc/12/03/31/503120331.db2.gz FPIPBYPIQGOCGM-UHFFFAOYSA-N 1 1 368.393 3.069 20 5 FGBDMO Cn1ccc(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 ZINC000506775158 503170122 /nfs/dbraw/zinc/17/01/22/503170122.db2.gz JRLJIUVRMYLXKX-UHFFFAOYSA-N 1 1 368.359 3.274 20 5 FGBDMO C[C@@H]1CCc2ccccc2N1C(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511062491 503244685 /nfs/dbraw/zinc/24/46/85/503244685.db2.gz DIJFNFIVPXUORM-MRXNPFEDSA-N 1 1 367.449 3.437 20 5 FGBDMO C[C@@H]1CCc2ccccc2N1C(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511062491 503244688 /nfs/dbraw/zinc/24/46/88/503244688.db2.gz DIJFNFIVPXUORM-MRXNPFEDSA-N 1 1 367.449 3.437 20 5 FGBDMO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511071441 503246408 /nfs/dbraw/zinc/24/64/08/503246408.db2.gz FFUVBTWQTLKICW-HNNXBMFYSA-N 1 1 373.428 3.428 20 5 FGBDMO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511071441 503246412 /nfs/dbraw/zinc/24/64/12/503246412.db2.gz FFUVBTWQTLKICW-HNNXBMFYSA-N 1 1 373.428 3.428 20 5 FGBDMO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511075582 503248109 /nfs/dbraw/zinc/24/81/09/503248109.db2.gz RWBMCTROBMIDNL-CBZIJGRNSA-N 1 1 361.486 3.399 20 5 FGBDMO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511075582 503248111 /nfs/dbraw/zinc/24/81/11/503248111.db2.gz RWBMCTROBMIDNL-CBZIJGRNSA-N 1 1 361.486 3.399 20 5 FGBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)NCc1cccc(Cl)c1 ZINC000511082574 503249752 /nfs/dbraw/zinc/24/97/52/503249752.db2.gz SNWVOCIYVOQOAR-UHFFFAOYSA-N 1 1 361.829 3.039 20 5 FGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)NCc1cccc(Cl)c1 ZINC000511082574 503249755 /nfs/dbraw/zinc/24/97/55/503249755.db2.gz SNWVOCIYVOQOAR-UHFFFAOYSA-N 1 1 361.829 3.039 20 5 FGBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000511096431 503253221 /nfs/dbraw/zinc/25/32/21/503253221.db2.gz ORTBQZHZZLOIGE-OAQYLSRUSA-N 1 1 367.449 3.337 20 5 FGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000511096431 503253222 /nfs/dbraw/zinc/25/32/22/503253222.db2.gz ORTBQZHZZLOIGE-OAQYLSRUSA-N 1 1 367.449 3.337 20 5 FGBDMO C[C@@H](NC(=O)[C@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000511139753 503267397 /nfs/dbraw/zinc/26/73/97/503267397.db2.gz IHRKYGVQGWXUPQ-CABCVRRESA-N 1 1 373.428 3.474 20 5 FGBDMO C[C@@H](NC(=O)[C@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000511139753 503267401 /nfs/dbraw/zinc/26/74/01/503267401.db2.gz IHRKYGVQGWXUPQ-CABCVRRESA-N 1 1 373.428 3.474 20 5 FGBDMO Cc1ccccc1[C@@]1(F)CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000502907872 503306106 /nfs/dbraw/zinc/30/61/06/503306106.db2.gz VBKYASCJWSAYGP-FXAWDEMLSA-N 1 1 374.412 3.214 20 5 FGBDMO Cc1ccccc1[C@@]1(F)CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000502907872 503306109 /nfs/dbraw/zinc/30/61/09/503306109.db2.gz VBKYASCJWSAYGP-FXAWDEMLSA-N 1 1 374.412 3.214 20 5 FGBDMO Cc1ncc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000602956838 506366080 /nfs/dbraw/zinc/36/60/80/506366080.db2.gz OEEPZOBGYBJSIG-QMMMGPOBSA-N 1 1 354.819 3.302 20 5 FGBDMO C[N@@H+](CCCNC(=O)CSc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000503118691 503350724 /nfs/dbraw/zinc/35/07/24/503350724.db2.gz LKQUXXCMWHPBLD-UHFFFAOYSA-N 1 1 373.478 3.325 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000511645614 503360927 /nfs/dbraw/zinc/36/09/27/503360927.db2.gz SGKQREDULVMLQY-UHFFFAOYSA-N 1 1 369.421 3.030 20 5 FGBDMO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000503220371 503370725 /nfs/dbraw/zinc/37/07/25/503370725.db2.gz UFVBUWJOVNVJLP-INIZCTEOSA-N 1 1 371.437 3.125 20 5 FGBDMO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000503220371 503370727 /nfs/dbraw/zinc/37/07/27/503370727.db2.gz UFVBUWJOVNVJLP-INIZCTEOSA-N 1 1 371.437 3.125 20 5 FGBDMO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)c2ccc(Br)cc2)cs1 ZINC000503247759 503376760 /nfs/dbraw/zinc/37/67/60/503376760.db2.gz TZFOXYVDHUVBNG-LBPRGKRZSA-N 1 1 357.229 3.242 20 5 FGBDMO C[C@](CO)([NH2+]Cc1cccnc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000602962110 506368024 /nfs/dbraw/zinc/36/80/24/506368024.db2.gz GZLBPRXJMBQOQO-OAHLLOKOSA-N 1 1 355.316 3.006 20 5 FGBDMO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000593062030 506368275 /nfs/dbraw/zinc/36/82/75/506368275.db2.gz MRMRPDRXIZMWEJ-GOSISDBHSA-N 1 1 371.412 3.057 20 5 FGBDMO C[C@@H]1C[N@@H+](CCCNc2ccc([N+](=O)[O-])cc2Br)CCCO1 ZINC000503586203 503442008 /nfs/dbraw/zinc/44/20/08/503442008.db2.gz IWLGOGWYGSXVCK-GFCCVEGCSA-N 1 1 372.263 3.270 20 5 FGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000508312029 503472856 /nfs/dbraw/zinc/47/28/56/503472856.db2.gz AORJSBZNUGCLEA-QLFBSQMISA-N 1 1 365.499 3.312 20 5 FGBDMO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000494010659 503474280 /nfs/dbraw/zinc/47/42/80/503474280.db2.gz GCANNJFTBYDYCJ-BWZSVYRMSA-N 1 1 365.433 3.283 20 5 FGBDMO Cc1c(NC(=O)CC[N@@H+]2CCCCC[C@H]2C[C@H](C)O)cccc1[N+](=O)[O-] ZINC000512427469 503546894 /nfs/dbraw/zinc/54/68/94/503546894.db2.gz LZAKHTBEBLSTCL-HOCLYGCPSA-N 1 1 363.458 3.247 20 5 FGBDMO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000512468147 503562252 /nfs/dbraw/zinc/56/22/52/503562252.db2.gz IFWBHBQTIFBLDI-STQMWFEESA-N 1 1 369.849 3.202 20 5 FGBDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000512468147 503562256 /nfs/dbraw/zinc/56/22/56/503562256.db2.gz IFWBHBQTIFBLDI-STQMWFEESA-N 1 1 369.849 3.202 20 5 FGBDMO CN(C)c1cc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc[nH+]1 ZINC000500430093 503622697 /nfs/dbraw/zinc/62/26/97/503622697.db2.gz WYLFGPVTWLOIJR-UHFFFAOYSA-N 1 1 365.187 3.071 20 5 FGBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000495087401 503664488 /nfs/dbraw/zinc/66/44/88/503664488.db2.gz WFDWNRALXXARKH-ZDUSSCGKSA-N 1 1 351.472 3.119 20 5 FGBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000495087401 503664494 /nfs/dbraw/zinc/66/44/94/503664494.db2.gz WFDWNRALXXARKH-ZDUSSCGKSA-N 1 1 351.472 3.119 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000536689118 503681601 /nfs/dbraw/zinc/68/16/01/503681601.db2.gz GMPHNLZMAWJCIL-UHFFFAOYSA-N 1 1 355.438 3.382 20 5 FGBDMO Cc1ccc([C@H]2CC[N@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)cc1 ZINC000543247967 503697617 /nfs/dbraw/zinc/69/76/17/503697617.db2.gz KTJNSWBDIDZOCK-PXNSSMCTSA-N 1 1 365.433 3.498 20 5 FGBDMO Cc1cc(C)cc([C@@H]2CC[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)c1 ZINC000543246754 503697911 /nfs/dbraw/zinc/69/79/11/503697911.db2.gz ONDSULLHGRVRSB-MJGOQNOKSA-N 1 1 370.449 3.441 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@](O)(CC)C2)cc1OC ZINC000495204130 503698841 /nfs/dbraw/zinc/69/88/41/503698841.db2.gz UMAMPBLIEQUOHL-LIRRHRJNSA-N 1 1 366.458 3.375 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000546614700 503809087 /nfs/dbraw/zinc/80/90/87/503809087.db2.gz BTMOYPWPZSOUCF-QGZVFWFLSA-N 1 1 361.486 3.496 20 5 FGBDMO CCCCn1cc(C[NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])c(C)n1 ZINC000540652074 503845735 /nfs/dbraw/zinc/84/57/35/503845735.db2.gz NIWYBOBJGJDOAQ-UHFFFAOYSA-N 1 1 362.430 3.207 20 5 FGBDMO CNc1ccc(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000543751534 503879741 /nfs/dbraw/zinc/87/97/41/503879741.db2.gz QNMWHAOSPHLPDV-UKRRQHHQSA-N 1 1 360.458 3.019 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](CO)C2)cc1OC ZINC000543843479 503911864 /nfs/dbraw/zinc/91/18/64/503911864.db2.gz RPBJJEOKAIXMGN-GJZGRUSLSA-N 1 1 366.458 3.233 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](CO)C2)cc1OC ZINC000543843479 503911870 /nfs/dbraw/zinc/91/18/70/503911870.db2.gz RPBJJEOKAIXMGN-GJZGRUSLSA-N 1 1 366.458 3.233 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+]3CCOCC4(CC4)C3)o2)c([N+](=O)[O-])c1 ZINC000544031117 503979459 /nfs/dbraw/zinc/97/94/59/503979459.db2.gz YLYYLRDBTDCDRU-UHFFFAOYSA-N 1 1 358.394 3.476 20 5 FGBDMO Cc1cccc([C@H]2CC[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000544187274 504039335 /nfs/dbraw/zinc/03/93/35/504039335.db2.gz NVWUOTGVVGCLTA-PKOBYXMFSA-N 1 1 356.422 3.132 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](c2ccc(C)cc2)C1 ZINC000544191695 504042273 /nfs/dbraw/zinc/04/22/73/504042273.db2.gz PWNLZKQIWGLKRY-MRXNPFEDSA-N 1 1 369.421 3.340 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](c2ccc(C)cc2)C1 ZINC000544191695 504042279 /nfs/dbraw/zinc/04/22/79/504042279.db2.gz PWNLZKQIWGLKRY-MRXNPFEDSA-N 1 1 369.421 3.340 20 5 FGBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000518935529 504097782 /nfs/dbraw/zinc/09/77/82/504097782.db2.gz KWQGLFZEWCGKAT-CYBMUJFWSA-N 1 1 351.422 3.364 20 5 FGBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]2c2ccc(Br)s2)n1 ZINC000541392737 504115229 /nfs/dbraw/zinc/11/52/29/504115229.db2.gz KFDOTCLYCCCXDZ-JTQLQIEISA-N 1 1 371.260 3.452 20 5 FGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]2c2ccc(Br)s2)n1 ZINC000541392737 504115235 /nfs/dbraw/zinc/11/52/35/504115235.db2.gz KFDOTCLYCCCXDZ-JTQLQIEISA-N 1 1 371.260 3.452 20 5 FGBDMO Cc1cnc([C@@H]([NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C2CC2)s1 ZINC000544421419 504127820 /nfs/dbraw/zinc/12/78/20/504127820.db2.gz NAJKNHNAPHZAIT-INIZCTEOSA-N 1 1 360.439 3.348 20 5 FGBDMO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[NH+](CCc2ccccc2)CC1 ZINC000544621171 504193848 /nfs/dbraw/zinc/19/38/48/504193848.db2.gz VGCULRCWJLFEMQ-UHFFFAOYSA-N 1 1 372.400 3.126 20 5 FGBDMO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1noc(Cc2ccccc2)n1 ZINC000541692276 504224168 /nfs/dbraw/zinc/22/41/68/504224168.db2.gz UFAWKRXHJRAJHZ-AWEZNQCLSA-N 1 1 352.394 3.462 20 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CC(=O)NC1CCC([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000542247782 504422099 /nfs/dbraw/zinc/42/20/99/504422099.db2.gz LCJMTTAQNDIGNN-UHFFFAOYSA-N 1 1 363.458 3.261 20 5 FGBDMO COc1ccc(-c2ccc(C[NH2+][C@H]3CCc4cn[nH]c4C3)o2)c([N+](=O)[O-])c1 ZINC000532074726 504526771 /nfs/dbraw/zinc/52/67/71/504526771.db2.gz DMFSTVHPCDVKDE-ZDUSSCGKSA-N 1 1 368.393 3.234 20 5 FGBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000545857491 504617252 /nfs/dbraw/zinc/61/72/52/504617252.db2.gz WLYWNXCYWRHNDO-OKILXGFUSA-N 1 1 365.449 3.391 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000548971874 504640639 /nfs/dbraw/zinc/64/06/39/504640639.db2.gz XDDJHTFUYOZUQN-GASCZTMLSA-N 1 1 363.458 3.091 20 5 FGBDMO CC(C)[N@@H+](C)CC1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000532538200 504687305 /nfs/dbraw/zinc/68/73/05/504687305.db2.gz MCJZQDAULZYCBG-UHFFFAOYSA-N 1 1 373.457 3.197 20 5 FGBDMO CCN(Cc1ccccc1)C(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000549172656 504712083 /nfs/dbraw/zinc/71/20/83/504712083.db2.gz NGUNQDHICGIAFO-UHFFFAOYSA-N 1 1 355.438 3.118 20 5 FGBDMO CCN(Cc1ccccc1)C(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000549172656 504712091 /nfs/dbraw/zinc/71/20/91/504712091.db2.gz NGUNQDHICGIAFO-UHFFFAOYSA-N 1 1 355.438 3.118 20 5 FGBDMO C[N@H+](Cc1ccc(Cl)c(F)c1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000536486656 504746029 /nfs/dbraw/zinc/74/60/29/504746029.db2.gz YLLUKFUCPPHRJH-AWEZNQCLSA-N 1 1 368.792 3.259 20 5 FGBDMO COc1cc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cc(OC)c1OC ZINC000549408719 504813635 /nfs/dbraw/zinc/81/36/35/504813635.db2.gz PZBBAPZLLVMLKP-UHFFFAOYSA-N 1 1 360.410 3.295 20 5 FGBDMO C[C@@H]1CN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000549598995 504856342 /nfs/dbraw/zinc/85/63/42/504856342.db2.gz WJUALJQVGMMBEK-GASCZTMLSA-N 1 1 353.422 3.355 20 5 FGBDMO C[C@@H]1CN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000549598995 504856343 /nfs/dbraw/zinc/85/63/43/504856343.db2.gz WJUALJQVGMMBEK-GASCZTMLSA-N 1 1 353.422 3.355 20 5 FGBDMO CC1(C)C[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@H]2CCC[C@H]21 ZINC000559432750 504862878 /nfs/dbraw/zinc/86/28/78/504862878.db2.gz VYFYAMPFKMCJRO-CABCVRRESA-N 1 1 359.426 3.403 20 5 FGBDMO O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000549920944 504934989 /nfs/dbraw/zinc/93/49/89/504934989.db2.gz BFJVOCSXDRLLNT-HNNXBMFYSA-N 1 1 352.394 3.315 20 5 FGBDMO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000565632061 504943092 /nfs/dbraw/zinc/94/30/92/504943092.db2.gz SCTKXAMYHLGOQH-QGZVFWFLSA-N 1 1 368.437 3.022 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000565754119 504977751 /nfs/dbraw/zinc/97/77/51/504977751.db2.gz VZFYDHIBEYJWLO-INIZCTEOSA-N 1 1 354.410 3.116 20 5 FGBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SCC ZINC000553691846 504984217 /nfs/dbraw/zinc/98/42/17/504984217.db2.gz GJEKNJVZBGDJSH-AWEZNQCLSA-N 1 1 351.472 3.311 20 5 FGBDMO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000553830917 505021637 /nfs/dbraw/zinc/02/16/37/505021637.db2.gz DGQINBYLXAFVRI-SFHVURJKSA-N 1 1 369.421 3.212 20 5 FGBDMO CCc1ccc(C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000560249694 505029749 /nfs/dbraw/zinc/02/97/49/505029749.db2.gz LRJHATQALWOBIA-IBGZPJMESA-N 1 1 367.449 3.156 20 5 FGBDMO CCc1ccc(C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000560249694 505029752 /nfs/dbraw/zinc/02/97/52/505029752.db2.gz LRJHATQALWOBIA-IBGZPJMESA-N 1 1 367.449 3.156 20 5 FGBDMO C[C@@H]1C[N@H+](CCC2CCN(c3c(F)cccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000557603856 505179902 /nfs/dbraw/zinc/17/99/02/505179902.db2.gz CLDZZKRFFOJSPU-GASCZTMLSA-N 1 1 365.449 3.450 20 5 FGBDMO C[C@H]1CCC[N@@H+](CCNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC000563635202 505197829 /nfs/dbraw/zinc/19/78/29/505197829.db2.gz IHUMKADCKNBDRZ-HNNXBMFYSA-N 1 1 368.437 3.119 20 5 FGBDMO CC(C)(C)OC(=O)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000564080595 505320559 /nfs/dbraw/zinc/32/05/59/505320559.db2.gz LOGPEQVXRBMEGR-UHFFFAOYSA-N 1 1 364.442 3.308 20 5 FGBDMO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000561373954 505329500 /nfs/dbraw/zinc/32/95/00/505329500.db2.gz FJSCPBKQGWZWDR-QGZVFWFLSA-N 1 1 357.458 3.442 20 5 FGBDMO C[C@H]1CN(c2ccccc2C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCO1 ZINC000567465273 505472644 /nfs/dbraw/zinc/47/26/44/505472644.db2.gz BVPGXMUWUBWHLU-INIZCTEOSA-N 1 1 367.449 3.378 20 5 FGBDMO C[C@H]1CN(c2ccccc2C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCO1 ZINC000567465273 505472648 /nfs/dbraw/zinc/47/26/48/505472648.db2.gz BVPGXMUWUBWHLU-INIZCTEOSA-N 1 1 367.449 3.378 20 5 FGBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000567539862 505492677 /nfs/dbraw/zinc/49/26/77/505492677.db2.gz UKNVBFASRRDDBQ-OAHLLOKOSA-N 1 1 357.458 3.220 20 5 FGBDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000596466415 506419489 /nfs/dbraw/zinc/41/94/89/506419489.db2.gz ATSDHEMTLRDTQP-OAHLLOKOSA-N 1 1 360.845 3.396 20 5 FGBDMO CC(C)C[N@@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000593204409 506462126 /nfs/dbraw/zinc/46/21/26/506462126.db2.gz PEMQUDPFDGYKLP-UHFFFAOYSA-N 1 1 372.263 3.065 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC2(CCOCC2)CC[C@@H]1CO ZINC000599543145 506491607 /nfs/dbraw/zinc/49/16/07/506491607.db2.gz MMERCGJKUCNBIB-OAHLLOKOSA-N 1 1 354.834 3.002 20 5 FGBDMO C[C@@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2sccc2C1 ZINC000582938824 506498720 /nfs/dbraw/zinc/49/87/20/506498720.db2.gz RVCDOFUGPQYQMT-KBPBESRZSA-N 1 1 373.478 3.323 20 5 FGBDMO C[C@@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2sccc2C1 ZINC000582938824 506498728 /nfs/dbraw/zinc/49/87/28/506498728.db2.gz RVCDOFUGPQYQMT-KBPBESRZSA-N 1 1 373.478 3.323 20 5 FGBDMO C[C@@H](C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000582938826 506499076 /nfs/dbraw/zinc/49/90/76/506499076.db2.gz RVCDOFUGPQYQMT-UONOGXRCSA-N 1 1 373.478 3.323 20 5 FGBDMO C[C@@H](C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000582938826 506499081 /nfs/dbraw/zinc/49/90/81/506499081.db2.gz RVCDOFUGPQYQMT-UONOGXRCSA-N 1 1 373.478 3.323 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000589272799 506503791 /nfs/dbraw/zinc/50/37/91/506503791.db2.gz YWVHDKFTWFBHRM-AEFFLSMTSA-N 1 1 361.442 3.121 20 5 FGBDMO O=C(C[NH+](C1CC1)C1CC1)Nc1cc(N(C2CC2)C2CC2)ccc1[N+](=O)[O-] ZINC000599600934 506524949 /nfs/dbraw/zinc/52/49/49/506524949.db2.gz YHMKBULNZYQNQQ-UHFFFAOYSA-N 1 1 370.453 3.291 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+][C@H]1CNc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000593319259 506535642 /nfs/dbraw/zinc/53/56/42/506535642.db2.gz KLFREQUPEBVVKF-VQIMIIECSA-N 1 1 363.421 3.044 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)c1 ZINC000589496928 506567690 /nfs/dbraw/zinc/56/76/90/506567690.db2.gz ZAJNQWKIWXYUQJ-QGZVFWFLSA-N 1 1 356.378 3.424 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H]2c2ccc(O)cc2)c1 ZINC000589496928 506567702 /nfs/dbraw/zinc/56/77/02/506567702.db2.gz ZAJNQWKIWXYUQJ-QGZVFWFLSA-N 1 1 356.378 3.424 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](c3ccccc3OC)C2)c1 ZINC000589501930 506570734 /nfs/dbraw/zinc/57/07/34/506570734.db2.gz KKYQKTGLBUFAAN-OAHLLOKOSA-N 1 1 370.405 3.380 20 5 FGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000612438576 506580928 /nfs/dbraw/zinc/58/09/28/506580928.db2.gz AGWYKMFEZGVIRJ-ZNMIVQPWSA-N 1 1 355.442 3.380 20 5 FGBDMO C[N@@H+](CCCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])C1CCCCC1 ZINC000593401273 506599849 /nfs/dbraw/zinc/59/98/49/506599849.db2.gz ZNBUGAIDOUXUOZ-UHFFFAOYSA-N 1 1 351.422 3.047 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593495326 506652352 /nfs/dbraw/zinc/65/23/52/506652352.db2.gz XLXFQPYIRKYHAO-GOSISDBHSA-N 1 1 371.412 3.009 20 5 FGBDMO Cc1cc(N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000593495767 506653703 /nfs/dbraw/zinc/65/37/03/506653703.db2.gz IIZAHVSVVFSHNV-LEWJYISDSA-N 1 1 367.449 3.383 20 5 FGBDMO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000604044133 506696268 /nfs/dbraw/zinc/69/62/68/506696268.db2.gz XKZQUPSIDDZHOO-OAHLLOKOSA-N 1 1 362.817 3.143 20 5 FGBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2nc[nH]c2C1 ZINC000599952822 506725574 /nfs/dbraw/zinc/72/55/74/506725574.db2.gz RXHLMOUXOWGUTA-UHFFFAOYSA-N 1 1 360.439 3.409 20 5 FGBDMO C[C@H]1[C@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000593708313 506744001 /nfs/dbraw/zinc/74/40/01/506744001.db2.gz SNLDEDOTKGQALN-KBXCAEBGSA-N 1 1 371.412 3.056 20 5 FGBDMO Cc1ccc(NC(=O)c2ccc(N3CCC[N@H+](C)CC3)c([N+](=O)[O-])c2)cc1 ZINC000608971659 506753771 /nfs/dbraw/zinc/75/37/71/506753771.db2.gz NUJUQEWUPXQKIF-UHFFFAOYSA-N 1 1 368.437 3.297 20 5 FGBDMO COc1cc(CNC[C@@H](C)[NH+](C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000609223358 506818186 /nfs/dbraw/zinc/81/81/86/506818186.db2.gz JYQOTRDNXZQHHB-OAHLLOKOSA-N 1 1 373.453 3.222 20 5 FGBDMO COc1ccc(CNC[C@@H](C)[NH+](C)C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000609223477 506819260 /nfs/dbraw/zinc/81/92/60/506819260.db2.gz WZPIOXJJRFSVIQ-OAHLLOKOSA-N 1 1 373.453 3.222 20 5 FGBDMO CO[C@]1(CO)CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000597186434 506822485 /nfs/dbraw/zinc/82/24/85/506822485.db2.gz DNQRKQQFSWKHRY-GOSISDBHSA-N 1 1 362.451 3.297 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+]3C[C@H]4COC[C@@]4(C)C3)o2)c([N+](=O)[O-])c1 ZINC000597210502 506837056 /nfs/dbraw/zinc/83/70/56/506837056.db2.gz HOMZLJGXRGTOQN-ORAYPTAESA-N 1 1 358.394 3.332 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)ccc1Oc1ccc(F)cc1 ZINC000597212674 506838749 /nfs/dbraw/zinc/83/87/49/506838749.db2.gz XJMAWNLGLCJXFR-IFXJQAMLSA-N 1 1 358.369 3.483 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)ccc1Oc1ccc(F)cc1 ZINC000597212674 506838756 /nfs/dbraw/zinc/83/87/56/506838756.db2.gz XJMAWNLGLCJXFR-IFXJQAMLSA-N 1 1 358.369 3.483 20 5 FGBDMO COc1cc(C[NH2+][C@H](c2ccccc2)[C@H](O)C(C)C)c([N+](=O)[O-])cc1OC ZINC000597222922 506844045 /nfs/dbraw/zinc/84/40/45/506844045.db2.gz POQLZANSKVTSKL-WOJBJXKFSA-N 1 1 374.437 3.460 20 5 FGBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000600230060 506862407 /nfs/dbraw/zinc/86/24/07/506862407.db2.gz PKXFNWHLTIAEMS-HNNXBMFYSA-N 1 1 368.437 3.280 20 5 FGBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C1(CO)CCOCC1 ZINC000597252225 506862458 /nfs/dbraw/zinc/86/24/58/506862458.db2.gz PKVPZNWRUJRZEI-UHFFFAOYSA-N 1 1 362.451 3.297 20 5 FGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000590602804 506876393 /nfs/dbraw/zinc/87/63/93/506876393.db2.gz XSROIQSGUIVADK-HUUCEWRRSA-N 1 1 354.410 3.196 20 5 FGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000590602804 506876395 /nfs/dbraw/zinc/87/63/95/506876395.db2.gz XSROIQSGUIVADK-HUUCEWRRSA-N 1 1 354.410 3.196 20 5 FGBDMO O=C1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C2(CCC2)C1 ZINC000594012296 506881710 /nfs/dbraw/zinc/88/17/10/506881710.db2.gz GTPJUVIQAGTOTD-UHFFFAOYSA-N 1 1 355.394 3.380 20 5 FGBDMO O=C1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C2(CCC2)C1 ZINC000594012296 506881716 /nfs/dbraw/zinc/88/17/16/506881716.db2.gz GTPJUVIQAGTOTD-UHFFFAOYSA-N 1 1 355.394 3.380 20 5 FGBDMO CSc1ccc(C(=O)Nc2c[nH+]ccc2-n2cccn2)cc1[N+](=O)[O-] ZINC000609506170 506902669 /nfs/dbraw/zinc/90/26/69/506902669.db2.gz UATLOHLTOURXFA-UHFFFAOYSA-N 1 1 355.379 3.150 20 5 FGBDMO Cc1ccnc([C@H]2CC[N@@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000583820666 506993227 /nfs/dbraw/zinc/99/32/27/506993227.db2.gz LTQAILTZYRMVOT-INIZCTEOSA-N 1 1 368.437 3.425 20 5 FGBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000594195222 506999162 /nfs/dbraw/zinc/99/91/62/506999162.db2.gz DPHADWAZXNMVFW-CABCVRRESA-N 1 1 371.359 3.360 20 5 FGBDMO CC(C)Oc1cc(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000594194909 506999487 /nfs/dbraw/zinc/99/94/87/506999487.db2.gz AJMYIUSRPYIILZ-JKSUJKDBSA-N 1 1 361.442 3.129 20 5 FGBDMO Cn1cc(C[NH+]2CC(CC(F)(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000590969241 507066160 /nfs/dbraw/zinc/06/61/60/507066160.db2.gz ZNFKJTJJPBFCOE-UHFFFAOYSA-N 1 1 354.332 3.380 20 5 FGBDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])C2 ZINC000597711961 507069625 /nfs/dbraw/zinc/06/96/25/507069625.db2.gz ZEOZWLRCTHQTMC-MRXNPFEDSA-N 1 1 371.359 3.172 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c(F)c1 ZINC000610116519 507105756 /nfs/dbraw/zinc/10/57/56/507105756.db2.gz MCDADZQFOCLXBF-QAPCUYQASA-N 1 1 359.401 3.029 20 5 FGBDMO CC[C@@H](c1ccc(-c2cc([N+](=O)[O-])ccc2CCO)cc1)[NH+]1CCNCC1 ZINC000600791812 507124535 /nfs/dbraw/zinc/12/45/35/507124535.db2.gz HXUXXIIRJRHKHA-NRFANRHFSA-N 1 1 369.465 3.153 20 5 FGBDMO C[C@@H](Cc1ccccn1)[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000594514201 507164466 /nfs/dbraw/zinc/16/44/66/507164466.db2.gz HXKRLBQWTPAWOD-KBXCAEBGSA-N 1 1 351.410 3.034 20 5 FGBDMO CCN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CC[N@@H+](CC)C1 ZINC000598043848 507230310 /nfs/dbraw/zinc/23/03/10/507230310.db2.gz WPGPOETUKQIICR-OAHLLOKOSA-N 1 1 374.466 3.275 20 5 FGBDMO CCN(C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](CC)C1 ZINC000598043229 507230806 /nfs/dbraw/zinc/23/08/06/507230806.db2.gz SDIYMFCOMATMAC-DZGCQCFKSA-N 1 1 351.472 3.018 20 5 FGBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000610446100 507243292 /nfs/dbraw/zinc/24/32/92/507243292.db2.gz QMWDAMOELCDYFH-OAHLLOKOSA-N 1 1 371.412 3.471 20 5 FGBDMO Cc1[nH+]ccn1-c1ccccc1CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000584363419 507304509 /nfs/dbraw/zinc/30/45/09/507304509.db2.gz ITHKXGNRLPSYNN-UHFFFAOYSA-N 1 1 360.377 3.066 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cncc(Br)c1C ZINC000594923175 507315105 /nfs/dbraw/zinc/31/51/05/507315105.db2.gz XJEWOOQVGGBSEL-UHFFFAOYSA-N 1 1 366.215 3.359 20 5 FGBDMO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000598219001 507322786 /nfs/dbraw/zinc/32/27/86/507322786.db2.gz KLLJARIURUETBZ-AWEZNQCLSA-N 1 1 357.410 3.478 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCN(c2ccccc2F)C1=O ZINC000595020024 507357251 /nfs/dbraw/zinc/35/72/51/507357251.db2.gz UJIFOQIAXIEDPV-LRDDRELGSA-N 1 1 373.384 3.199 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]CC[C@]1(C)CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000595081666 507382324 /nfs/dbraw/zinc/38/23/24/507382324.db2.gz UFVJUTAAEXSAHP-GDBMZVCRSA-N 1 1 350.369 3.443 20 5 FGBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000595081619 507382673 /nfs/dbraw/zinc/38/26/73/507382673.db2.gz SZFVXNPKFLZCSA-NVXWUHKLSA-N 1 1 374.485 3.309 20 5 FGBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000595081619 507382676 /nfs/dbraw/zinc/38/26/76/507382676.db2.gz SZFVXNPKFLZCSA-NVXWUHKLSA-N 1 1 374.485 3.309 20 5 FGBDMO COc1cc2c(c(OC)c1OC)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000610899328 507436703 /nfs/dbraw/zinc/43/67/03/507436703.db2.gz JVVFDFAMOFZRPH-UHFFFAOYSA-N 1 1 372.421 3.221 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[N@H+](CCc1cscn1)[C@H]1CC[C@H](O)CC1 ZINC000592132222 507498588 /nfs/dbraw/zinc/49/85/88/507498588.db2.gz CQKCHGQVXINZOC-QAQDUYKDSA-N 1 1 361.467 3.400 20 5 FGBDMO Cc1ccc(C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC2CC2)cn1 ZINC000592146392 507510078 /nfs/dbraw/zinc/51/00/78/507510078.db2.gz OAOJIZQVZRYQJF-UHFFFAOYSA-N 1 1 368.437 3.457 20 5 FGBDMO Cc1ccc(C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC2CC2)cn1 ZINC000592146392 507510086 /nfs/dbraw/zinc/51/00/86/507510086.db2.gz OAOJIZQVZRYQJF-UHFFFAOYSA-N 1 1 368.437 3.457 20 5 FGBDMO C[C@H]1CC2(C[N@H+]1Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)CCOCC2 ZINC000592182429 507528315 /nfs/dbraw/zinc/52/83/15/507528315.db2.gz ACYCOZHMSZINMV-ZDUSSCGKSA-N 1 1 358.398 3.036 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](c3ccccn3)C2)c1 ZINC000595499748 507530237 /nfs/dbraw/zinc/53/02/37/507530237.db2.gz ATJIIVXAFIAQGN-OAHLLOKOSA-N 1 1 355.394 3.156 20 5 FGBDMO CC(=O)c1nc(CC[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]c1C ZINC000595523128 507542973 /nfs/dbraw/zinc/54/29/73/507542973.db2.gz IESKSNNFZYGJJT-MRXNPFEDSA-N 1 1 356.426 3.251 20 5 FGBDMO CC(=O)c1[nH]c(CC[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)nc1C ZINC000595523128 507542983 /nfs/dbraw/zinc/54/29/83/507542983.db2.gz IESKSNNFZYGJJT-MRXNPFEDSA-N 1 1 356.426 3.251 20 5 FGBDMO CC(=O)c1[nH]c(CC[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)nc1C ZINC000595523128 507542992 /nfs/dbraw/zinc/54/29/92/507542992.db2.gz IESKSNNFZYGJJT-MRXNPFEDSA-N 1 1 356.426 3.251 20 5 FGBDMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611171054 507546465 /nfs/dbraw/zinc/54/64/65/507546465.db2.gz OHMADPDTJOLCGE-KSSFIOAISA-N 1 1 356.426 3.308 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[NH+](C[C@@H]4CCCO4)CC3)o2)cc1 ZINC000611252727 507582462 /nfs/dbraw/zinc/58/24/62/507582462.db2.gz BBJPIQCGASLTGS-SFHVURJKSA-N 1 1 371.437 3.151 20 5 FGBDMO COc1cc(N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)c(F)cc1[N+](=O)[O-] ZINC000611256209 507583530 /nfs/dbraw/zinc/58/35/30/507583530.db2.gz SYRXEFSPWTWOSO-OAHLLOKOSA-N 1 1 359.401 3.453 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC(c4cccnc4)CC3)o2)cc1 ZINC000611258981 507586216 /nfs/dbraw/zinc/58/62/16/507586216.db2.gz RAIAGWKDFPQZBM-UHFFFAOYSA-N 1 1 365.393 3.419 20 5 FGBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1(C)C ZINC000611273742 507598038 /nfs/dbraw/zinc/59/80/38/507598038.db2.gz XHVQNAYAJSRTIM-IAGOWNOFSA-N 1 1 350.415 3.001 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCS[C@@H]3CCCC[C@@H]31)OCCO2 ZINC000611274242 507599442 /nfs/dbraw/zinc/59/94/42/507599442.db2.gz DIIWREZJHMKSJU-SUMWQHHRSA-N 1 1 350.440 3.226 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCS[C@@H]3CCCC[C@@H]31)OCCO2 ZINC000611274242 507599448 /nfs/dbraw/zinc/59/94/48/507599448.db2.gz DIIWREZJHMKSJU-SUMWQHHRSA-N 1 1 350.440 3.226 20 5 FGBDMO CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611276255 507600564 /nfs/dbraw/zinc/60/05/64/507600564.db2.gz FPNPKRMUPQCHBG-KGLIPLIRSA-N 1 1 352.456 3.472 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000595702387 507637624 /nfs/dbraw/zinc/63/76/24/507637624.db2.gz JAUHJQKNHOAPSR-SJORKVTESA-N 1 1 374.485 3.357 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c1 ZINC000595789695 507686808 /nfs/dbraw/zinc/68/68/08/507686808.db2.gz SLSCMYNWBJQYCX-MAUKXSAKSA-N 1 1 362.426 3.163 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@H]([C@@H]4CCCCO4)C3)o2)cc1 ZINC000595791895 507687763 /nfs/dbraw/zinc/68/77/63/507687763.db2.gz XWQVDTYXLPYOFL-RDJZCZTQSA-N 1 1 372.425 3.426 20 5 FGBDMO COc1cc(C[N@H+]2CC3(C[C@@H]2C)CCOCC3)c([N+](=O)[O-])cc1OC ZINC000592527739 507696316 /nfs/dbraw/zinc/69/63/16/507696316.db2.gz OSKYSRXCYJLIAI-ZDUSSCGKSA-N 1 1 350.415 3.003 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000595832034 507706491 /nfs/dbraw/zinc/70/64/91/507706491.db2.gz GZMMBNXVTIDYTP-OAHLLOKOSA-N 1 1 361.442 3.444 20 5 FGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000587344506 507709598 /nfs/dbraw/zinc/70/95/98/507709598.db2.gz NHDQLJJZUBBVNE-GUTXKFCHSA-N 1 1 371.441 3.085 20 5 FGBDMO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000611554855 507735087 /nfs/dbraw/zinc/73/50/87/507735087.db2.gz HFHVKFURTCZAMR-UHFFFAOYSA-N 1 1 361.442 3.029 20 5 FGBDMO Cn1ccnc1[C@@H](Nc1ccc2c(c1)[nH+]cn2C)c1ccc([N+](=O)[O-])cc1 ZINC000611561055 507740617 /nfs/dbraw/zinc/74/06/17/507740617.db2.gz NIXALRSGFUIQJV-SFHVURJKSA-N 1 1 362.393 3.417 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)s1 ZINC000588070535 507751633 /nfs/dbraw/zinc/75/16/33/507751633.db2.gz PDVZIDWQMOUUJV-QGZVFWFLSA-N 1 1 372.494 3.053 20 5 FGBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000735873959 598681495 /nfs/dbraw/zinc/68/14/95/598681495.db2.gz KGZPUDOSXZGAGC-UHFFFAOYSA-N 1 1 370.388 3.325 20 5 FGBDMO Cc1c([C@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)cccc1[N+](=O)[O-] ZINC000822020673 607057667 /nfs/dbraw/zinc/05/76/67/607057667.db2.gz GPXRRYXFKBEIOJ-NSHDSACASA-N 1 1 356.361 3.073 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@H+](Cc2cc(-c3nn[nH]n3)cs2)C2CC2)cc1 ZINC000826498214 608532999 /nfs/dbraw/zinc/53/29/99/608532999.db2.gz LOBCMIYXOOTSAI-UHFFFAOYSA-N 1 1 356.411 3.001 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@@H+](Cc2cc(-c3nn[nH]n3)cs2)C2CC2)cc1 ZINC000826498214 608533000 /nfs/dbraw/zinc/53/30/00/608533000.db2.gz LOBCMIYXOOTSAI-UHFFFAOYSA-N 1 1 356.411 3.001 20 5 FGBDMO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000153480503 705000583 /nfs/dbraw/zinc/00/05/83/705000583.db2.gz NVTJXWPDLHPMPA-UHFFFAOYSA-N 1 1 359.813 3.036 20 5 FGBDMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000153480503 705000592 /nfs/dbraw/zinc/00/05/92/705000592.db2.gz NVTJXWPDLHPMPA-UHFFFAOYSA-N 1 1 359.813 3.036 20 5 FGBDMO COc1ccc([C@H](CO)[N@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000153921041 705016172 /nfs/dbraw/zinc/01/61/72/705016172.db2.gz QGTFLNRLQAPMMS-KRWDZBQOSA-N 1 1 350.802 3.422 20 5 FGBDMO COc1ccc([C@H](CO)[N@@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000153921041 705016179 /nfs/dbraw/zinc/01/61/79/705016179.db2.gz QGTFLNRLQAPMMS-KRWDZBQOSA-N 1 1 350.802 3.422 20 5 FGBDMO COc1ccc(OCC[N@@H+](C)Cc2ccc(Cl)nc2)c([N+](=O)[O-])c1 ZINC000177638008 705632510 /nfs/dbraw/zinc/63/25/10/705632510.db2.gz YCHMOEYWIGHPPZ-UHFFFAOYSA-N 1 1 351.790 3.163 20 5 FGBDMO COC(=O)N1CC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000178171762 705657148 /nfs/dbraw/zinc/65/71/48/705657148.db2.gz YSOKZLXUVPMDBL-UHFFFAOYSA-N 1 1 365.773 3.048 20 5 FGBDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000804869950 724559207 /nfs/dbraw/zinc/55/92/07/724559207.db2.gz JXTFPVQSROXTOZ-UHFFFAOYSA-N 1 1 365.817 3.435 20 5 FGBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc([N+](=O)[O-])ccn3)C[C@H]21 ZINC001165020346 721800748 /nfs/dbraw/zinc/80/07/48/721800748.db2.gz FFQYFTJVVIUEHU-KFKAGJAMSA-N 1 1 367.453 3.122 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCC[C@H]1C ZINC000783914555 724803539 /nfs/dbraw/zinc/80/35/39/724803539.db2.gz AKZHNNBDYVJLEB-CYBMUJFWSA-N 1 1 351.472 3.309 20 5 FGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000746659726 722612592 /nfs/dbraw/zinc/61/25/92/722612592.db2.gz YKVCNCITUIGZNS-UHFFFAOYSA-N 1 1 361.833 3.166 20 5 FGBDMO CCc1ccc([C@H]([NH2+]CC[S@](=O)CC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000753665746 722908772 /nfs/dbraw/zinc/90/87/72/722908772.db2.gz UEXZETZEPHPTGB-MZNJEOGPSA-N 1 1 350.440 3.198 20 5 FGBDMO Cn1cc[nH+]c1[C@H]1CCN(c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000755920359 722958459 /nfs/dbraw/zinc/95/84/59/722958459.db2.gz HFJCSOAWANEXFM-JTQLQIEISA-N 1 1 351.204 3.085 20 5 FGBDMO COCC[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC[C@@H](C)C1 ZINC000792462952 723338570 /nfs/dbraw/zinc/33/85/70/723338570.db2.gz BNUSLRNLBHGDNC-OCCSQVGLSA-N 1 1 369.849 3.324 20 5 FGBDMO C[C@]12CC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@H]1C2(Cl)Cl ZINC000792912307 723381071 /nfs/dbraw/zinc/38/10/71/723381071.db2.gz YIPBVCOJQOLWIK-OCCSQVGLSA-N 1 1 355.225 3.487 20 5 FGBDMO C[C@]12CC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@H]1C2(Cl)Cl ZINC000792912307 723381073 /nfs/dbraw/zinc/38/10/73/723381073.db2.gz YIPBVCOJQOLWIK-OCCSQVGLSA-N 1 1 355.225 3.487 20 5 FGBDMO O=C(C[NH+]1CCC2(CCOCC2)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000792932754 723384090 /nfs/dbraw/zinc/38/40/90/723384090.db2.gz DLTUOZBQSHMMME-UHFFFAOYSA-N 1 1 367.833 3.079 20 5 FGBDMO C[C@@]12CC[N@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@@H]1C2(Cl)Cl ZINC000793612169 723454870 /nfs/dbraw/zinc/45/48/70/723454870.db2.gz HABAWDSBUAJGGK-LSDHHAIUSA-N 1 1 373.236 3.382 20 5 FGBDMO C[C@@]12CC[N@@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@@H]1C2(Cl)Cl ZINC000793612169 723454872 /nfs/dbraw/zinc/45/48/72/723454872.db2.gz HABAWDSBUAJGGK-LSDHHAIUSA-N 1 1 373.236 3.382 20 5 FGBDMO CCS[C@H]1CCCC[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794634452 723536986 /nfs/dbraw/zinc/53/69/86/723536986.db2.gz XFTGXCMQVXCDBX-LBPRGKRZSA-N 1 1 351.428 3.068 20 5 FGBDMO CCS[C@H]1CCCC[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794634452 723536987 /nfs/dbraw/zinc/53/69/87/723536987.db2.gz XFTGXCMQVXCDBX-LBPRGKRZSA-N 1 1 351.428 3.068 20 5 FGBDMO Cc1[nH+]ccn1CCCOC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000767670193 723627721 /nfs/dbraw/zinc/62/77/21/723627721.db2.gz HVGYGQBFCSPDPW-UHFFFAOYSA-N 1 1 368.187 3.109 20 5 FGBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000768256778 723652195 /nfs/dbraw/zinc/65/21/95/723652195.db2.gz FBLZUKNZQKSIOP-NSHDSACASA-N 1 1 355.232 3.358 20 5 FGBDMO O=[N+]([O-])c1cccc(Br)c1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000768256778 723652197 /nfs/dbraw/zinc/65/21/97/723652197.db2.gz FBLZUKNZQKSIOP-NSHDSACASA-N 1 1 355.232 3.358 20 5 FGBDMO C[N@@H+](CCOC(=O)c1ccc([N+](=O)[O-])cc1F)Cc1ccc(F)cc1 ZINC000769089498 723676567 /nfs/dbraw/zinc/67/65/67/723676567.db2.gz WERPSJCXQAKVPD-UHFFFAOYSA-N 1 1 350.321 3.162 20 5 FGBDMO O=[N+]([O-])CCN1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000798193914 723912483 /nfs/dbraw/zinc/91/24/83/723912483.db2.gz RDBZPWUPIFHGAJ-UHFFFAOYSA-N 1 1 365.886 3.463 20 5 FGBDMO CN(Cc1c(Br)cccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000809705035 725260639 /nfs/dbraw/zinc/26/06/39/725260639.db2.gz MOTQNSAFEUMUHM-FUNVUKJBSA-N 1 1 368.275 3.414 20 5 FGBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC[C@H]21 ZINC000813486918 726884611 /nfs/dbraw/zinc/88/46/11/726884611.db2.gz CWSFJBBOJLWHGX-IINYFYTJSA-N 1 1 372.252 3.458 20 5 FGBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)Cc1ccc(F)cc1 ZINC000815063554 727029940 /nfs/dbraw/zinc/02/99/40/727029940.db2.gz NQYVKOOJVUTJGO-INIZCTEOSA-N 1 1 352.793 3.423 20 5 FGBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)Cc1ccc(F)cc1 ZINC000815063554 727029946 /nfs/dbraw/zinc/02/99/46/727029946.db2.gz NQYVKOOJVUTJGO-INIZCTEOSA-N 1 1 352.793 3.423 20 5 FGBDMO Cc1[nH+]ccn1CCCOC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000815509968 727081205 /nfs/dbraw/zinc/08/12/05/727081205.db2.gz DTTGJQASWAQQQX-UHFFFAOYSA-N 1 1 357.288 3.366 20 5 FGBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000816879669 727201967 /nfs/dbraw/zinc/20/19/67/727201967.db2.gz TUJSTXQXNMXNJQ-ZDUSSCGKSA-N 1 1 353.850 3.490 20 5 FGBDMO C[C@@H]1CC2(CN1Cc1c(Br)cccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000818431937 727311238 /nfs/dbraw/zinc/31/12/38/727311238.db2.gz WZCLSWJLPSNNRI-GFCCVEGCSA-N 1 1 368.275 3.321 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000824651462 729352995 /nfs/dbraw/zinc/35/29/95/729352995.db2.gz DYBCGLVVKIJQRM-CYBMUJFWSA-N 1 1 367.877 3.417 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000827287223 729428138 /nfs/dbraw/zinc/42/81/38/729428138.db2.gz JXQYSNMMVIOJNR-BBRMVZONSA-N 1 1 363.483 3.263 20 5 FGBDMO O=C(C[N@@H+]1CC[C@H](c2cccnc2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000829506721 729486144 /nfs/dbraw/zinc/48/61/44/729486144.db2.gz WLWAAPVLKCJFQG-ZDUSSCGKSA-N 1 1 360.801 3.071 20 5 FGBDMO O=C(C[N@H+]1CC[C@H](c2cccnc2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000829506721 729486146 /nfs/dbraw/zinc/48/61/46/729486146.db2.gz WLWAAPVLKCJFQG-ZDUSSCGKSA-N 1 1 360.801 3.071 20 5 FGBDMO COc1cc(C(=O)OC[C@H]2CCCC[N@H+]2C(C)C)c([N+](=O)[O-])cc1F ZINC000838055707 730086572 /nfs/dbraw/zinc/08/65/72/730086572.db2.gz XXANAKZQOBOFNM-GFCCVEGCSA-N 1 1 354.378 3.162 20 5 FGBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000843768020 730652758 /nfs/dbraw/zinc/65/27/58/730652758.db2.gz RQUPHUQXJIVQLI-ZDUSSCGKSA-N 1 1 351.422 3.427 20 5 FGBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000843774148 730653520 /nfs/dbraw/zinc/65/35/20/730653520.db2.gz IBXORZMENPUFOT-FRRDWIJNSA-N 1 1 351.422 3.139 20 5 FGBDMO O=[N+]([O-])c1cccc(C[NH+]2CCC(C3(O)CC3)CC2)c1Br ZINC000844362529 730707581 /nfs/dbraw/zinc/70/75/81/730707581.db2.gz FMQCXMXKTCLRPM-UHFFFAOYSA-N 1 1 355.232 3.094 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@]4(CC4(F)F)C3)n2)c1 ZINC000844437649 730718412 /nfs/dbraw/zinc/71/84/12/730718412.db2.gz UPCDGUHWCUYJPS-OAHLLOKOSA-N 1 1 350.325 3.266 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@]4(CC4(F)F)C3)n2)c1 ZINC000844437649 730718414 /nfs/dbraw/zinc/71/84/14/730718414.db2.gz UPCDGUHWCUYJPS-OAHLLOKOSA-N 1 1 350.325 3.266 20 5 FGBDMO C[N@H+](CCc1cccs1)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848481274 731169626 /nfs/dbraw/zinc/16/96/26/731169626.db2.gz XRECGIMMHCLHBC-QGZVFWFLSA-N 1 1 359.451 3.104 20 5 FGBDMO C[N@@H+](CCc1cccs1)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848481274 731169628 /nfs/dbraw/zinc/16/96/28/731169628.db2.gz XRECGIMMHCLHBC-QGZVFWFLSA-N 1 1 359.451 3.104 20 5 FGBDMO O=[N+]([O-])c1ccc(Cl)cc1NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000853795391 731755629 /nfs/dbraw/zinc/75/56/29/731755629.db2.gz MLBUANJQTDDDTC-MRXNPFEDSA-N 1 1 361.829 3.427 20 5 FGBDMO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000855809384 731958340 /nfs/dbraw/zinc/95/83/40/731958340.db2.gz DEKDTPSZFOXNHZ-GFCCVEGCSA-N 1 1 351.834 3.385 20 5 FGBDMO O=C(CC[N@H+]1CC[C@H]2CC[C@@H](C1)S2)Nc1cc([N+](=O)[O-])ccc1F ZINC000859543223 732347507 /nfs/dbraw/zinc/34/75/07/732347507.db2.gz HCTRMVIVSSPPQO-OLZOCXBDSA-N 1 1 353.419 3.032 20 5 FGBDMO C[C@@H](CC(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)C(F)(F)F ZINC000860780938 732570872 /nfs/dbraw/zinc/57/08/72/732570872.db2.gz RRNTWNYHIPFDRR-FZMZJTMJSA-N 1 1 360.332 3.301 20 5 FGBDMO C[C@@H](CC(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)C(F)(F)F ZINC000860780938 732570873 /nfs/dbraw/zinc/57/08/73/732570873.db2.gz RRNTWNYHIPFDRR-FZMZJTMJSA-N 1 1 360.332 3.301 20 5 FGBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000874832793 735936709 /nfs/dbraw/zinc/93/67/09/735936709.db2.gz HBYSBLRIEWHIRD-OLZOCXBDSA-N 1 1 369.874 3.035 20 5 FGBDMO COCC1CC[NH+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 ZINC000878100124 736770942 /nfs/dbraw/zinc/77/09/42/736770942.db2.gz LDQFWCBDUXKSTI-UHFFFAOYSA-N 1 1 366.805 3.157 20 5 FGBDMO CC[N@@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C[C@H](C)OC ZINC000878638334 736902862 /nfs/dbraw/zinc/90/28/62/736902862.db2.gz PYIKXJKFMIEMFZ-JTQLQIEISA-N 1 1 354.794 3.155 20 5 FGBDMO CC[N@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C[C@H](C)OC ZINC000878638334 736902864 /nfs/dbraw/zinc/90/28/64/736902864.db2.gz PYIKXJKFMIEMFZ-JTQLQIEISA-N 1 1 354.794 3.155 20 5 FGBDMO CS[C@H]1CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878665792 736905471 /nfs/dbraw/zinc/90/54/71/736905471.db2.gz MQIQXHWOJSAMTL-JTQLQIEISA-N 1 1 354.819 3.236 20 5 FGBDMO CS[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878665792 736905472 /nfs/dbraw/zinc/90/54/72/736905472.db2.gz MQIQXHWOJSAMTL-JTQLQIEISA-N 1 1 354.819 3.236 20 5 FGBDMO Cc1cc([C@H](C)[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])n(C)n1 ZINC000883295460 737548358 /nfs/dbraw/zinc/54/83/58/737548358.db2.gz IZQNCYYRDKGXFM-JTQLQIEISA-N 1 1 353.220 3.250 20 5 FGBDMO CCO/C=C\[C@@](O)(C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C(F)(F)F ZINC000895709261 742444137 /nfs/dbraw/zinc/44/41/37/742444137.db2.gz YMNRBHAOGIJHDH-CFHLNLSMSA-N 1 1 368.739 3.181 20 5 FGBDMO NS(=O)(=O)C[C@H]1CC[N@@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000897057945 742637422 /nfs/dbraw/zinc/63/74/22/742637422.db2.gz KMXQWULBRBIRLT-HNNXBMFYSA-N 1 1 354.475 3.103 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000900817083 743174501 /nfs/dbraw/zinc/17/45/01/743174501.db2.gz DNDZRFFEGBOHRQ-ZWNOBZJWSA-N 1 1 357.813 3.190 20 5 FGBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000919899117 758486190 /nfs/dbraw/zinc/48/61/90/758486190.db2.gz GDPZEZHBIHACHX-VXGBXAGGSA-N 1 1 354.838 3.490 20 5 FGBDMO Cc1ccc(N2CCC(C(=O)OCc3csc([N+](=O)[O-])c3)CC2)[nH+]c1 ZINC000920613491 758579517 /nfs/dbraw/zinc/57/95/17/758579517.db2.gz IPTVVWUACFKBQY-UHFFFAOYSA-N 1 1 361.423 3.320 20 5 FGBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCC[C@H]1CCCC[N@H+]1C ZINC000920776829 758599768 /nfs/dbraw/zinc/59/97/68/758599768.db2.gz DVOKFDNMYFKGDP-GXTWGEPZSA-N 1 1 370.833 3.433 20 5 FGBDMO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCC[C@H]1CCCC[N@H+]1C ZINC000920776835 758600311 /nfs/dbraw/zinc/60/03/11/758600311.db2.gz DVOKFDNMYFKGDP-TZMCWYRMSA-N 1 1 370.833 3.433 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000923272610 759093930 /nfs/dbraw/zinc/09/39/30/759093930.db2.gz CJNWERPQPJELAO-HIFRSBDPSA-N 1 1 363.483 3.404 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC000933714513 761461916 /nfs/dbraw/zinc/46/19/16/761461916.db2.gz ISLXDOUMUDHFRA-GFCCVEGCSA-N 1 1 352.316 3.393 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)cs1 ZINC000933712970 761462153 /nfs/dbraw/zinc/46/21/53/761462153.db2.gz WJSVOUHTYURJJU-SNVBAGLBSA-N 1 1 358.345 3.455 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)cs1 ZINC000933712970 761462155 /nfs/dbraw/zinc/46/21/55/761462155.db2.gz WJSVOUHTYURJJU-SNVBAGLBSA-N 1 1 358.345 3.455 20 5 FGBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000933780275 761472921 /nfs/dbraw/zinc/47/29/21/761472921.db2.gz WOEOVLPZRNBRFE-CQSZACIVSA-N 1 1 367.877 3.371 20 5 FGBDMO Cc1nn(C)c(NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000052244967 210061325 /nfs/dbraw/zinc/06/13/25/210061325.db2.gz TWXGWOIDBRGTDF-CQSZACIVSA-N 1 1 357.458 3.481 20 5 FGBDMO Cc1c(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)cccc1[N+](=O)[O-] ZINC000097473968 222182858 /nfs/dbraw/zinc/18/28/58/222182858.db2.gz HLBUFELSFZGJJQ-UHFFFAOYSA-N 1 1 371.412 3.390 20 5 FGBDMO Cc1c(C[N@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)cccc1[N+](=O)[O-] ZINC000097473968 222182862 /nfs/dbraw/zinc/18/28/62/222182862.db2.gz HLBUFELSFZGJJQ-UHFFFAOYSA-N 1 1 371.412 3.390 20 5 FGBDMO C[C@H](c1ccccc1)[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC1CCC1 ZINC000075766405 493777336 /nfs/dbraw/zinc/77/73/36/493777336.db2.gz IUZFDIDRACLBJA-BEFAXECRSA-N 1 1 358.442 3.016 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)CCC[N@@H+](C)Cc1ccncc1 ZINC000574046070 505681489 /nfs/dbraw/zinc/68/14/89/505681489.db2.gz AJAACSAXSDCOLK-UHFFFAOYSA-N 1 1 370.453 3.201 20 5 FGBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000081363950 493880486 /nfs/dbraw/zinc/88/04/86/493880486.db2.gz CGSYNWNYTBWHHQ-HUUCEWRRSA-N 1 1 365.499 3.266 20 5 FGBDMO COc1ccc(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cc1[N+](=O)[O-] ZINC000076395737 493884111 /nfs/dbraw/zinc/88/41/11/493884111.db2.gz WXDPGEJMHJNRNW-OAHLLOKOSA-N 1 1 367.409 3.026 20 5 FGBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000081584517 493923731 /nfs/dbraw/zinc/92/37/31/493923731.db2.gz TURXOPFMBJBWTN-IBGZPJMESA-N 1 1 371.412 3.057 20 5 FGBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000081584517 493923734 /nfs/dbraw/zinc/92/37/34/493923734.db2.gz TURXOPFMBJBWTN-IBGZPJMESA-N 1 1 371.412 3.057 20 5 FGBDMO CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@H]1COc2ccccc2O1 ZINC000051257725 493956347 /nfs/dbraw/zinc/95/63/47/493956347.db2.gz KBQUQVQQSOCMKB-HNNXBMFYSA-N 1 1 358.394 3.265 20 5 FGBDMO O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000081945136 493971276 /nfs/dbraw/zinc/97/12/76/493971276.db2.gz YVKQXEBUYSNEEZ-LJQANCHMSA-N 1 1 371.412 3.057 20 5 FGBDMO O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000081945136 493971280 /nfs/dbraw/zinc/97/12/80/493971280.db2.gz YVKQXEBUYSNEEZ-LJQANCHMSA-N 1 1 371.412 3.057 20 5 FGBDMO Cc1c(C(=O)NCCC[N@H+]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000032398973 493985085 /nfs/dbraw/zinc/98/50/85/493985085.db2.gz GTJKMONPNVGRPF-UHFFFAOYSA-N 1 1 353.422 3.081 20 5 FGBDMO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083169284 494001576 /nfs/dbraw/zinc/00/15/76/494001576.db2.gz GMTOGCVIOIOTMH-ZIAGYGMSSA-N 1 1 374.441 3.253 20 5 FGBDMO CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000083169949 494002604 /nfs/dbraw/zinc/00/26/04/494002604.db2.gz CAEDRJOSZAPASM-ZDUSSCGKSA-N 1 1 374.441 3.109 20 5 FGBDMO C[C@@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[N@H+]1CCCC[C@H]1C ZINC000032730693 494009442 /nfs/dbraw/zinc/00/94/42/494009442.db2.gz ZVGYQWIAXFUNMH-KGLIPLIRSA-N 1 1 360.458 3.162 20 5 FGBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000070448651 494044331 /nfs/dbraw/zinc/04/43/31/494044331.db2.gz VIBSJUBMHJUUCR-LJQANCHMSA-N 1 1 367.449 3.166 20 5 FGBDMO COc1ccc(C)cc1C[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000007876022 494048221 /nfs/dbraw/zinc/04/82/21/494048221.db2.gz HISWVUACAWUPMU-UHFFFAOYSA-N 1 1 355.438 3.230 20 5 FGBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000053370896 494123871 /nfs/dbraw/zinc/12/38/71/494123871.db2.gz FRUZSULESIUVAK-INIZCTEOSA-N 1 1 362.474 3.025 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000087057692 494166514 /nfs/dbraw/zinc/16/65/14/494166514.db2.gz LSVQRZCNIKRHRU-INIZCTEOSA-N 1 1 374.485 3.317 20 5 FGBDMO C[C@@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000087273477 494189919 /nfs/dbraw/zinc/18/99/19/494189919.db2.gz RCJSGGJPNBLYAC-INIZCTEOSA-N 1 1 355.438 3.164 20 5 FGBDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000072838408 494261377 /nfs/dbraw/zinc/26/13/77/494261377.db2.gz KHZRWPKDVNRFBJ-TZMCWYRMSA-N 1 1 367.471 3.148 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCS[C@@H](C(C)C)C1 ZINC000072837084 494261487 /nfs/dbraw/zinc/26/14/87/494261487.db2.gz CXZYNDOVYDYROA-MRXNPFEDSA-N 1 1 367.471 3.005 20 5 FGBDMO CCS[C@H]1CC[C@H]([N@@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000072838240 494261772 /nfs/dbraw/zinc/26/17/72/494261772.db2.gz UEISUBFZQFQVLI-KBPBESRZSA-N 1 1 351.472 3.448 20 5 FGBDMO CCSCC[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000072901773 494279568 /nfs/dbraw/zinc/27/95/68/494279568.db2.gz XGNKWLGGQCZGSU-LBPRGKRZSA-N 1 1 355.460 3.005 20 5 FGBDMO C[NH+](C)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000043343102 494289357 /nfs/dbraw/zinc/28/93/57/494289357.db2.gz AOGLZGIUGZXOAX-CYBMUJFWSA-N 1 1 352.778 3.266 20 5 FGBDMO COc1ccc(F)cc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000055152675 494306874 /nfs/dbraw/zinc/30/68/74/494306874.db2.gz FPAOHFYAMYZZEW-VXGBXAGGSA-N 1 1 361.373 3.420 20 5 FGBDMO COc1ccc(F)cc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000055152674 494307566 /nfs/dbraw/zinc/30/75/66/494307566.db2.gz FPAOHFYAMYZZEW-NWDGAFQWSA-N 1 1 361.373 3.420 20 5 FGBDMO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000066474640 494341386 /nfs/dbraw/zinc/34/13/86/494341386.db2.gz RVSQYWVSCRZYHF-ZBFHGGJFSA-N 1 1 363.458 3.120 20 5 FGBDMO CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CCn2cc([N+](=O)[O-])ccc2=O)o1 ZINC000090551291 494481355 /nfs/dbraw/zinc/48/13/55/494481355.db2.gz PMPWDXTYUKTJST-YOEHRIQHSA-N 1 1 359.426 3.385 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2F)cc1F ZINC000067524209 494557375 /nfs/dbraw/zinc/55/73/75/494557375.db2.gz AWOCKSKUXOSSTF-UHFFFAOYSA-N 1 1 372.331 3.297 20 5 FGBDMO CCN1CC[NH+](Cc2ccc(CNc3cc(C)c([N+](=O)[O-])cn3)cc2)CC1 ZINC000074740823 494588669 /nfs/dbraw/zinc/58/86/69/494588669.db2.gz BCRWNPTVHKSQGZ-UHFFFAOYSA-N 1 1 369.469 3.048 20 5 FGBDMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000125960736 494589415 /nfs/dbraw/zinc/58/94/15/494589415.db2.gz PPKKCBDFGFFDMG-CYBMUJFWSA-N 1 1 358.394 3.230 20 5 FGBDMO Cc1ccc(C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)Cc2ccco2)s1 ZINC000131379116 494598920 /nfs/dbraw/zinc/59/89/20/494598920.db2.gz FTVWTIAWNXEGGI-UHFFFAOYSA-N 1 1 373.434 3.422 20 5 FGBDMO Cc1ccc(C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)Cc2ccco2)s1 ZINC000131379116 494598928 /nfs/dbraw/zinc/59/89/28/494598928.db2.gz FTVWTIAWNXEGGI-UHFFFAOYSA-N 1 1 373.434 3.422 20 5 FGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000047144500 494643483 /nfs/dbraw/zinc/64/34/83/494643483.db2.gz OTIVCDVVQDHNMD-ZIAGYGMSSA-N 1 1 351.472 3.066 20 5 FGBDMO O=C(c1ccccc1)N1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000121207519 494645078 /nfs/dbraw/zinc/64/50/78/494645078.db2.gz CVSDOIPNYJZMNX-IZZDOVSWSA-N 1 1 365.433 3.456 20 5 FGBDMO O=C(c1ccccc1)N1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000121207519 494645083 /nfs/dbraw/zinc/64/50/83/494645083.db2.gz CVSDOIPNYJZMNX-IZZDOVSWSA-N 1 1 365.433 3.456 20 5 FGBDMO Cc1cc([C@H]2CCC[N@H+]2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)on1 ZINC000067965838 494712437 /nfs/dbraw/zinc/71/24/37/494712437.db2.gz REJBAFXCVUOWKO-MRXNPFEDSA-N 1 1 358.398 3.365 20 5 FGBDMO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000092705438 494715803 /nfs/dbraw/zinc/71/58/03/494715803.db2.gz OSHJFUXZNFHXGY-CQSZACIVSA-N 1 1 357.410 3.345 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CCc3cc(F)ccc3C2)cccc1[N+](=O)[O-] ZINC000091895622 494716808 /nfs/dbraw/zinc/71/68/08/494716808.db2.gz QBTIVYLTUHYLAN-UHFFFAOYSA-N 1 1 357.385 3.429 20 5 FGBDMO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000025460865 494744762 /nfs/dbraw/zinc/74/47/62/494744762.db2.gz VFSJAKCPNXIOCG-UHFFFAOYSA-N 1 1 353.422 3.162 20 5 FGBDMO CC(C)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000025535823 494754419 /nfs/dbraw/zinc/75/44/19/494754419.db2.gz MVHKMRKIJRYNLQ-HXUWFJFHSA-N 1 1 367.449 3.408 20 5 FGBDMO COc1cccc(C[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000026221972 494811475 /nfs/dbraw/zinc/81/14/75/494811475.db2.gz HOSRCYWFKICCOC-UHFFFAOYSA-N 1 1 373.409 3.073 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@H+](C)[C@@H](CC)c2ccncc2)c([N+](=O)[O-])c1 ZINC000092223980 494815248 /nfs/dbraw/zinc/81/52/48/494815248.db2.gz CNQGYFZYCVIJTA-KRWDZBQOSA-N 1 1 372.425 3.410 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@@H+](C)[C@@H](CC)c2ccncc2)c([N+](=O)[O-])c1 ZINC000092223980 494815252 /nfs/dbraw/zinc/81/52/52/494815252.db2.gz CNQGYFZYCVIJTA-KRWDZBQOSA-N 1 1 372.425 3.410 20 5 FGBDMO CCCC[N@H+](Cc1ccccc1Cl)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075684756 494816059 /nfs/dbraw/zinc/81/60/59/494816059.db2.gz MJPUZRCUORJFAM-MRXNPFEDSA-N 1 1 366.849 3.108 20 5 FGBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1[N+](=O)[O-] ZINC000109563085 494890997 /nfs/dbraw/zinc/89/09/97/494890997.db2.gz HTSRPCKFLGQVIJ-CQSZACIVSA-N 1 1 359.451 3.298 20 5 FGBDMO CNC(=O)CCC[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000093717310 494914429 /nfs/dbraw/zinc/91/44/29/494914429.db2.gz XJUIYEJZRQOMHU-UHFFFAOYSA-N 1 1 365.817 3.466 20 5 FGBDMO CCc1nn(C)c(NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000094166539 494956194 /nfs/dbraw/zinc/95/61/94/494956194.db2.gz MIOFUXCENGQQMS-WFASDCNBSA-N 1 1 363.487 3.447 20 5 FGBDMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000110207250 494957769 /nfs/dbraw/zinc/95/77/69/494957769.db2.gz LDVXJIHPFZCPQM-UHFFFAOYSA-N 1 1 373.840 3.426 20 5 FGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000127566322 494963068 /nfs/dbraw/zinc/96/30/68/494963068.db2.gz UVSAFQVRELLIEI-CYBMUJFWSA-N 1 1 369.450 3.483 20 5 FGBDMO CCO[C@H]1C[C@@H]([N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000133124508 494973645 /nfs/dbraw/zinc/97/36/45/494973645.db2.gz GPSUOBKWXVKILN-CABCVRRESA-N 1 1 360.414 3.280 20 5 FGBDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000133124508 494973648 /nfs/dbraw/zinc/97/36/48/494973648.db2.gz GPSUOBKWXVKILN-CABCVRRESA-N 1 1 360.414 3.280 20 5 FGBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000110975847 495026555 /nfs/dbraw/zinc/02/65/55/495026555.db2.gz RLDMTXLTQYGSKR-AWEZNQCLSA-N 1 1 363.458 3.234 20 5 FGBDMO Cn1cc[nH+]c1CC1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000112080627 495142267 /nfs/dbraw/zinc/14/22/67/495142267.db2.gz WTTVBGZQAWATRL-UHFFFAOYSA-N 1 1 351.410 3.336 20 5 FGBDMO CC[C@H](O)C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccccc1 ZINC000134478983 495156538 /nfs/dbraw/zinc/15/65/38/495156538.db2.gz FUKGIGKPQXOOPT-SFHVURJKSA-N 1 1 371.437 3.115 20 5 FGBDMO CC[C@H](O)C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccccc1 ZINC000134478983 495156540 /nfs/dbraw/zinc/15/65/40/495156540.db2.gz FUKGIGKPQXOOPT-SFHVURJKSA-N 1 1 371.437 3.115 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)cccc1[N+](=O)[O-] ZINC000129549484 495261353 /nfs/dbraw/zinc/26/13/53/495261353.db2.gz FLEOTAPVTISJJW-DHSIGJKJSA-N 1 1 371.441 3.010 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)cccc1[N+](=O)[O-] ZINC000129549484 495261356 /nfs/dbraw/zinc/26/13/56/495261356.db2.gz FLEOTAPVTISJJW-DHSIGJKJSA-N 1 1 371.441 3.010 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H]1COc1ccccc1 ZINC000112984846 495262219 /nfs/dbraw/zinc/26/22/19/495262219.db2.gz LRFYFSMTIIZEKM-INIZCTEOSA-N 1 1 369.421 3.385 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H]1COc1ccccc1 ZINC000112984846 495262224 /nfs/dbraw/zinc/26/22/24/495262224.db2.gz LRFYFSMTIIZEKM-INIZCTEOSA-N 1 1 369.421 3.385 20 5 FGBDMO COc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(Br)cc1O ZINC000113325066 495297030 /nfs/dbraw/zinc/29/70/30/495297030.db2.gz PITPNLSEIXXYDC-UHFFFAOYSA-N 1 1 367.199 3.361 20 5 FGBDMO COc1ccccc1CC[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000104710561 495299391 /nfs/dbraw/zinc/29/93/91/495299391.db2.gz SLOCOYRNTFMFMR-UHFFFAOYSA-N 1 1 357.410 3.025 20 5 FGBDMO COc1ccccc1CC[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000104710561 495299394 /nfs/dbraw/zinc/29/93/94/495299394.db2.gz SLOCOYRNTFMFMR-UHFFFAOYSA-N 1 1 357.410 3.025 20 5 FGBDMO COc1ccccc1CC[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000104711097 495299615 /nfs/dbraw/zinc/29/96/15/495299615.db2.gz LQHWEHYINOEUJU-UHFFFAOYSA-N 1 1 371.437 3.415 20 5 FGBDMO C[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CCCC1 ZINC000129890919 495311448 /nfs/dbraw/zinc/31/14/48/495311448.db2.gz OFLNCFJLPWZJBK-UHFFFAOYSA-N 1 1 359.348 3.218 20 5 FGBDMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000129999486 495326171 /nfs/dbraw/zinc/32/61/71/495326171.db2.gz JYWXVSCYEMOZNQ-ZDUSSCGKSA-N 1 1 371.359 3.360 20 5 FGBDMO Cc1ccc(C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C2CC2)cc1C ZINC000120463844 495384623 /nfs/dbraw/zinc/38/46/23/495384623.db2.gz CSPRIUNMACCFDM-UHFFFAOYSA-N 1 1 353.422 3.475 20 5 FGBDMO Cc1ccc(C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C2CC2)cc1C ZINC000120463844 495384626 /nfs/dbraw/zinc/38/46/26/495384626.db2.gz CSPRIUNMACCFDM-UHFFFAOYSA-N 1 1 353.422 3.475 20 5 FGBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1(C)C ZINC000120504757 495393568 /nfs/dbraw/zinc/39/35/68/495393568.db2.gz LBCWDEHYXFBURL-HZPDHXFCSA-N 1 1 350.415 3.097 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000131067511 495487541 /nfs/dbraw/zinc/48/75/41/495487541.db2.gz PSCSAZAQYQQLRY-OAHLLOKOSA-N 1 1 370.434 3.203 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000131067511 495487544 /nfs/dbraw/zinc/48/75/44/495487544.db2.gz PSCSAZAQYQQLRY-OAHLLOKOSA-N 1 1 370.434 3.203 20 5 FGBDMO C[C@H]1CCC[N@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000158821740 495595574 /nfs/dbraw/zinc/59/55/74/495595574.db2.gz BMANBUJGIBAPQE-AWEZNQCLSA-N 1 1 368.437 3.232 20 5 FGBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000154399326 495604287 /nfs/dbraw/zinc/60/42/87/495604287.db2.gz BIHNJYZXFKAPNU-UHFFFAOYSA-N 1 1 351.472 3.121 20 5 FGBDMO O=C(NC1CC1)[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000179487460 495610365 /nfs/dbraw/zinc/61/03/65/495610365.db2.gz LPRMLUVWDVLJLD-QGZVFWFLSA-N 1 1 355.394 3.098 20 5 FGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c1 ZINC000154421210 495611550 /nfs/dbraw/zinc/61/15/50/495611550.db2.gz LGDOVCLDWZBQOV-HYVNUMGLSA-N 1 1 362.451 3.278 20 5 FGBDMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000185551764 495618353 /nfs/dbraw/zinc/61/83/53/495618353.db2.gz PDUXMWFNJRGOHX-MJXNMMHHSA-N 1 1 371.412 3.399 20 5 FGBDMO COCCCN1CCC([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000159058783 495647532 /nfs/dbraw/zinc/64/75/32/495647532.db2.gz GMLILVPGVWCKID-IBGZPJMESA-N 1 1 361.486 3.006 20 5 FGBDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000179672961 495685534 /nfs/dbraw/zinc/68/55/34/495685534.db2.gz ZPKJZVDAWUUFML-UHFFFAOYSA-N 1 1 370.453 3.480 20 5 FGBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 ZINC000173782595 495691541 /nfs/dbraw/zinc/69/15/41/495691541.db2.gz WSMMYRLGAWOGEM-ZDUSSCGKSA-N 1 1 351.472 3.121 20 5 FGBDMO C[C@H]1CCC[N@H+]1C1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000154830286 495741080 /nfs/dbraw/zinc/74/10/80/495741080.db2.gz FEKXPEIRKOXLKM-LBPRGKRZSA-N 1 1 351.834 3.337 20 5 FGBDMO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1nc(Cc2ccccc2)no1 ZINC000173986830 495778464 /nfs/dbraw/zinc/77/84/64/495778464.db2.gz WYEMWGGSVROYCL-CQSZACIVSA-N 1 1 352.394 3.462 20 5 FGBDMO COc1cc(C[N@@H+](C)[C@@H]2CCSC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000179928097 495786775 /nfs/dbraw/zinc/78/67/75/495786775.db2.gz FOYYEXPTCQPNLX-LLVKDONJSA-N 1 1 362.398 3.185 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000180177321 495893624 /nfs/dbraw/zinc/89/36/24/495893624.db2.gz TUWNIKWDBYQDOS-OAHLLOKOSA-N 1 1 363.483 3.406 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000180177321 495893628 /nfs/dbraw/zinc/89/36/28/495893628.db2.gz TUWNIKWDBYQDOS-OAHLLOKOSA-N 1 1 363.483 3.406 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]C[C@]1(C)CCO[C@@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000577878143 505810525 /nfs/dbraw/zinc/81/05/25/505810525.db2.gz OAVVTBXIRJUSDB-GGPKGHCWSA-N 1 1 370.453 3.213 20 5 FGBDMO Cn1ccnc1[C@@H](NC[C@@H]1CCCC[N@H+]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000577878060 505810583 /nfs/dbraw/zinc/81/05/83/505810583.db2.gz HXBFRZSRQRLBSR-OALUTQOASA-N 1 1 369.469 3.024 20 5 FGBDMO O=C(CC[N@@H+]1CCc2[nH]c3ccccc3c2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000171620000 495951701 /nfs/dbraw/zinc/95/17/01/495951701.db2.gz XMJNDAIYSWRROM-UHFFFAOYSA-N 1 1 364.405 3.463 20 5 FGBDMO O=C(CC[N@H+]1CCc2[nH]c3ccccc3c2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000171620000 495951705 /nfs/dbraw/zinc/95/17/05/495951705.db2.gz XMJNDAIYSWRROM-UHFFFAOYSA-N 1 1 364.405 3.463 20 5 FGBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1cc(F)c(F)c(F)c1 ZINC000180495407 496021281 /nfs/dbraw/zinc/02/12/81/496021281.db2.gz QWNVNLPWZBYSIX-UHFFFAOYSA-N 1 1 367.327 3.473 20 5 FGBDMO COC(=O)[C@@H](C)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccccc1 ZINC000152063690 496036298 /nfs/dbraw/zinc/03/62/98/496036298.db2.gz BVOLIZMOMGLPIB-SCLBCKFNSA-N 1 1 358.394 3.243 20 5 FGBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183625764 496053218 /nfs/dbraw/zinc/05/32/18/496053218.db2.gz ORPGQSUJLRYEKQ-UHFFFAOYSA-N 1 1 357.414 3.022 20 5 FGBDMO CCOC(=O)CC[N@H+](Cc1cccnc1)Cc1cccc([N+](=O)[O-])c1C ZINC000180593311 496059053 /nfs/dbraw/zinc/05/90/53/496059053.db2.gz LTCIYCFDWBCSOX-UHFFFAOYSA-N 1 1 357.410 3.254 20 5 FGBDMO CCOC(=O)CC[N@@H+](Cc1cccnc1)Cc1cccc([N+](=O)[O-])c1C ZINC000180593311 496059056 /nfs/dbraw/zinc/05/90/56/496059056.db2.gz LTCIYCFDWBCSOX-UHFFFAOYSA-N 1 1 357.410 3.254 20 5 FGBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000152160295 496065336 /nfs/dbraw/zinc/06/53/36/496065336.db2.gz NBRHZJRMKBRUKW-GOSISDBHSA-N 1 1 360.458 3.143 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000177466482 496073149 /nfs/dbraw/zinc/07/31/49/496073149.db2.gz YEPTVKQLTWVVSJ-MRXNPFEDSA-N 1 1 354.834 3.408 20 5 FGBDMO C[C@]12CCC[N@@H+]1C[C@H](c1noc(/C=C/c3ccc(F)cc3[N+](=O)[O-])n1)OC2 ZINC000568971299 505821624 /nfs/dbraw/zinc/82/16/24/505821624.db2.gz WMORNJVIBPMYPT-WFEZPHLISA-N 1 1 374.372 3.213 20 5 FGBDMO C[C@]12CCC[N@H+]1C[C@H](c1noc(/C=C/c3ccc(F)cc3[N+](=O)[O-])n1)OC2 ZINC000568971299 505821627 /nfs/dbraw/zinc/82/16/27/505821627.db2.gz WMORNJVIBPMYPT-WFEZPHLISA-N 1 1 374.372 3.213 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000177606651 496129573 /nfs/dbraw/zinc/12/95/73/496129573.db2.gz BFKPUEOSBDEFCM-GOSISDBHSA-N 1 1 364.442 3.154 20 5 FGBDMO CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000180826801 496160901 /nfs/dbraw/zinc/16/09/01/496160901.db2.gz JSBAFXWAWPXLGT-HNNXBMFYSA-N 1 1 357.410 3.155 20 5 FGBDMO C[C@@H](C[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1nccs1 ZINC000183989723 496189689 /nfs/dbraw/zinc/18/96/89/496189689.db2.gz NBRLJOVLZVZTST-NSHDSACASA-N 1 1 359.411 3.337 20 5 FGBDMO C[C@@H](C[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1nccs1 ZINC000183989723 496189693 /nfs/dbraw/zinc/18/96/93/496189693.db2.gz NBRLJOVLZVZTST-NSHDSACASA-N 1 1 359.411 3.337 20 5 FGBDMO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000172177968 496197436 /nfs/dbraw/zinc/19/74/36/496197436.db2.gz IAHJGGZMTFCIKC-CYBMUJFWSA-N 1 1 353.850 3.232 20 5 FGBDMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000172177968 496197445 /nfs/dbraw/zinc/19/74/45/496197445.db2.gz IAHJGGZMTFCIKC-CYBMUJFWSA-N 1 1 353.850 3.232 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000156390217 496232118 /nfs/dbraw/zinc/23/21/18/496232118.db2.gz LTOHYTOVSMOORK-RDTXWAMCSA-N 1 1 358.442 3.384 20 5 FGBDMO O=C(NC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC000178063120 496311811 /nfs/dbraw/zinc/31/18/11/496311811.db2.gz OBYVMHOPKBCWMY-QGZVFWFLSA-N 1 1 353.422 3.237 20 5 FGBDMO CCOc1ccc(C[NH+]2CCN(c3nc(C)ccc3[N+](=O)[O-])CC2)cc1 ZINC000178157194 496350648 /nfs/dbraw/zinc/35/06/48/496350648.db2.gz PQYWFFBDASEDTK-UHFFFAOYSA-N 1 1 356.426 3.019 20 5 FGBDMO CCOc1ccc(C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000163560852 496532565 /nfs/dbraw/zinc/53/25/65/496532565.db2.gz XNBDZJCHJQTWTB-OAHLLOKOSA-N 1 1 363.458 3.091 20 5 FGBDMO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000153691537 496546944 /nfs/dbraw/zinc/54/69/44/496546944.db2.gz OQYJATWSJVSJMU-BLLLJJGKSA-N 1 1 363.845 3.337 20 5 FGBDMO Cc1ccc(N2CCC(NC(=O)c3cc([N+](=O)[O-])ccc3C)CC2)[nH+]c1 ZINC000157887132 496577049 /nfs/dbraw/zinc/57/70/49/496577049.db2.gz VXPQHXIROBCDHZ-UHFFFAOYSA-N 1 1 354.410 3.005 20 5 FGBDMO CCOc1cc(C[N@@H+](C)C2CC2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000153797894 496584727 /nfs/dbraw/zinc/58/47/27/496584727.db2.gz MZVQAQHVDUJXJN-UHFFFAOYSA-N 1 1 374.441 3.172 20 5 FGBDMO COc1ccccc1[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000157959529 496594670 /nfs/dbraw/zinc/59/46/70/496594670.db2.gz ICSQLRMEJXLVSL-GJZGRUSLSA-N 1 1 369.421 3.420 20 5 FGBDMO COc1ccccc1[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000157959529 496594675 /nfs/dbraw/zinc/59/46/75/496594675.db2.gz ICSQLRMEJXLVSL-GJZGRUSLSA-N 1 1 369.421 3.420 20 5 FGBDMO COc1ccccc1[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000157959664 496595429 /nfs/dbraw/zinc/59/54/29/496595429.db2.gz ICSQLRMEJXLVSL-CABCVRRESA-N 1 1 369.421 3.420 20 5 FGBDMO COc1ccccc1[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000157959664 496595433 /nfs/dbraw/zinc/59/54/33/496595433.db2.gz ICSQLRMEJXLVSL-CABCVRRESA-N 1 1 369.421 3.420 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000178876418 496602356 /nfs/dbraw/zinc/60/23/56/496602356.db2.gz XWAIQNDDGSYOSQ-HOTGVXAUSA-N 1 1 362.474 3.323 20 5 FGBDMO C[C@H](c1ccc(Cl)cc1)[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000173235986 496606020 /nfs/dbraw/zinc/60/60/20/496606020.db2.gz UFJYUNBLEBASJJ-SJKOYZFVSA-N 1 1 364.833 3.031 20 5 FGBDMO Cc1c(Br)c(N[C@H]2CC[N@H+]3CCCC[C@H]23)ncc1[N+](=O)[O-] ZINC000165747689 496667961 /nfs/dbraw/zinc/66/79/61/496667961.db2.gz GEAWAHPAHUUANF-WDEREUQCSA-N 1 1 355.236 3.099 20 5 FGBDMO C[C@H]1C[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000176113714 496689197 /nfs/dbraw/zinc/68/91/97/496689197.db2.gz OYISWSJDMQZJQU-LPHOPBHVSA-N 1 1 367.449 3.307 20 5 FGBDMO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000182174973 496698179 /nfs/dbraw/zinc/69/81/79/496698179.db2.gz PWBHKUHCTPUIBS-LBPRGKRZSA-N 1 1 368.842 3.373 20 5 FGBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000188160644 496705124 /nfs/dbraw/zinc/70/51/24/496705124.db2.gz BMWHXMAECWFYBE-CYBMUJFWSA-N 1 1 351.472 3.311 20 5 FGBDMO Cc1[nH+]ccn1-c1ncccc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185237599 496713856 /nfs/dbraw/zinc/71/38/56/496713856.db2.gz NPODRVNYQWHFGE-LLVKDONJSA-N 1 1 369.356 3.365 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@H](O)COc1ccccc1F)C1CC1 ZINC000179239940 496719422 /nfs/dbraw/zinc/71/94/22/496719422.db2.gz XZJVCUHAKHVIPX-INIZCTEOSA-N 1 1 360.385 3.138 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@H](O)COc1ccccc1F)C1CC1 ZINC000179239940 496719426 /nfs/dbraw/zinc/71/94/26/496719426.db2.gz XZJVCUHAKHVIPX-INIZCTEOSA-N 1 1 360.385 3.138 20 5 FGBDMO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000273484214 496819135 /nfs/dbraw/zinc/81/91/35/496819135.db2.gz RDKIWORMZMCPDT-YVEFUNNKSA-N 1 1 362.405 3.215 20 5 FGBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000247339827 496838873 /nfs/dbraw/zinc/83/88/73/496838873.db2.gz JDCFKJTWJHPTHX-YOEHRIQHSA-N 1 1 359.451 3.469 20 5 FGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2ccncc2)CC1 ZINC000191651744 496846946 /nfs/dbraw/zinc/84/69/46/496846946.db2.gz FJVGEEZQNWKDAY-AWEZNQCLSA-N 1 1 354.410 3.196 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC(c4ccncc4)CC3)o2)cc1 ZINC000191674548 496852925 /nfs/dbraw/zinc/85/29/25/496852925.db2.gz ANTBMKUPTNZQCC-UHFFFAOYSA-N 1 1 365.393 3.419 20 5 FGBDMO C[C@H](c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)[NH+]1CCOCC1 ZINC000264458939 496905617 /nfs/dbraw/zinc/90/56/17/496905617.db2.gz PHJFYCWWCITYIY-CQSZACIVSA-N 1 1 355.394 3.240 20 5 FGBDMO CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000247963167 496933495 /nfs/dbraw/zinc/93/34/95/496933495.db2.gz DERSJKGXSNQMMV-APWZRJJASA-N 1 1 369.421 3.169 20 5 FGBDMO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000269460015 496951749 /nfs/dbraw/zinc/95/17/49/496951749.db2.gz WRMFDTFGHDAKIM-CXAGYDPISA-N 1 1 369.421 3.430 20 5 FGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c1 ZINC000269684700 496988901 /nfs/dbraw/zinc/98/89/01/496988901.db2.gz ZMBLZCLUGCLBAS-IBGZPJMESA-N 1 1 364.405 3.294 20 5 FGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c1 ZINC000269684702 496989474 /nfs/dbraw/zinc/98/94/74/496989474.db2.gz ZMBLZCLUGCLBAS-LJQANCHMSA-N 1 1 364.405 3.294 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000248453764 497017256 /nfs/dbraw/zinc/01/72/56/497017256.db2.gz KBMGTXYLVKIGHP-WMZOPIPTSA-N 1 1 374.412 3.038 20 5 FGBDMO COc1cc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c([N+](=O)[O-])cc1F ZINC000248633211 497065877 /nfs/dbraw/zinc/06/58/77/497065877.db2.gz SDEHEMAPYDATAP-CABCVRRESA-N 1 1 351.422 3.190 20 5 FGBDMO Cc1c(NC(=O)CC[N@@H+]2CC=C(C(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000270161508 497069125 /nfs/dbraw/zinc/06/91/25/497069125.db2.gz IKXPIBMXQFPPGZ-UHFFFAOYSA-N 1 1 357.332 3.426 20 5 FGBDMO Cc1c(CC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000248870477 497122464 /nfs/dbraw/zinc/12/24/64/497122464.db2.gz QLMHFGPDPKJFHT-BEFAXECRSA-N 1 1 367.449 3.082 20 5 FGBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000278477419 497128319 /nfs/dbraw/zinc/12/83/19/497128319.db2.gz ZZSNAELRTBOBPA-UHFFFAOYSA-N 1 1 359.357 3.121 20 5 FGBDMO C[N@@H+](CCCn1ccnc1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000278511117 497140113 /nfs/dbraw/zinc/14/01/13/497140113.db2.gz BJBHMBADHYKAJP-UHFFFAOYSA-N 1 1 353.220 3.076 20 5 FGBDMO CSc1cccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000249150846 497175192 /nfs/dbraw/zinc/17/51/92/497175192.db2.gz WWAVZEWPHZYOSN-NVXWUHKLSA-N 1 1 371.462 3.492 20 5 FGBDMO COC[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCCO1 ZINC000278786871 497221348 /nfs/dbraw/zinc/22/13/48/497221348.db2.gz ZSNYSDMZGWOXFG-CVEARBPZSA-N 1 1 363.439 3.002 20 5 FGBDMO COc1cc(C(=O)Nc2c[nH+]ccc2-n2cc(C)cn2)cc([N+](=O)[O-])c1C ZINC000189724849 497224733 /nfs/dbraw/zinc/22/47/33/497224733.db2.gz AESHWYHHAYQORR-UHFFFAOYSA-N 1 1 367.365 3.053 20 5 FGBDMO Cc1[nH+]ccn1CCCCNc1c(Br)cncc1[N+](=O)[O-] ZINC000270960248 497233074 /nfs/dbraw/zinc/23/30/74/497233074.db2.gz NWJMKTOFKGYKSY-UHFFFAOYSA-N 1 1 354.208 3.150 20 5 FGBDMO CC[NH+]1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000249699144 497233805 /nfs/dbraw/zinc/23/38/05/497233805.db2.gz WRNRXSBDADQURP-UHFFFAOYSA-N 1 1 354.410 3.116 20 5 FGBDMO Nc1c(F)c(N2CCC(c3[nH+]cc4n3CCCC4)CC2)ccc1[N+](=O)[O-] ZINC000278915654 497266409 /nfs/dbraw/zinc/26/64/09/497266409.db2.gz SQGSEBDBJARNTP-UHFFFAOYSA-N 1 1 359.405 3.233 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000252652951 497315372 /nfs/dbraw/zinc/31/53/72/497315372.db2.gz RGXLBYSZGOYWOS-UKPHBRMFSA-N 1 1 371.441 3.122 20 5 FGBDMO Cc1c(Br)c(N[C@H]2CC[N@H+]3CCC[C@H]3C2)ncc1[N+](=O)[O-] ZINC000252868145 497321766 /nfs/dbraw/zinc/32/17/66/497321766.db2.gz RIKPSRNUSHXDMA-QWRGUYRKSA-N 1 1 355.236 3.099 20 5 FGBDMO C[N@H+](Cc1cccc(Cl)c1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193331451 497352097 /nfs/dbraw/zinc/35/20/97/497352097.db2.gz TYNFBVNQSITKNP-HNNXBMFYSA-N 1 1 350.802 3.120 20 5 FGBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H](O)COCc1ccccc1 ZINC000255765484 497374694 /nfs/dbraw/zinc/37/46/94/497374694.db2.gz AAAGVJCAPIQAQY-KOTDBNOLSA-N 1 1 356.422 3.118 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000245383725 497379509 /nfs/dbraw/zinc/37/95/09/497379509.db2.gz RDTUHVPMPCDVNW-GDBMZVCRSA-N 1 1 354.410 3.108 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000245383725 497379513 /nfs/dbraw/zinc/37/95/13/497379513.db2.gz RDTUHVPMPCDVNW-GDBMZVCRSA-N 1 1 354.410 3.108 20 5 FGBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000279374479 497421978 /nfs/dbraw/zinc/42/19/78/497421978.db2.gz UIWZIAWPQOZNHS-LBPRGKRZSA-N 1 1 371.840 3.120 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000261691022 497433288 /nfs/dbraw/zinc/43/32/88/497433288.db2.gz CHQMVLPFOWDJHV-LBPRGKRZSA-N 1 1 351.815 3.096 20 5 FGBDMO CC[N@@H+](C)C[C@@H]1CCN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000267250033 497510799 /nfs/dbraw/zinc/51/07/99/497510799.db2.gz OABDCLJUTPPHQJ-HNNXBMFYSA-N 1 1 355.442 3.138 20 5 FGBDMO O=C1CC[C@H]2C[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]2N1C1CC1 ZINC000245745206 497525235 /nfs/dbraw/zinc/52/52/35/497525235.db2.gz FTNGDIDPBRNTTJ-BLLLJJGKSA-N 1 1 363.845 3.224 20 5 FGBDMO O=C1CC[C@H]2C[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]2N1C1CC1 ZINC000245745206 497525238 /nfs/dbraw/zinc/52/52/38/497525238.db2.gz FTNGDIDPBRNTTJ-BLLLJJGKSA-N 1 1 363.845 3.224 20 5 FGBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000245779815 497535837 /nfs/dbraw/zinc/53/58/37/497535837.db2.gz YRTLGZDQJOJKOX-SJCJKPOMSA-N 1 1 374.466 3.051 20 5 FGBDMO Cc1ccccc1C(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000276346593 497550783 /nfs/dbraw/zinc/55/07/83/497550783.db2.gz VMABGOGLMHBKPT-UHFFFAOYSA-N 1 1 371.412 3.437 20 5 FGBDMO C[N@@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)cc1 ZINC000245854670 497551197 /nfs/dbraw/zinc/55/11/97/497551197.db2.gz JVCRRFMLRJXYIL-IAGOWNOFSA-N 1 1 359.813 3.423 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)cc1 ZINC000245854670 497551199 /nfs/dbraw/zinc/55/11/99/497551199.db2.gz JVCRRFMLRJXYIL-IAGOWNOFSA-N 1 1 359.813 3.423 20 5 FGBDMO C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272370318 497610344 /nfs/dbraw/zinc/61/03/44/497610344.db2.gz UEHDWALGKHECMN-APWZRJJASA-N 1 1 367.449 3.164 20 5 FGBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000572226674 505918997 /nfs/dbraw/zinc/91/89/97/505918997.db2.gz DLNCJWGJNFLDCA-SFHVURJKSA-N 1 1 360.458 3.191 20 5 FGBDMO CC[N@H+](Cc1ccncc1)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000267864423 497631223 /nfs/dbraw/zinc/63/12/23/497631223.db2.gz BMMBVNGSHFYLMF-LBPRGKRZSA-N 1 1 362.817 3.492 20 5 FGBDMO CC[N@@H+](Cc1ccncc1)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000267864423 497631229 /nfs/dbraw/zinc/63/12/29/497631229.db2.gz BMMBVNGSHFYLMF-LBPRGKRZSA-N 1 1 362.817 3.492 20 5 FGBDMO CC(C)CCOC1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000194336455 497638225 /nfs/dbraw/zinc/63/82/25/497638225.db2.gz ZNAQBAMZWNTHFY-HNNXBMFYSA-N 1 1 363.458 3.449 20 5 FGBDMO CCc1nc(CC[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000272549694 497658685 /nfs/dbraw/zinc/65/86/85/497658685.db2.gz RDHKEJLGTBUOPA-KRWDZBQOSA-N 1 1 371.466 3.269 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000569392641 505924192 /nfs/dbraw/zinc/92/41/92/505924192.db2.gz UGNLBIFFDIBSBL-HXUWFJFHSA-N 1 1 358.413 3.469 20 5 FGBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246354580 497706032 /nfs/dbraw/zinc/70/60/32/497706032.db2.gz KHVNQPKNTJZYJA-GDBMZVCRSA-N 1 1 360.458 3.025 20 5 FGBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000246505578 497757129 /nfs/dbraw/zinc/75/71/29/497757129.db2.gz GACUJTOHYROHDJ-GXFFZTMASA-N 1 1 359.348 3.026 20 5 FGBDMO O=[N+]([O-])c1ccc2oc(CN3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)nc2c1 ZINC000246525352 497763405 /nfs/dbraw/zinc/76/34/05/497763405.db2.gz JCFDHCUQUIFYDH-SUMWQHHRSA-N 1 1 356.426 3.185 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000299575027 497853954 /nfs/dbraw/zinc/85/39/54/497853954.db2.gz HMHGFCWEYSJFMY-QGZVFWFLSA-N 1 1 370.409 3.164 20 5 FGBDMO CC[C@H](NC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC000364270054 497871626 /nfs/dbraw/zinc/87/16/26/497871626.db2.gz UXNXRWWJOQGBHT-NZZOQPFGSA-N 1 1 360.458 3.218 20 5 FGBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(Nc2nccc(C(N)=O)c2[N+](=O)[O-])cc1 ZINC000569516262 505952822 /nfs/dbraw/zinc/95/28/22/505952822.db2.gz AIUZDBGKWXNLHD-ZDUSSCGKSA-N 1 1 369.425 3.207 20 5 FGBDMO C[C@H](NC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000292307076 497964079 /nfs/dbraw/zinc/96/40/79/497964079.db2.gz NEIPPCCLZPISBQ-CABCVRRESA-N 1 1 360.458 3.172 20 5 FGBDMO CC[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000296265509 497977518 /nfs/dbraw/zinc/97/75/18/497977518.db2.gz DLLOUDDFWCXPSA-YXJHDRRASA-N 1 1 353.422 3.327 20 5 FGBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000281072484 498010803 /nfs/dbraw/zinc/01/08/03/498010803.db2.gz ZZTHIJQKDIOVPB-PBHICJAKSA-N 1 1 368.437 3.069 20 5 FGBDMO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285188510 498016596 /nfs/dbraw/zinc/01/65/96/498016596.db2.gz CFBSWNCPQQLEFZ-CYBMUJFWSA-N 1 1 352.394 3.479 20 5 FGBDMO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285188510 498016603 /nfs/dbraw/zinc/01/66/03/498016603.db2.gz CFBSWNCPQQLEFZ-CYBMUJFWSA-N 1 1 352.394 3.479 20 5 FGBDMO C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285231209 498027865 /nfs/dbraw/zinc/02/78/65/498027865.db2.gz FZBSMPPQZUIISQ-ZDUSSCGKSA-N 1 1 352.394 3.217 20 5 FGBDMO C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285231209 498027870 /nfs/dbraw/zinc/02/78/70/498027870.db2.gz FZBSMPPQZUIISQ-ZDUSSCGKSA-N 1 1 352.394 3.217 20 5 FGBDMO COc1cc(F)c([N+](=O)[O-])c(N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000301332832 498060300 /nfs/dbraw/zinc/06/03/00/498060300.db2.gz FHSOAHIHFSPDLA-UHFFFAOYSA-N 1 1 351.403 3.126 20 5 FGBDMO COc1cc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000301359007 498073336 /nfs/dbraw/zinc/07/33/36/498073336.db2.gz NIFKABYMBCXCLG-UHFFFAOYSA-N 1 1 359.401 3.455 20 5 FGBDMO COCCc1cc[nH+]c(N[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000572468897 505976560 /nfs/dbraw/zinc/97/65/60/505976560.db2.gz RQCVHNWMUIROJC-ZDUSSCGKSA-N 1 1 358.398 3.008 20 5 FGBDMO C[C@@]12CCC[N@H+]1C[C@H](c1noc(-c3c[nH]c4cc([N+](=O)[O-])ccc43)n1)OC2 ZINC000350400765 498094557 /nfs/dbraw/zinc/09/45/57/498094557.db2.gz RDUSHPZMCCDCCN-QAPCUYQASA-N 1 1 369.381 3.052 20 5 FGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2c1ccc(Br)cc1[N+](=O)[O-] ZINC000301577674 498171031 /nfs/dbraw/zinc/17/10/31/498171031.db2.gz OGFNMOPUBVVUCU-OLZOCXBDSA-N 1 1 354.248 3.420 20 5 FGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c1 ZINC000285782780 498198996 /nfs/dbraw/zinc/19/89/96/498198996.db2.gz DYSOUYUYNLOYDK-PLACYPQZSA-N 1 1 368.433 3.133 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000289590247 498208072 /nfs/dbraw/zinc/20/80/72/498208072.db2.gz PQTJFGYXYKQNKB-MJGOQNOKSA-N 1 1 373.453 3.265 20 5 FGBDMO O=[N+]([O-])c1cc(F)ccc1N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000301717705 498236593 /nfs/dbraw/zinc/23/65/93/498236593.db2.gz KYIKZZXEJIULQY-QAPCUYQASA-N 1 1 359.401 3.029 20 5 FGBDMO C[C@H](Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000301732843 498243058 /nfs/dbraw/zinc/24/30/58/498243058.db2.gz AAYCIHODUIMWAJ-ISVAXAHUSA-N 1 1 367.755 3.398 20 5 FGBDMO C[C@H](Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000301732843 498243062 /nfs/dbraw/zinc/24/30/62/498243062.db2.gz AAYCIHODUIMWAJ-ISVAXAHUSA-N 1 1 367.755 3.398 20 5 FGBDMO CC(C)[C@]1(CO)CCC[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000293076372 498259788 /nfs/dbraw/zinc/25/97/88/498259788.db2.gz OMAZPLAHQWMGIA-IFXJQAMLSA-N 1 1 374.441 3.436 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)ccc1NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000301864592 498301694 /nfs/dbraw/zinc/30/16/94/498301694.db2.gz GPZXYGJJHVXMQC-CVEARBPZSA-N 1 1 361.829 3.296 20 5 FGBDMO C[C@H](CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)C[NH+]1CCOCC1 ZINC000301879069 498308824 /nfs/dbraw/zinc/30/88/24/498308824.db2.gz URGBNZUQNCQCTA-OAHLLOKOSA-N 1 1 356.426 3.037 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000301947122 498340201 /nfs/dbraw/zinc/34/02/01/498340201.db2.gz HJCGFHJMQAZOFY-HNNXBMFYSA-N 1 1 372.473 3.118 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000331481635 498346096 /nfs/dbraw/zinc/34/60/96/498346096.db2.gz JOONDPUQUWAMFB-MLGOLLRUSA-N 1 1 363.483 3.308 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000289972091 498375707 /nfs/dbraw/zinc/37/57/07/498375707.db2.gz XEWHQOKPUXOSRP-WMZOPIPTSA-N 1 1 361.442 3.121 20 5 FGBDMO CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000286512642 498421505 /nfs/dbraw/zinc/42/15/05/498421505.db2.gz QGMDRPCLHIWAAZ-INIZCTEOSA-N 1 1 372.425 3.131 20 5 FGBDMO C[C@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC[N@H+](C2CCC2)C1 ZINC000293750574 498476022 /nfs/dbraw/zinc/47/60/22/498476022.db2.gz SKNFJRPSEXLOPI-CYBMUJFWSA-N 1 1 356.426 3.023 20 5 FGBDMO COc1ccc(NC(=O)C[N@@H+](C)C2CCC(F)(F)CC2)c([N+](=O)[O-])c1 ZINC000286718653 498485763 /nfs/dbraw/zinc/48/57/63/498485763.db2.gz GEKSOBRQPRMNQO-UHFFFAOYSA-N 1 1 357.357 3.052 20 5 FGBDMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C2CC2)C[C@H]1C ZINC000578877112 506043215 /nfs/dbraw/zinc/04/32/15/506043215.db2.gz ZKMGBFNHBDHODM-KGLIPLIRSA-N 1 1 370.457 3.107 20 5 FGBDMO COc1ccc(C[NH2+]Cc2ccncc2OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000282406690 498498973 /nfs/dbraw/zinc/49/89/73/498498973.db2.gz YVOFKHZWXQQHFX-UHFFFAOYSA-N 1 1 371.315 3.229 20 5 FGBDMO Cc1cc(N2CC[C@@H]([NH+]3CC=CC3)C2)c(Br)cc1[N+](=O)[O-] ZINC000302651659 498524098 /nfs/dbraw/zinc/52/40/98/498524098.db2.gz GRIFMZXFUHMHCI-GFCCVEGCSA-N 1 1 352.232 3.116 20 5 FGBDMO Cc1ccnc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1[N+](=O)[O-] ZINC000302794213 498576858 /nfs/dbraw/zinc/57/68/58/498576858.db2.gz NTDBJTNAALPSFH-QGZVFWFLSA-N 1 1 356.426 3.001 20 5 FGBDMO C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C1CCC(CO)CC1 ZINC000282647906 498595472 /nfs/dbraw/zinc/59/54/72/498595472.db2.gz CEPSXMUSKUFEEY-UHFFFAOYSA-N 1 1 357.248 3.340 20 5 FGBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000297913943 498608281 /nfs/dbraw/zinc/60/82/81/498608281.db2.gz UCNVNFZATKHTIF-ABAIWWIYSA-N 1 1 371.359 3.170 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000302906723 498623736 /nfs/dbraw/zinc/62/37/36/498623736.db2.gz XCJIYTKTPUXFDU-LJQANCHMSA-N 1 1 355.438 3.472 20 5 FGBDMO CCS[C@@H]1CCCC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000303467307 498678022 /nfs/dbraw/zinc/67/80/22/498678022.db2.gz PQLJTFHALPGTGH-IAGOWNOFSA-N 1 1 363.483 3.308 20 5 FGBDMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000332449076 498691587 /nfs/dbraw/zinc/69/15/87/498691587.db2.gz SYGUPAKYMDPHHT-AWEZNQCLSA-N 1 1 361.377 3.362 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000332485329 498702121 /nfs/dbraw/zinc/70/21/21/498702121.db2.gz NIUZHMSPPAOYLG-ZOBUZTSGSA-N 1 1 360.458 3.232 20 5 FGBDMO Cc1cc(Cl)c(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000294640401 498758359 /nfs/dbraw/zinc/75/83/59/498758359.db2.gz BCCZVHXYWFTPBH-AWEZNQCLSA-N 1 1 351.790 3.182 20 5 FGBDMO CC(C)(CCc1noc([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1)[N+](=O)[O-] ZINC000291049001 498772694 /nfs/dbraw/zinc/77/26/94/498772694.db2.gz HYNCGSNRXXHZMZ-MRXNPFEDSA-N 1 1 358.442 3.437 20 5 FGBDMO C[C@@](CO)([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000317738768 498793630 /nfs/dbraw/zinc/79/36/30/498793630.db2.gz JKBTUXSBIQRXTQ-INIZCTEOSA-N 1 1 365.227 3.355 20 5 FGBDMO CC(C)(CCC(=O)Nc1ccccc1C[NH+]1CCSCC1)[N+](=O)[O-] ZINC000294822323 498816910 /nfs/dbraw/zinc/81/69/10/498816910.db2.gz WJARBCJVDWRPOX-UHFFFAOYSA-N 1 1 351.472 3.009 20 5 FGBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc(C(F)(F)F)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000294984330 498870313 /nfs/dbraw/zinc/87/03/13/498870313.db2.gz OTDZQRLTROWOQD-BXUZGUMPSA-N 1 1 371.359 3.170 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](n3cc[nH+]c3CC)C2)c1 ZINC000283824691 498993180 /nfs/dbraw/zinc/99/31/80/498993180.db2.gz FLLXXPHTPHITJC-CQSZACIVSA-N 1 1 372.425 3.230 20 5 FGBDMO C[NH+](C)[C@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000291637659 499019297 /nfs/dbraw/zinc/01/92/97/499019297.db2.gz JOVATSPUHZYEHN-OAHLLOKOSA-N 1 1 360.414 3.025 20 5 FGBDMO C[N@H+](Cc1ccccc1)C[C@H](Cn1cnc([N+](=O)[O-])n1)c1ccccc1 ZINC000295795947 499103208 /nfs/dbraw/zinc/10/32/08/499103208.db2.gz RYVXKJZAVAYXOE-GOSISDBHSA-N 1 1 351.410 3.102 20 5 FGBDMO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(F)cc2)no1 ZINC000369902813 499148680 /nfs/dbraw/zinc/14/86/80/499148680.db2.gz QQBPGFHCGTYRKK-BZNIZROVSA-N 1 1 372.356 3.168 20 5 FGBDMO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000369995764 499163338 /nfs/dbraw/zinc/16/33/38/499163338.db2.gz BQDVUKOQLGWDFM-SFHVURJKSA-N 1 1 355.373 3.047 20 5 FGBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000369995764 499163339 /nfs/dbraw/zinc/16/33/39/499163339.db2.gz BQDVUKOQLGWDFM-SFHVURJKSA-N 1 1 355.373 3.047 20 5 FGBDMO Cc1ncc(C[N@H+]2CC[C@H](Nc3ccc(N)cc3[N+](=O)[O-])[C@@H](C)C2)s1 ZINC000367349738 499186267 /nfs/dbraw/zinc/18/62/67/499186267.db2.gz UWCQATIJVUYCBR-NHYWBVRUSA-N 1 1 361.471 3.264 20 5 FGBDMO O=C(CC[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000367364134 499188973 /nfs/dbraw/zinc/18/89/73/499188973.db2.gz ACFZCMXFXZDAGS-HZPDHXFCSA-N 1 1 361.442 3.062 20 5 FGBDMO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CCN(Cc2ccncc2)CC1 ZINC000367403918 499195237 /nfs/dbraw/zinc/19/52/37/499195237.db2.gz QGPRUFRKOLNWEZ-UHFFFAOYSA-N 1 1 358.417 3.225 20 5 FGBDMO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CCN(Cc2ccncc2)CC1 ZINC000367403918 499195238 /nfs/dbraw/zinc/19/52/38/499195238.db2.gz QGPRUFRKOLNWEZ-UHFFFAOYSA-N 1 1 358.417 3.225 20 5 FGBDMO CC(=O)c1cc(NC[C@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000367731704 499229142 /nfs/dbraw/zinc/22/91/42/499229142.db2.gz XRJLHUWVMFCDTC-AUUYWEPGSA-N 1 1 371.441 3.026 20 5 FGBDMO CC(=O)c1cc(NC[C@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000367731704 499229143 /nfs/dbraw/zinc/22/91/43/499229143.db2.gz XRJLHUWVMFCDTC-AUUYWEPGSA-N 1 1 371.441 3.026 20 5 FGBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1 ZINC000367729158 499229156 /nfs/dbraw/zinc/22/91/56/499229156.db2.gz ONCXTYGSOHVXAU-LIRRHRJNSA-N 1 1 371.441 3.026 20 5 FGBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1 ZINC000367729158 499229158 /nfs/dbraw/zinc/22/91/58/499229158.db2.gz ONCXTYGSOHVXAU-LIRRHRJNSA-N 1 1 371.441 3.026 20 5 FGBDMO CN(c1ncc([N+](=O)[O-])cn1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000370544539 499230362 /nfs/dbraw/zinc/23/03/62/499230362.db2.gz UMOKNCXLUSCJPC-SJPCQFCGSA-N 1 1 353.426 3.017 20 5 FGBDMO O=C(Nc1cccnc1)C1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000370754489 499251738 /nfs/dbraw/zinc/25/17/38/499251738.db2.gz SREFMDFOEOCRKT-UHFFFAOYSA-N 1 1 374.828 3.494 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@](CO)(C(C)C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000367997943 499253352 /nfs/dbraw/zinc/25/33/52/499253352.db2.gz RBFKEORGCMGMNW-QGZVFWFLSA-N 1 1 374.384 3.045 20 5 FGBDMO Cc1[nH+]c(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c2n1CCCC2 ZINC000368139768 499268512 /nfs/dbraw/zinc/26/85/12/499268512.db2.gz VAZAQRFCNZAKBC-UHFFFAOYSA-N 1 1 374.416 3.169 20 5 FGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000371066487 499285618 /nfs/dbraw/zinc/28/56/18/499285618.db2.gz SCSCJCMDBVUXES-XJKSGUPXSA-N 1 1 372.425 3.454 20 5 FGBDMO CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000371128403 499291386 /nfs/dbraw/zinc/29/13/86/499291386.db2.gz LAIVUHCAYNDARH-ZDUSSCGKSA-N 1 1 362.817 3.312 20 5 FGBDMO NC(=O)c1ccc(C[NH2+][C@H](c2ccccn2)C2CCCC2)c([N+](=O)[O-])c1 ZINC000371552763 499341263 /nfs/dbraw/zinc/34/12/63/499341263.db2.gz JSUJZRCGKQHMJK-SFHVURJKSA-N 1 1 354.410 3.110 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000371585852 499344644 /nfs/dbraw/zinc/34/46/44/499344644.db2.gz VTTOYDYPKDIDBO-SJLPKXTDSA-N 1 1 370.453 3.499 20 5 FGBDMO Cc1cc(C[NH+]2CCC(N(C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)on1 ZINC000368960024 499350840 /nfs/dbraw/zinc/35/08/40/499350840.db2.gz DCYXFUUJQHIJGB-UHFFFAOYSA-N 1 1 373.413 3.020 20 5 FGBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3cccc(OC(F)F)c3)C2)c1 ZINC000369012906 499357233 /nfs/dbraw/zinc/35/72/33/499357233.db2.gz ZPYXFLWJYBQWGQ-CYBMUJFWSA-N 1 1 352.341 3.230 20 5 FGBDMO CCc1nc(CN2CCC[C@@H]([N@@H+](C)[C@@H](C)c3cccc([N+](=O)[O-])c3)C2)no1 ZINC000369238164 499381710 /nfs/dbraw/zinc/38/17/10/499381710.db2.gz RIPDHLJJTTWCRC-WMLDXEAASA-N 1 1 373.457 3.198 20 5 FGBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC(Nc3cccc(C)[nH+]3)CC2)c1 ZINC000369455301 499404711 /nfs/dbraw/zinc/40/47/11/499404711.db2.gz BVBVGFSUTZIUIQ-UHFFFAOYSA-N 1 1 370.409 3.024 20 5 FGBDMO COc1ccc(C(=O)N2CCC[C@@H]2CNc2cccc(C)[nH+]2)cc1[N+](=O)[O-] ZINC000369505883 499410309 /nfs/dbraw/zinc/41/03/09/499410309.db2.gz LRMGZNVGNDOQBK-OAHLLOKOSA-N 1 1 370.409 3.024 20 5 FGBDMO C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373246058 499459619 /nfs/dbraw/zinc/45/96/19/499459619.db2.gz NNWNMAZVQZUTNH-ZDUSSCGKSA-N 1 1 368.397 3.239 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC2(CCOCC2)[C@H]1C ZINC000375242862 499498498 /nfs/dbraw/zinc/49/84/98/499498498.db2.gz RFDRDHFSSLCKTL-OAHLLOKOSA-N 1 1 361.442 3.123 20 5 FGBDMO CC(C)c1ccc(C[N@@H+]2CCCN(C(=O)c3ccc[nH]3)CC2)cc1[N+](=O)[O-] ZINC000378356388 499506285 /nfs/dbraw/zinc/50/62/85/499506285.db2.gz RZFZKPNCBHBPBQ-UHFFFAOYSA-N 1 1 370.453 3.394 20 5 FGBDMO CC(C)c1ccc(C[N@H+]2CCCN(C(=O)c3ccc[nH]3)CC2)cc1[N+](=O)[O-] ZINC000378356388 499506286 /nfs/dbraw/zinc/50/62/86/499506286.db2.gz RZFZKPNCBHBPBQ-UHFFFAOYSA-N 1 1 370.453 3.394 20 5 FGBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000389063494 499552350 /nfs/dbraw/zinc/55/23/50/499552350.db2.gz SZVMYOJXNQAUES-RHSMWYFYSA-N 1 1 357.458 3.442 20 5 FGBDMO CC(=O)c1cc(N[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000376174795 499588773 /nfs/dbraw/zinc/58/87/73/499588773.db2.gz UMGACAINKMDBMC-RPVQJOFSSA-N 1 1 361.442 3.099 20 5 FGBDMO CCCc1[nH]nc(C(=O)Nc2cccc3c2C[N@H+](C2CC2)C3)c1[N+](=O)[O-] ZINC000376178904 499589317 /nfs/dbraw/zinc/58/93/17/499589317.db2.gz VRYMGCOWFOQDMJ-UHFFFAOYSA-N 1 1 355.398 3.001 20 5 FGBDMO O=C(NCc1c[nH+]c2n1CCCC2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000377323979 499679957 /nfs/dbraw/zinc/67/99/57/499679957.db2.gz ODTYIPMZNXOAQZ-UHFFFAOYSA-N 1 1 369.425 3.002 20 5 FGBDMO CC(C)n1cc(CN2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000377566994 499705710 /nfs/dbraw/zinc/70/57/10/499705710.db2.gz NPLXWCUKVGZASF-UHFFFAOYSA-N 1 1 357.458 3.080 20 5 FGBDMO CC(C)n1cc(CN2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000377566994 499705711 /nfs/dbraw/zinc/70/57/11/499705711.db2.gz NPLXWCUKVGZASF-UHFFFAOYSA-N 1 1 357.458 3.080 20 5 FGBDMO CC(C)n1cc(C[N@@H+]2CCCN(Cc3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000377566994 499705712 /nfs/dbraw/zinc/70/57/12/499705712.db2.gz NPLXWCUKVGZASF-UHFFFAOYSA-N 1 1 357.458 3.080 20 5 FGBDMO CC(C)n1cc(C[N@H+]2CCCN(Cc3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000377566994 499705713 /nfs/dbraw/zinc/70/57/13/499705713.db2.gz NPLXWCUKVGZASF-UHFFFAOYSA-N 1 1 357.458 3.080 20 5 FGBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000377741208 499727097 /nfs/dbraw/zinc/72/70/97/499727097.db2.gz MMSXJSXKXQRRSE-RKVPGOIHSA-N 1 1 370.453 3.444 20 5 FGBDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411423114 499738338 /nfs/dbraw/zinc/73/83/38/499738338.db2.gz MFWBTMRYMLUYCJ-INIZCTEOSA-N 1 1 357.414 3.100 20 5 FGBDMO CN(C)C(=O)[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000414500105 499799910 /nfs/dbraw/zinc/79/99/10/499799910.db2.gz PQRIOYWRNZXPJQ-AWEZNQCLSA-N 1 1 359.451 3.233 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000414555971 499807996 /nfs/dbraw/zinc/80/79/96/499807996.db2.gz UZRPYFGAJFSHQP-IYICPGQYSA-N 1 1 357.454 3.475 20 5 FGBDMO O=C1C[C@]2(CC[N@@H+](CCOc3ccccc3[N+](=O)[O-])C2)Oc2ccccc21 ZINC000411988454 499810512 /nfs/dbraw/zinc/81/05/12/499810512.db2.gz QLVQONHIYXKGFY-FQEVSTJZSA-N 1 1 368.389 3.084 20 5 FGBDMO O=C1C[C@]2(CC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)Oc2ccccc21 ZINC000411988454 499810514 /nfs/dbraw/zinc/81/05/14/499810514.db2.gz QLVQONHIYXKGFY-FQEVSTJZSA-N 1 1 368.389 3.084 20 5 FGBDMO Cc1[nH+]ccn1CCCCNC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000412138081 499826921 /nfs/dbraw/zinc/82/69/21/499826921.db2.gz XMVHWFSFIMFCJI-UHFFFAOYSA-N 1 1 360.414 3.097 20 5 FGBDMO COc1cc(C[NH2+][C@@H](CN)C2CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414793039 499831983 /nfs/dbraw/zinc/83/19/83/499831983.db2.gz CYHWSKJHRIXAOK-SFHVURJKSA-N 1 1 371.437 3.009 20 5 FGBDMO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000412242534 499837261 /nfs/dbraw/zinc/83/72/61/499837261.db2.gz JXRFTMGJJZBWMO-MWHZBGGUSA-N 1 1 371.481 3.468 20 5 FGBDMO COc1ccc(-c2ccc(CN3CC[C@H](C)[C@H](C[NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000415123744 499866997 /nfs/dbraw/zinc/86/69/97/499866997.db2.gz JOOSXNRBHGMQOI-UONOGXRCSA-N 1 1 359.426 3.280 20 5 FGBDMO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000412702662 499878041 /nfs/dbraw/zinc/87/80/41/499878041.db2.gz WVDWZWZILMHBRH-OAHLLOKOSA-N 1 1 371.412 3.009 20 5 FGBDMO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1Cc1ccccc1 ZINC000412702662 499878042 /nfs/dbraw/zinc/87/80/42/499878042.db2.gz WVDWZWZILMHBRH-OAHLLOKOSA-N 1 1 371.412 3.009 20 5 FGBDMO O=[N+]([O-])c1cnc(NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)c(F)c1 ZINC000413272115 499935486 /nfs/dbraw/zinc/93/54/86/499935486.db2.gz XREZIGIHRDEXRQ-OAHLLOKOSA-N 1 1 362.430 3.158 20 5 FGBDMO O=[N+]([O-])c1cnc(NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)c(F)c1 ZINC000413272115 499935487 /nfs/dbraw/zinc/93/54/87/499935487.db2.gz XREZIGIHRDEXRQ-OAHLLOKOSA-N 1 1 362.430 3.158 20 5 FGBDMO COc1ccc(OCc2ccc(C[NH+]3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000421221351 499994927 /nfs/dbraw/zinc/99/49/27/499994927.db2.gz YQKIBPWLFBFRJC-UHFFFAOYSA-N 1 1 358.394 3.015 20 5 FGBDMO CC(C)N(CC(F)(F)F)C(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429237431 500029610 /nfs/dbraw/zinc/02/96/10/500029610.db2.gz PCHRBNKGKCXQEM-UHFFFAOYSA-N 1 1 361.364 3.219 20 5 FGBDMO CC(C)([NH2+]CC(=O)Nc1nc2c(s1)CCC2)c1ccccc1[N+](=O)[O-] ZINC000429249292 500034597 /nfs/dbraw/zinc/03/45/97/500034597.db2.gz ZSELESCBNKIXQR-UHFFFAOYSA-N 1 1 360.439 3.003 20 5 FGBDMO COC(=O)[C@H](C)C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000425394294 500092918 /nfs/dbraw/zinc/09/29/18/500092918.db2.gz KJTKQACTHXMUMK-SNVBAGLBSA-N 1 1 371.231 3.131 20 5 FGBDMO CN(Cc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CC2)C1 ZINC000425407009 500095395 /nfs/dbraw/zinc/09/53/95/500095395.db2.gz QFLYIDHQLFACJO-AWEZNQCLSA-N 1 1 354.248 3.026 20 5 FGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCCNC(=O)C1CCC1 ZINC000429537641 500095991 /nfs/dbraw/zinc/09/59/91/500095991.db2.gz MYHFIJJPXYLRSQ-UHFFFAOYSA-N 1 1 363.458 3.120 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000425466077 500113484 /nfs/dbraw/zinc/11/34/84/500113484.db2.gz ASLCKONBPCMVOD-XUJVJEKNSA-N 1 1 369.259 3.340 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000425466077 500113486 /nfs/dbraw/zinc/11/34/86/500113486.db2.gz ASLCKONBPCMVOD-XUJVJEKNSA-N 1 1 369.259 3.340 20 5 FGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425559781 500147043 /nfs/dbraw/zinc/14/70/43/500147043.db2.gz ZQMDUFIAPZHOLM-KBXCAEBGSA-N 1 1 373.453 3.203 20 5 FGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425559784 500147151 /nfs/dbraw/zinc/14/71/51/500147151.db2.gz ZQMDUFIAPZHOLM-RDTXWAMCSA-N 1 1 373.453 3.203 20 5 FGBDMO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000430111171 500194254 /nfs/dbraw/zinc/19/42/54/500194254.db2.gz OOUHQRLAANFWEQ-FQEVSTJZSA-N 1 1 354.406 3.220 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000430883653 500301884 /nfs/dbraw/zinc/30/18/84/500301884.db2.gz RNVLXSQKUOFVCY-QGZVFWFLSA-N 1 1 353.422 3.388 20 5 FGBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000426794235 500321511 /nfs/dbraw/zinc/32/15/11/500321511.db2.gz QQXKUJPKGQFDBY-NSHDSACASA-N 1 1 359.879 3.185 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CCSC[C@H]2C2CCC2)cccc1[N+](=O)[O-] ZINC000419377230 500358886 /nfs/dbraw/zinc/35/88/86/500358886.db2.gz UCZCZGFSPAFBSM-KRWDZBQOSA-N 1 1 363.483 3.449 20 5 FGBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000431778741 500423703 /nfs/dbraw/zinc/42/37/03/500423703.db2.gz MVYXQVJHTADZHQ-CABCVRRESA-N 1 1 362.474 3.250 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@H](CNc1c(C(N)=O)cccc1[N+](=O)[O-])C1CC1 ZINC000420613099 500478011 /nfs/dbraw/zinc/47/80/11/500478011.db2.gz QKWZPYVQGBEOIR-GOSISDBHSA-N 1 1 368.437 3.016 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)n1 ZINC000428685478 500542842 /nfs/dbraw/zinc/54/28/42/500542842.db2.gz XQHGTKNQXJHYFN-GOSISDBHSA-N 1 1 370.453 3.310 20 5 FGBDMO Cc1cccc(C[N@H+](C)[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1C ZINC000428715128 500547756 /nfs/dbraw/zinc/54/77/56/500547756.db2.gz XFNHSAUYTVUSFQ-IBGZPJMESA-N 1 1 353.422 3.449 20 5 FGBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437200924 500613068 /nfs/dbraw/zinc/61/30/68/500613068.db2.gz VUVNZYUYDCGXFB-VXGBXAGGSA-N 1 1 373.375 3.464 20 5 FGBDMO CC[C@@H](Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2)c1cccc([N+](=O)[O-])c1 ZINC000433076249 500621348 /nfs/dbraw/zinc/62/13/48/500621348.db2.gz NDOACGVKYWGNNP-LJQANCHMSA-N 1 1 368.437 3.001 20 5 FGBDMO CC[C@@H](Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2)c1cccc([N+](=O)[O-])c1 ZINC000433076249 500621350 /nfs/dbraw/zinc/62/13/50/500621350.db2.gz NDOACGVKYWGNNP-LJQANCHMSA-N 1 1 368.437 3.001 20 5 FGBDMO CC[N@H+](Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@H]1CCNC1=O ZINC000442963097 500653886 /nfs/dbraw/zinc/65/38/86/500653886.db2.gz FFYANRKCVVRYSK-INIZCTEOSA-N 1 1 373.384 3.237 20 5 FGBDMO CC[N@@H+](Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@H]1CCNC1=O ZINC000442963097 500653891 /nfs/dbraw/zinc/65/38/91/500653891.db2.gz FFYANRKCVVRYSK-INIZCTEOSA-N 1 1 373.384 3.237 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H](c3ccccc3)C3(CO)CCC3)nc2c1 ZINC000433323796 500672602 /nfs/dbraw/zinc/67/26/02/500672602.db2.gz YZHDJUDJDWCRMF-IBGZPJMESA-N 1 1 366.421 3.465 20 5 FGBDMO COc1cccc(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000437858767 500708185 /nfs/dbraw/zinc/70/81/85/500708185.db2.gz CTFSZOUQSBTFCR-HNNXBMFYSA-N 1 1 361.442 3.130 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000448428347 500760386 /nfs/dbraw/zinc/76/03/86/500760386.db2.gz ZOAOFMKSOWHAOF-AWEZNQCLSA-N 1 1 359.426 3.439 20 5 FGBDMO C[C@H]1C[C@H](C)[N@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000444229951 500820588 /nfs/dbraw/zinc/82/05/88/500820588.db2.gz WQPKWOOLMUYXRS-RYUDHWBXSA-N 1 1 360.439 3.387 20 5 FGBDMO C[C@H]1C[C@H](C)[N@@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000444229951 500820592 /nfs/dbraw/zinc/82/05/92/500820592.db2.gz WQPKWOOLMUYXRS-RYUDHWBXSA-N 1 1 360.439 3.387 20 5 FGBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000448847363 500850915 /nfs/dbraw/zinc/85/09/15/500850915.db2.gz WIEQGEMWUKIFAS-CYBMUJFWSA-N 1 1 367.421 3.127 20 5 FGBDMO C[C@@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444662131 500874649 /nfs/dbraw/zinc/87/46/49/500874649.db2.gz JADDADVJXFSABI-KPZWWZAWSA-N 1 1 352.394 3.295 20 5 FGBDMO C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444662131 500874652 /nfs/dbraw/zinc/87/46/52/500874652.db2.gz JADDADVJXFSABI-KPZWWZAWSA-N 1 1 352.394 3.295 20 5 FGBDMO CC[C@@H](O)C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccccc1 ZINC000444668896 500876203 /nfs/dbraw/zinc/87/62/03/500876203.db2.gz CIOAGFNWSJDCKB-MRXNPFEDSA-N 1 1 354.410 3.244 20 5 FGBDMO CC[C@@H](O)C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccccc1 ZINC000444668896 500876204 /nfs/dbraw/zinc/87/62/04/500876204.db2.gz CIOAGFNWSJDCKB-MRXNPFEDSA-N 1 1 354.410 3.244 20 5 FGBDMO C[N@@H+](Cc1cc(Cl)ccc1F)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000444703020 500883143 /nfs/dbraw/zinc/88/31/43/500883143.db2.gz KHQUWKRGQRXMPM-HNNXBMFYSA-N 1 1 368.792 3.259 20 5 FGBDMO C[N@H+](Cc1cc(Cl)ccc1F)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000444703020 500883148 /nfs/dbraw/zinc/88/31/48/500883148.db2.gz KHQUWKRGQRXMPM-HNNXBMFYSA-N 1 1 368.792 3.259 20 5 FGBDMO Cc1ccc([C@@]2(C)CC[N@@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000434743821 500887379 /nfs/dbraw/zinc/88/73/79/500887379.db2.gz BYXUXQLNGIQNPS-FPOVZHCZSA-N 1 1 370.449 3.307 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000444721597 500887595 /nfs/dbraw/zinc/88/75/95/500887595.db2.gz WIOLDNSPAUPUKK-IAQYHMDHSA-N 1 1 362.348 3.129 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000444721597 500887596 /nfs/dbraw/zinc/88/75/96/500887596.db2.gz WIOLDNSPAUPUKK-IAQYHMDHSA-N 1 1 362.348 3.129 20 5 FGBDMO CCOc1cc(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000444729683 500889882 /nfs/dbraw/zinc/88/98/82/500889882.db2.gz SERJTWIKQWPTFH-WFASDCNBSA-N 1 1 362.348 3.129 20 5 FGBDMO CCOc1cc(C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000444729683 500889886 /nfs/dbraw/zinc/88/98/86/500889886.db2.gz SERJTWIKQWPTFH-WFASDCNBSA-N 1 1 362.348 3.129 20 5 FGBDMO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000439960751 500959897 /nfs/dbraw/zinc/95/98/97/500959897.db2.gz KWQILRZTGNSJBB-LJQANCHMSA-N 1 1 359.470 3.441 20 5 FGBDMO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000439960749 500960005 /nfs/dbraw/zinc/96/00/05/500960005.db2.gz KWQILRZTGNSJBB-IBGZPJMESA-N 1 1 359.470 3.441 20 5 FGBDMO CCC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000440308682 500994884 /nfs/dbraw/zinc/99/48/84/500994884.db2.gz SQRYZSOECNJSHA-INIZCTEOSA-N 1 1 352.431 3.263 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000440334109 500998060 /nfs/dbraw/zinc/99/80/60/500998060.db2.gz CNIMDTSUAAANCB-UHFFFAOYSA-N 1 1 356.407 3.412 20 5 FGBDMO Cc1ncsc1CC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000449466309 501009299 /nfs/dbraw/zinc/00/92/99/501009299.db2.gz FNVCKLKYNOYGJE-INIZCTEOSA-N 1 1 357.439 3.015 20 5 FGBDMO Cc1cc[nH+]c(N2CCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])CC2)c1 ZINC000436401651 501120860 /nfs/dbraw/zinc/12/08/60/501120860.db2.gz WYMFGDKRYHGPJA-UHFFFAOYSA-N 1 1 367.331 3.039 20 5 FGBDMO CCO[C@H]1C[C@H]([N@@H+](C)CCOc2ccc(OC)cc2[N+](=O)[O-])C1(C)C ZINC000441438260 501138895 /nfs/dbraw/zinc/13/88/95/501138895.db2.gz JAFIMRCUWCGBFL-IRXDYDNUSA-N 1 1 352.431 3.118 20 5 FGBDMO COc1cc(NCCc2cn3c([nH+]2)CCCC3)c(Cl)cc1[N+](=O)[O-] ZINC000596073412 506241363 /nfs/dbraw/zinc/24/13/63/506241363.db2.gz OBYZLOYJQZCMEX-UHFFFAOYSA-N 1 1 350.806 3.444 20 5 FGBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000451076140 501243498 /nfs/dbraw/zinc/24/34/98/501243498.db2.gz FGCOURQRLIOTKA-AWEZNQCLSA-N 1 1 367.396 3.178 20 5 FGBDMO CCN(CCOC)c1cccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000451101561 501245790 /nfs/dbraw/zinc/24/57/90/501245790.db2.gz DOCFRDKQQKPDON-HNNXBMFYSA-N 1 1 358.442 3.313 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)CCc1ccccc1C ZINC000451171852 501249788 /nfs/dbraw/zinc/24/97/88/501249788.db2.gz UJVAHBOOGGCQBV-HNNXBMFYSA-N 1 1 371.437 3.413 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCn1c[nH+]c2c1C[C@H](C)[C@@H](C)C2 ZINC000451346679 501271549 /nfs/dbraw/zinc/27/15/49/501271549.db2.gz UPAZQMSPRRXMNL-KBPBESRZSA-N 1 1 356.426 3.499 20 5 FGBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000457781056 501307681 /nfs/dbraw/zinc/30/76/81/501307681.db2.gz GXERSLMVWHVOEJ-YQVWRLOYSA-N 1 1 372.469 3.111 20 5 FGBDMO NC(=O)[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548452 501319649 /nfs/dbraw/zinc/31/96/49/501319649.db2.gz NIHCWIJEJZKREC-MAUKXSAKSA-N 1 1 357.385 3.140 20 5 FGBDMO NC(=O)[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548452 501319652 /nfs/dbraw/zinc/31/96/52/501319652.db2.gz NIHCWIJEJZKREC-MAUKXSAKSA-N 1 1 357.385 3.140 20 5 FGBDMO COC(=O)c1c(Cl)c(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000596082126 506246860 /nfs/dbraw/zinc/24/68/60/506246860.db2.gz GYDRFTWPJNSEHA-MNOVXSKESA-N 1 1 353.806 3.074 20 5 FGBDMO CO[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C12CCC2 ZINC000451854475 501386502 /nfs/dbraw/zinc/38/65/02/501386502.db2.gz QVPRAHOZEQEAOX-IRXDYDNUSA-N 1 1 361.442 3.121 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000452175610 501453829 /nfs/dbraw/zinc/45/38/29/501453829.db2.gz UBUPTJXTPYRCIN-ZDUSSCGKSA-N 1 1 363.483 3.263 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000452580735 501526593 /nfs/dbraw/zinc/52/65/93/501526593.db2.gz QQBKZGROSNTBKR-NSHDSACASA-N 1 1 351.834 3.113 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000582506769 506261603 /nfs/dbraw/zinc/26/16/03/506261603.db2.gz RPTDALAAMBYSCE-DNVCBOLYSA-N 1 1 353.422 3.296 20 5 FGBDMO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000454584286 501584127 /nfs/dbraw/zinc/58/41/27/501584127.db2.gz RNJUDIFUABWBEO-WMLDXEAASA-N 1 1 360.458 3.220 20 5 FGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611701680 506262646 /nfs/dbraw/zinc/26/26/46/506262646.db2.gz PSHNLOKGKQVWMC-LZWOXQAQSA-N 1 1 355.442 3.380 20 5 FGBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCN(CC(F)(F)F)CC1 ZINC000602685791 506262943 /nfs/dbraw/zinc/26/29/43/506262943.db2.gz MGSVTTCOPOLRTL-UHFFFAOYSA-N 1 1 372.347 3.195 20 5 FGBDMO C[N@@H+](CCCCNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])C1CC1 ZINC000457161751 501660053 /nfs/dbraw/zinc/66/00/53/501660053.db2.gz DQJRDCBNOYUQAJ-UHFFFAOYSA-N 1 1 368.437 3.261 20 5 FGBDMO C[N@@H+](CCCCNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)C1CC1 ZINC000457161009 501660099 /nfs/dbraw/zinc/66/00/99/501660099.db2.gz CEZDMUUFIRSSBL-UHFFFAOYSA-N 1 1 359.348 3.218 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000457174799 501661773 /nfs/dbraw/zinc/66/17/73/501661773.db2.gz WULQYGOFYRAUPH-UHFFFAOYSA-N 1 1 351.472 3.311 20 5 FGBDMO CNc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000592827528 506266618 /nfs/dbraw/zinc/26/66/18/506266618.db2.gz OLUVQHLKJJQLRJ-UHFFFAOYSA-N 1 1 369.425 3.195 20 5 FGBDMO C[C@@H]([NH2+][C@H](C)c1nc2c(s1)CCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000459641496 501691821 /nfs/dbraw/zinc/69/18/21/501691821.db2.gz YMBWRCVRDDMBEZ-GHMZBOCLSA-N 1 1 360.439 3.218 20 5 FGBDMO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000470665940 501759766 /nfs/dbraw/zinc/75/97/66/501759766.db2.gz GOCKQSWAJMBYIO-IBGZPJMESA-N 1 1 371.437 3.187 20 5 FGBDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000470665940 501759770 /nfs/dbraw/zinc/75/97/70/501759770.db2.gz GOCKQSWAJMBYIO-IBGZPJMESA-N 1 1 371.437 3.187 20 5 FGBDMO Cc1c(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000481461920 501782845 /nfs/dbraw/zinc/78/28/45/501782845.db2.gz CKULMROJPOILCA-IBGZPJMESA-N 1 1 371.412 3.323 20 5 FGBDMO Cc1c(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000481461920 501782848 /nfs/dbraw/zinc/78/28/48/501782848.db2.gz CKULMROJPOILCA-IBGZPJMESA-N 1 1 371.412 3.323 20 5 FGBDMO CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460318744 501790558 /nfs/dbraw/zinc/79/05/58/501790558.db2.gz RYPWQWCAFMHPDM-YOEHRIQHSA-N 1 1 372.473 3.182 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000481664125 501843220 /nfs/dbraw/zinc/84/32/20/501843220.db2.gz XRUHKRWHPOQVFM-OAHLLOKOSA-N 1 1 370.453 3.238 20 5 FGBDMO O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000460507012 501843232 /nfs/dbraw/zinc/84/32/32/501843232.db2.gz FGXPRJHVJGBZHM-IBGZPJMESA-N 1 1 367.449 3.166 20 5 FGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@]3(C2)OCc2ccccc23)cc1 ZINC000481679040 501847416 /nfs/dbraw/zinc/84/74/16/501847416.db2.gz WQGPUVSNIJBCLP-HXUWFJFHSA-N 1 1 354.406 3.495 20 5 FGBDMO COc1cc(CN2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000485553052 501857231 /nfs/dbraw/zinc/85/72/31/501857231.db2.gz RSQJEYSGVWLZMT-MRXNPFEDSA-N 1 1 355.438 3.310 20 5 FGBDMO CC[N@H+]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)C)CC1 ZINC000460580977 501867343 /nfs/dbraw/zinc/86/73/43/501867343.db2.gz GHZGYJHZXKQQBY-UHFFFAOYSA-N 1 1 372.473 3.041 20 5 FGBDMO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@H+]1Cc1ccccc1 ZINC000596151238 506282071 /nfs/dbraw/zinc/28/20/71/506282071.db2.gz BWZPZINWAYJDLU-WMLDXEAASA-N 1 1 368.437 3.159 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596156706 506285079 /nfs/dbraw/zinc/28/50/79/506285079.db2.gz WDKPZOHSMQHULZ-KSSFIOAISA-N 1 1 368.437 3.016 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000485888428 501977266 /nfs/dbraw/zinc/97/72/66/501977266.db2.gz KJLNOCCVGDHVSZ-VAMGGRTRSA-N 1 1 367.449 3.415 20 5 FGBDMO Cc1c(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000475320577 502133309 /nfs/dbraw/zinc/13/33/09/502133309.db2.gz KLHJIVDBFFXNSE-KRWDZBQOSA-N 1 1 353.422 3.250 20 5 FGBDMO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000468753136 502170379 /nfs/dbraw/zinc/17/03/79/502170379.db2.gz ADAQKAWDLKUPOP-MRXNPFEDSA-N 1 1 351.834 3.271 20 5 FGBDMO Cc1cc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)c(F)cc1[N+](=O)[O-] ZINC000461780014 502199187 /nfs/dbraw/zinc/19/91/87/502199187.db2.gz MGENPVQLIZDLGQ-IYBDPMFKSA-N 1 1 364.465 3.037 20 5 FGBDMO CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@@](C)(C(N)=O)C2)cc1[N+](=O)[O-] ZINC000475674407 502250648 /nfs/dbraw/zinc/25/06/48/502250648.db2.gz PYBRLHCSGZQMRM-HXUWFJFHSA-N 1 1 368.437 3.060 20 5 FGBDMO CC[C@@H]1CCC[N@@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CC1 ZINC000475703900 502258330 /nfs/dbraw/zinc/25/83/30/502258330.db2.gz QGQYQOAHPBSRQO-CQSZACIVSA-N 1 1 350.415 3.159 20 5 FGBDMO Cc1cc(N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)c(F)cc1[N+](=O)[O-] ZINC000461972466 502258821 /nfs/dbraw/zinc/25/88/21/502258821.db2.gz ZJZYKSCOWUMRRP-HNNXBMFYSA-N 1 1 373.432 3.060 20 5 FGBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)CC1CCC1 ZINC000483116875 502278837 /nfs/dbraw/zinc/27/88/37/502278837.db2.gz HUTIQVRDMJAFDK-UHFFFAOYSA-N 1 1 370.247 3.418 20 5 FGBDMO COCC[N@@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])[C@@H]1CC[C@@H](C)C1 ZINC000483402814 502375587 /nfs/dbraw/zinc/37/55/87/502375587.db2.gz HFJYYWFLYTUEOV-UKRRQHHQSA-N 1 1 352.431 3.249 20 5 FGBDMO Cc1noc(C[N@H+]2CCC[C@@H](Cn3cnc4ccccc43)C2)c1[N+](=O)[O-] ZINC000602814219 506311302 /nfs/dbraw/zinc/31/13/02/506311302.db2.gz YGUXUQMLGIRYJN-CQSZACIVSA-N 1 1 355.398 3.153 20 5 FGBDMO C[N@H+]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C2(CCCCC2)C1 ZINC000480065937 502462922 /nfs/dbraw/zinc/46/29/22/502462922.db2.gz KWYISXMNPRWDCD-UHFFFAOYSA-N 1 1 370.453 3.026 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000462693755 502535487 /nfs/dbraw/zinc/53/54/87/502535487.db2.gz ZNYBOXJHVAQWDG-RHSMWYFYSA-N 1 1 363.421 3.470 20 5 FGBDMO C[C@H](NC(=O)CC[N@H+]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000473333448 502567690 /nfs/dbraw/zinc/56/76/90/502567690.db2.gz ZYYCOLAMOXTTLM-HNNXBMFYSA-N 1 1 353.422 3.220 20 5 FGBDMO Cc1cc(CNc2c3ccccc3ncc2[N+](=O)[O-])cc(N2CCCC2)[nH+]1 ZINC000487994057 502593821 /nfs/dbraw/zinc/59/38/21/502593821.db2.gz XNADUCDMSGZPEM-UHFFFAOYSA-N 1 1 363.421 3.481 20 5 FGBDMO C[C@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C[N@H+]1Cc1ccccc1 ZINC000466538470 502600753 /nfs/dbraw/zinc/60/07/53/502600753.db2.gz HGWIRKSFIBMIDV-YOEHRIQHSA-N 1 1 354.410 3.379 20 5 FGBDMO CCCCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1(C)C ZINC000477058894 502664895 /nfs/dbraw/zinc/66/48/95/502664895.db2.gz QOCCPMSSXIGYSV-DLBZAZTESA-N 1 1 363.458 3.109 20 5 FGBDMO COC(=O)[C@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H]1C ZINC000470149979 502680387 /nfs/dbraw/zinc/68/03/87/502680387.db2.gz VMVOUZUTEBYSNY-NHYWBVRUSA-N 1 1 361.423 3.102 20 5 FGBDMO COC(=O)[C@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H]1C ZINC000470149979 502680393 /nfs/dbraw/zinc/68/03/93/502680393.db2.gz VMVOUZUTEBYSNY-NHYWBVRUSA-N 1 1 361.423 3.102 20 5 FGBDMO O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000470169413 502691024 /nfs/dbraw/zinc/69/10/24/502691024.db2.gz XUVKTMHGFWEQLZ-AWEZNQCLSA-N 1 1 371.359 3.360 20 5 FGBDMO CNC(=O)c1ccc(C[N@@H+](C)C/C(C)=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000470172764 502693052 /nfs/dbraw/zinc/69/30/52/502693052.db2.gz BNKTUPPFEPIWCK-RVDMUPIBSA-N 1 1 353.422 3.490 20 5 FGBDMO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000470204498 502705047 /nfs/dbraw/zinc/70/50/47/502705047.db2.gz VNZTYYOOVWEVMS-PTNGSMBKSA-N 1 1 367.453 3.421 20 5 FGBDMO CC(C)(C)Oc1cc(NCC[N@@H+]2CCOC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000484866294 502759164 /nfs/dbraw/zinc/75/91/64/502759164.db2.gz SDDQMUVUQLJJMF-UHFFFAOYSA-N 1 1 351.447 3.295 20 5 FGBDMO CC(C)(C)Oc1cc(NCC[N@H+]2CCOC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000484866294 502759168 /nfs/dbraw/zinc/75/91/68/502759168.db2.gz SDDQMUVUQLJJMF-UHFFFAOYSA-N 1 1 351.447 3.295 20 5 FGBDMO COCC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CC[C@@H](C)C1 ZINC000484877749 502763675 /nfs/dbraw/zinc/76/36/75/502763675.db2.gz GAWDINOFGTYDRR-HUUCEWRRSA-N 1 1 352.431 3.119 20 5 FGBDMO COCC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CC[C@H](C)C1 ZINC000484897004 502768316 /nfs/dbraw/zinc/76/83/16/502768316.db2.gz ZVCOJDMPETUMCQ-BBRMVZONSA-N 1 1 360.414 3.282 20 5 FGBDMO CC(C)NC(=O)c1ccc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000488760705 502805432 /nfs/dbraw/zinc/80/54/32/502805432.db2.gz AIVQBNKIDRMRNN-HNNXBMFYSA-N 1 1 374.485 3.044 20 5 FGBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000513002813 502829186 /nfs/dbraw/zinc/82/91/86/502829186.db2.gz CSNNSBLILAZFAT-HXUWFJFHSA-N 1 1 367.449 3.260 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000509154061 502834818 /nfs/dbraw/zinc/83/48/18/502834818.db2.gz HQRDVIPBNVASOX-ZDUSSCGKSA-N 1 1 351.472 3.263 20 5 FGBDMO Cn1c(C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)ccc1[N+](=O)[O-] ZINC000509210879 502849540 /nfs/dbraw/zinc/84/95/40/502849540.db2.gz LWEHRRYVLGQFMM-UHFFFAOYSA-N 1 1 363.443 3.018 20 5 FGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)c1 ZINC000488974861 502851614 /nfs/dbraw/zinc/85/16/14/502851614.db2.gz WCGKNEWVPFVCAD-MRXNPFEDSA-N 1 1 361.373 3.051 20 5 FGBDMO Cc1[nH+]ccn1CCCNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000509430696 502900720 /nfs/dbraw/zinc/90/07/20/502900720.db2.gz QJMQBPHVFOPRFT-UHFFFAOYSA-N 1 1 355.373 3.225 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)c1 ZINC000593021242 506341204 /nfs/dbraw/zinc/34/12/04/506341204.db2.gz RYJHZAGKTNOSBD-LBPRGKRZSA-N 1 1 371.393 3.191 20 5 FGBDMO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc2c(c1)OCO2 ZINC000509611037 502947512 /nfs/dbraw/zinc/94/75/12/502947512.db2.gz YTHLPLZFAUTIFL-LLVKDONJSA-N 1 1 358.350 3.041 20 5 FGBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000505612292 502950668 /nfs/dbraw/zinc/95/06/68/502950668.db2.gz REWWDZNKAYVQTI-AWEZNQCLSA-N 1 1 373.432 3.431 20 5 FGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000505612292 502950671 /nfs/dbraw/zinc/95/06/71/502950671.db2.gz REWWDZNKAYVQTI-AWEZNQCLSA-N 1 1 373.432 3.431 20 5 FGBDMO CC(C)[N@H+](Cc1cccs1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000513509692 502955515 /nfs/dbraw/zinc/95/55/15/502955515.db2.gz VDAHXPVNICKRCS-HNNXBMFYSA-N 1 1 350.440 3.307 20 5 FGBDMO COC(=O)[C@@H](CC(C)C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000509653581 502957630 /nfs/dbraw/zinc/95/76/30/502957630.db2.gz BAZSIXBRVXRKTG-QGZVFWFLSA-N 1 1 350.415 3.026 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000505804899 502990155 /nfs/dbraw/zinc/99/01/55/502990155.db2.gz IMIRGGNWVPKXDH-UONOGXRCSA-N 1 1 363.483 3.454 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](c3ccncc3)C2)c1 ZINC000593029846 506346024 /nfs/dbraw/zinc/34/60/24/506346024.db2.gz UZCJKDBXLFRDQJ-INIZCTEOSA-N 1 1 355.394 3.156 20 5 FGBDMO CN1CC[N@@H+](CCCNc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC000506052266 503037618 /nfs/dbraw/zinc/03/76/18/503037618.db2.gz RWWFRRAWQYTAQK-FQEVSTJZSA-N 1 1 354.454 3.386 20 5 FGBDMO C[N@@H+]1CCN(CCCNc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC000506052266 503037620 /nfs/dbraw/zinc/03/76/20/503037620.db2.gz RWWFRRAWQYTAQK-FQEVSTJZSA-N 1 1 354.454 3.386 20 5 FGBDMO C[N@H+]1CCN(CCCNc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC000506052266 503037622 /nfs/dbraw/zinc/03/76/22/503037622.db2.gz RWWFRRAWQYTAQK-FQEVSTJZSA-N 1 1 354.454 3.386 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1(C(F)F)CCCCC1 ZINC000510072950 503042625 /nfs/dbraw/zinc/04/26/25/503042625.db2.gz MZHAOEFZGRBIAY-UHFFFAOYSA-N 1 1 371.384 3.490 20 5 FGBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[N@H+]1CCCC[C@@H]1C ZINC000497924257 503067740 /nfs/dbraw/zinc/06/77/40/503067740.db2.gz HNMFIAQDQCCMCO-UONOGXRCSA-N 1 1 356.426 3.136 20 5 FGBDMO COc1ccc(OC)c([C@@H](C)[NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])c1 ZINC000510887347 503211520 /nfs/dbraw/zinc/21/15/20/503211520.db2.gz JJPLEBGDYAKYEN-CYBMUJFWSA-N 1 1 373.409 3.210 20 5 FGBDMO O=C(c1csc([N+](=O)[O-])c1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000507100944 503231340 /nfs/dbraw/zinc/23/13/40/503231340.db2.gz IMACREJLGPDODM-UHFFFAOYSA-N 1 1 373.478 3.437 20 5 FGBDMO C[C@H]1Cc2ccccc2N1C(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511060689 503245197 /nfs/dbraw/zinc/24/51/97/503245197.db2.gz UVMCVJHLPXEKPX-HNNXBMFYSA-N 1 1 353.422 3.047 20 5 FGBDMO C[C@H]1Cc2ccccc2N1C(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511060689 503245201 /nfs/dbraw/zinc/24/52/01/503245201.db2.gz UVMCVJHLPXEKPX-HNNXBMFYSA-N 1 1 353.422 3.047 20 5 FGBDMO C[C@]1(O)CCOC[C@@H]1[C@H]1CCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000498759454 503258367 /nfs/dbraw/zinc/25/83/67/503258367.db2.gz VUSJYFHSHPQOBK-XYPHTWIQSA-N 1 1 354.834 3.000 20 5 FGBDMO CCN(Cc1ccccc1)C(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511145622 503268127 /nfs/dbraw/zinc/26/81/27/503268127.db2.gz WLWGZIGXTOXPHD-UHFFFAOYSA-N 1 1 355.438 3.118 20 5 FGBDMO CCN(Cc1ccccc1)C(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511145622 503268131 /nfs/dbraw/zinc/26/81/31/503268131.db2.gz WLWGZIGXTOXPHD-UHFFFAOYSA-N 1 1 355.438 3.118 20 5 FGBDMO CCCCCNC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000491145836 503280058 /nfs/dbraw/zinc/28/00/58/503280058.db2.gz NGWWXNIVDHRHLI-UHFFFAOYSA-N 1 1 351.422 3.252 20 5 FGBDMO C[C@@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511252042 503287818 /nfs/dbraw/zinc/28/78/18/503287818.db2.gz KJIYDUDOGDONIN-KGLIPLIRSA-N 1 1 370.453 3.459 20 5 FGBDMO O=C(C[N@@H+]1CC[C@@H](C2CC2)C1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000491257292 503291438 /nfs/dbraw/zinc/29/14/38/503291438.db2.gz ZODOAVJZLCGIKK-CQSZACIVSA-N 1 1 372.450 3.389 20 5 FGBDMO O=C(C[N@H+]1CC[C@@H](C2CC2)C1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000491257292 503291440 /nfs/dbraw/zinc/29/14/40/503291440.db2.gz ZODOAVJZLCGIKK-CQSZACIVSA-N 1 1 372.450 3.389 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(CCF)CC1 ZINC000602948802 506363480 /nfs/dbraw/zinc/36/34/80/506363480.db2.gz ULEFHYZJYHINQY-LBPRGKRZSA-N 1 1 353.394 3.002 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000511487782 503330225 /nfs/dbraw/zinc/33/02/25/503330225.db2.gz DNUOKMSFMIGFHG-UHFFFAOYSA-N 1 1 353.422 3.251 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000511674165 503367385 /nfs/dbraw/zinc/36/73/85/503367385.db2.gz JSAUQPBUNXNSDA-ZDUSSCGKSA-N 1 1 369.347 3.034 20 5 FGBDMO C[N@H+](CCc1ccc(Cl)cc1)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000492422509 503369070 /nfs/dbraw/zinc/36/90/70/503369070.db2.gz KNHUOTRAYNIQRC-UHFFFAOYSA-N 1 1 373.840 3.312 20 5 FGBDMO C[N@@H+](CCc1ccc(Cl)cc1)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000492422509 503369073 /nfs/dbraw/zinc/36/90/73/503369073.db2.gz KNHUOTRAYNIQRC-UHFFFAOYSA-N 1 1 373.840 3.312 20 5 FGBDMO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)c1ccc(F)c(F)c1 ZINC000492947184 503396148 /nfs/dbraw/zinc/39/61/48/503396148.db2.gz AHDIDQFZTQOVHV-OAHLLOKOSA-N 1 1 352.337 3.359 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000507920789 503396254 /nfs/dbraw/zinc/39/62/54/503396254.db2.gz RRQPYYZELAHUNV-SFHVURJKSA-N 1 1 354.385 3.389 20 5 FGBDMO O=[N+]([O-])c1ccc(CN2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000593069762 506373115 /nfs/dbraw/zinc/37/31/15/506373115.db2.gz UNLYIPKWWRODOP-NHCUHLMSSA-N 1 1 367.449 3.070 20 5 FGBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CCc1nc(-c2ccccc2)no1 ZINC000512188245 503480723 /nfs/dbraw/zinc/48/07/23/503480723.db2.gz XLLVOQIYDPLDRG-UHFFFAOYSA-N 1 1 368.393 3.198 20 5 FGBDMO Cc1ccc2c(c1)C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CCO2 ZINC000512292175 503511051 /nfs/dbraw/zinc/51/10/51/503511051.db2.gz OKSKCWFVPSPYDU-UHFFFAOYSA-N 1 1 369.421 3.435 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@H](O)[C@H]4CCCC[C@H]43)co2)cc1 ZINC000602997963 506377486 /nfs/dbraw/zinc/37/74/86/506377486.db2.gz UYNLPVBOLZRGKC-KSZLIROESA-N 1 1 357.410 3.375 20 5 FGBDMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500071532 503545356 /nfs/dbraw/zinc/54/53/56/503545356.db2.gz WZZZUTFPXWQSEK-CQSZACIVSA-N 1 1 357.410 3.192 20 5 FGBDMO CCn1cc(C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C(C)C)cn1 ZINC000593079186 506380963 /nfs/dbraw/zinc/38/09/63/506380963.db2.gz HYEFKRWSRNFORJ-UHFFFAOYSA-N 1 1 359.430 3.050 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000504695173 503606429 /nfs/dbraw/zinc/60/64/29/503606429.db2.gz MXTVITRQUNXKQK-HOTGVXAUSA-N 1 1 362.813 3.435 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000504695173 503606436 /nfs/dbraw/zinc/60/64/36/503606436.db2.gz MXTVITRQUNXKQK-HOTGVXAUSA-N 1 1 362.813 3.435 20 5 FGBDMO C[C@H]1[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000516886574 503608818 /nfs/dbraw/zinc/60/88/18/503608818.db2.gz OLBISWYRNKRGJO-KBXCAEBGSA-N 1 1 354.410 3.379 20 5 FGBDMO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000500479069 503633159 /nfs/dbraw/zinc/63/31/59/503633159.db2.gz NEZGTFWUNZHRKX-BBRMVZONSA-N 1 1 373.457 3.102 20 5 FGBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000500558240 503646648 /nfs/dbraw/zinc/64/66/48/503646648.db2.gz DRSVCLIJSBLLIA-OWCLPIDISA-N 1 1 372.469 3.032 20 5 FGBDMO CC(C)[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1cccs1 ZINC000532926670 503658650 /nfs/dbraw/zinc/65/86/50/503658650.db2.gz SSLRQGGZXDSBBE-UHFFFAOYSA-N 1 1 359.451 3.456 20 5 FGBDMO CC(C)[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1cccs1 ZINC000532926670 503658655 /nfs/dbraw/zinc/65/86/55/503658655.db2.gz SSLRQGGZXDSBBE-UHFFFAOYSA-N 1 1 359.451 3.456 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCN(C)c1ccccc1 ZINC000532961155 503677449 /nfs/dbraw/zinc/67/74/49/503677449.db2.gz DWOHOFDFWCYAKG-UHFFFAOYSA-N 1 1 370.453 3.300 20 5 FGBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000533142167 503743173 /nfs/dbraw/zinc/74/31/73/503743173.db2.gz IYXNHPVIZXFHAW-UHFFFAOYSA-N 1 1 359.401 3.374 20 5 FGBDMO CCc1ccc([C@H](N[C@H]2CC[N@@H+](CCOC)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543402652 503755608 /nfs/dbraw/zinc/75/56/08/503755608.db2.gz LXNJCUOSEZSFBR-OXJNMPFZSA-N 1 1 373.453 3.150 20 5 FGBDMO CCc1ccc([C@H]([NH2+][C@H]2CCN(CCOC)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543402652 503755611 /nfs/dbraw/zinc/75/56/11/503755611.db2.gz LXNJCUOSEZSFBR-OXJNMPFZSA-N 1 1 373.453 3.150 20 5 FGBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000517556186 503770119 /nfs/dbraw/zinc/77/01/19/503770119.db2.gz JXPAARURGJBDRY-CQSZACIVSA-N 1 1 355.394 3.163 20 5 FGBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000517556186 503770124 /nfs/dbraw/zinc/77/01/24/503770124.db2.gz JXPAARURGJBDRY-CQSZACIVSA-N 1 1 355.394 3.163 20 5 FGBDMO CCN1CC[C@@H]([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000533310239 503803839 /nfs/dbraw/zinc/80/38/39/503803839.db2.gz FHPQHYSFBFAUAI-JKSUJKDBSA-N 1 1 362.474 3.036 20 5 FGBDMO CCN1CC[C@@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000533310239 503803846 /nfs/dbraw/zinc/80/38/46/503803846.db2.gz FHPQHYSFBFAUAI-JKSUJKDBSA-N 1 1 362.474 3.036 20 5 FGBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000517676946 503804227 /nfs/dbraw/zinc/80/42/27/503804227.db2.gz UTHGCFAZUSJBOG-JSGCOSHPSA-N 1 1 369.849 3.006 20 5 FGBDMO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000533435868 503844793 /nfs/dbraw/zinc/84/47/93/503844793.db2.gz LUCLRQAOYCPGBL-YJBOKZPZSA-N 1 1 365.433 3.362 20 5 FGBDMO CC(C)(C)[N@H+]1CCCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000543798881 503897114 /nfs/dbraw/zinc/89/71/14/503897114.db2.gz JVRSSDMJSUZVLX-UHFFFAOYSA-N 1 1 371.384 3.143 20 5 FGBDMO COc1cc(CO[C@H](C)Cc2[nH]cc[nH+]2)c([N+](=O)[O-])cc1OCC(F)F ZINC000543959407 503952040 /nfs/dbraw/zinc/95/20/40/503952040.db2.gz UXZNQRDWLHWBKC-SNVBAGLBSA-N 1 1 371.340 3.118 20 5 FGBDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000533830640 503964160 /nfs/dbraw/zinc/96/41/60/503964160.db2.gz AMLQEXUMCARMOF-IBGZPJMESA-N 1 1 368.437 3.090 20 5 FGBDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000533830640 503964165 /nfs/dbraw/zinc/96/41/65/503964165.db2.gz AMLQEXUMCARMOF-IBGZPJMESA-N 1 1 368.437 3.090 20 5 FGBDMO C[C@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C)C1 ZINC000541014662 503975020 /nfs/dbraw/zinc/97/50/20/503975020.db2.gz YLATWDJGGWWJMF-NWDGAFQWSA-N 1 1 371.384 3.046 20 5 FGBDMO COc1ccc(C[NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000533922840 503991481 /nfs/dbraw/zinc/99/14/81/503991481.db2.gz VOZLTPRPPILLFU-AWEZNQCLSA-N 1 1 370.327 3.445 20 5 FGBDMO Cc1ccccc1C[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000541347838 504100121 /nfs/dbraw/zinc/10/01/21/504100121.db2.gz SNODBBHBWFDXJK-RBUKOAKNSA-N 1 1 370.449 3.350 20 5 FGBDMO C[C@@H](CCNc1ncnc2cccc([N+](=O)[O-])c21)[N@@H+](C)Cc1ccccc1 ZINC000544393914 504115855 /nfs/dbraw/zinc/11/58/55/504115855.db2.gz AWTMXSFWVLJMRM-HNNXBMFYSA-N 1 1 365.437 3.282 20 5 FGBDMO CC[N@@H+](CCC1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1)CC(C)C ZINC000538034251 504120074 /nfs/dbraw/zinc/12/00/74/504120074.db2.gz DGEAREBCXXKQFI-UHFFFAOYSA-N 1 1 350.463 3.143 20 5 FGBDMO C[C@@H](Cc1ccccc1)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000544408020 504121813 /nfs/dbraw/zinc/12/18/13/504121813.db2.gz PDPYAXSBWJXUIM-HNNXBMFYSA-N 1 1 373.478 3.293 20 5 FGBDMO COc1cc(C[NH2+][C@@H](c2nnc3ccccn32)C(C)C)ccc1[N+](=O)[O-] ZINC000544432315 504131677 /nfs/dbraw/zinc/13/16/77/504131677.db2.gz BVRUJSIOOBMUDX-QGZVFWFLSA-N 1 1 355.398 3.133 20 5 FGBDMO COCC[C@H]([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000541646795 504210006 /nfs/dbraw/zinc/21/00/06/504210006.db2.gz FYEPVDCAESOTDP-AWEZNQCLSA-N 1 1 361.398 3.111 20 5 FGBDMO CC(C)n1cc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000541645365 504210040 /nfs/dbraw/zinc/21/00/40/504210040.db2.gz ZTFQAZMAMUOALL-LLVKDONJSA-N 1 1 365.821 3.315 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000538626986 504308361 /nfs/dbraw/zinc/30/83/61/504308361.db2.gz CCUPRVWUHIPKBP-GOSISDBHSA-N 1 1 361.442 3.123 20 5 FGBDMO CCCCOC1CC[NH+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000538723749 504344855 /nfs/dbraw/zinc/34/48/55/504344855.db2.gz WVVQUSKWTACUNN-UHFFFAOYSA-N 1 1 352.431 3.393 20 5 FGBDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccc([N+](=O)[O-])cn3)cc2)C1 ZINC000531624093 504367876 /nfs/dbraw/zinc/36/78/76/504367876.db2.gz SNXAYYDGEOBKPH-HNNXBMFYSA-N 1 1 368.437 3.152 20 5 FGBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCCc2ccccc21 ZINC000542209674 504406675 /nfs/dbraw/zinc/40/66/75/504406675.db2.gz LGPFJGSFEJPJBW-FUHWJXTLSA-N 1 1 356.422 3.344 20 5 FGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000539186597 504494227 /nfs/dbraw/zinc/49/42/27/504494227.db2.gz MTSNWOQMAFJEJX-MJBXVCDLSA-N 1 1 371.441 3.085 20 5 FGBDMO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000535703293 504512280 /nfs/dbraw/zinc/51/22/80/504512280.db2.gz XYSIINIBHHAAEZ-CXAGYDPISA-N 1 1 368.437 3.165 20 5 FGBDMO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000535703295 504512322 /nfs/dbraw/zinc/51/23/22/504512322.db2.gz XYSIINIBHHAAEZ-GUYCJALGSA-N 1 1 368.437 3.165 20 5 FGBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000536208046 504665403 /nfs/dbraw/zinc/66/54/03/504665403.db2.gz DALWWJPBRPEQSQ-QGZVFWFLSA-N 1 1 372.469 3.389 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@H](Cc3ccccc3)C2)c1 ZINC000521588797 504761399 /nfs/dbraw/zinc/76/13/99/504761399.db2.gz KCUMFBBBPXYXHU-UYAOXDASSA-N 1 1 370.449 3.289 20 5 FGBDMO Cc1c(CNC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000565191688 504821901 /nfs/dbraw/zinc/82/19/01/504821901.db2.gz SSBGXFXYWKLTKW-GOSISDBHSA-N 1 1 353.422 3.042 20 5 FGBDMO CNc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000562447007 504823265 /nfs/dbraw/zinc/82/32/65/504823265.db2.gz SBEQTFRFWILSJY-INIZCTEOSA-N 1 1 360.458 3.163 20 5 FGBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549529434 504843330 /nfs/dbraw/zinc/84/33/30/504843330.db2.gz UKNPMUFGQBFDGW-JTQLQIEISA-N 1 1 370.331 3.185 20 5 FGBDMO COCCO[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000549531890 504844143 /nfs/dbraw/zinc/84/41/43/504844143.db2.gz KMKFGIDZYLKAHJ-AWEZNQCLSA-N 1 1 362.348 3.241 20 5 FGBDMO COCCO[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000549531890 504844145 /nfs/dbraw/zinc/84/41/45/504844145.db2.gz KMKFGIDZYLKAHJ-AWEZNQCLSA-N 1 1 362.348 3.241 20 5 FGBDMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000553172632 504844613 /nfs/dbraw/zinc/84/46/13/504844613.db2.gz WLNHTWLFUZKRHG-UHFFFAOYSA-N 1 1 365.389 3.297 20 5 FGBDMO Cc1ccccc1C[C@H](C)[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000562585622 504868709 /nfs/dbraw/zinc/86/87/09/504868709.db2.gz SYHPJMZCWFNFSK-WMZOPIPTSA-N 1 1 358.438 3.206 20 5 FGBDMO COc1cc(C[N@@H+]2CCCO[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000559498033 504876155 /nfs/dbraw/zinc/87/61/55/504876155.db2.gz TVILEAYKLFFCTC-MRXNPFEDSA-N 1 1 374.384 3.452 20 5 FGBDMO COc1cc(C[N@H+]2CCCO[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000559498033 504876156 /nfs/dbraw/zinc/87/61/56/504876156.db2.gz TVILEAYKLFFCTC-MRXNPFEDSA-N 1 1 374.384 3.452 20 5 FGBDMO COc1cc(C[N@H+]2CCCCC[C@H]2C[C@H](C)O)c([N+](=O)[O-])cc1OC ZINC000565800998 504990747 /nfs/dbraw/zinc/99/07/47/504990747.db2.gz JWOMUXPGJOZWNF-ZFWWWQNUSA-N 1 1 352.431 3.128 20 5 FGBDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000553743322 504997380 /nfs/dbraw/zinc/99/73/80/504997380.db2.gz HSOHHHFKYOGSRE-UHFFFAOYSA-N 1 1 373.453 3.446 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+]3CCC[C@H](CO)CC3)o2)c([N+](=O)[O-])c1 ZINC000556968421 505034342 /nfs/dbraw/zinc/03/43/42/505034342.db2.gz YXTWKVSRCNRFGR-AWEZNQCLSA-N 1 1 360.410 3.458 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCCC[C@@H]3C3(O)CC3)o2)c1 ZINC000563103047 505049256 /nfs/dbraw/zinc/04/92/56/505049256.db2.gz FQVWLDKXMBPFLT-QGZVFWFLSA-N 1 1 357.410 3.172 20 5 FGBDMO C[C@@H](CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)[N@H+]1CCCC[C@H]1C ZINC000560514256 505110345 /nfs/dbraw/zinc/11/03/45/505110345.db2.gz IVLAOFAQLQXUDY-JTDSTZFVSA-N 1 1 371.485 3.270 20 5 FGBDMO C[C@@]1(NC(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000566319498 505144045 /nfs/dbraw/zinc/14/40/45/505144045.db2.gz FTVPFNWQVARHEH-OAQYLSRUSA-N 1 1 367.449 3.308 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000560673593 505158672 /nfs/dbraw/zinc/15/86/72/505158672.db2.gz COSQEHIOXDPSHQ-HNNXBMFYSA-N 1 1 357.385 3.470 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000560673593 505158675 /nfs/dbraw/zinc/15/86/75/505158675.db2.gz COSQEHIOXDPSHQ-HNNXBMFYSA-N 1 1 357.385 3.470 20 5 FGBDMO CSc1cccc(C(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000557640638 505190783 /nfs/dbraw/zinc/19/07/83/505190783.db2.gz LKGSKXWXBWXGAJ-UHFFFAOYSA-N 1 1 371.462 3.273 20 5 FGBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000554789625 505265541 /nfs/dbraw/zinc/26/55/41/505265541.db2.gz VIAVJYINAKNOTK-ZDUSSCGKSA-N 1 1 353.438 3.248 20 5 FGBDMO CC[C@@H](C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)[N@@H+](C)Cc1ccccc1 ZINC000563923797 505277505 /nfs/dbraw/zinc/27/75/05/505277505.db2.gz YDMSDSGXCAYUJG-IBGZPJMESA-N 1 1 367.449 3.390 20 5 FGBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000564045098 505310187 /nfs/dbraw/zinc/31/01/87/505310187.db2.gz NEGHUNVIFXPFGF-CQSZACIVSA-N 1 1 373.457 3.011 20 5 FGBDMO CCC(=O)N1CC[C@H]([NH2+][C@H](c2ccc(CC)o2)c2ccc([N+](=O)[O-])cc2)C1 ZINC000558334723 505362278 /nfs/dbraw/zinc/36/22/78/505362278.db2.gz WZMUMMXMCJVFIM-YWZLYKJASA-N 1 1 371.437 3.440 20 5 FGBDMO CCC(=O)N1CC[C@@H]([NH2+][C@@H](c2ccc(CC)o2)c2ccc([N+](=O)[O-])cc2)C1 ZINC000558334715 505362303 /nfs/dbraw/zinc/36/23/03/505362303.db2.gz WZMUMMXMCJVFIM-FOIQADDNSA-N 1 1 371.437 3.440 20 5 FGBDMO COCCO[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000555339593 505411870 /nfs/dbraw/zinc/41/18/70/505411870.db2.gz GBNQTPHELCPMMG-QGZVFWFLSA-N 1 1 360.410 3.482 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000561773734 505434302 /nfs/dbraw/zinc/43/43/02/505434302.db2.gz IIHYAIZLJXXMQC-GOSISDBHSA-N 1 1 363.483 3.265 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]CCc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000552239492 505437026 /nfs/dbraw/zinc/43/70/26/505437026.db2.gz QLQZGXBGCURYDS-SFHVURJKSA-N 1 1 354.385 3.389 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]CCCOC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000552247490 505440832 /nfs/dbraw/zinc/44/08/32/505440832.db2.gz RFOKGPJWOMMBID-GOSISDBHSA-N 1 1 358.442 3.357 20 5 FGBDMO C[C@@H](NC(=O)[C@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000558739845 505478641 /nfs/dbraw/zinc/47/86/41/505478641.db2.gz QBELIWTYDCSBDX-CABCVRRESA-N 1 1 373.428 3.474 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000552514548 505505834 /nfs/dbraw/zinc/50/58/34/505505834.db2.gz GIDQTOLXEBQUQC-HNNXBMFYSA-N 1 1 357.385 3.470 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000552514548 505505837 /nfs/dbraw/zinc/50/58/37/505505837.db2.gz GIDQTOLXEBQUQC-HNNXBMFYSA-N 1 1 357.385 3.470 20 5 FGBDMO Cc1cc(NC2CC[NH+](CCN(C)C)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000558888117 505521145 /nfs/dbraw/zinc/52/11/45/505521145.db2.gz XDEMAROQFFDZOH-UHFFFAOYSA-N 1 1 374.407 3.360 20 5 FGBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000567647905 505524234 /nfs/dbraw/zinc/52/42/34/505524234.db2.gz FXKUWWJOTYSASJ-NSHDSACASA-N 1 1 359.373 3.046 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)c(Cl)c1 ZINC000596514911 506441474 /nfs/dbraw/zinc/44/14/74/506441474.db2.gz MWVODKBFEVMKER-HZPDHXFCSA-N 1 1 351.834 3.304 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)c2ccncc21 ZINC000596514723 506441759 /nfs/dbraw/zinc/44/17/59/506441759.db2.gz AOSATIBZCRYTAV-RTBURBONSA-N 1 1 368.437 3.198 20 5 FGBDMO COc1ccc(OCC[N@@H+]2CC(C)(C)[C@@H]2c2ccncc2)c([N+](=O)[O-])c1 ZINC000596590807 506476727 /nfs/dbraw/zinc/47/67/27/506476727.db2.gz GNMSQCSMESGJDC-SFHVURJKSA-N 1 1 357.410 3.460 20 5 FGBDMO COc1ccc(OCC[N@H+]2CC(C)(C)[C@@H]2c2ccncc2)c([N+](=O)[O-])c1 ZINC000596590807 506476730 /nfs/dbraw/zinc/47/67/30/506476730.db2.gz GNMSQCSMESGJDC-SFHVURJKSA-N 1 1 357.410 3.460 20 5 FGBDMO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000593225185 506479435 /nfs/dbraw/zinc/47/94/35/506479435.db2.gz CQGGDBFCHYZFCG-ARFHVFGLSA-N 1 1 370.453 3.057 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC3(CCOCC3)CC[C@@H]2CO)c(Cl)c1 ZINC000599543652 506493010 /nfs/dbraw/zinc/49/30/10/506493010.db2.gz VOLZTTALAKQOIB-OAHLLOKOSA-N 1 1 354.834 3.002 20 5 FGBDMO COCCC[N@@H+](C)CCOc1ccc(-c2cnc(C)c([N+](=O)[O-])c2)cc1 ZINC000596627928 506498314 /nfs/dbraw/zinc/49/83/14/506498314.db2.gz KAEAFBFDWHULEW-UHFFFAOYSA-N 1 1 359.426 3.312 20 5 FGBDMO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000603401151 506503424 /nfs/dbraw/zinc/50/34/24/506503424.db2.gz ZTQYOCFSCDLEEB-LSDHHAIUSA-N 1 1 371.384 3.107 20 5 FGBDMO C[C@]1(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000593338127 506553676 /nfs/dbraw/zinc/55/36/76/506553676.db2.gz WFUQUEWWADOUOP-FQEVSTJZSA-N 1 1 371.412 3.057 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000589496448 506567918 /nfs/dbraw/zinc/56/79/18/506567918.db2.gz VGADSKWTXFXGCL-INIZCTEOSA-N 1 1 354.406 3.446 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)CCCc2ccc(OC)cc2)c1 ZINC000589497118 506568339 /nfs/dbraw/zinc/56/83/39/506568339.db2.gz CIEHOHSERQOMND-UHFFFAOYSA-N 1 1 372.421 3.455 20 5 FGBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593445522 506622659 /nfs/dbraw/zinc/62/26/59/506622659.db2.gz ZBRMMMCTLNFKSE-INIZCTEOSA-N 1 1 351.422 3.047 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000599780322 506632622 /nfs/dbraw/zinc/63/26/22/506632622.db2.gz OTRWZWLQJVGTIT-HNNXBMFYSA-N 1 1 362.430 3.132 20 5 FGBDMO CCN1C[C@H](C[N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)Oc2ccccc21 ZINC000603855641 506637207 /nfs/dbraw/zinc/63/72/07/506637207.db2.gz SUFWXQIAOVGONP-SFHVURJKSA-N 1 1 355.438 3.357 20 5 FGBDMO Cc1[nH+]ccn1CCCN(C)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599831235 506663242 /nfs/dbraw/zinc/66/32/42/506663242.db2.gz JCFXKFJNKNPZOI-UHFFFAOYSA-N 1 1 368.397 3.202 20 5 FGBDMO Cc1cccc2[nH]c(C[N@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)cc21 ZINC000597012735 506731313 /nfs/dbraw/zinc/73/13/13/506731313.db2.gz BBYBUAFSEBHHNT-CQSZACIVSA-N 1 1 351.410 3.466 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@@H]4C[C@H]3C[S@@]4=O)o2)c(Cl)c1 ZINC000593689378 506733549 /nfs/dbraw/zinc/73/35/49/506733549.db2.gz TTWRUMZDSKCCMD-FVLHQSPCSA-N 1 1 366.826 3.213 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@@H]4C[C@H]3C[S@@]4=O)o2)c(Cl)c1 ZINC000593689378 506733551 /nfs/dbraw/zinc/73/35/51/506733551.db2.gz TTWRUMZDSKCCMD-FVLHQSPCSA-N 1 1 366.826 3.213 20 5 FGBDMO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000590424841 506820337 /nfs/dbraw/zinc/82/03/37/506820337.db2.gz WVDIMRCIXOQHFR-LJQANCHMSA-N 1 1 367.449 3.166 20 5 FGBDMO CC(C)(c1nc([C@@H]2C[N@@H+]3CCC[C@]3(C)CO2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000583531997 506829688 /nfs/dbraw/zinc/82/96/88/506829688.db2.gz GXZKJQGQMGDTAP-HNAYVOBHSA-N 1 1 372.425 3.230 20 5 FGBDMO CC(C)(c1nc([C@@H]2C[N@H+]3CCC[C@]3(C)CO2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000583531997 506829692 /nfs/dbraw/zinc/82/96/92/506829692.db2.gz GXZKJQGQMGDTAP-HNAYVOBHSA-N 1 1 372.425 3.230 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCN([C@H]4CCOC4)CC3)s2)cc1 ZINC000597202469 506831998 /nfs/dbraw/zinc/83/19/98/506831998.db2.gz CETJVHXAMIGERS-KRWDZBQOSA-N 1 1 373.478 3.230 20 5 FGBDMO O=C1CC[C@H]2C[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC[C@@H]2N1 ZINC000597204388 506833838 /nfs/dbraw/zinc/83/38/38/506833838.db2.gz AVWCYSQWYLARBZ-BBRMVZONSA-N 1 1 371.462 3.424 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@H](N(C)c3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000597224917 506846072 /nfs/dbraw/zinc/84/60/72/506846072.db2.gz UZYGJQVFVZGAFQ-KRWDZBQOSA-N 1 1 371.437 3.323 20 5 FGBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2-n2cc[nH+]c2C)c1 ZINC000604509920 506855861 /nfs/dbraw/zinc/85/58/61/506855861.db2.gz XNYCZNGKDNOTEY-UHFFFAOYSA-N 1 1 366.377 3.028 20 5 FGBDMO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000600228507 506859845 /nfs/dbraw/zinc/85/98/45/506859845.db2.gz CIJSWZCUGVEFAJ-SFHVURJKSA-N 1 1 373.453 3.081 20 5 FGBDMO CN(C)c1cc[nH+]cc1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000583580618 506860687 /nfs/dbraw/zinc/86/06/87/506860687.db2.gz BEICDJQYZHVFPV-UHFFFAOYSA-N 1 1 365.187 3.071 20 5 FGBDMO CC[NH+]1CCN(C[C@H](C)CNc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC000590575426 506866363 /nfs/dbraw/zinc/86/63/63/506866363.db2.gz ZEDHJJAYTUXSSY-CYBMUJFWSA-N 1 1 374.407 3.299 20 5 FGBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000590626068 506887561 /nfs/dbraw/zinc/88/75/61/506887561.db2.gz BATBYRCUFKPLGK-LLVKDONJSA-N 1 1 359.348 3.074 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@H](OC4CCC4)C3)o2)cc1 ZINC000594026923 506893261 /nfs/dbraw/zinc/89/32/61/506893261.db2.gz QFCQBJFBXFKGBF-INIZCTEOSA-N 1 1 358.398 3.178 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@H](OC4CCC4)C3)o2)cc1 ZINC000594026923 506893269 /nfs/dbraw/zinc/89/32/69/506893269.db2.gz QFCQBJFBXFKGBF-INIZCTEOSA-N 1 1 358.398 3.178 20 5 FGBDMO CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCN(c2ccccc2)C1=O ZINC000609488875 506898402 /nfs/dbraw/zinc/89/84/02/506898402.db2.gz CCQVDNDADGGPSR-SFHVURJKSA-N 1 1 369.421 3.101 20 5 FGBDMO C[N@H+]1CCCC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000600313893 506900007 /nfs/dbraw/zinc/90/00/07/506900007.db2.gz LDZWHYDZSWGNRA-LLVKDONJSA-N 1 1 359.348 3.075 20 5 FGBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000609530017 506909021 /nfs/dbraw/zinc/90/90/21/506909021.db2.gz GQCUUJIQYWJCDZ-AWEZNQCLSA-N 1 1 363.458 3.234 20 5 FGBDMO C[C@H](c1ccsc1)[NH+]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000613185734 506959021 /nfs/dbraw/zinc/95/90/21/506959021.db2.gz FEJUNKRCIJZSLO-CYBMUJFWSA-N 1 1 369.450 3.483 20 5 FGBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCCc2sccc2C1 ZINC000609767177 506993999 /nfs/dbraw/zinc/99/39/99/506993999.db2.gz FRIZUBPPMAXPIV-UHFFFAOYSA-N 1 1 373.434 3.403 20 5 FGBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000609783866 506999081 /nfs/dbraw/zinc/99/90/81/506999081.db2.gz ROWKDBYGTTZNAN-INIZCTEOSA-N 1 1 373.840 3.181 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594196775 507001585 /nfs/dbraw/zinc/00/15/85/507001585.db2.gz MNGRRQJRGJQDRC-BHIYHBOVSA-N 1 1 359.470 3.297 20 5 FGBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000594198644 507002351 /nfs/dbraw/zinc/00/23/51/507002351.db2.gz UDQDEAZXECPPIM-QWHCGFSZSA-N 1 1 371.359 3.360 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)c1 ZINC000609916494 507048478 /nfs/dbraw/zinc/04/84/78/507048478.db2.gz UMLDKHSQPHQJCW-LPHOPBHVSA-N 1 1 374.412 3.038 20 5 FGBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000594283359 507061650 /nfs/dbraw/zinc/06/16/50/507061650.db2.gz GMCUUBPTGDGZNL-RBUKOAKNSA-N 1 1 372.469 3.286 20 5 FGBDMO CC(C)(NC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000594283371 507062130 /nfs/dbraw/zinc/06/21/30/507062130.db2.gz GSDWRTRQUDZHBD-IRXDYDNUSA-N 1 1 360.458 3.146 20 5 FGBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594284480 507062900 /nfs/dbraw/zinc/06/29/00/507062900.db2.gz YXHADVCHKGUCDW-MJGOQNOKSA-N 1 1 372.469 3.286 20 5 FGBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594284478 507063857 /nfs/dbraw/zinc/06/38/57/507063857.db2.gz YXHADVCHKGUCDW-HKUYNNGSSA-N 1 1 372.469 3.286 20 5 FGBDMO COc1cc(C[NH+]2CC(Cc3ccc(F)cc3)C2)c([N+](=O)[O-])cc1OC ZINC000590968440 507066547 /nfs/dbraw/zinc/06/65/47/507066547.db2.gz NWWWHOYNGMZPNH-UHFFFAOYSA-N 1 1 360.385 3.426 20 5 FGBDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C2 ZINC000597716999 507072677 /nfs/dbraw/zinc/07/26/77/507072677.db2.gz VPETYWDATJEMSV-HXUWFJFHSA-N 1 1 359.470 3.450 20 5 FGBDMO COC[C@@H](CC(C)(C)C)[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000594514077 507164654 /nfs/dbraw/zinc/16/46/54/507164654.db2.gz GLQBWTWUYXWWKT-WBVHZDCISA-N 1 1 360.458 3.459 20 5 FGBDMO Cc1[nH+]cn(CCCCc2noc(COc3ccccc3[N+](=O)[O-])n2)c1C ZINC000594535581 507174688 /nfs/dbraw/zinc/17/46/88/507174688.db2.gz YYPBKPNRGFATPJ-UHFFFAOYSA-N 1 1 371.397 3.393 20 5 FGBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000610446404 507242815 /nfs/dbraw/zinc/24/28/15/507242815.db2.gz XFURUUHIBPIVIK-OAHLLOKOSA-N 1 1 371.412 3.471 20 5 FGBDMO O=C(CC1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1)N1CCCC1 ZINC000601105040 507263601 /nfs/dbraw/zinc/26/36/01/507263601.db2.gz RTSMLFPBXSOZLS-UHFFFAOYSA-N 1 1 368.437 3.372 20 5 FGBDMO Cc1ccccc1-n1cc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cn1 ZINC000601149340 507277595 /nfs/dbraw/zinc/27/75/95/507277595.db2.gz LRCQHTZHYGBHJY-FQEVSTJZSA-N 1 1 366.421 3.086 20 5 FGBDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000598195839 507308077 /nfs/dbraw/zinc/30/80/77/507308077.db2.gz UJOZNPLZYVRSAG-MRXNPFEDSA-N 1 1 359.451 3.045 20 5 FGBDMO C[C@H](CCNC(=O)c1c(F)cccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000601268988 507316263 /nfs/dbraw/zinc/31/62/63/507316263.db2.gz UKRPTEIZCZDNHZ-CQSZACIVSA-N 1 1 359.401 3.374 20 5 FGBDMO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000598218086 507323391 /nfs/dbraw/zinc/32/33/91/507323391.db2.gz FHTQCFWHQSKJRO-ZDUSSCGKSA-N 1 1 356.426 3.213 20 5 FGBDMO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000598221936 507325300 /nfs/dbraw/zinc/32/53/00/507325300.db2.gz ZBYFXFNJWKLRNG-ZYSHUDEJSA-N 1 1 357.454 3.222 20 5 FGBDMO COCC(=O)Nc1cccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000595003928 507350600 /nfs/dbraw/zinc/35/06/00/507350600.db2.gz NTPVMPRIIXFXSF-CYBMUJFWSA-N 1 1 373.409 3.039 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCc2ccccc2NC1=O ZINC000595045773 507366893 /nfs/dbraw/zinc/36/68/93/507366893.db2.gz GSFTYWSVVAQNCN-SJCJKPOMSA-N 1 1 355.394 3.208 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cnc(C(F)(F)F)nc1 ZINC000595060277 507371194 /nfs/dbraw/zinc/37/11/94/507371194.db2.gz MDAZUFPSNXUGIJ-SECBINFHSA-N 1 1 356.304 3.263 20 5 FGBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000584497859 507376823 /nfs/dbraw/zinc/37/68/23/507376823.db2.gz MWAPTEDEFQGHME-JTQLQIEISA-N 1 1 362.352 3.464 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000595096029 507389623 /nfs/dbraw/zinc/38/96/23/507389623.db2.gz YQGDGRPMNUKOIC-ZIAGYGMSSA-N 1 1 350.369 3.299 20 5 FGBDMO COc1ccccc1[C@@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000610944633 507450291 /nfs/dbraw/zinc/45/02/91/507450291.db2.gz CCHSKGVJUBVJLR-KRWDZBQOSA-N 1 1 369.421 3.430 20 5 FGBDMO COc1ccccc1[C@@H]1CCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000610944633 507450293 /nfs/dbraw/zinc/45/02/93/507450293.db2.gz CCHSKGVJUBVJLR-KRWDZBQOSA-N 1 1 369.421 3.430 20 5 FGBDMO Cc1noc(C[N@H+](C)CCCc2cc(-c3cccc(F)c3)n[nH]2)c1[N+](=O)[O-] ZINC000595315352 507457873 /nfs/dbraw/zinc/45/78/73/507457873.db2.gz MDRLKPWFDZQJJQ-UHFFFAOYSA-N 1 1 373.388 3.485 20 5 FGBDMO Cc1noc(C[N@@H+](C)CCCc2cc(-c3cccc(F)c3)n[nH]2)c1[N+](=O)[O-] ZINC000595315352 507457881 /nfs/dbraw/zinc/45/78/81/507457881.db2.gz MDRLKPWFDZQJJQ-UHFFFAOYSA-N 1 1 373.388 3.485 20 5 FGBDMO CCOC(=O)CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592130769 507496980 /nfs/dbraw/zinc/49/69/80/507496980.db2.gz NFUGZDLIYISLHS-QAQDUYKDSA-N 1 1 364.442 3.044 20 5 FGBDMO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3c(C)cccc3[N+](=O)[O-])C2)cc1 ZINC000601879818 507498544 /nfs/dbraw/zinc/49/85/44/507498544.db2.gz ACIJYKDDCHBJDB-QGZVFWFLSA-N 1 1 353.422 3.216 20 5 FGBDMO O=C(C[NH2+]C1(c2ccccc2F)CCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000592145003 507507474 /nfs/dbraw/zinc/50/74/74/507507474.db2.gz SCPCPOQBHRZBEX-UHFFFAOYSA-N 1 1 369.396 3.292 20 5 FGBDMO Cc1ccccc1OCC[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611253145 507581103 /nfs/dbraw/zinc/58/11/03/507581103.db2.gz BMBHMFKAQJQUMF-UHFFFAOYSA-N 1 1 358.394 3.185 20 5 FGBDMO Cc1ccccc1OCC[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611253145 507581110 /nfs/dbraw/zinc/58/11/10/507581110.db2.gz BMBHMFKAQJQUMF-UHFFFAOYSA-N 1 1 358.394 3.185 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@H](Nc3ccccc3)C1)OCCO2 ZINC000611274390 507599694 /nfs/dbraw/zinc/59/96/94/507599694.db2.gz QMZCUMKPHQYLLM-KRWDZBQOSA-N 1 1 369.421 3.443 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@H](Nc3ccccc3)C1)OCCO2 ZINC000611274390 507599700 /nfs/dbraw/zinc/59/97/00/507599700.db2.gz QMZCUMKPHQYLLM-KRWDZBQOSA-N 1 1 369.421 3.443 20 5 FGBDMO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C(C)(C)c1ccccc1 ZINC000585754295 507614642 /nfs/dbraw/zinc/61/46/42/507614642.db2.gz GAXLJOKLHNSLGZ-UHFFFAOYSA-N 1 1 371.393 3.129 20 5 FGBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCc1ccc2cn[nH]c2c1 ZINC000585765426 507620552 /nfs/dbraw/zinc/62/05/52/507620552.db2.gz CVSUDACZDFNJSL-CYBMUJFWSA-N 1 1 367.409 3.021 20 5 FGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000611350860 507635865 /nfs/dbraw/zinc/63/58/65/507635865.db2.gz VFKZCVPHFVGXHA-OWCLPIDISA-N 1 1 361.442 3.060 20 5 FGBDMO Cc1ccc([C@@H](CN2CCOCC2)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000611377024 507648147 /nfs/dbraw/zinc/64/81/47/507648147.db2.gz FIOAPRCWINHLFB-LJQANCHMSA-N 1 1 373.428 3.205 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000611402745 507663693 /nfs/dbraw/zinc/66/36/93/507663693.db2.gz SQCRMGBMLPQMNA-UHFFFAOYSA-N 1 1 363.483 3.406 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000595784875 507684024 /nfs/dbraw/zinc/68/40/24/507684024.db2.gz CEBPJIJCPOPBKB-SFHVURJKSA-N 1 1 361.442 3.123 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000595788387 507685945 /nfs/dbraw/zinc/68/59/45/507685945.db2.gz MZUIGNFNGTZLAE-SFHVURJKSA-N 1 1 361.442 3.123 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC2(CCCC2)OC[C@H]1C ZINC000595815622 507697093 /nfs/dbraw/zinc/69/70/93/507697093.db2.gz OVNUNFSUVMPGSL-OAHLLOKOSA-N 1 1 361.442 3.265 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CCCC[C@@H]2C2CCC2)cc1[N+](=O)[O-] ZINC000592529140 507697902 /nfs/dbraw/zinc/69/79/02/507697902.db2.gz LJSNICUUJUQKCC-MRXNPFEDSA-N 1 1 362.426 3.301 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@@H]3CCN(c4ccccc4)C3)C2)nc1 ZINC000602472099 507719116 /nfs/dbraw/zinc/71/91/16/507719116.db2.gz GQAQNTAJEOVFPU-DLBZAZTESA-N 1 1 367.453 3.003 20 5 FGBDMO O=[N+]([O-])c1ccc2oc(CN[C@@H]3CC[N@H+](Cc4ccccc4)C3)nc2c1 ZINC000602500322 507729867 /nfs/dbraw/zinc/72/98/67/507729867.db2.gz YYDYISIIPBLHTK-OAHLLOKOSA-N 1 1 352.394 3.100 20 5 FGBDMO O=[N+]([O-])c1ccc2oc(CN[C@@H]3CC[N@@H+](Cc4ccccc4)C3)nc2c1 ZINC000602500322 507729873 /nfs/dbraw/zinc/72/98/73/507729873.db2.gz YYDYISIIPBLHTK-OAHLLOKOSA-N 1 1 352.394 3.100 20 5 FGBDMO O=[N+]([O-])c1sc(CN[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1Br ZINC000602514707 507733642 /nfs/dbraw/zinc/73/36/42/507733642.db2.gz PPNRZCRPCFXWDS-NEPJUHHUSA-N 1 1 360.277 3.135 20 5 FGBDMO O=[N+]([O-])c1sc(C[NH2+][C@@H]2CCN3CCCC[C@@H]23)cc1Br ZINC000602514707 507733644 /nfs/dbraw/zinc/73/36/44/507733644.db2.gz PPNRZCRPCFXWDS-NEPJUHHUSA-N 1 1 360.277 3.135 20 5 FGBDMO Cc1ccc(CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)c(N2CCCC2)[nH+]1 ZINC000611572056 507745709 /nfs/dbraw/zinc/74/57/09/507745709.db2.gz CRXWCMFSCWLYJC-UHFFFAOYSA-N 1 1 354.410 3.137 20 5 FGBDMO C[C@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000824531350 609330056 /nfs/dbraw/zinc/33/00/56/609330056.db2.gz PCVAQDJOJDKZLU-QWRGUYRKSA-N 1 1 356.361 3.326 20 5 FGBDMO Cc1cc(F)cc(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000124403432 700719615 /nfs/dbraw/zinc/71/96/15/700719615.db2.gz WAULSPUHYWYFPY-AWEZNQCLSA-N 1 1 351.422 3.140 20 5 FGBDMO CS[C@@H]1CCCC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000134602542 704827563 /nfs/dbraw/zinc/82/75/63/704827563.db2.gz POYOFZGRYNOEFB-GFCCVEGCSA-N 1 1 357.863 3.404 20 5 FGBDMO CS[C@@H]1CCCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000134602542 704827566 /nfs/dbraw/zinc/82/75/66/704827566.db2.gz POYOFZGRYNOEFB-GFCCVEGCSA-N 1 1 357.863 3.404 20 5 FGBDMO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC[N@H+](C2CCCC2)CC1 ZINC000172419371 705417007 /nfs/dbraw/zinc/41/70/07/705417007.db2.gz FQYFNLLXDTZKTD-UHFFFAOYSA-N 1 1 351.834 3.339 20 5 FGBDMO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000374358796 713916543 /nfs/dbraw/zinc/91/65/43/713916543.db2.gz FZZLPMHBPAXBQW-YHWZYXNKSA-N 1 1 350.394 3.037 20 5 FGBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000524229561 714274191 /nfs/dbraw/zinc/27/41/91/714274191.db2.gz ZLAFRMHLBYOQDM-MJBXVCDLSA-N 1 1 367.877 3.273 20 5 FGBDMO C[C@H](c1ccsc1)[NH+]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765088344 723477736 /nfs/dbraw/zinc/47/77/36/723477736.db2.gz SCXFPOHKUJNKNR-RDTXWAMCSA-N 1 1 361.467 3.069 20 5 FGBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000769517018 723688576 /nfs/dbraw/zinc/68/85/76/723688576.db2.gz YGTISXKMJXFPPY-RYUDHWBXSA-N 1 1 355.232 3.216 20 5 FGBDMO Cc1nc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)ccc1[N+](=O)[O-] ZINC001164627545 719055176 /nfs/dbraw/zinc/05/51/76/719055176.db2.gz VVQBQLUZLDBNAA-MJGOQNOKSA-N 1 1 352.438 3.399 20 5 FGBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](OC)C2)cc1OC ZINC000782043698 724622155 /nfs/dbraw/zinc/62/21/55/724622155.db2.gz ZNOHREDNFOGFOE-UKRRQHHQSA-N 1 1 352.431 3.249 20 5 FGBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](OC)C2)cc1OC ZINC000782043698 724622157 /nfs/dbraw/zinc/62/21/57/724622157.db2.gz ZNOHREDNFOGFOE-UKRRQHHQSA-N 1 1 352.431 3.249 20 5 FGBDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc([N+](=O)[O-])ccn1)CC2 ZINC001164792488 721489906 /nfs/dbraw/zinc/48/99/06/721489906.db2.gz JSXCHYZZVQPJMP-UHFFFAOYSA-N 1 1 367.453 3.266 20 5 FGBDMO C[C@@H](CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@H](C)C1 ZINC000756935904 722972162 /nfs/dbraw/zinc/97/21/62/722972162.db2.gz BQULZYQGFHOPCT-STQMWFEESA-N 1 1 368.865 3.168 20 5 FGBDMO NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000760579783 723067374 /nfs/dbraw/zinc/06/73/74/723067374.db2.gz MJLLWVOIRSLGRE-OAHLLOKOSA-N 1 1 368.220 3.088 20 5 FGBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790583656 723155587 /nfs/dbraw/zinc/15/55/87/723155587.db2.gz NZKDPZNOAQSGEO-OAHLLOKOSA-N 1 1 371.840 3.166 20 5 FGBDMO C[C@@H]1C[N@@H+](CCCNc2cc(Br)ccc2[N+](=O)[O-])CCCO1 ZINC000763057675 723307270 /nfs/dbraw/zinc/30/72/70/723307270.db2.gz OCZFUUXMOYJIFI-GFCCVEGCSA-N 1 1 372.263 3.270 20 5 FGBDMO COC(=O)c1cc([N+](=O)[O-])c(NCCNc2cccc(C)[nH+]2)cc1Cl ZINC000765504381 723518259 /nfs/dbraw/zinc/51/82/59/723518259.db2.gz PVTWREZKTSBLSW-UHFFFAOYSA-N 1 1 364.789 3.262 20 5 FGBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)CCOC(C)(C)C ZINC000767906041 723639048 /nfs/dbraw/zinc/63/90/48/723639048.db2.gz SORYZIMSMOLIMQ-LLVKDONJSA-N 1 1 357.838 3.322 20 5 FGBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)CCOC(C)(C)C ZINC000767906041 723639050 /nfs/dbraw/zinc/63/90/50/723639050.db2.gz SORYZIMSMOLIMQ-LLVKDONJSA-N 1 1 357.838 3.322 20 5 FGBDMO COc1cc(F)c([N+](=O)[O-])c(NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000768535850 723660731 /nfs/dbraw/zinc/66/07/31/723660731.db2.gz QXQTVOVTDDIYSQ-BETUJISGSA-N 1 1 355.410 3.044 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)ccc1Br ZINC000770285151 723710398 /nfs/dbraw/zinc/71/03/98/723710398.db2.gz BGXXFPUIYZTYEJ-JSGCOSHPSA-N 1 1 355.232 3.358 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)ccc1Br ZINC000770285151 723710400 /nfs/dbraw/zinc/71/04/00/723710400.db2.gz BGXXFPUIYZTYEJ-JSGCOSHPSA-N 1 1 355.232 3.358 20 5 FGBDMO C[C@]1(CNC(=O)c2ccc([N+](=O)[O-])s2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798523758 723940549 /nfs/dbraw/zinc/94/05/49/723940549.db2.gz OULKPVWYUZVKKG-GOSISDBHSA-N 1 1 359.451 3.298 20 5 FGBDMO O=[N+]([O-])c1ccc(C[NH2+]C[C@@](O)(c2ccccc2)C(F)(F)F)c(F)c1 ZINC000778082444 724294301 /nfs/dbraw/zinc/29/43/01/724294301.db2.gz YAQNGOVCGOORKR-OAHLLOKOSA-N 1 1 358.291 3.274 20 5 FGBDMO Cn1ccnc1[C@@H]1CC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000809757867 725265663 /nfs/dbraw/zinc/26/56/63/725265663.db2.gz VCQHBAWPRPYSRL-LLVKDONJSA-N 1 1 365.231 3.080 20 5 FGBDMO C[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)[N@H+]1CCC[C@H](C)C1 ZINC000809919477 725276057 /nfs/dbraw/zinc/27/60/57/725276057.db2.gz KZJFLXOIAXIKAH-NWDGAFQWSA-N 1 1 354.838 3.490 20 5 FGBDMO O=C(O[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000810846130 725330847 /nfs/dbraw/zinc/33/08/47/725330847.db2.gz HSIIVCCLVOYDQZ-NWDGAFQWSA-N 1 1 358.316 3.397 20 5 FGBDMO Cc1ccc(N[C@@H]2CCc3[nH+]c[nH]c3C2)c([N+](=O)[O-])c1Br ZINC000811857288 725383211 /nfs/dbraw/zinc/38/32/11/725383211.db2.gz BHURMGFUXZHQJS-SECBINFHSA-N 1 1 351.204 3.358 20 5 FGBDMO Cc1ccc(N[C@@H]2CCc3[nH]c[nH+]c3C2)c([N+](=O)[O-])c1Br ZINC000811857288 725383212 /nfs/dbraw/zinc/38/32/12/725383212.db2.gz BHURMGFUXZHQJS-SECBINFHSA-N 1 1 351.204 3.358 20 5 FGBDMO O=C(C=C1CCSCC1)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813170842 726845976 /nfs/dbraw/zinc/84/59/76/726845976.db2.gz ZHQRHDRXLAHVTP-KRWDZBQOSA-N 1 1 362.451 3.166 20 5 FGBDMO O=C(C=C1CCSCC1)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813170842 726845978 /nfs/dbraw/zinc/84/59/78/726845978.db2.gz ZHQRHDRXLAHVTP-KRWDZBQOSA-N 1 1 362.451 3.166 20 5 FGBDMO O=C(NCc1c[nH+]c2n1CCCC2)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813250384 726855243 /nfs/dbraw/zinc/85/52/43/726855243.db2.gz ZKCRMTOBOOTJEX-UHFFFAOYSA-N 1 1 369.208 3.364 20 5 FGBDMO Cc1ccc(NCCCNC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)[nH+]c1 ZINC000825927023 729399606 /nfs/dbraw/zinc/39/96/06/729399606.db2.gz MLVQVSDCNQWDRJ-UHFFFAOYSA-N 1 1 362.817 3.492 20 5 FGBDMO Cc1cc(Cl)c(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000827397124 729429734 /nfs/dbraw/zinc/42/97/34/729429734.db2.gz ZKSPINQEDOIODM-MRXNPFEDSA-N 1 1 359.813 3.473 20 5 FGBDMO Cc1cc(Cl)c(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000827397124 729429735 /nfs/dbraw/zinc/42/97/35/729429735.db2.gz ZKSPINQEDOIODM-MRXNPFEDSA-N 1 1 359.813 3.473 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)cc1Cl ZINC000836785080 729969859 /nfs/dbraw/zinc/96/98/59/729969859.db2.gz LYSOKSOIRWBSQK-CYBMUJFWSA-N 1 1 351.834 3.303 20 5 FGBDMO O=[N+]([O-])c1cccc(Br)c1CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000843125255 730588759 /nfs/dbraw/zinc/58/87/59/730588759.db2.gz PIXDLKSWWRQRRF-QWHCGFSZSA-N 1 1 368.275 3.179 20 5 FGBDMO O=[N+]([O-])c1cccc(Br)c1CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000843125256 730588807 /nfs/dbraw/zinc/58/88/07/730588807.db2.gz PIXDLKSWWRQRRF-STQMWFEESA-N 1 1 368.275 3.179 20 5 FGBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000843768633 730653012 /nfs/dbraw/zinc/65/30/12/730653012.db2.gz ZMRNEPOPROJDPO-CYBMUJFWSA-N 1 1 351.422 3.284 20 5 FGBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000843779348 730653912 /nfs/dbraw/zinc/65/39/12/730653912.db2.gz XMGUXAYULQBTCN-UHFFFAOYSA-N 1 1 351.422 3.235 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844434794 730717049 /nfs/dbraw/zinc/71/70/49/730717049.db2.gz BQWZMSARJWIVIJ-INIZCTEOSA-N 1 1 353.369 3.353 20 5 FGBDMO O=C(CC[N@H+]1CCC[C@@]2(CC2(F)F)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000844442223 730719609 /nfs/dbraw/zinc/71/96/09/730719609.db2.gz XAQXJTRKNWMEMB-OAHLLOKOSA-N 1 1 357.332 3.184 20 5 FGBDMO C[C@H](CO)C1CC[NH+](Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000846056775 730924252 /nfs/dbraw/zinc/92/42/52/730924252.db2.gz AJXIMBNLRFTDSD-LLVKDONJSA-N 1 1 357.248 3.198 20 5 FGBDMO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000847182313 731029721 /nfs/dbraw/zinc/02/97/21/731029721.db2.gz XHCISOSXCCYCPO-DGCLKSJQSA-N 1 1 352.822 3.387 20 5 FGBDMO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000847255343 731041013 /nfs/dbraw/zinc/04/10/13/731041013.db2.gz KJQLPRSELTYDHW-GJZGRUSLSA-N 1 1 369.824 3.063 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]CCC1SCCS1)c1ccc([N+](=O)[O-])cc1 ZINC000850569000 731374295 /nfs/dbraw/zinc/37/42/95/731374295.db2.gz PVOKYAGHDDETKZ-HNNXBMFYSA-N 1 1 364.496 3.204 20 5 FGBDMO C[C@@H](CO)[C@H]1CCCC[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000852425367 731582509 /nfs/dbraw/zinc/58/25/09/731582509.db2.gz KBWJQBQJQBOONI-SMDDNHRTSA-N 1 1 357.248 3.340 20 5 FGBDMO C[C@@H](CO)[C@H]1CCCC[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000852425367 731582510 /nfs/dbraw/zinc/58/25/10/731582510.db2.gz KBWJQBQJQBOONI-SMDDNHRTSA-N 1 1 357.248 3.340 20 5 FGBDMO C[N@H+]1CCCC12CCN(c1cccc(Br)c1[N+](=O)[O-])CC2 ZINC000856739043 732050964 /nfs/dbraw/zinc/05/09/64/732050964.db2.gz VEMRVXJWMWULLF-UHFFFAOYSA-N 1 1 354.248 3.422 20 5 FGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC3(CCOCC3)CC[C@@H]2CO)c1 ZINC000859520428 732343120 /nfs/dbraw/zinc/34/31/20/732343120.db2.gz LNCGMUIRLGJQMT-OAHLLOKOSA-N 1 1 354.834 3.002 20 5 FGBDMO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H]2CCC[C@@H]21 ZINC000859950149 732421142 /nfs/dbraw/zinc/42/11/42/732421142.db2.gz ACNMVNVSRNLVJL-FMKPAKJESA-N 1 1 352.818 3.412 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H]2CCC[C@@H]21 ZINC000859950149 732421147 /nfs/dbraw/zinc/42/11/47/732421147.db2.gz ACNMVNVSRNLVJL-FMKPAKJESA-N 1 1 352.818 3.412 20 5 FGBDMO C[C@@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872027295 735578412 /nfs/dbraw/zinc/57/84/12/735578412.db2.gz IWKUQZNCCOAHHU-CYBMUJFWSA-N 1 1 366.414 3.249 20 5 FGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886796886 739301429 /nfs/dbraw/zinc/30/14/29/739301429.db2.gz LBJJVTOFYRCIDZ-OAHLLOKOSA-N 1 1 362.348 3.129 20 5 FGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886796886 739301436 /nfs/dbraw/zinc/30/14/36/739301436.db2.gz LBJJVTOFYRCIDZ-OAHLLOKOSA-N 1 1 362.348 3.129 20 5 FGBDMO CC[N@@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C[C@@H]1CCCO1 ZINC000878015389 736757622 /nfs/dbraw/zinc/75/76/22/736757622.db2.gz CFNXUCCOTJETEW-LBPRGKRZSA-N 1 1 366.805 3.299 20 5 FGBDMO CC[N@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C[C@@H]1CCCO1 ZINC000878015389 736757623 /nfs/dbraw/zinc/75/76/23/736757623.db2.gz CFNXUCCOTJETEW-LBPRGKRZSA-N 1 1 366.805 3.299 20 5 FGBDMO CO[C@@H]1C[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC[C@H]1C ZINC000878484449 736853305 /nfs/dbraw/zinc/85/33/05/736853305.db2.gz YOOVQADAAIDYSR-QMTHXVAHSA-N 1 1 366.805 3.155 20 5 FGBDMO CO[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC[C@H]1C ZINC000878484449 736853307 /nfs/dbraw/zinc/85/33/07/736853307.db2.gz YOOVQADAAIDYSR-QMTHXVAHSA-N 1 1 366.805 3.155 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3CCCC34OCCO4)cs2)c1 ZINC000883178615 737532465 /nfs/dbraw/zinc/53/24/65/737532465.db2.gz ALKPIRLFSKELMG-OAHLLOKOSA-N 1 1 361.423 3.104 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]CC1(C)CC(F)(F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000883256831 737542544 /nfs/dbraw/zinc/54/25/44/737542544.db2.gz KCIQELGSDRXQPN-AWEZNQCLSA-N 1 1 350.369 3.443 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[N@H+](C1CC1)[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000891622739 739921669 /nfs/dbraw/zinc/92/16/69/739921669.db2.gz JFMBYEHGLXPWEP-RDJZCZTQSA-N 1 1 350.390 3.193 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[N@@H+](C1CC1)[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000891622739 739921672 /nfs/dbraw/zinc/92/16/72/739921672.db2.gz JFMBYEHGLXPWEP-RDJZCZTQSA-N 1 1 350.390 3.193 20 5 FGBDMO COc1c(O)ccc(C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c1[N+](=O)[O-] ZINC000895405882 742407578 /nfs/dbraw/zinc/40/75/78/742407578.db2.gz QMERNCHPIISXSY-XJKSGUPXSA-N 1 1 350.415 3.090 20 5 FGBDMO CCO/C=C/[C@@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000895713077 742445499 /nfs/dbraw/zinc/44/54/99/742445499.db2.gz IRDHJINUBVNOFP-URWSZGRFSA-N 1 1 368.739 3.181 20 5 FGBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)c1 ZINC000905679676 744043756 /nfs/dbraw/zinc/04/37/56/744043756.db2.gz ZRGCOZBXULPVQU-ZDUSSCGKSA-N 1 1 358.295 3.268 20 5 FGBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)c1 ZINC000905679676 744043760 /nfs/dbraw/zinc/04/37/60/744043760.db2.gz ZRGCOZBXULPVQU-ZDUSSCGKSA-N 1 1 358.295 3.268 20 5 FGBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000907064156 744183119 /nfs/dbraw/zinc/18/31/19/744183119.db2.gz GURCZKWUHHOLQZ-YOEHRIQHSA-N 1 1 365.861 3.124 20 5 FGBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927102296 759891273 /nfs/dbraw/zinc/89/12/73/759891273.db2.gz JBLCXZNHCYJEJJ-CJNGLKHVSA-N 1 1 365.499 3.221 20 5 FGBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000927102296 759891282 /nfs/dbraw/zinc/89/12/82/759891282.db2.gz JBLCXZNHCYJEJJ-CJNGLKHVSA-N 1 1 365.499 3.221 20 5 FGBDMO O=[N+]([O-])c1ccc(Br)c(CN2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000929804929 760459918 /nfs/dbraw/zinc/45/99/18/760459918.db2.gz ZSBJDDGFOZVNKJ-UHFFFAOYSA-N 1 1 365.231 3.460 20 5 FGBDMO Cc1[nH]c(CN2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c(C)[nH+]1 ZINC000930366631 760589874 /nfs/dbraw/zinc/58/98/74/760589874.db2.gz HRJDEPLOBFLLMO-UHFFFAOYSA-N 1 1 365.231 3.256 20 5 FGBDMO O=[N+]([O-])c1ccc(Br)c(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)c1 ZINC000931753547 760954156 /nfs/dbraw/zinc/95/41/56/760954156.db2.gz RGGGOKPPIIQHBW-XHDPSFHLSA-N 1 1 355.232 3.358 20 5 FGBDMO Cc1nc(CC2CC[NH+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)no1 ZINC000932239780 761101264 /nfs/dbraw/zinc/10/12/64/761101264.db2.gz OKGLGZYRTAJBNN-UHFFFAOYSA-N 1 1 350.806 3.394 20 5 FGBDMO COC(=O)c1cnc([C@H]2CC[N@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C2)s1 ZINC000932660338 761211757 /nfs/dbraw/zinc/21/17/57/761211757.db2.gz PCTHFFLYTXIFMI-YPMHNXCESA-N 1 1 361.423 3.388 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2SC)C[C@@H]1C ZINC000933370099 761373379 /nfs/dbraw/zinc/37/33/79/761373379.db2.gz NOCVDQNHXIEBRJ-QWHCGFSZSA-N 1 1 351.472 3.262 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2SC)[C@H](C)C1 ZINC000933440035 761389857 /nfs/dbraw/zinc/38/98/57/761389857.db2.gz XGMXDGHTNZGAOB-DOMZBBRYSA-N 1 1 351.472 3.119 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCCSC[C@@H]3C3CC3)n2)cc1 ZINC000933914245 761495005 /nfs/dbraw/zinc/49/50/05/761495005.db2.gz HWBJLPWDTWVKSS-OAHLLOKOSA-N 1 1 360.439 3.362 20 5 FGBDMO COc1ccc(OCC[N@H+]2CC[C@@H](Cc3nccs3)C2)c([N+](=O)[O-])c1 ZINC000934332104 761597085 /nfs/dbraw/zinc/59/70/85/761597085.db2.gz HTQNWVHBIHLVLJ-ZDUSSCGKSA-N 1 1 363.439 3.003 20 5 FGBDMO C[C@@H](Cc1ccsc1)[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000568306322 505663035 /nfs/dbraw/zinc/66/30/35/505663035.db2.gz AILSVMOGGPSGKT-AWEZNQCLSA-N 1 1 359.451 3.045 20 5 FGBDMO O=C(C[N@H+]1CCC[C@@H]1Cc1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000028279326 493784228 /nfs/dbraw/zinc/78/42/28/493784228.db2.gz IWCBCCYIOOEYQL-GOSISDBHSA-N 1 1 365.433 3.191 20 5 FGBDMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)nc1 ZINC000080926596 493793385 /nfs/dbraw/zinc/79/33/85/493793385.db2.gz FEGNDNLQNNRRML-INIZCTEOSA-N 1 1 354.410 3.149 20 5 FGBDMO O=C1OCCN1c1cccc2c1CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000075917450 493795021 /nfs/dbraw/zinc/79/50/21/493795021.db2.gz KHAGXAMNBQWSFN-UHFFFAOYSA-N 1 1 353.378 3.110 20 5 FGBDMO O=C1OCCN1c1cccc2c1CC[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000075917450 493795022 /nfs/dbraw/zinc/79/50/22/493795022.db2.gz KHAGXAMNBQWSFN-UHFFFAOYSA-N 1 1 353.378 3.110 20 5 FGBDMO Cc1c(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000076494736 493905018 /nfs/dbraw/zinc/90/50/18/493905018.db2.gz IHMLSYBOLCPGMC-HNNXBMFYSA-N 1 1 353.422 3.250 20 5 FGBDMO Cc1c(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000076494736 493905021 /nfs/dbraw/zinc/90/50/21/493905021.db2.gz IHMLSYBOLCPGMC-HNNXBMFYSA-N 1 1 353.422 3.250 20 5 FGBDMO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1cccc([N+](=O)[O-])c1C ZINC000051211245 493953867 /nfs/dbraw/zinc/95/38/67/493953867.db2.gz NUPXSKHELAJECT-UHFFFAOYSA-N 1 1 359.401 3.181 20 5 FGBDMO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1cccc([N+](=O)[O-])c1C ZINC000051211245 493953871 /nfs/dbraw/zinc/95/38/71/493953871.db2.gz NUPXSKHELAJECT-UHFFFAOYSA-N 1 1 359.401 3.181 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+](Cc2ccco2)C2CCCC2)c1 ZINC000052076535 494003672 /nfs/dbraw/zinc/00/36/72/494003672.db2.gz UYGHIOBYMILEMT-QGZVFWFLSA-N 1 1 360.410 3.372 20 5 FGBDMO Cc1[nH+]ccn1CCNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000052192497 494011075 /nfs/dbraw/zinc/01/10/75/494011075.db2.gz LRLIKRHJIFBZKU-UHFFFAOYSA-N 1 1 365.393 3.273 20 5 FGBDMO O=C(Nc1ccccc1)[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000052314971 494018237 /nfs/dbraw/zinc/01/82/37/494018237.db2.gz JSNIPJAMUNXWQZ-INIZCTEOSA-N 1 1 369.421 3.324 20 5 FGBDMO CCOc1ccc(C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000007687110 494035713 /nfs/dbraw/zinc/03/57/13/494035713.db2.gz YJHHBAFHBOCCCW-UHFFFAOYSA-N 1 1 357.410 3.372 20 5 FGBDMO CCOc1ccc(C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000007687110 494035717 /nfs/dbraw/zinc/03/57/17/494035717.db2.gz YJHHBAFHBOCCCW-UHFFFAOYSA-N 1 1 357.410 3.372 20 5 FGBDMO CCC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000077322482 494058012 /nfs/dbraw/zinc/05/80/12/494058012.db2.gz TVFZATJJGLZBNQ-VHSSKADRSA-N 1 1 361.442 3.059 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCCCc1ccccc1 ZINC000053079259 494090665 /nfs/dbraw/zinc/09/06/65/494090665.db2.gz SEMXBULFRJWEBW-UHFFFAOYSA-N 1 1 371.437 3.497 20 5 FGBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000053370893 494123852 /nfs/dbraw/zinc/12/38/52/494123852.db2.gz FRUZSULESIUVAK-MRXNPFEDSA-N 1 1 362.474 3.025 20 5 FGBDMO C[N@H+]1CCC[C@@H](CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000568471693 505702372 /nfs/dbraw/zinc/70/23/72/505702372.db2.gz XDHHDAQSZDSFRO-VIFPVBQESA-N 1 1 368.306 3.398 20 5 FGBDMO CNC(=O)c1ccc(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000064905991 494158841 /nfs/dbraw/zinc/15/88/41/494158841.db2.gz AEUFHYCSYMHGJK-KRWDZBQOSA-N 1 1 368.437 3.031 20 5 FGBDMO O=C(C[N@@H+]1CCC[C@H]1c1cccc(F)c1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000053718268 494160464 /nfs/dbraw/zinc/16/04/64/494160464.db2.gz KMRBOVTYPJSROU-SFHVURJKSA-N 1 1 369.396 3.460 20 5 FGBDMO O=C(C[N@H+]1CCC[C@H]1c1cccc(F)c1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000053718268 494160466 /nfs/dbraw/zinc/16/04/66/494160466.db2.gz KMRBOVTYPJSROU-SFHVURJKSA-N 1 1 369.396 3.460 20 5 FGBDMO C[C@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000087081919 494169036 /nfs/dbraw/zinc/16/90/36/494169036.db2.gz RBGGRGLUZFLBAS-MRXNPFEDSA-N 1 1 367.449 3.090 20 5 FGBDMO NC(=O)c1ccc(NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000065202294 494178868 /nfs/dbraw/zinc/17/88/68/494178868.db2.gz KOHCKHRJGLGYDN-MRXNPFEDSA-N 1 1 368.437 3.018 20 5 FGBDMO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)C1 ZINC000054175019 494204079 /nfs/dbraw/zinc/20/40/79/494204079.db2.gz GAUZMSLGHKAHRA-CYBMUJFWSA-N 1 1 351.472 3.127 20 5 FGBDMO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000042184078 494207937 /nfs/dbraw/zinc/20/79/37/494207937.db2.gz JGGOSHAKQGQSKA-QWHCGFSZSA-N 1 1 373.409 3.290 20 5 FGBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000054286947 494217141 /nfs/dbraw/zinc/21/71/41/494217141.db2.gz YXSXQKBMMMOHBX-LBPRGKRZSA-N 1 1 353.850 3.489 20 5 FGBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000054286989 494217460 /nfs/dbraw/zinc/21/74/60/494217460.db2.gz RTNDDAWSJCVSMG-GFCCVEGCSA-N 1 1 353.850 3.489 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[NH+]2CCC(OCC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000054326234 494222461 /nfs/dbraw/zinc/22/24/61/494222461.db2.gz GSDASQLTNVBMBC-HNNXBMFYSA-N 1 1 363.458 3.367 20 5 FGBDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000072838060 494261468 /nfs/dbraw/zinc/26/14/68/494261468.db2.gz HGROMXYPOPZPOK-TZMCWYRMSA-N 1 1 367.471 3.148 20 5 FGBDMO CCS[C@H]1CC[C@H]([N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000072837710 494261660 /nfs/dbraw/zinc/26/16/60/494261660.db2.gz NEUSTOCGFZZDQM-HOCLYGCPSA-N 1 1 363.483 3.090 20 5 FGBDMO C[C@H](NC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000054804869 494273119 /nfs/dbraw/zinc/27/31/19/494273119.db2.gz HNBHJEYCGSJBGX-GJZGRUSLSA-N 1 1 362.474 3.466 20 5 FGBDMO COc1cc(N[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1[N+](=O)[O-] ZINC000078302771 494274541 /nfs/dbraw/zinc/27/45/41/494274541.db2.gz DITGXMOLAFFSMO-QRWLVFNGSA-N 1 1 371.437 3.305 20 5 FGBDMO COc1cc(N[C@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1[N+](=O)[O-] ZINC000078302771 494274544 /nfs/dbraw/zinc/27/45/44/494274544.db2.gz DITGXMOLAFFSMO-QRWLVFNGSA-N 1 1 371.437 3.305 20 5 FGBDMO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000078486655 494305403 /nfs/dbraw/zinc/30/54/03/494305403.db2.gz MOMXFMRBJQHMGT-WFASDCNBSA-N 1 1 366.364 3.306 20 5 FGBDMO O=C(NC1CC1)c1ccc(N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000078526330 494313425 /nfs/dbraw/zinc/31/34/25/494313425.db2.gz SCQWPYAWMZQGCU-QGZVFWFLSA-N 1 1 372.469 3.163 20 5 FGBDMO CNC(=O)c1ccc(Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)c([N+](=O)[O-])c1 ZINC000089649142 494337787 /nfs/dbraw/zinc/33/77/87/494337787.db2.gz CLDOVDLMQDCCGP-UHFFFAOYSA-N 1 1 365.393 3.462 20 5 FGBDMO Cc1nc(C[NH+]2CCC(CNc3ncc(C)cc3[N+](=O)[O-])CC2)oc1C ZINC000078662616 494338770 /nfs/dbraw/zinc/33/87/70/494338770.db2.gz WJEZUPKLCMJYMM-UHFFFAOYSA-N 1 1 359.430 3.227 20 5 FGBDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1ccccc1[N+](=O)[O-] ZINC000073310928 494356024 /nfs/dbraw/zinc/35/60/24/494356024.db2.gz SJJKJQLDPOYMST-WMZOPIPTSA-N 1 1 351.406 3.351 20 5 FGBDMO O=[N+]([O-])c1ccc(OCCC[NH+]2CCN(CCc3ccccc3)CC2)cc1 ZINC000055900426 494424682 /nfs/dbraw/zinc/42/46/82/494424682.db2.gz CRCDBMKLVOOCFI-UHFFFAOYSA-N 1 1 369.465 3.224 20 5 FGBDMO Cc1cc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000018185840 494427994 /nfs/dbraw/zinc/42/79/94/494427994.db2.gz OCCXZMMPUINDHS-KRWDZBQOSA-N 1 1 357.410 3.453 20 5 FGBDMO Cc1sc(C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000045465411 494432046 /nfs/dbraw/zinc/43/20/46/494432046.db2.gz PQXVDMCVLPPVPQ-GFCCVEGCSA-N 1 1 359.451 3.141 20 5 FGBDMO Cc1sc(C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000045465411 494432049 /nfs/dbraw/zinc/43/20/49/494432049.db2.gz PQXVDMCVLPPVPQ-GFCCVEGCSA-N 1 1 359.451 3.141 20 5 FGBDMO COc1ccc([C@H](C)[N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000073986845 494461762 /nfs/dbraw/zinc/46/17/62/494461762.db2.gz FCKJBABBCQXUHH-AWEZNQCLSA-N 1 1 369.421 3.186 20 5 FGBDMO COc1ccc([C@H](C)[N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000073986845 494461766 /nfs/dbraw/zinc/46/17/66/494461766.db2.gz FCKJBABBCQXUHH-AWEZNQCLSA-N 1 1 369.421 3.186 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000045948196 494478611 /nfs/dbraw/zinc/47/86/11/494478611.db2.gz ZVVIYCGDFDPYHJ-CQSZACIVSA-N 1 1 364.446 3.380 20 5 FGBDMO C[C@@H](NC(=O)NCCC[N@@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000056381924 494496483 /nfs/dbraw/zinc/49/64/83/494496483.db2.gz ACHGLHQEWNWAKJ-MRXNPFEDSA-N 1 1 370.453 3.477 20 5 FGBDMO C[C@@H](CNc1nc2sccn2c1[N+](=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000046479132 494530435 /nfs/dbraw/zinc/53/04/35/494530435.db2.gz NAQZCWVWCOURHR-JTQLQIEISA-N 1 1 363.468 3.224 20 5 FGBDMO CN(C(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000074447490 494538456 /nfs/dbraw/zinc/53/84/56/494538456.db2.gz OQPJMFUSALCWKH-OAHLLOKOSA-N 1 1 359.451 3.393 20 5 FGBDMO CN(C(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000074447490 494538458 /nfs/dbraw/zinc/53/84/58/494538458.db2.gz OQPJMFUSALCWKH-OAHLLOKOSA-N 1 1 359.451 3.393 20 5 FGBDMO O=[N+]([O-])c1ccc(Br)cc1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000091479542 494606697 /nfs/dbraw/zinc/60/66/97/494606697.db2.gz PILIASJYRSKIMH-SNVBAGLBSA-N 1 1 351.204 3.464 20 5 FGBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000080163688 494619666 /nfs/dbraw/zinc/61/96/66/494619666.db2.gz ZRQCOZSEJHJQRI-GFCCVEGCSA-N 1 1 354.838 3.444 20 5 FGBDMO CCOc1ccc(C[NH+]2CCN(Cc3csc([N+](=O)[O-])c3)CC2)cc1 ZINC000047265478 494668606 /nfs/dbraw/zinc/66/86/06/494668606.db2.gz ZZHBOXSHMFVZFY-UHFFFAOYSA-N 1 1 361.467 3.373 20 5 FGBDMO C[N@H+]1CCC[C@H](CNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000108329425 494683390 /nfs/dbraw/zinc/68/33/90/494683390.db2.gz FLZPKSUAYFLZQI-OAHLLOKOSA-N 1 1 368.437 3.410 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000047385384 494695360 /nfs/dbraw/zinc/69/53/60/494695360.db2.gz RCJVEFBOTXPJDL-UHFFFAOYSA-N 1 1 357.757 3.390 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000131719931 494708790 /nfs/dbraw/zinc/70/87/90/494708790.db2.gz NRVZLDPYFUSCJS-GASCZTMLSA-N 1 1 365.449 3.151 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)nc1 ZINC000080686052 494768153 /nfs/dbraw/zinc/76/81/53/494768153.db2.gz QDCBOOBIYNYCHK-FQEVSTJZSA-N 1 1 352.438 3.482 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126540822 494783182 /nfs/dbraw/zinc/78/31/82/494783182.db2.gz FNCULOMZZPCITM-SJKOYZFVSA-N 1 1 363.845 3.337 20 5 FGBDMO CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000092100913 494788693 /nfs/dbraw/zinc/78/86/93/494788693.db2.gz SRKUQQUYXMHFLI-OAHLLOKOSA-N 1 1 357.410 3.155 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)CCc1ccncc1 ZINC000121598672 494816097 /nfs/dbraw/zinc/81/60/97/494816097.db2.gz TXBDPBOMBDFKSR-CYBMUJFWSA-N 1 1 353.382 3.275 20 5 FGBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000109108157 494833593 /nfs/dbraw/zinc/83/35/93/494833593.db2.gz HVBKVCWTMNMLNR-MRXNPFEDSA-N 1 1 360.458 3.073 20 5 FGBDMO C[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])o2)CC[N@H+]1Cc1ccccc1 ZINC000132307568 494855130 /nfs/dbraw/zinc/85/51/30/494855130.db2.gz LZOPYMORROMTAD-HOCLYGCPSA-N 1 1 357.410 3.313 20 5 FGBDMO COc1ccc(OC)c(C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C(C)(C)C)c1 ZINC000132312868 494855244 /nfs/dbraw/zinc/85/52/44/494855244.db2.gz HPRFTQFGCYEWLO-UHFFFAOYSA-N 1 1 362.430 3.109 20 5 FGBDMO CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093281092 494859131 /nfs/dbraw/zinc/85/91/31/494859131.db2.gz SLDALDLJHXDOPS-JCVNQNCUSA-N 1 1 359.470 3.482 20 5 FGBDMO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000132449944 494876224 /nfs/dbraw/zinc/87/62/24/494876224.db2.gz ZQABLNPXHCTBHF-INIZCTEOSA-N 1 1 357.385 3.128 20 5 FGBDMO CN(CC[C@H]1CCCC[N@H+]1C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000093659893 494908053 /nfs/dbraw/zinc/90/80/53/494908053.db2.gz YQMZOUSJRACIDH-GOSISDBHSA-N 1 1 371.485 3.302 20 5 FGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(n2ccnc2)CC1 ZINC000109794748 494919375 /nfs/dbraw/zinc/91/93/75/494919375.db2.gz RUWCSLSHEWYMFQ-ZDUSSCGKSA-N 1 1 368.397 3.239 20 5 FGBDMO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000118942254 495054519 /nfs/dbraw/zinc/05/45/19/495054519.db2.gz YSMBEVJVBXCUCV-ZDUSSCGKSA-N 1 1 353.850 3.377 20 5 FGBDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000118942254 495054521 /nfs/dbraw/zinc/05/45/21/495054521.db2.gz YSMBEVJVBXCUCV-ZDUSSCGKSA-N 1 1 353.850 3.377 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCc2ccc(F)cc2C1 ZINC000133967375 495087591 /nfs/dbraw/zinc/08/75/91/495087591.db2.gz KTUZOXCCVYBXEN-UHFFFAOYSA-N 1 1 373.384 3.129 20 5 FGBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000123595210 495157327 /nfs/dbraw/zinc/15/73/27/495157327.db2.gz PRXGXMJXTUFNAP-MRXNPFEDSA-N 1 1 374.485 3.247 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000119420404 495163645 /nfs/dbraw/zinc/16/36/45/495163645.db2.gz MLDNCTBEXNTLEW-LBPRGKRZSA-N 1 1 365.393 3.283 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000128937255 495170769 /nfs/dbraw/zinc/17/07/69/495170769.db2.gz LSAKRYZPNMOEGF-IYBDPMFKSA-N 1 1 362.474 3.014 20 5 FGBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000119515515 495181410 /nfs/dbraw/zinc/18/14/10/495181410.db2.gz ZOELKOBVYDJAEG-RDJZCZTQSA-N 1 1 359.470 3.449 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cn1 ZINC000123814570 495191335 /nfs/dbraw/zinc/19/13/35/495191335.db2.gz XKBFOICYAIVAIW-UHFFFAOYSA-N 1 1 374.360 3.284 20 5 FGBDMO CCCC[N@@H+](C)CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000112466504 495195759 /nfs/dbraw/zinc/19/57/59/495195759.db2.gz BXYUAZPLDIBZAR-UHFFFAOYSA-N 1 1 360.361 3.050 20 5 FGBDMO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000103132282 495196610 /nfs/dbraw/zinc/19/66/10/495196610.db2.gz NHXWVVAVYIREQA-MRXNPFEDSA-N 1 1 371.412 3.028 20 5 FGBDMO C[N@H+]1CCC[C@H]2CN(c3ccc(Br)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000129183931 495208052 /nfs/dbraw/zinc/20/80/52/495208052.db2.gz UXSKQEFRDFNETN-AAEUAGOBSA-N 1 1 354.248 3.278 20 5 FGBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000103603890 495249270 /nfs/dbraw/zinc/24/92/70/495249270.db2.gz DJNDXACPQNXJPB-INIZCTEOSA-N 1 1 362.474 3.247 20 5 FGBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000119826406 495249446 /nfs/dbraw/zinc/24/94/46/495249446.db2.gz GVAGYARUQHITOS-AWEZNQCLSA-N 1 1 371.441 3.110 20 5 FGBDMO O=C(CC[N@@H+](Cc1cccnc1)C1CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000129499575 495253976 /nfs/dbraw/zinc/25/39/76/495253976.db2.gz CJKHTIFZJUEIPX-UHFFFAOYSA-N 1 1 358.373 3.122 20 5 FGBDMO Cc1ccc(N2CCC(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)[nH+]c1 ZINC000124254647 495259130 /nfs/dbraw/zinc/25/91/30/495259130.db2.gz KHFQDXRTPKFPGD-UHFFFAOYSA-N 1 1 374.828 3.350 20 5 FGBDMO COC[C@H]1CCC[N@@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000112988005 495263690 /nfs/dbraw/zinc/26/36/90/495263690.db2.gz AJHAIIJDZIOXRJ-NSHDSACASA-N 1 1 360.357 3.063 20 5 FGBDMO O=c1[nH]c(CC[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)nc2ccccc21 ZINC000135221317 495264793 /nfs/dbraw/zinc/26/47/93/495264793.db2.gz AUPBHXIMNPCPQE-UHFFFAOYSA-N 1 1 364.405 3.038 20 5 FGBDMO Cc1ccc(C[C@@H]2CCC[N@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000113264450 495291214 /nfs/dbraw/zinc/29/12/14/495291214.db2.gz RXSJCMCYOMMMSU-SFHVURJKSA-N 1 1 353.422 3.209 20 5 FGBDMO COc1ccccc1CC[N@@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000104711130 495299156 /nfs/dbraw/zinc/29/91/56/495299156.db2.gz FWCSLEOQKFXKRR-UHFFFAOYSA-N 1 1 371.437 3.415 20 5 FGBDMO C[N@@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)[C@@H]1c1ccc(Cl)cc1 ZINC000130460314 495395082 /nfs/dbraw/zinc/39/50/82/495395082.db2.gz NPGBMPQWVOIPOD-YOEHRIQHSA-N 1 1 374.828 3.006 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)[C@@H]1c1ccc(Cl)cc1 ZINC000130460314 495395089 /nfs/dbraw/zinc/39/50/89/495395089.db2.gz NPGBMPQWVOIPOD-YOEHRIQHSA-N 1 1 374.828 3.006 20 5 FGBDMO C[C@@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[N@H+]1CCC[C@H](C)C1 ZINC000120570283 495407506 /nfs/dbraw/zinc/40/75/06/495407506.db2.gz ZTKNUQFCFNHYNF-HOTGVXAUSA-N 1 1 374.485 3.389 20 5 FGBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000114710151 495412482 /nfs/dbraw/zinc/41/24/82/495412482.db2.gz HZQZWGUROOXWAU-QGZVFWFLSA-N 1 1 368.437 3.031 20 5 FGBDMO C[C@H]1CCC[N@H+]1C1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000125436825 495443808 /nfs/dbraw/zinc/44/38/08/495443808.db2.gz HNICLXAZEPXVMN-INIZCTEOSA-N 1 1 374.485 3.262 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000140348623 495493713 /nfs/dbraw/zinc/49/37/13/495493713.db2.gz KTVHVAAUZVLLKA-ZXYWRSMDSA-N 1 1 372.425 3.333 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000115552237 495515529 /nfs/dbraw/zinc/51/55/29/495515529.db2.gz UDSLLWFHZVJBID-HOCLYGCPSA-N 1 1 369.421 3.420 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000115552237 495515531 /nfs/dbraw/zinc/51/55/31/495515531.db2.gz UDSLLWFHZVJBID-HOCLYGCPSA-N 1 1 369.421 3.420 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000143397774 495532997 /nfs/dbraw/zinc/53/29/97/495532997.db2.gz FYZGOPCHODPJPJ-UHFFFAOYSA-N 1 1 356.426 3.249 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000143397774 495533003 /nfs/dbraw/zinc/53/30/03/495533003.db2.gz FYZGOPCHODPJPJ-UHFFFAOYSA-N 1 1 356.426 3.249 20 5 FGBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000145618192 495557795 /nfs/dbraw/zinc/55/77/95/495557795.db2.gz TXYHAMKIUMDWGF-KRWDZBQOSA-N 1 1 373.409 3.153 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@H+](Cc2cnc(N3CCOCC3)s2)C2CC2)cc1 ZINC000154254834 495559385 /nfs/dbraw/zinc/55/93/85/495559385.db2.gz IGUVODOCYBCQGT-UHFFFAOYSA-N 1 1 374.466 3.053 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@@H+](Cc2cnc(N3CCOCC3)s2)C2CC2)cc1 ZINC000154254834 495559392 /nfs/dbraw/zinc/55/93/92/495559392.db2.gz IGUVODOCYBCQGT-UHFFFAOYSA-N 1 1 374.466 3.053 20 5 FGBDMO C[C@@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000173516408 495568582 /nfs/dbraw/zinc/56/85/82/495568582.db2.gz ZBZJXPODLIYVMX-MRXNPFEDSA-N 1 1 353.422 3.331 20 5 FGBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[N@H+]3Cc3ccccc32)c1 ZINC000147251430 495573578 /nfs/dbraw/zinc/57/35/78/495573578.db2.gz YPZRQJZPECDIKE-HNNXBMFYSA-N 1 1 367.405 3.228 20 5 FGBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000154413476 495609126 /nfs/dbraw/zinc/60/91/26/495609126.db2.gz CPLAQJSERKOMKT-KRWDZBQOSA-N 1 1 374.485 3.247 20 5 FGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+](CCCO)[C@H]2CCc3ccccc32)c1 ZINC000154414514 495609707 /nfs/dbraw/zinc/60/97/07/495609707.db2.gz SENFMLZQYALGLO-PMACEKPBSA-N 1 1 356.422 3.000 20 5 FGBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185535104 495613707 /nfs/dbraw/zinc/61/37/07/495613707.db2.gz CMMIXDFDKAFAGZ-CABCVRRESA-N 1 1 373.428 3.474 20 5 FGBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000150966470 495697032 /nfs/dbraw/zinc/69/70/32/495697032.db2.gz KTLNFUVLGFMLMZ-HZPDHXFCSA-N 1 1 374.485 3.389 20 5 FGBDMO C[C@@H]1C[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[N@H+]1C1CC1 ZINC000151055210 495725467 /nfs/dbraw/zinc/72/54/67/495725467.db2.gz WEWUTCWNCLIPND-OCCSQVGLSA-N 1 1 358.467 3.433 20 5 FGBDMO C[C@@H]1C[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CN1C1CC1 ZINC000151055210 495725475 /nfs/dbraw/zinc/72/54/75/495725475.db2.gz WEWUTCWNCLIPND-OCCSQVGLSA-N 1 1 358.467 3.433 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000182931384 495761485 /nfs/dbraw/zinc/76/14/85/495761485.db2.gz YOODJLXDJNALHN-CQSZACIVSA-N 1 1 367.405 3.192 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159778346 495807044 /nfs/dbraw/zinc/80/70/44/495807044.db2.gz FKYSOGDRVLXKJL-CQSZACIVSA-N 1 1 356.426 3.120 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000159778346 495807045 /nfs/dbraw/zinc/80/70/45/495807045.db2.gz FKYSOGDRVLXKJL-CQSZACIVSA-N 1 1 356.426 3.120 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+]3CC[C@@H]4OCC[C@@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000574573442 505805648 /nfs/dbraw/zinc/80/56/48/505805648.db2.gz NHCGOQPSBJQVEG-ACJLOTCBSA-N 1 1 358.394 3.474 20 5 FGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159856063 495825394 /nfs/dbraw/zinc/82/53/94/495825394.db2.gz UJQOKODPMIGLEZ-AWEZNQCLSA-N 1 1 356.426 3.120 20 5 FGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000159856063 495825398 /nfs/dbraw/zinc/82/53/98/495825398.db2.gz UJQOKODPMIGLEZ-AWEZNQCLSA-N 1 1 356.426 3.120 20 5 FGBDMO Cc1c(CC(=O)NCCC[N@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000159956725 495849339 /nfs/dbraw/zinc/84/93/39/495849339.db2.gz CEVLDAOYNSBKDT-UHFFFAOYSA-N 1 1 355.438 3.084 20 5 FGBDMO CC(C)Oc1nc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000577866121 505808467 /nfs/dbraw/zinc/80/84/67/505808467.db2.gz YPHKOVJLKUYRHJ-HOCLYGCPSA-N 1 1 360.458 3.230 20 5 FGBDMO COc1cccc(F)c1[C@H](C)[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000174221382 495870502 /nfs/dbraw/zinc/87/05/02/495870502.db2.gz FAUALUJUCLUMNU-NWDGAFQWSA-N 1 1 361.373 3.420 20 5 FGBDMO COc1cccc(F)c1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000174229655 495872668 /nfs/dbraw/zinc/87/26/68/495872668.db2.gz QJQBBGSQHKGLCM-RYUDHWBXSA-N 1 1 361.373 3.420 20 5 FGBDMO Cn1cc(Br)cc1C[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000151591730 495888129 /nfs/dbraw/zinc/88/81/29/495888129.db2.gz FKDNXROAILXLQL-UHFFFAOYSA-N 1 1 368.231 3.207 20 5 FGBDMO C[C@H]1C[C@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C[N@H+]1C1CC1 ZINC000177144728 495946596 /nfs/dbraw/zinc/94/65/96/495946596.db2.gz APCVTFPXYGKMOF-AAEUAGOBSA-N 1 1 372.450 3.073 20 5 FGBDMO COc1ccc(C[N@@H+](CCc2ccccc2)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000177149920 495950089 /nfs/dbraw/zinc/95/00/89/495950089.db2.gz IQIJXCTYYCHVHQ-SFHVURJKSA-N 1 1 356.422 3.437 20 5 FGBDMO Cc1ccc(N2CCC(NC(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)[nH+]c1 ZINC000174476302 495976145 /nfs/dbraw/zinc/97/61/45/495976145.db2.gz JKKCAFFOGFTELI-UHFFFAOYSA-N 1 1 369.425 3.397 20 5 FGBDMO CO[C@]1(C)C[C@H]([N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000174482308 495978350 /nfs/dbraw/zinc/97/83/50/495978350.db2.gz JNPAHJQYGQRJRB-KBXCAEBGSA-N 1 1 360.414 3.280 20 5 FGBDMO CO[C@]1(C)C[C@H]([N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000174482308 495978354 /nfs/dbraw/zinc/97/83/54/495978354.db2.gz JNPAHJQYGQRJRB-KBXCAEBGSA-N 1 1 360.414 3.280 20 5 FGBDMO C[C@@H]1C[N@H+](CCCCNc2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@H](C)O1 ZINC000151977237 496011234 /nfs/dbraw/zinc/01/12/34/496011234.db2.gz IVYWLZDKJHLLAE-BETUJISGSA-N 1 1 373.400 3.498 20 5 FGBDMO Cc1cccn2c(=O)cc(C[N@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)nc12 ZINC000155692428 496038244 /nfs/dbraw/zinc/03/82/44/496038244.db2.gz PHGMITWCGATMRC-UHFFFAOYSA-N 1 1 364.405 3.076 20 5 FGBDMO Cc1cccn2c(=O)cc(C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)nc12 ZINC000155692428 496038247 /nfs/dbraw/zinc/03/82/47/496038247.db2.gz PHGMITWCGATMRC-UHFFFAOYSA-N 1 1 364.405 3.076 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)Nc2ccncc2[N+](=O)[O-])cc1 ZINC000183648750 496061524 /nfs/dbraw/zinc/06/15/24/496061524.db2.gz DLUBFUBDOUBAPK-GFCCVEGCSA-N 1 1 366.381 3.367 20 5 FGBDMO CSc1cccc(C(=O)N2CC[N@@H+](C)CC23CCCCC3)c1[N+](=O)[O-] ZINC000186632106 496082628 /nfs/dbraw/zinc/08/26/28/496082628.db2.gz TZQBLSLWCZADSX-UHFFFAOYSA-N 1 1 363.483 3.407 20 5 FGBDMO CC(C)(C)c1ccc([C@@H]2CCC[N@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000174738106 496083428 /nfs/dbraw/zinc/08/34/28/496083428.db2.gz RKTDRGQOWFXPHV-OALUTQOASA-N 1 1 372.469 3.287 20 5 FGBDMO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174832742 496125124 /nfs/dbraw/zinc/12/51/24/496125124.db2.gz ZHFAWBXQNRVYPU-UHFFFAOYSA-N 1 1 368.441 3.034 20 5 FGBDMO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174832742 496125127 /nfs/dbraw/zinc/12/51/27/496125127.db2.gz ZHFAWBXQNRVYPU-UHFFFAOYSA-N 1 1 368.441 3.034 20 5 FGBDMO C[C@@H](c1cccnc1)[NH+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000172151600 496186213 /nfs/dbraw/zinc/18/62/13/496186213.db2.gz LRBNWOFXSIARSG-HNNXBMFYSA-N 1 1 363.421 3.421 20 5 FGBDMO C[N@H+](Cc1ccccc1)C[C@H](O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000152561580 496188829 /nfs/dbraw/zinc/18/88/29/496188829.db2.gz PUFCNFQCAZMPLX-INIZCTEOSA-N 1 1 367.405 3.015 20 5 FGBDMO Cc1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000156388164 496232178 /nfs/dbraw/zinc/23/21/78/496232178.db2.gz KCFAERHSEYDLHQ-YOEHRIQHSA-N 1 1 358.442 3.384 20 5 FGBDMO CCOc1cccc(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000184148701 496259532 /nfs/dbraw/zinc/25/95/32/496259532.db2.gz HVERIMKAXSHUTO-QGZVFWFLSA-N 1 1 371.437 3.172 20 5 FGBDMO CCOC(=O)CC[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000162091489 496294856 /nfs/dbraw/zinc/29/48/56/496294856.db2.gz HVCMUMNGRCKYRZ-OAHLLOKOSA-N 1 1 350.415 3.029 20 5 FGBDMO O=C(Cc1cccc(F)c1)N1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000178038657 496299359 /nfs/dbraw/zinc/29/93/59/496299359.db2.gz NMFFOWWKKWDXQJ-UHFFFAOYSA-N 1 1 371.412 3.011 20 5 FGBDMO O=C(Cc1cccc(F)c1)N1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000178038657 496299361 /nfs/dbraw/zinc/29/93/61/496299361.db2.gz NMFFOWWKKWDXQJ-UHFFFAOYSA-N 1 1 371.412 3.011 20 5 FGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3nnc[nH]3)CC2)c(C(F)(F)F)c1 ZINC000156709151 496316113 /nfs/dbraw/zinc/31/61/13/496316113.db2.gz LBRYWNARIPCYHR-UHFFFAOYSA-N 1 1 355.320 3.111 20 5 FGBDMO CCOC(=O)CC1CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000152998568 496320576 /nfs/dbraw/zinc/32/05/76/496320576.db2.gz GCDZKOFDJQAJLY-UHFFFAOYSA-N 1 1 373.409 3.415 20 5 FGBDMO COc1ccc(C(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000153082659 496348220 /nfs/dbraw/zinc/34/82/20/496348220.db2.gz FOXUXJHSKVSHRU-UHFFFAOYSA-N 1 1 371.437 3.244 20 5 FGBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000181311162 496349410 /nfs/dbraw/zinc/34/94/10/496349410.db2.gz RFLBSEJZBPCCOF-MRXNPFEDSA-N 1 1 370.453 3.257 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)N2CC[N@@H+](C)C3(CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000574700704 505835543 /nfs/dbraw/zinc/83/55/43/505835543.db2.gz HLOIQCRZERDYOV-INIZCTEOSA-N 1 1 374.485 3.181 20 5 FGBDMO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000175399538 496373563 /nfs/dbraw/zinc/37/35/63/496373563.db2.gz REFBOTNRULREKA-DLUDVSRJSA-N 1 1 362.451 3.404 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000153269713 496403798 /nfs/dbraw/zinc/40/37/98/496403798.db2.gz JXXYWVMXTIBENJ-ZDUSSCGKSA-N 1 1 363.483 3.454 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000187379985 496418941 /nfs/dbraw/zinc/41/89/41/496418941.db2.gz ONSMYYIWTZJNNS-HNNXBMFYSA-N 1 1 374.485 3.294 20 5 FGBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000175622126 496469365 /nfs/dbraw/zinc/46/93/65/496469365.db2.gz KMCUAIRTPIMJNU-GDBMZVCRSA-N 1 1 360.458 3.140 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Cc2cccc([N+](=O)[O-])c2)cc1F ZINC000172885906 496476070 /nfs/dbraw/zinc/47/60/70/496476070.db2.gz OHZAZSSYQRZCEQ-UHFFFAOYSA-N 1 1 368.368 3.087 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000163233344 496485870 /nfs/dbraw/zinc/48/58/70/496485870.db2.gz BCXHVKNVBWMHOP-KSSFIOAISA-N 1 1 358.442 3.384 20 5 FGBDMO COc1cc(C[NH2+][C@@H](C)c2cccnc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000181656456 496489425 /nfs/dbraw/zinc/48/94/25/496489425.db2.gz OMWPJPGFXUFJQH-NSHDSACASA-N 1 1 367.352 3.493 20 5 FGBDMO CC(C)CSCCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000157622791 496517638 /nfs/dbraw/zinc/51/76/38/496517638.db2.gz HHHDUWWMKUNPAP-UHFFFAOYSA-N 1 1 365.499 3.132 20 5 FGBDMO Cc1cc(C)c(OC[C@H](O)C[N@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000153649258 496532289 /nfs/dbraw/zinc/53/22/89/496532289.db2.gz DCXSPSQWXDFBRI-GOSISDBHSA-N 1 1 356.422 3.010 20 5 FGBDMO O=C(C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1)N1CCCC1 ZINC000182001561 496630572 /nfs/dbraw/zinc/63/05/72/496630572.db2.gz CGBJQJKOBOSGIC-UHFFFAOYSA-N 1 1 351.834 3.083 20 5 FGBDMO CC[N@@H+](CCc1ccccc1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000154081399 496678413 /nfs/dbraw/zinc/67/84/13/496678413.db2.gz PDSXJZQBYZVYRM-HNNXBMFYSA-N 1 1 371.437 3.495 20 5 FGBDMO C[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000179129750 496684794 /nfs/dbraw/zinc/68/47/94/496684794.db2.gz KLRFLLLRUYGIII-ZOCIIQOWSA-N 1 1 368.437 3.400 20 5 FGBDMO Cc1cnc([C@@H]([NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000185295440 496725607 /nfs/dbraw/zinc/72/56/07/496725607.db2.gz NVKQRPHYTYYTOQ-ABAIWWIYSA-N 1 1 360.439 3.428 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CCC[N@H+](Cc3cscn3)CC2)c2ccncc21 ZINC000263884566 496753755 /nfs/dbraw/zinc/75/37/55/496753755.db2.gz OIMQWKYOOVUIFG-UHFFFAOYSA-N 1 1 369.450 3.312 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CCC[N@@H+](Cc3cscn3)CC2)c2ccncc21 ZINC000263884566 496753761 /nfs/dbraw/zinc/75/37/61/496753761.db2.gz OIMQWKYOOVUIFG-UHFFFAOYSA-N 1 1 369.450 3.312 20 5 FGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188328996 496754078 /nfs/dbraw/zinc/75/40/78/496754078.db2.gz VIKZSTKIHPUUGT-LAUBAEHRSA-N 1 1 369.465 3.225 20 5 FGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000188328996 496754085 /nfs/dbraw/zinc/75/40/85/496754085.db2.gz VIKZSTKIHPUUGT-LAUBAEHRSA-N 1 1 369.465 3.225 20 5 FGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000188328996 496754092 /nfs/dbraw/zinc/75/40/92/496754092.db2.gz VIKZSTKIHPUUGT-LAUBAEHRSA-N 1 1 369.465 3.225 20 5 FGBDMO CC(C)C[C@@]1(CO)CCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000191639671 496842511 /nfs/dbraw/zinc/84/25/11/496842511.db2.gz KAVIDEAUSMWUCQ-GOSISDBHSA-N 1 1 360.414 3.018 20 5 FGBDMO COC(=O)[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@H]1C ZINC000191826227 496902578 /nfs/dbraw/zinc/90/25/78/496902578.db2.gz OBVYTTWYFHXOMB-CJNGLKHVSA-N 1 1 350.415 3.013 20 5 FGBDMO COC(=O)[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@H]1C ZINC000191826227 496902582 /nfs/dbraw/zinc/90/25/82/496902582.db2.gz OBVYTTWYFHXOMB-CJNGLKHVSA-N 1 1 350.415 3.013 20 5 FGBDMO Cn1cccc1[C@H]1CCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000189120656 497015062 /nfs/dbraw/zinc/01/50/62/497015062.db2.gz FCDCOQJADCHHBT-QGZVFWFLSA-N 1 1 360.389 3.238 20 5 FGBDMO Cc1nc(C)c([C@@H](C)[N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000248456785 497017343 /nfs/dbraw/zinc/01/73/43/497017343.db2.gz LWBRQYOOHRVMEH-TZMCWYRMSA-N 1 1 365.455 3.101 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)n1 ZINC000192226032 497039500 /nfs/dbraw/zinc/03/95/00/497039500.db2.gz NVFYLJKGKHKTMD-KRWDZBQOSA-N 1 1 356.426 3.001 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[NH+]2CCC([C@H]3CCCO3)CC2)cccc1[N+](=O)[O-] ZINC000189222487 497051007 /nfs/dbraw/zinc/05/10/07/497051007.db2.gz BNGAXAABSDTHAK-KBXCAEBGSA-N 1 1 361.442 3.121 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@@H](CC(F)(F)F)C3)o2)cc1 ZINC000278590178 497159160 /nfs/dbraw/zinc/15/91/60/497159160.db2.gz DFXWABRBFPEXEN-JTQLQIEISA-N 1 1 356.304 3.419 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@@H](CC(F)(F)F)C3)o2)cc1 ZINC000278590178 497159165 /nfs/dbraw/zinc/15/91/65/497159165.db2.gz DFXWABRBFPEXEN-JTQLQIEISA-N 1 1 356.304 3.419 20 5 FGBDMO COC(=O)[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@H]1C ZINC000249091886 497164328 /nfs/dbraw/zinc/16/43/28/497164328.db2.gz OBVYTTWYFHXOMB-CZUORRHYSA-N 1 1 350.415 3.013 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@H]1C ZINC000249091886 497164333 /nfs/dbraw/zinc/16/43/33/497164333.db2.gz OBVYTTWYFHXOMB-CZUORRHYSA-N 1 1 350.415 3.013 20 5 FGBDMO COc1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc([N+](=O)[O-])c1C ZINC000189632451 497189506 /nfs/dbraw/zinc/18/95/06/497189506.db2.gz VDJVMDJEHXCTJQ-PBHICJAKSA-N 1 1 373.453 3.001 20 5 FGBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1ccccc1Cl ZINC000192707817 497191769 /nfs/dbraw/zinc/19/17/69/497191769.db2.gz WKVBAQWDAKNMCF-CQSZACIVSA-N 1 1 350.802 3.120 20 5 FGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1ccccc1Cl ZINC000192707817 497191774 /nfs/dbraw/zinc/19/17/74/497191774.db2.gz WKVBAQWDAKNMCF-CQSZACIVSA-N 1 1 350.802 3.120 20 5 FGBDMO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])n2)c1 ZINC000578247376 505897400 /nfs/dbraw/zinc/89/74/00/505897400.db2.gz TUNAGYCKOPHYRH-DOMZBBRYSA-N 1 1 364.409 3.421 20 5 FGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000245383906 497379076 /nfs/dbraw/zinc/37/90/76/497379076.db2.gz SGUSWFOACHHHDP-RHSMWYFYSA-N 1 1 354.410 3.108 20 5 FGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000245383906 497379082 /nfs/dbraw/zinc/37/90/82/497379082.db2.gz SGUSWFOACHHHDP-RHSMWYFYSA-N 1 1 354.410 3.108 20 5 FGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000279244063 497379514 /nfs/dbraw/zinc/37/95/14/497379514.db2.gz HGQUTVDGLFOVCG-OLZOCXBDSA-N 1 1 369.824 3.015 20 5 FGBDMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1cccc([N+](=O)[O-])c1 ZINC000193627205 497431869 /nfs/dbraw/zinc/43/18/69/497431869.db2.gz OWFHCIUTOCSTSD-MRXNPFEDSA-N 1 1 354.410 3.238 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000275792459 497432204 /nfs/dbraw/zinc/43/22/04/497432204.db2.gz JYHXCHYTAZHEFO-JSGCOSHPSA-N 1 1 353.850 3.359 20 5 FGBDMO COc1cccc2c1CC[N@@H+]([C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000193731802 497462477 /nfs/dbraw/zinc/46/24/77/497462477.db2.gz YYHLTSBHDZOXGU-AWEZNQCLSA-N 1 1 369.421 3.031 20 5 FGBDMO COc1cccc2c1CC[N@H+]([C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000193731802 497462482 /nfs/dbraw/zinc/46/24/82/497462482.db2.gz YYHLTSBHDZOXGU-AWEZNQCLSA-N 1 1 369.421 3.031 20 5 FGBDMO C[C@@]1(CCCO)CCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000272068252 497528149 /nfs/dbraw/zinc/52/81/49/497528149.db2.gz YINMMHCHZVLWPD-IBGZPJMESA-N 1 1 359.426 3.419 20 5 FGBDMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000267417270 497546589 /nfs/dbraw/zinc/54/65/89/497546589.db2.gz KACOVIFSHMYZLD-AWEZNQCLSA-N 1 1 359.813 3.253 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000279813106 497550342 /nfs/dbraw/zinc/55/03/42/497550342.db2.gz LJXOEYUALHUTHT-IAQYHMDHSA-N 1 1 371.840 3.119 20 5 FGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)c1 ZINC000246230984 497670280 /nfs/dbraw/zinc/67/02/80/497670280.db2.gz GCQVTGXBHIRJNE-YSIASYRMSA-N 1 1 374.412 3.355 20 5 FGBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000246273439 497679747 /nfs/dbraw/zinc/67/97/47/497679747.db2.gz BFJRDGFNIARODS-UONOGXRCSA-N 1 1 351.472 3.383 20 5 FGBDMO CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000246312302 497692714 /nfs/dbraw/zinc/69/27/14/497692714.db2.gz QTILUIZYMKOEBG-GHTZIAJQSA-N 1 1 369.465 3.082 20 5 FGBDMO C[C@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272761033 497724101 /nfs/dbraw/zinc/72/41/01/497724101.db2.gz OSKMSALQUNFYQM-DOTOQJQBSA-N 1 1 374.485 3.090 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246849026 497816349 /nfs/dbraw/zinc/81/63/49/497816349.db2.gz OZNZRDPKZMWGPD-KXBFYZLASA-N 1 1 359.470 3.442 20 5 FGBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000299670651 497889037 /nfs/dbraw/zinc/88/90/37/497889037.db2.gz MEHBRHQOIXYUOX-CYBMUJFWSA-N 1 1 358.398 3.020 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)cs1 ZINC000288758319 497890159 /nfs/dbraw/zinc/89/01/59/497890159.db2.gz IQAQWFFYFZZAJI-KRWDZBQOSA-N 1 1 350.415 3.223 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)cs1 ZINC000288758319 497890165 /nfs/dbraw/zinc/89/01/65/497890165.db2.gz IQAQWFFYFZZAJI-KRWDZBQOSA-N 1 1 350.415 3.223 20 5 FGBDMO Cc1c[nH+]cn1C1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000364399767 497939105 /nfs/dbraw/zinc/93/91/05/497939105.db2.gz LKIMMGCGGZAVSM-UHFFFAOYSA-N 1 1 371.441 3.156 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(Nc2nccc(C(N)=O)c2[N+](=O)[O-])cc1 ZINC000569516258 505952837 /nfs/dbraw/zinc/95/28/37/505952837.db2.gz AIUZDBGKWXNLHD-CYBMUJFWSA-N 1 1 369.425 3.207 20 5 FGBDMO CCc1cc(NC[C@H]2CCC[N@@H+](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301184531 497989402 /nfs/dbraw/zinc/98/94/02/497989402.db2.gz CWBVHZTZJSVJDC-CQSZACIVSA-N 1 1 355.442 3.368 20 5 FGBDMO CSC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000292415240 498007044 /nfs/dbraw/zinc/00/70/44/498007044.db2.gz MJDJOSVBYQCCQB-KBPBESRZSA-N 1 1 351.472 3.305 20 5 FGBDMO CCc1nc(C[NH+]2CCC(CNc3ccc([N+](=O)[O-])cn3)CC2)cs1 ZINC000301226799 498009203 /nfs/dbraw/zinc/00/92/03/498009203.db2.gz CEMQOLYMOYOSOF-UHFFFAOYSA-N 1 1 361.471 3.333 20 5 FGBDMO Cn1cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000285239345 498030880 /nfs/dbraw/zinc/03/08/80/498030880.db2.gz SKMLBNHZWLWDPF-MSOLQXFVSA-N 1 1 356.426 3.139 20 5 FGBDMO C[N@@H+](CCc1nc(-c2ccccc2)no1)CCc1ccccc1[N+](=O)[O-] ZINC000285286597 498043577 /nfs/dbraw/zinc/04/35/77/498043577.db2.gz JXXMVZXBIBFXEP-UHFFFAOYSA-N 1 1 352.394 3.362 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@H](c4cccnc4)C3)o2)cc1 ZINC000575398363 505971526 /nfs/dbraw/zinc/97/15/26/505971526.db2.gz JCXHAVOVBNHOCS-HNNXBMFYSA-N 1 1 351.366 3.029 20 5 FGBDMO CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285464414 498094940 /nfs/dbraw/zinc/09/49/40/498094940.db2.gz KAIDFYNZZKBVHW-BYICEURKSA-N 1 1 370.453 3.349 20 5 FGBDMO CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285464414 498094932 /nfs/dbraw/zinc/09/49/32/498094932.db2.gz KAIDFYNZZKBVHW-BYICEURKSA-N 1 1 370.453 3.349 20 5 FGBDMO COc1cc(C[NH+]2CCN(c3ccc(C)cc3[N+](=O)[O-])CC2)cc(OC)c1 ZINC000301483607 498129619 /nfs/dbraw/zinc/12/96/19/498129619.db2.gz USFQTUZRBCGUHB-UHFFFAOYSA-N 1 1 371.437 3.243 20 5 FGBDMO CCOc1cc(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000285634029 498153228 /nfs/dbraw/zinc/15/32/28/498153228.db2.gz RJVKVPWDIZEBJH-OAHLLOKOSA-N 1 1 362.348 3.273 20 5 FGBDMO CCOc1cc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000285634029 498153225 /nfs/dbraw/zinc/15/32/25/498153225.db2.gz RJVKVPWDIZEBJH-OAHLLOKOSA-N 1 1 362.348 3.273 20 5 FGBDMO CCOc1cc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000285634026 498153355 /nfs/dbraw/zinc/15/33/55/498153355.db2.gz RJVKVPWDIZEBJH-HNNXBMFYSA-N 1 1 362.348 3.273 20 5 FGBDMO CCOc1cc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000285634026 498153362 /nfs/dbraw/zinc/15/33/62/498153362.db2.gz RJVKVPWDIZEBJH-HNNXBMFYSA-N 1 1 362.348 3.273 20 5 FGBDMO Cn1cc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000292814494 498156900 /nfs/dbraw/zinc/15/69/00/498156900.db2.gz PGCKZHREKAZQOD-DOTOQJQBSA-N 1 1 362.380 3.472 20 5 FGBDMO CCc1cc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c2ccccc2n1 ZINC000569671316 505988671 /nfs/dbraw/zinc/98/86/71/505988671.db2.gz MCJQRTYFBUHBGV-UHFFFAOYSA-N 1 1 371.418 3.237 20 5 FGBDMO CN(CC[C@@H]1CCCC[N@H+]1C)c1ncc(Br)cc1[N+](=O)[O-] ZINC000301627446 498196189 /nfs/dbraw/zinc/19/61/89/498196189.db2.gz AEVRUEREMWSSTD-LBPRGKRZSA-N 1 1 357.252 3.063 20 5 FGBDMO COc1cc(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)c([N+](=O)[O-])cc1O ZINC000292936533 498202447 /nfs/dbraw/zinc/20/24/47/498202447.db2.gz HMLVYUWOLKKBPP-UHFFFAOYSA-N 1 1 372.299 3.339 20 5 FGBDMO C[C@@H](C(=O)N(C)CC[C@H]1CCCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1F ZINC000330877168 498210028 /nfs/dbraw/zinc/21/00/28/498210028.db2.gz XEVLTOBKKZACRX-ZIAGYGMSSA-N 1 1 351.422 3.170 20 5 FGBDMO Cc1ncc(C[N@H+]2CC[C@H](Nc3cc(C)c([N+](=O)[O-])cn3)[C@H](C)C2)s1 ZINC000364922085 498211055 /nfs/dbraw/zinc/21/10/55/498211055.db2.gz FNZNIRACICIBRU-DOMZBBRYSA-N 1 1 361.471 3.386 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C/C=C\c3ccc(F)c(F)c3)C2)nc1 ZINC000569741988 506005668 /nfs/dbraw/zinc/00/56/68/506005668.db2.gz ZRBBDOZUFZSBSS-DDGIKZQJSA-N 1 1 360.364 3.468 20 5 FGBDMO CN1CCC(CNc2c(F)cc([N+](=O)[O-])cc2F)([NH+]2CCCCC2)CC1 ZINC000301795885 498267439 /nfs/dbraw/zinc/26/74/39/498267439.db2.gz QKXWPUXHOHPDMC-UHFFFAOYSA-N 1 1 368.428 3.235 20 5 FGBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)CC[C@H]21 ZINC000293384428 498366350 /nfs/dbraw/zinc/36/63/50/498366350.db2.gz NTJOTGBFXMOHDU-XHDPSFHLSA-N 1 1 371.359 3.170 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)nc2c1 ZINC000282066716 498376313 /nfs/dbraw/zinc/37/63/13/498376313.db2.gz YTHYLVWHKMPLLT-ZDUSSCGKSA-N 1 1 366.425 3.388 20 5 FGBDMO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c(F)c1 ZINC000302059760 498389622 /nfs/dbraw/zinc/38/96/22/498389622.db2.gz SKRILDHVDHVEET-QGZVFWFLSA-N 1 1 359.401 3.303 20 5 FGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)c1 ZINC000282157592 498404649 /nfs/dbraw/zinc/40/46/49/498404649.db2.gz TZACIOLMKYCFEW-QFBILLFUSA-N 1 1 370.453 3.041 20 5 FGBDMO CCOc1cccc(NCc2ccc(-n3cc[nH+]c3C)nc2)c1[N+](=O)[O-] ZINC000302125561 498411732 /nfs/dbraw/zinc/41/17/32/498411732.db2.gz AJIHOCRQQHYIGS-UHFFFAOYSA-N 1 1 353.382 3.495 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1nc2sccn2c1[N+](=O)[O-] ZINC000302160686 498422472 /nfs/dbraw/zinc/42/24/72/498422472.db2.gz GXVLVAKBPQIMDI-GXTWGEPZSA-N 1 1 357.439 3.236 20 5 FGBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000331715501 498429403 /nfs/dbraw/zinc/42/94/03/498429403.db2.gz NUDIYMQHUYVIQH-QWHCGFSZSA-N 1 1 369.874 3.083 20 5 FGBDMO Cc1nn(C)c(N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1[N+](=O)[O-] ZINC000302202271 498440835 /nfs/dbraw/zinc/44/08/35/498440835.db2.gz ZRNDEQCIEQWEES-OKZBNKHCSA-N 1 1 369.469 3.349 20 5 FGBDMO CC(C)[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000302216953 498446734 /nfs/dbraw/zinc/44/67/34/498446734.db2.gz JWPZXQKJDXPGEZ-HOTGVXAUSA-N 1 1 363.368 3.299 20 5 FGBDMO CC(C)[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000302216953 498446741 /nfs/dbraw/zinc/44/67/41/498446741.db2.gz JWPZXQKJDXPGEZ-HOTGVXAUSA-N 1 1 363.368 3.299 20 5 FGBDMO C[C@@H]1C[N@H+](C[C@H]2CCCN2c2ccc([N+](=O)[O-])c3cnccc32)C[C@H](C)O1 ZINC000302496866 498494706 /nfs/dbraw/zinc/49/47/06/498494706.db2.gz KHYSQNDZWFWXDY-OWCLPIDISA-N 1 1 370.453 3.221 20 5 FGBDMO CCc1nccc([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)n1 ZINC000365497623 498497724 /nfs/dbraw/zinc/49/77/24/498497724.db2.gz XNMSSBCFUNYCML-CYBMUJFWSA-N 1 1 371.397 3.235 20 5 FGBDMO CCc1nccc([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)n1 ZINC000365497623 498497731 /nfs/dbraw/zinc/49/77/31/498497731.db2.gz XNMSSBCFUNYCML-CYBMUJFWSA-N 1 1 371.397 3.235 20 5 FGBDMO Cc1cc(CNC(=O)c2cccc(C)c2[N+](=O)[O-])cc(N2CCCC2)[nH+]1 ZINC000290329273 498510175 /nfs/dbraw/zinc/51/01/75/498510175.db2.gz JIIAIRWTYUFIHP-UHFFFAOYSA-N 1 1 354.410 3.137 20 5 FGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000282537191 498549706 /nfs/dbraw/zinc/54/97/06/498549706.db2.gz VQSXWUFSBSNHSM-SFHVURJKSA-N 1 1 367.449 3.231 20 5 FGBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000302744579 498556285 /nfs/dbraw/zinc/55/62/85/498556285.db2.gz RSGVMUPZIUQZER-SMDDNHRTSA-N 1 1 354.248 3.278 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1c(Cl)cccc1N1CCOCC1 ZINC000294070135 498578104 /nfs/dbraw/zinc/57/81/04/498578104.db2.gz KPPOUFIMGDYDNT-UHFFFAOYSA-N 1 1 361.829 3.375 20 5 FGBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000302797485 498578576 /nfs/dbraw/zinc/57/85/76/498578576.db2.gz APKVRRRDWXAJPK-MRXNPFEDSA-N 1 1 354.882 3.241 20 5 FGBDMO C[C@H]([NH2+]Cc1ccncc1OC[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000287133698 498643302 /nfs/dbraw/zinc/64/33/02/498643302.db2.gz AFHGFYVHOINYQQ-GJZGRUSLSA-N 1 1 357.410 3.256 20 5 FGBDMO C[C@@H]([NH2+]Cc1ccncc1OC[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000287211038 498673908 /nfs/dbraw/zinc/67/39/08/498673908.db2.gz MLPNGOKSIIVDBH-CABCVRRESA-N 1 1 357.410 3.256 20 5 FGBDMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000332449077 498691359 /nfs/dbraw/zinc/69/13/59/498691359.db2.gz SYGUPAKYMDPHHT-CQSZACIVSA-N 1 1 361.377 3.362 20 5 FGBDMO Cc1ccc(C[C@H](C)[N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000303787954 498714367 /nfs/dbraw/zinc/71/43/67/498714367.db2.gz ULKVKNGLWPBOBV-INIZCTEOSA-N 1 1 367.449 3.355 20 5 FGBDMO Cc1cc([N+](=O)[O-])cnc1N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000312073443 498755653 /nfs/dbraw/zinc/75/56/53/498755653.db2.gz OWOAHWPIRNTVPA-ZWKOTPCHSA-N 1 1 352.438 3.257 20 5 FGBDMO O=C1CCc2cc([N+](=O)[O-])c(N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2N1 ZINC000312739810 498763021 /nfs/dbraw/zinc/76/30/21/498763021.db2.gz XQBDQUSCTYKMHV-MRXNPFEDSA-N 1 1 366.421 3.166 20 5 FGBDMO CC(C)(CCc1noc([C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1)[N+](=O)[O-] ZINC000291048997 498772444 /nfs/dbraw/zinc/77/24/44/498772444.db2.gz HYNCGSNRXXHZMZ-INIZCTEOSA-N 1 1 358.442 3.437 20 5 FGBDMO CC(=O)c1cc(NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)ccc1[N+](=O)[O-] ZINC000287839600 498880202 /nfs/dbraw/zinc/88/02/02/498880202.db2.gz LUBSFZPPXGPXOX-UHFFFAOYSA-N 1 1 369.425 3.285 20 5 FGBDMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000363958239 499066901 /nfs/dbraw/zinc/06/69/01/499066901.db2.gz CEOQQCADVWXAQD-ZBEGNZNMSA-N 1 1 363.414 3.218 20 5 FGBDMO Cc1cccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000366808141 499081338 /nfs/dbraw/zinc/08/13/38/499081338.db2.gz LCKGIBSZOLIQGC-FUHWJXTLSA-N 1 1 357.385 3.218 20 5 FGBDMO Cc1cccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000366808141 499081341 /nfs/dbraw/zinc/08/13/41/499081341.db2.gz LCKGIBSZOLIQGC-FUHWJXTLSA-N 1 1 357.385 3.218 20 5 FGBDMO CN1CC[C@@H](C[N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccnc1 ZINC000372518874 499137849 /nfs/dbraw/zinc/13/78/49/499137849.db2.gz WTTOHITUWGXWKE-ICSRJNTNSA-N 1 1 354.454 3.157 20 5 FGBDMO CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000372613897 499153879 /nfs/dbraw/zinc/15/38/79/499153879.db2.gz QUVPBPXNLOAPKB-OAHLLOKOSA-N 1 1 357.414 3.359 20 5 FGBDMO COCC[C@H]1CCCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000372899040 499191308 /nfs/dbraw/zinc/19/13/08/499191308.db2.gz HHEVNAQGKBWWPG-CQSZACIVSA-N 1 1 367.421 3.201 20 5 FGBDMO CCc1nccc([C@H]2CCC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)n1 ZINC000370234804 499200288 /nfs/dbraw/zinc/20/02/88/499200288.db2.gz AKZLYVKCPMQTRG-ZDUSSCGKSA-N 1 1 367.409 3.468 20 5 FGBDMO CCc1nccc([C@H]2CCC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)n1 ZINC000370234804 499200290 /nfs/dbraw/zinc/20/02/90/499200290.db2.gz AKZLYVKCPMQTRG-ZDUSSCGKSA-N 1 1 367.409 3.468 20 5 FGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@](O)(c3ccccc3)CC2)c1 ZINC000367701456 499226395 /nfs/dbraw/zinc/22/63/95/499226395.db2.gz KWPAZONQFSDRMM-VQTJNVASSA-N 1 1 356.422 3.002 20 5 FGBDMO C[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)[C@@H]1c1cccc(Cl)c1 ZINC000370524082 499228558 /nfs/dbraw/zinc/22/85/58/499228558.db2.gz RPFYDGXIKRBTDK-DYVFJYSZSA-N 1 1 374.828 3.066 20 5 FGBDMO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCCc2[nH+]ccn21 ZINC000368121108 499266571 /nfs/dbraw/zinc/26/65/71/499266571.db2.gz GISABXGEOYHQAP-ZDUSSCGKSA-N 1 1 368.315 3.004 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000371447351 499327415 /nfs/dbraw/zinc/32/74/15/499327415.db2.gz KTSOBDUKMSGVQY-OAGGEKHMSA-N 1 1 361.442 3.060 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000371447351 499327417 /nfs/dbraw/zinc/32/74/17/499327417.db2.gz KTSOBDUKMSGVQY-OAGGEKHMSA-N 1 1 361.442 3.060 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000371447350 499327581 /nfs/dbraw/zinc/32/75/81/499327581.db2.gz KTSOBDUKMSGVQY-BZUAXINKSA-N 1 1 361.442 3.060 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000371447350 499327582 /nfs/dbraw/zinc/32/75/82/499327582.db2.gz KTSOBDUKMSGVQY-BZUAXINKSA-N 1 1 361.442 3.060 20 5 FGBDMO CC(C)c1nc(CN2CCC[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)no1 ZINC000371548570 499340670 /nfs/dbraw/zinc/34/06/70/499340670.db2.gz NCTOIUHTRACDFK-OAHLLOKOSA-N 1 1 373.457 3.370 20 5 FGBDMO CC(C)c1nc(CN2CCC[N@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)no1 ZINC000371548570 499340671 /nfs/dbraw/zinc/34/06/71/499340671.db2.gz NCTOIUHTRACDFK-OAHLLOKOSA-N 1 1 373.457 3.370 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2nc([C@@H]3C[N@@H+](C4CCCCC4)CCO3)no2)c1 ZINC000371602045 499346463 /nfs/dbraw/zinc/34/64/63/499346463.db2.gz NSOANJHYWAJCQB-INIZCTEOSA-N 1 1 358.398 3.351 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2nc([C@@H]3C[N@H+](C4CCCCC4)CCO3)no2)c1 ZINC000371602045 499346465 /nfs/dbraw/zinc/34/64/65/499346465.db2.gz NSOANJHYWAJCQB-INIZCTEOSA-N 1 1 358.398 3.351 20 5 FGBDMO COCc1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000371831583 499369707 /nfs/dbraw/zinc/36/97/07/499369707.db2.gz ZAFVMRZVNGRUGJ-FHLIZLRMSA-N 1 1 363.458 3.043 20 5 FGBDMO C[N@H+]1CC[C@@H](CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000369570156 499420084 /nfs/dbraw/zinc/42/00/84/499420084.db2.gz QAKDMZBRXHEYOT-UWSNXEPLSA-N 1 1 371.462 3.479 20 5 FGBDMO Cc1ncc(C[N@H+]2CC[C@@H](Nc3nccc(C)c3[N+](=O)[O-])[C@@H](C)C2)s1 ZINC000369592238 499423725 /nfs/dbraw/zinc/42/37/25/499423725.db2.gz QDYQOVSAUOUJBR-SWLSCSKDSA-N 1 1 361.471 3.386 20 5 FGBDMO O=C(CC[N@H+]1CCC[C@@]2(CCCCO2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000373172746 499455170 /nfs/dbraw/zinc/45/51/70/499455170.db2.gz KLJZOXCNBMGHEC-SFHVURJKSA-N 1 1 365.405 3.098 20 5 FGBDMO COCCn1cc2c(n1)[C@H]([NH2+][C@@H]1CCCc3ccc([N+](=O)[O-])cc31)CCC2 ZINC000373209830 499457470 /nfs/dbraw/zinc/45/74/70/499457470.db2.gz XLWMSMLTDVXMMR-RTBURBONSA-N 1 1 370.453 3.482 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3CCN(Cc4cccs4)CC3)nc2c1 ZINC000373208934 499457491 /nfs/dbraw/zinc/45/74/91/499457491.db2.gz JDZHTFQEYPBVCT-UHFFFAOYSA-N 1 1 371.466 3.287 20 5 FGBDMO Cc1cccc2nc(C3CC[NH+](Cc4c([N+](=O)[O-])ncn4C)CC3)oc21 ZINC000375250711 499499295 /nfs/dbraw/zinc/49/92/95/499499295.db2.gz PFAIFXXPIUSZCU-UHFFFAOYSA-N 1 1 355.398 3.158 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@@H](c3nnc[nH]3)C2)o1 ZINC000378346405 499504512 /nfs/dbraw/zinc/50/45/12/499504512.db2.gz QSZPVGSMJVJDII-CYBMUJFWSA-N 1 1 353.382 3.353 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000378507673 499525639 /nfs/dbraw/zinc/52/56/39/499525639.db2.gz MFJHSBAYSFPDMN-GMBSWORKSA-N 1 1 358.442 3.286 20 5 FGBDMO O=C(CC[N@@H+]1CCCC[C@H]1c1cc[nH]n1)Nc1cc([N+](=O)[O-])ccc1F ZINC000375623890 499538865 /nfs/dbraw/zinc/53/88/65/499538865.db2.gz MDFDJAXUKHCBTF-INIZCTEOSA-N 1 1 361.377 3.013 20 5 FGBDMO O=C(CC[N@H+]1CCCC[C@H]1c1cc[nH]n1)Nc1cc([N+](=O)[O-])ccc1F ZINC000375623890 499538867 /nfs/dbraw/zinc/53/88/67/499538867.db2.gz MDFDJAXUKHCBTF-INIZCTEOSA-N 1 1 361.377 3.013 20 5 FGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000375716913 499548517 /nfs/dbraw/zinc/54/85/17/499548517.db2.gz BLUPIITZTKMEFZ-IBGZPJMESA-N 1 1 371.393 3.449 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000388431457 499550769 /nfs/dbraw/zinc/55/07/69/499550769.db2.gz UOGGUFHSLWDGKD-ROUUACIJSA-N 1 1 352.438 3.257 20 5 FGBDMO Cc1cc(N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000388882165 499552003 /nfs/dbraw/zinc/55/20/03/499552003.db2.gz DQJIZWZYWGYTTG-MSOLQXFVSA-N 1 1 352.438 3.257 20 5 FGBDMO CC1(C)C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000582173264 506150818 /nfs/dbraw/zinc/15/08/18/506150818.db2.gz SCKMLOVMLSBSCE-DYVFJYSZSA-N 1 1 362.451 3.479 20 5 FGBDMO O=[N+]([O-])c1ccc2c(c1NC[C@@H]1CCC[N@@H+](Cc3cccnc3)C1)CCN2 ZINC000376429900 499607995 /nfs/dbraw/zinc/60/79/95/499607995.db2.gz VWIMFTWMRUGSLU-INIZCTEOSA-N 1 1 367.453 3.282 20 5 FGBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3c[nH]c(-c4ccccc4)n3)CC2)n1 ZINC000376650671 499626130 /nfs/dbraw/zinc/62/61/30/499626130.db2.gz HCKSHWQOMLOZPB-UHFFFAOYSA-N 1 1 352.398 3.019 20 5 FGBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cnc(-c4ccccc4)[nH]3)CC2)n1 ZINC000376650671 499626131 /nfs/dbraw/zinc/62/61/31/499626131.db2.gz HCKSHWQOMLOZPB-UHFFFAOYSA-N 1 1 352.398 3.019 20 5 FGBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@@H](C)c2cccnc2)c([N+](=O)[O-])c1 ZINC000411419440 499738008 /nfs/dbraw/zinc/73/80/08/499738008.db2.gz KQDXHCLTXGNBPQ-ZDUSSCGKSA-N 1 1 358.398 3.020 20 5 FGBDMO CC[C@@H](CSC)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411449345 499741873 /nfs/dbraw/zinc/74/18/73/499741873.db2.gz SSBITRAOKRETKM-LBPRGKRZSA-N 1 1 355.460 3.005 20 5 FGBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@H](C)[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000411510447 499749232 /nfs/dbraw/zinc/74/92/32/499749232.db2.gz YOJVTLYMSRIVQH-LXZKKBNFSA-N 1 1 361.442 3.443 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+]3CCCO[C@@H](CF)C3)o2)c([N+](=O)[O-])c1 ZINC000414483575 499798078 /nfs/dbraw/zinc/79/80/78/499798078.db2.gz ZJZCHMLFVMOISV-HNNXBMFYSA-N 1 1 364.373 3.424 20 5 FGBDMO CC(C)[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H]1CCC(=O)N1 ZINC000414557574 499808768 /nfs/dbraw/zinc/80/87/68/499808768.db2.gz LZCYHGGBVIKWCG-OAHLLOKOSA-N 1 1 357.410 3.344 20 5 FGBDMO COc1ccc(C[NH2+][C@H](CN)C2CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414807113 499833239 /nfs/dbraw/zinc/83/32/39/499833239.db2.gz QUCBVXALCQPOSG-GOSISDBHSA-N 1 1 371.437 3.009 20 5 FGBDMO CCc1ccccc1[C@H]([NH3+])CN[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000415073056 499860948 /nfs/dbraw/zinc/86/09/48/499860948.db2.gz YXXOGZUEQPNALI-IFXJQAMLSA-N 1 1 370.453 3.164 20 5 FGBDMO Cn1cc[nH+]c1C[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413193263 499925262 /nfs/dbraw/zinc/92/52/62/499925262.db2.gz HCRMWDHJFAXCLI-NSHDSACASA-N 1 1 369.347 3.201 20 5 FGBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H](C)C1 ZINC000429007573 499980538 /nfs/dbraw/zinc/98/05/38/499980538.db2.gz VSXURWFDGLIMGI-CLCXKQKWSA-N 1 1 370.453 3.412 20 5 FGBDMO Cc1cc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000425002577 499989280 /nfs/dbraw/zinc/98/92/80/499989280.db2.gz GDWLNRFZQYTKJK-FXAWDEMLSA-N 1 1 365.433 3.250 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](CSC)C1 ZINC000429288997 500043482 /nfs/dbraw/zinc/04/34/82/500043482.db2.gz XHRYYURDVJDYFA-ZDUSSCGKSA-N 1 1 367.471 3.007 20 5 FGBDMO C[C@H](CO)[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])CC1CCC1 ZINC000425484604 500120070 /nfs/dbraw/zinc/12/00/70/500120070.db2.gz SMMNSGRIFPENGX-LLVKDONJSA-N 1 1 357.248 3.340 20 5 FGBDMO COc1ccccc1[C@H](CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C)[NH+](C)C ZINC000421738579 500136463 /nfs/dbraw/zinc/13/64/63/500136463.db2.gz ULAVMPHHGLZLFQ-SFHVURJKSA-N 1 1 371.437 3.253 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425548648 500141637 /nfs/dbraw/zinc/14/16/37/500141637.db2.gz GPFVRWZNZSRVLW-RDTXWAMCSA-N 1 1 373.453 3.203 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425548648 500141641 /nfs/dbraw/zinc/14/16/41/500141641.db2.gz GPFVRWZNZSRVLW-RDTXWAMCSA-N 1 1 373.453 3.203 20 5 FGBDMO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000430084997 500190155 /nfs/dbraw/zinc/19/01/55/500190155.db2.gz LMXVEUDGZDXNGL-OEAKIKGJSA-N 1 1 366.417 3.425 20 5 FGBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H](C)C1 ZINC000430147210 500199983 /nfs/dbraw/zinc/19/99/83/500199983.db2.gz KQIXONUHWPJBMN-WWGRRREGSA-N 1 1 369.412 3.358 20 5 FGBDMO C[C@H]1C[C@H]1[N@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H](C)C1 ZINC000430147208 500200045 /nfs/dbraw/zinc/20/00/45/500200045.db2.gz KQIXONUHWPJBMN-DVOMOZLQSA-N 1 1 369.412 3.358 20 5 FGBDMO C[C@@H]1C[C@@]2(CCO1)C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@@H](C)O2 ZINC000430253311 500215917 /nfs/dbraw/zinc/21/59/17/500215917.db2.gz IIHMRFQNFSGKGO-MDZRGWNJSA-N 1 1 364.442 3.022 20 5 FGBDMO C[C@H](c1ccccc1)[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000573406107 506188780 /nfs/dbraw/zinc/18/87/80/506188780.db2.gz PBUVDYWITMMODY-BEFAXECRSA-N 1 1 358.442 3.158 20 5 FGBDMO CC1(C)CCC[C@H]1[N@H+](Cc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000426819944 500324936 /nfs/dbraw/zinc/32/49/36/500324936.db2.gz JKQCKXWDEFWWFP-RBUKOAKNSA-N 1 1 372.469 3.233 20 5 FGBDMO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427910655 500444739 /nfs/dbraw/zinc/44/47/39/500444739.db2.gz BUQWTEGYGJZBFW-UHFFFAOYSA-N 1 1 357.410 3.072 20 5 FGBDMO CC(C)c1ccc(C[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000428487800 500516866 /nfs/dbraw/zinc/51/68/66/500516866.db2.gz WTKSIZBWBNBNIU-ZDUSSCGKSA-N 1 1 373.375 3.219 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1cccc(C)c1C ZINC000428712798 500547528 /nfs/dbraw/zinc/54/75/28/500547528.db2.gz UEVPZZZDIDEZAA-UHFFFAOYSA-N 1 1 357.410 3.291 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1cccc(C)c1C ZINC000428712798 500547532 /nfs/dbraw/zinc/54/75/32/500547532.db2.gz UEVPZZZDIDEZAA-UHFFFAOYSA-N 1 1 357.410 3.291 20 5 FGBDMO C[N@H+]1CC[C@@H](CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000442302622 500580976 /nfs/dbraw/zinc/58/09/76/500580976.db2.gz JQYZVVWPJHQDAD-AWEZNQCLSA-N 1 1 371.462 3.428 20 5 FGBDMO CCc1ccc([C@@H]2CC[N@@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000433072044 500619793 /nfs/dbraw/zinc/61/97/93/500619793.db2.gz MVFKFIYKVAGUCV-QUCCMNQESA-N 1 1 370.449 3.386 20 5 FGBDMO CC(C)c1nnc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000447578394 500628031 /nfs/dbraw/zinc/62/80/31/500628031.db2.gz FFKTYAGPQAZOQS-VXGBXAGGSA-N 1 1 350.448 3.040 20 5 FGBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C[C@@H]1C ZINC000448342490 500750117 /nfs/dbraw/zinc/75/01/17/500750117.db2.gz QTOXTOBJCKBHQI-WDEREUQCSA-N 1 1 359.348 3.168 20 5 FGBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C[C@@H]1C ZINC000448342490 500750119 /nfs/dbraw/zinc/75/01/19/500750119.db2.gz QTOXTOBJCKBHQI-WDEREUQCSA-N 1 1 359.348 3.168 20 5 FGBDMO C[C@@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[N@H+]1CC(C)(C)O ZINC000438337914 500773060 /nfs/dbraw/zinc/77/30/60/500773060.db2.gz BFFLMNRCORVBNX-OAHLLOKOSA-N 1 1 373.453 3.132 20 5 FGBDMO CCC[C@@]1(C)CCC[N@@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000438824395 500823009 /nfs/dbraw/zinc/82/30/09/500823009.db2.gz DCMYQYVJKFVBQY-APWZRJJASA-N 1 1 359.426 3.129 20 5 FGBDMO CCC[C@@]1(C)CCC[N@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000438824395 500823011 /nfs/dbraw/zinc/82/30/11/500823011.db2.gz DCMYQYVJKFVBQY-APWZRJJASA-N 1 1 359.426 3.129 20 5 FGBDMO O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000434349140 500830325 /nfs/dbraw/zinc/83/03/25/500830325.db2.gz GMIGYEWUINBKKQ-IBGZPJMESA-N 1 1 372.469 3.286 20 5 FGBDMO CC(C)C[N@H+]1CCCC[C@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000439101722 500856406 /nfs/dbraw/zinc/85/64/06/500856406.db2.gz YUXWMOGAYIRAOI-HNNXBMFYSA-N 1 1 360.458 3.402 20 5 FGBDMO CC[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1CCCC[C@@H]1C ZINC000444674176 500877045 /nfs/dbraw/zinc/87/70/45/500877045.db2.gz JTOSWFTVSTXNFO-JSGCOSHPSA-N 1 1 363.414 3.163 20 5 FGBDMO CCC[C@@]1(CO)CCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000444775571 500897692 /nfs/dbraw/zinc/89/76/92/500897692.db2.gz JMQFHWVOSYDPEU-IBGZPJMESA-N 1 1 359.426 3.419 20 5 FGBDMO CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000439463945 500899861 /nfs/dbraw/zinc/89/98/61/500899861.db2.gz CFGBUGLULAZFRE-KRWDZBQOSA-N 1 1 370.833 3.040 20 5 FGBDMO CCOC(=O)[C@@]1(COC)CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000439463945 500899863 /nfs/dbraw/zinc/89/98/63/500899863.db2.gz CFGBUGLULAZFRE-KRWDZBQOSA-N 1 1 370.833 3.040 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+](C)CCc2ccccc2C)cc1[N+](=O)[O-] ZINC000449381280 500990689 /nfs/dbraw/zinc/99/06/89/500990689.db2.gz RKSQRMFDLJMKCM-UHFFFAOYSA-N 1 1 372.421 3.130 20 5 FGBDMO NC(=O)c1cccc(C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000449410281 500996647 /nfs/dbraw/zinc/99/66/47/500996647.db2.gz VNLLKBPUGUNPIK-XBXARRHUSA-N 1 1 351.406 3.372 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)o1 ZINC000449437059 501002667 /nfs/dbraw/zinc/00/26/67/501002667.db2.gz YOVBHXXLZUPAIR-QMTMVMCOSA-N 1 1 372.421 3.217 20 5 FGBDMO Cn1cc(C[N@@H+](C)[C@@H](CO)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449449126 501005298 /nfs/dbraw/zinc/00/52/98/501005298.db2.gz BXYXYCCLPQSYBE-IBGZPJMESA-N 1 1 366.421 3.161 20 5 FGBDMO C[N@H+]1CCN(CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1(C)C ZINC000440650470 501033988 /nfs/dbraw/zinc/03/39/88/501033988.db2.gz NEDONPVDOOKMRI-UHFFFAOYSA-N 1 1 360.380 3.052 20 5 FGBDMO CCOc1ccccc1C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000440650715 501034799 /nfs/dbraw/zinc/03/47/99/501034799.db2.gz NYMIVZFNNARPED-HNNXBMFYSA-N 1 1 356.426 3.099 20 5 FGBDMO CCOc1ccccc1C[N@H+]1CCN(c2ccc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000440650715 501034800 /nfs/dbraw/zinc/03/48/00/501034800.db2.gz NYMIVZFNNARPED-HNNXBMFYSA-N 1 1 356.426 3.099 20 5 FGBDMO CO[C@@H]1C[C@@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000449630399 501046492 /nfs/dbraw/zinc/04/64/92/501046492.db2.gz HUENVUNUSJYUSU-QZTJIDSGSA-N 1 1 370.453 3.385 20 5 FGBDMO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000449682556 501061486 /nfs/dbraw/zinc/06/14/86/501061486.db2.gz XPJIWYROZOJSQN-GUYCJALGSA-N 1 1 362.451 3.295 20 5 FGBDMO C[C@@H]1OCC[C@H]1[N@@H+](CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000449682557 501061726 /nfs/dbraw/zinc/06/17/26/501061726.db2.gz XPJIWYROZOJSQN-SUMWQHHRSA-N 1 1 362.451 3.295 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000446103004 501075111 /nfs/dbraw/zinc/07/51/11/501075111.db2.gz LPKCENRPQMATKI-WCQYABFASA-N 1 1 353.850 3.407 20 5 FGBDMO CC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])Cc1ccc2c(c1)OCO2 ZINC000441186589 501100217 /nfs/dbraw/zinc/10/02/17/501100217.db2.gz XIRVJJTXCZVSCI-UHFFFAOYSA-N 1 1 374.393 3.233 20 5 FGBDMO C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441279471 501114077 /nfs/dbraw/zinc/11/40/77/501114077.db2.gz ARJSTQINIOVAAU-MFKMUULPSA-N 1 1 373.240 3.152 20 5 FGBDMO Cc1nc(N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)ncc1[N+](=O)[O-] ZINC000450507052 501139697 /nfs/dbraw/zinc/13/96/97/501139697.db2.gz OZUFSESEKNGGDC-QGZVFWFLSA-N 1 1 355.442 3.406 20 5 FGBDMO C[C@H]1C[C@@H](N(C)C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000449988280 501146876 /nfs/dbraw/zinc/14/68/76/501146876.db2.gz SBTXWZDXKJGVJS-JQWIXIFHSA-N 1 1 359.348 3.168 20 5 FGBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000450805704 501211927 /nfs/dbraw/zinc/21/19/27/501211927.db2.gz CZVSEZYEROIESL-OAHLLOKOSA-N 1 1 357.458 3.078 20 5 FGBDMO Cc1nc(N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)ncc1[N+](=O)[O-] ZINC000450227959 501214576 /nfs/dbraw/zinc/21/45/76/501214576.db2.gz AMRFLARFNRRZJS-UHFFFAOYSA-N 1 1 361.833 3.059 20 5 FGBDMO Cc1nc(N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)ncc1[N+](=O)[O-] ZINC000450227959 501214577 /nfs/dbraw/zinc/21/45/77/501214577.db2.gz AMRFLARFNRRZJS-UHFFFAOYSA-N 1 1 361.833 3.059 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000451148102 501248207 /nfs/dbraw/zinc/24/82/07/501248207.db2.gz OZEBPGABJGBAJY-UHFFFAOYSA-N 1 1 356.304 3.006 20 5 FGBDMO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000451182245 501250616 /nfs/dbraw/zinc/25/06/16/501250616.db2.gz IRJPZWCTEBPGKV-HBUWYVDXSA-N 1 1 353.422 3.460 20 5 FGBDMO CCOc1cc(C[N@@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)ccc1[N+](=O)[O-] ZINC000451280486 501257232 /nfs/dbraw/zinc/25/72/32/501257232.db2.gz GTRZCYOOECDYPO-PXNSSMCTSA-N 1 1 374.412 3.294 20 5 FGBDMO CCOc1cc(C[N@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)ccc1[N+](=O)[O-] ZINC000451280486 501257233 /nfs/dbraw/zinc/25/72/33/501257233.db2.gz GTRZCYOOECDYPO-PXNSSMCTSA-N 1 1 374.412 3.294 20 5 FGBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000451295380 501258512 /nfs/dbraw/zinc/25/85/12/501258512.db2.gz MZSRHKIPZHZOBW-AWEZNQCLSA-N 1 1 373.375 3.464 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCCC[C@@H]3[C@H]3CCC[C@H]3O)o2)cc1 ZINC000451335321 501268686 /nfs/dbraw/zinc/26/86/86/501268686.db2.gz CYYRNOALZVXKJF-BRWVUGGUSA-N 1 1 372.425 3.160 20 5 FGBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC000451367460 501276489 /nfs/dbraw/zinc/27/64/89/501276489.db2.gz KDYMHGVHPYMOBB-XNZAXJMJSA-N 1 1 371.437 3.074 20 5 FGBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC000451367461 501276573 /nfs/dbraw/zinc/27/65/73/501276573.db2.gz KDYMHGVHPYMOBB-ZCWJYCHZSA-N 1 1 371.437 3.074 20 5 FGBDMO COc1c(C)cnc(C[N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])c1C ZINC000451375407 501278889 /nfs/dbraw/zinc/27/88/89/501278889.db2.gz MQRBZJCEXYPFPP-UHFFFAOYSA-N 1 1 372.425 3.076 20 5 FGBDMO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1(C)C ZINC000451488658 501304501 /nfs/dbraw/zinc/30/45/01/501304501.db2.gz BIHHTYXZCOAXNE-CABCVRRESA-N 1 1 360.414 3.327 20 5 FGBDMO O=C(C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)NCc1ccccc1 ZINC000451546759 501318909 /nfs/dbraw/zinc/31/89/09/501318909.db2.gz JSHWDKNACOZAPH-SFHVURJKSA-N 1 1 353.422 3.091 20 5 FGBDMO O=C(C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)NCc1ccccc1 ZINC000451546759 501318911 /nfs/dbraw/zinc/31/89/11/501318911.db2.gz JSHWDKNACOZAPH-SFHVURJKSA-N 1 1 353.422 3.091 20 5 FGBDMO COc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545421 501319290 /nfs/dbraw/zinc/31/92/90/501319290.db2.gz HGNHMUVVRHXJLG-INIZCTEOSA-N 1 1 369.421 3.422 20 5 FGBDMO COc1ccccc1NC(=O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545421 501319293 /nfs/dbraw/zinc/31/92/93/501319293.db2.gz HGNHMUVVRHXJLG-INIZCTEOSA-N 1 1 369.421 3.422 20 5 FGBDMO Cc1ccc2cc(C[NH+]3CCN(c4ncccc4[N+](=O)[O-])CC3)ccc2n1 ZINC000453584067 501353958 /nfs/dbraw/zinc/35/39/58/501353958.db2.gz ZNPUIDJEYWQXEX-UHFFFAOYSA-N 1 1 363.421 3.169 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451700078 501354302 /nfs/dbraw/zinc/35/43/02/501354302.db2.gz XDCDLEWTCHZHRR-UTXMOHQDSA-N 1 1 372.425 3.189 20 5 FGBDMO CO[C@@H]1C[C@H]([N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C12CCC2 ZINC000451841105 501384163 /nfs/dbraw/zinc/38/41/63/501384163.db2.gz SXXPAUBJWSRLOB-LSDHHAIUSA-N 1 1 358.398 3.034 20 5 FGBDMO CO[C@@H]1C[C@H]([N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C12CCC2 ZINC000451841105 501384164 /nfs/dbraw/zinc/38/41/64/501384164.db2.gz SXXPAUBJWSRLOB-LSDHHAIUSA-N 1 1 358.398 3.034 20 5 FGBDMO C[C@H](NC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000598971853 506253126 /nfs/dbraw/zinc/25/31/26/506253126.db2.gz GZTJFQFRPPXQIZ-KSSFIOAISA-N 1 1 360.458 3.362 20 5 FGBDMO Cc1cc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000456301291 501492177 /nfs/dbraw/zinc/49/21/77/501492177.db2.gz HKZXFHJPWSQVAQ-INIZCTEOSA-N 1 1 367.449 3.497 20 5 FGBDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000456373332 501511653 /nfs/dbraw/zinc/51/16/53/501511653.db2.gz IGRZCPWVPRGKJJ-ZDUSSCGKSA-N 1 1 359.348 3.170 20 5 FGBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000456373332 501511656 /nfs/dbraw/zinc/51/16/56/501511656.db2.gz IGRZCPWVPRGKJJ-ZDUSSCGKSA-N 1 1 359.348 3.170 20 5 FGBDMO C[C@H](NC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000458888511 501553364 /nfs/dbraw/zinc/55/33/64/501553364.db2.gz LKMIQIKQIUGXFV-HOCLYGCPSA-N 1 1 360.458 3.029 20 5 FGBDMO O=C([C@@H]1CCCc2[nH+]ccn21)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452863606 501576553 /nfs/dbraw/zinc/57/65/53/501576553.db2.gz VNLLGWHZCLKQCH-RDJZCZTQSA-N 1 1 354.410 3.075 20 5 FGBDMO COC(=O)c1c(Cl)c(NCC[N@@H+](C)C2CCCC2)ccc1[N+](=O)[O-] ZINC000596112854 506265612 /nfs/dbraw/zinc/26/56/12/506265612.db2.gz GWDZIPVRUQSGSY-UHFFFAOYSA-N 1 1 355.822 3.321 20 5 FGBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC000459487385 501662372 /nfs/dbraw/zinc/66/23/72/501662372.db2.gz MLYNMJMUAUEGRB-UHFFFAOYSA-N 1 1 367.396 3.178 20 5 FGBDMO Cc1c(NC(=O)CC[N@@H+](Cc2cnn(C)c2)CC(C)C)cccc1[N+](=O)[O-] ZINC000459593957 501683193 /nfs/dbraw/zinc/68/31/93/501683193.db2.gz JTVQEJKPISYFOU-UHFFFAOYSA-N 1 1 373.457 3.124 20 5 FGBDMO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@H](C)[N@@H+]1C ZINC000455110562 501689768 /nfs/dbraw/zinc/68/97/68/501689768.db2.gz ZQACZNLUCMAWBW-AOOOYVTPSA-N 1 1 360.336 3.170 20 5 FGBDMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1nc2c(s1)CCC2 ZINC000459631653 501689950 /nfs/dbraw/zinc/68/99/50/501689950.db2.gz JATQIYNWVWRKTI-WDEREUQCSA-N 1 1 360.439 3.218 20 5 FGBDMO O=C1[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCN1c1ccc(Cl)cc1F ZINC000598995883 506268065 /nfs/dbraw/zinc/26/80/65/506268065.db2.gz IFUCCRFJNFEAES-GFCCVEGCSA-N 1 1 369.805 3.344 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000459657125 501694244 /nfs/dbraw/zinc/69/42/44/501694244.db2.gz FDSSIGXFFNMAFG-DAXOMENPSA-N 1 1 370.409 3.207 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000459657125 501694247 /nfs/dbraw/zinc/69/42/47/501694247.db2.gz FDSSIGXFFNMAFG-DAXOMENPSA-N 1 1 370.409 3.207 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC4(CCC4)[C@@H]4COC[C@@H]43)co2)cc1 ZINC000459666170 501695581 /nfs/dbraw/zinc/69/55/81/501695581.db2.gz HBZJVUYNJAMPNK-SJORKVTESA-N 1 1 355.394 3.251 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC4(CCC4)[C@@H]4COC[C@@H]43)co2)cc1 ZINC000459666170 501695584 /nfs/dbraw/zinc/69/55/84/501695584.db2.gz HBZJVUYNJAMPNK-SJORKVTESA-N 1 1 355.394 3.251 20 5 FGBDMO CC(C)(C)[N@H+]1C[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C(F)(F)F)C1 ZINC000459881238 501721073 /nfs/dbraw/zinc/72/10/73/501721073.db2.gz AXTKPEKAJGNMFP-CHWSQXEVSA-N 1 1 359.348 3.442 20 5 FGBDMO COc1cc(CN2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])cc1F ZINC000463483799 501737911 /nfs/dbraw/zinc/73/79/11/501737911.db2.gz AFOZPTLFPZNTDB-UHFFFAOYSA-N 1 1 359.401 3.060 20 5 FGBDMO C[C@H](CNc1ncc([N+](=O)[O-])cc1Br)[N@H+]1CCCC[C@H]1C ZINC000485178151 501748929 /nfs/dbraw/zinc/74/89/29/501748929.db2.gz MOOCUYOOWACASX-GHMZBOCLSA-N 1 1 357.252 3.427 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@H](C)Cc1ccc(O)cc1 ZINC000485202033 501754485 /nfs/dbraw/zinc/75/44/85/501754485.db2.gz WZFJZYXFCPNWKG-CQSZACIVSA-N 1 1 357.410 3.110 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)nc1-c1ccc(F)cc1 ZINC000485391636 501806809 /nfs/dbraw/zinc/80/68/09/501806809.db2.gz RKPWXZXIYYQVOY-HOTGVXAUSA-N 1 1 356.401 3.257 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+]3CCCC[C@@H]23)nc1-c1ccc(F)cc1 ZINC000485400016 501809440 /nfs/dbraw/zinc/80/94/40/501809440.db2.gz QCEXARSPRJEORY-HOTGVXAUSA-N 1 1 356.401 3.257 20 5 FGBDMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000467511448 501811827 /nfs/dbraw/zinc/81/18/27/501811827.db2.gz PDZKJZJNNMWTNN-ZDUSSCGKSA-N 1 1 368.393 3.413 20 5 FGBDMO COc1cc(C[N@@H+](C)CCCSC)c([N+](=O)[O-])cc1OC(F)F ZINC000467559248 501825841 /nfs/dbraw/zinc/82/58/41/501825841.db2.gz FGMVISRPJOTAGH-UHFFFAOYSA-N 1 1 350.387 3.390 20 5 FGBDMO CC[N@H+]1CCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC(C)C)CC1 ZINC000460584272 501868731 /nfs/dbraw/zinc/86/87/31/501868731.db2.gz MLBDZSHYNKIZNQ-UHFFFAOYSA-N 1 1 372.473 3.041 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cn1 ZINC000481991160 501937736 /nfs/dbraw/zinc/93/77/36/501937736.db2.gz NPIOVHIWFOIINF-MJGOQNOKSA-N 1 1 352.438 3.481 20 5 FGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]2Cc2c(F)cccc2Cl)n1 ZINC000478413497 501974179 /nfs/dbraw/zinc/97/41/79/501974179.db2.gz CEYMCXGTKDOEJV-LBPRGKRZSA-N 1 1 352.797 3.291 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000471384682 502007284 /nfs/dbraw/zinc/00/72/84/502007284.db2.gz ZXBJVPIJDYUWNV-HDICACEKSA-N 1 1 365.433 3.107 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000478644679 502042762 /nfs/dbraw/zinc/04/27/62/502042762.db2.gz UJYCHVKFYBXASO-KKUMJFAQSA-N 1 1 365.499 3.455 20 5 FGBDMO COc1cc(CN2CC[N@@H+](C)CC23CCCCC3)c([N+](=O)[O-])cc1F ZINC000464691743 502065616 /nfs/dbraw/zinc/06/56/16/502065616.db2.gz PJPITMJRKIWLRM-UHFFFAOYSA-N 1 1 351.422 3.193 20 5 FGBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000468470647 502069152 /nfs/dbraw/zinc/06/91/52/502069152.db2.gz BYQKTUNKHGILPP-CQSZACIVSA-N 1 1 371.384 3.046 20 5 FGBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000468477863 502072679 /nfs/dbraw/zinc/07/26/79/502072679.db2.gz IKOZFPSNYKKGMK-CQSZACIVSA-N 1 1 373.375 3.464 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2C[C@H](C)C[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000475157336 502085859 /nfs/dbraw/zinc/08/58/59/502085859.db2.gz PKNRBSNPRFFURM-MGPQQGTHSA-N 1 1 350.415 3.013 20 5 FGBDMO C[C@@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[N@H+]1C ZINC000475210567 502099891 /nfs/dbraw/zinc/09/98/91/502099891.db2.gz PRFYUWHSLACUQM-KOLCDFICSA-N 1 1 360.336 3.218 20 5 FGBDMO C[C@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[N@H+]1C ZINC000475210569 502100291 /nfs/dbraw/zinc/10/02/91/502100291.db2.gz PRFYUWHSLACUQM-ONGXEEELSA-N 1 1 360.336 3.218 20 5 FGBDMO CN(CCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464828542 502108972 /nfs/dbraw/zinc/10/89/72/502108972.db2.gz CGCUYXGRATXKOX-LJQANCHMSA-N 1 1 369.465 3.428 20 5 FGBDMO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)CCO2 ZINC000475290764 502120625 /nfs/dbraw/zinc/12/06/25/502120625.db2.gz JKRIPFUHOPNMEJ-AUUYWEPGSA-N 1 1 358.394 3.235 20 5 FGBDMO C[C@H]1OCC[C@@]12C[N@@H+](Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)CCO2 ZINC000475290764 502120629 /nfs/dbraw/zinc/12/06/29/502120629.db2.gz JKRIPFUHOPNMEJ-AUUYWEPGSA-N 1 1 358.394 3.235 20 5 FGBDMO C[C@H]1OCC[C@]12C[N@H+](Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)CCO2 ZINC000475294434 502123170 /nfs/dbraw/zinc/12/31/70/502123170.db2.gz YKQMWTOALQVUFR-KUHUBIRLSA-N 1 1 358.394 3.235 20 5 FGBDMO C[C@H]1OCC[C@]12C[N@@H+](Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)CCO2 ZINC000475294434 502123173 /nfs/dbraw/zinc/12/31/73/502123173.db2.gz YKQMWTOALQVUFR-KUHUBIRLSA-N 1 1 358.394 3.235 20 5 FGBDMO CCC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000475353732 502147297 /nfs/dbraw/zinc/14/72/97/502147297.db2.gz LAIMUZRAMCZILI-JKSUJKDBSA-N 1 1 350.463 3.278 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+](CCCO)[C@H]3CCc4ccccc43)nc2c1 ZINC000482689541 502153419 /nfs/dbraw/zinc/15/34/19/502153419.db2.gz FWEZLFTVDHCGCS-IBGZPJMESA-N 1 1 366.421 3.343 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+](CCCO)[C@H]3CCc4ccccc43)nc2c1 ZINC000482689541 502153423 /nfs/dbraw/zinc/15/34/23/502153423.db2.gz FWEZLFTVDHCGCS-IBGZPJMESA-N 1 1 366.421 3.343 20 5 FGBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000461621144 502156006 /nfs/dbraw/zinc/15/60/06/502156006.db2.gz YXHZLHHFYRLCPQ-OLZOCXBDSA-N 1 1 371.865 3.252 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3nnnn3CC3CC3)s2)cc1 ZINC000472052619 502213316 /nfs/dbraw/zinc/21/33/16/502213316.db2.gz KPYZAXQVHNVAJU-UHFFFAOYSA-N 1 1 370.438 3.010 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+](C)C2CCCCCC2)cc1[N+](=O)[O-] ZINC000475578817 502217205 /nfs/dbraw/zinc/21/72/05/502217205.db2.gz DJLRHDFBKUUSEA-UHFFFAOYSA-N 1 1 350.415 3.301 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000475584744 502220001 /nfs/dbraw/zinc/22/00/01/502220001.db2.gz TUFLMYLESDYBNA-QGZVFWFLSA-N 1 1 370.405 3.484 20 5 FGBDMO Cc1cc(NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c(F)cc1[N+](=O)[O-] ZINC000461939166 502245452 /nfs/dbraw/zinc/24/54/52/502245452.db2.gz FTXMPAZOFGGZLU-JKSUJKDBSA-N 1 1 359.401 3.090 20 5 FGBDMO Cc1cc(NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(F)cc1[N+](=O)[O-] ZINC000461955977 502252141 /nfs/dbraw/zinc/25/21/41/502252141.db2.gz JFPVDHOHCZNCSR-LJQANCHMSA-N 1 1 359.401 3.091 20 5 FGBDMO Cc1cc(N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)c(F)cc1[N+](=O)[O-] ZINC000461958444 502253489 /nfs/dbraw/zinc/25/34/89/502253489.db2.gz ODLGFMPFPDLNHP-QFBILLFUSA-N 1 1 373.428 3.337 20 5 FGBDMO CC[C@]1(C)CCC[N@@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000475705580 502259613 /nfs/dbraw/zinc/25/96/13/502259613.db2.gz KXEFATGHZHKAJY-GOSISDBHSA-N 1 1 350.415 3.159 20 5 FGBDMO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+]CC=Cc3ccccc3[N+](=O)[O-])n2)c1 ZINC000486792501 502263039 /nfs/dbraw/zinc/26/30/39/502263039.db2.gz SCWJSYMUMQETBW-VSKVDJIOSA-N 1 1 364.409 3.447 20 5 FGBDMO CCC[N@@H+](CC)CCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000472207687 502270140 /nfs/dbraw/zinc/27/01/40/502270140.db2.gz QEYNCBFHLAKZBD-UHFFFAOYSA-N 1 1 362.455 3.180 20 5 FGBDMO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1csc(Cl)c1 ZINC000469033629 502272362 /nfs/dbraw/zinc/27/23/62/502272362.db2.gz RTAKWDBYYRJUKR-JTQLQIEISA-N 1 1 374.871 3.434 20 5 FGBDMO C[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1cccc(OCc2ccccn2)c1 ZINC000602798031 506303726 /nfs/dbraw/zinc/30/37/26/506303726.db2.gz FNTCKGBADHGPIF-AWEZNQCLSA-N 1 1 367.409 3.153 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000462169426 502332638 /nfs/dbraw/zinc/33/26/38/502332638.db2.gz ZXSUJMCDWMCVBR-CRAIPNDOSA-N 1 1 353.422 3.154 20 5 FGBDMO COc1c(C(=O)NCc2cccc(C[N@@H+](C)C(C)C)c2)cccc1[N+](=O)[O-] ZINC000475921559 502333822 /nfs/dbraw/zinc/33/38/22/502333822.db2.gz SYBVJWGYKPXWQG-UHFFFAOYSA-N 1 1 371.437 3.374 20 5 FGBDMO CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1Br ZINC000472432272 502350086 /nfs/dbraw/zinc/35/00/86/502350086.db2.gz PIHUXSAYJGAEBC-UHFFFAOYSA-N 1 1 367.247 3.466 20 5 FGBDMO CCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1Br ZINC000472432272 502350090 /nfs/dbraw/zinc/35/00/90/502350090.db2.gz PIHUXSAYJGAEBC-UHFFFAOYSA-N 1 1 367.247 3.466 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000462236644 502362952 /nfs/dbraw/zinc/36/29/52/502362952.db2.gz IDXKJQRNHNRSBT-KDOFPFPSSA-N 1 1 354.410 3.237 20 5 FGBDMO COc1cc(NC2CCN(c3[nH+]ccn3C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596207567 506311079 /nfs/dbraw/zinc/31/10/79/506311079.db2.gz SLWQSAYAGAIDBP-UHFFFAOYSA-N 1 1 365.821 3.071 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C)c1NS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000476236090 502423836 /nfs/dbraw/zinc/42/38/36/502423836.db2.gz VICVZRHZFKUATD-UHFFFAOYSA-N 1 1 363.439 3.074 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C(C)(C)c1ccc(Br)cc1 ZINC000476664411 502555550 /nfs/dbraw/zinc/55/55/50/502555550.db2.gz QVGAVKXQSZVOFY-UHFFFAOYSA-N 1 1 353.220 3.116 20 5 FGBDMO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000480453234 502573187 /nfs/dbraw/zinc/57/31/87/502573187.db2.gz KEXMQADAJNOKSF-UHFFFAOYSA-N 1 1 372.347 3.176 20 5 FGBDMO Cc1c([C@@H](C)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000484181237 502594773 /nfs/dbraw/zinc/59/47/73/502594773.db2.gz VTNBRWZHDZGLTB-DYESRHJHSA-N 1 1 369.465 3.191 20 5 FGBDMO Cc1c([C@@H](C)[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000484181237 502594780 /nfs/dbraw/zinc/59/47/80/502594780.db2.gz VTNBRWZHDZGLTB-DYESRHJHSA-N 1 1 369.465 3.191 20 5 FGBDMO Cn1nc2c(c1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)CCCC2 ZINC000462867895 502605070 /nfs/dbraw/zinc/60/50/70/502605070.db2.gz NTXXBRXHWXOSEZ-UHFFFAOYSA-N 1 1 366.368 3.098 20 5 FGBDMO C[C@@H](c1cccnc1)[NH+]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000488094581 502626276 /nfs/dbraw/zinc/62/62/76/502626276.db2.gz VPBKMRWFSDEDRY-HNNXBMFYSA-N 1 1 363.421 3.421 20 5 FGBDMO CCC[C@@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000488107517 502628497 /nfs/dbraw/zinc/62/84/97/502628497.db2.gz RJVKWHVBYVUYNB-OAHLLOKOSA-N 1 1 358.442 3.080 20 5 FGBDMO CNc1c(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cccc1[N+](=O)[O-] ZINC000462987461 502650267 /nfs/dbraw/zinc/65/02/67/502650267.db2.gz HTMAYSGHEMFLSP-CVEARBPZSA-N 1 1 374.485 3.363 20 5 FGBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000463053564 502676885 /nfs/dbraw/zinc/67/68/85/502676885.db2.gz ARHNXHQRZHGNEH-HNNXBMFYSA-N 1 1 362.474 3.389 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000470168092 502690858 /nfs/dbraw/zinc/69/08/58/502690858.db2.gz WNIBJEXLEXTNFL-VQIMIIECSA-N 1 1 359.470 3.297 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000470170219 502692377 /nfs/dbraw/zinc/69/23/77/502692377.db2.gz QNEKPZXYSBFCNZ-GSPCDJLXSA-N 1 1 367.453 3.415 20 5 FGBDMO CCCC[N@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000470173167 502693216 /nfs/dbraw/zinc/69/32/16/502693216.db2.gz JBVBJELPSWQPNE-HAZIXKIPSA-N 1 1 366.483 3.287 20 5 FGBDMO CCCC[N@@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000470173167 502693219 /nfs/dbraw/zinc/69/32/19/502693219.db2.gz JBVBJELPSWQPNE-HAZIXKIPSA-N 1 1 366.483 3.287 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[N@@H+](C)[C@@H](C(C)(C)C)C1 ZINC000602872994 506332759 /nfs/dbraw/zinc/33/27/59/506332759.db2.gz FZWVFYUPYHTQCN-CZUORRHYSA-N 1 1 373.457 3.368 20 5 FGBDMO C[C@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000488761441 502805919 /nfs/dbraw/zinc/80/59/19/502805919.db2.gz GLZJLVLMRCMDLG-LLVKDONJSA-N 1 1 358.364 3.319 20 5 FGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000489089955 502877324 /nfs/dbraw/zinc/87/73/24/502877324.db2.gz HWTOQAIKIDKAGR-ZDUSSCGKSA-N 1 1 369.450 3.483 20 5 FGBDMO COc1cc(C[N@H+](CC(=O)N2CCCCCC2)C(C)C)ccc1[N+](=O)[O-] ZINC000513252854 502889303 /nfs/dbraw/zinc/88/93/03/502889303.db2.gz PMJJBEPCCRZJBF-UHFFFAOYSA-N 1 1 363.458 3.216 20 5 FGBDMO COc1cc(C[N@@H+](CC(=O)N2CCCCCC2)C(C)C)ccc1[N+](=O)[O-] ZINC000513252854 502889304 /nfs/dbraw/zinc/88/93/04/502889304.db2.gz PMJJBEPCCRZJBF-UHFFFAOYSA-N 1 1 363.458 3.216 20 5 FGBDMO COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000509426393 502899480 /nfs/dbraw/zinc/89/94/80/502899480.db2.gz RMDMGKMBXZNSSC-AWEZNQCLSA-N 1 1 362.357 3.234 20 5 FGBDMO COc1ccc(OCC[N@@H+](C)Cc2cccc(N(C)C)c2)c([N+](=O)[O-])c1 ZINC000513315246 502902998 /nfs/dbraw/zinc/90/29/98/502902998.db2.gz UOOFKNGARJMBPL-UHFFFAOYSA-N 1 1 359.426 3.180 20 5 FGBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1nc2ccccc2o1 ZINC000501005774 502910968 /nfs/dbraw/zinc/91/09/68/502910968.db2.gz FNKCEIDWWXPSGL-UHFFFAOYSA-N 1 1 354.366 3.197 20 5 FGBDMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000489253412 502911140 /nfs/dbraw/zinc/91/11/40/502911140.db2.gz GYTUSZRSVHUPJU-GDBMZVCRSA-N 1 1 363.458 3.120 20 5 FGBDMO COCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)[C@@H]1CCO[C@@H]1C ZINC000489463036 502963881 /nfs/dbraw/zinc/96/38/81/502963881.db2.gz HAHLWSFAPTYPMI-RHSMWYFYSA-N 1 1 352.431 3.008 20 5 FGBDMO COCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)[C@@H]1CCO[C@@H]1C ZINC000489463036 502963887 /nfs/dbraw/zinc/96/38/87/502963887.db2.gz HAHLWSFAPTYPMI-RHSMWYFYSA-N 1 1 352.431 3.008 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000505906522 503010704 /nfs/dbraw/zinc/01/07/04/503010704.db2.gz OTWVYNBDNAXKSU-HUUCEWRRSA-N 1 1 363.433 3.461 20 5 FGBDMO CCOc1cccc(N2CC[NH+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000490085223 503106943 /nfs/dbraw/zinc/10/69/43/503106943.db2.gz FGMODPCDJCNFRX-OAHLLOKOSA-N 1 1 356.426 3.272 20 5 FGBDMO CCN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000501951777 503115274 /nfs/dbraw/zinc/11/52/74/503115274.db2.gz VYORNMALYDLXMG-WBVHZDCISA-N 1 1 370.453 3.231 20 5 FGBDMO CC[N@@H+](CCOCCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000502345993 503184699 /nfs/dbraw/zinc/18/46/99/503184699.db2.gz MIMSAUMSDUYHGG-UHFFFAOYSA-N 1 1 350.440 3.154 20 5 FGBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000490747188 503222516 /nfs/dbraw/zinc/22/25/16/503222516.db2.gz VTRAACNIPVSKNQ-CQSZACIVSA-N 1 1 350.463 3.250 20 5 FGBDMO COc1cc(C[N@@H+](CCO)[C@H]2CC[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000515011846 503250147 /nfs/dbraw/zinc/25/01/47/503250147.db2.gz UZAKVVOPPBCFAR-AAEUAGOBSA-N 1 1 374.384 3.188 20 5 FGBDMO COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511110750 503258084 /nfs/dbraw/zinc/25/80/84/503258084.db2.gz RTQVWITXKBZOJT-HNNXBMFYSA-N 1 1 371.437 3.413 20 5 FGBDMO COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511110750 503258087 /nfs/dbraw/zinc/25/80/87/503258087.db2.gz RTQVWITXKBZOJT-HNNXBMFYSA-N 1 1 371.437 3.413 20 5 FGBDMO COc1ccccc1NC(=O)[C@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511125773 503263335 /nfs/dbraw/zinc/26/33/35/503263335.db2.gz WRRUKIPSLCCZHE-AWEZNQCLSA-N 1 1 357.410 3.105 20 5 FGBDMO COc1ccccc1NC(=O)[C@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511125773 503263337 /nfs/dbraw/zinc/26/33/37/503263337.db2.gz WRRUKIPSLCCZHE-AWEZNQCLSA-N 1 1 357.410 3.105 20 5 FGBDMO C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511139239 503266941 /nfs/dbraw/zinc/26/69/41/503266941.db2.gz QADRQLHIDXFMAR-CVEARBPZSA-N 1 1 367.449 3.435 20 5 FGBDMO C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511139239 503266943 /nfs/dbraw/zinc/26/69/43/503266943.db2.gz QADRQLHIDXFMAR-CVEARBPZSA-N 1 1 367.449 3.435 20 5 FGBDMO COC(=O)c1c(Cl)c(N[C@H]2CC[N@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000596337417 506362922 /nfs/dbraw/zinc/36/29/22/506362922.db2.gz WVIUSQSJMQGOIO-JTQLQIEISA-N 1 1 355.822 3.320 20 5 FGBDMO CC(C)([NH2+]Cc1cnnn1Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000492152727 503353083 /nfs/dbraw/zinc/35/30/83/503353083.db2.gz OPNVJUUTSMXCSW-UHFFFAOYSA-N 1 1 351.410 3.260 20 5 FGBDMO CC(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1C(F)(F)F)[NH+]1CCOCC1 ZINC000511698357 503371775 /nfs/dbraw/zinc/37/17/75/503371775.db2.gz AJMFGDVNZHOTTQ-OAHLLOKOSA-N 1 1 361.364 3.382 20 5 FGBDMO C[C@](CO)([NH2+]Cc1ccccc1OC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000602966167 506369042 /nfs/dbraw/zinc/36/90/42/506369042.db2.gz YQVDYKWVTPBIOH-QGZVFWFLSA-N 1 1 352.337 3.194 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000493281956 503418132 /nfs/dbraw/zinc/41/81/32/503418132.db2.gz RNKIBUDSEGJDQP-UXLLHSPISA-N 1 1 362.474 3.478 20 5 FGBDMO CC(C)N1C[C@@H]([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000493994876 503471282 /nfs/dbraw/zinc/47/12/82/503471282.db2.gz ATPJCAPZMTYMTJ-PXNSSMCTSA-N 1 1 353.422 3.283 20 5 FGBDMO C/C(=C/c1ccccc1)C[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000494233172 503508218 /nfs/dbraw/zinc/50/82/18/503508218.db2.gz GRTJPHFSUMVIPU-QMDZLVRISA-N 1 1 356.422 3.370 20 5 FGBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)c1c(F)cncc1F ZINC000516658738 503563140 /nfs/dbraw/zinc/56/31/40/503563140.db2.gz QZPHBYGQZYQKCQ-GHMZBOCLSA-N 1 1 364.352 3.336 20 5 FGBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1c(F)cncc1F ZINC000516658740 503563383 /nfs/dbraw/zinc/56/33/83/503563383.db2.gz QZPHBYGQZYQKCQ-MNOVXSKESA-N 1 1 364.352 3.336 20 5 FGBDMO O=C1CC[C@@H]2C[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)CCN12 ZINC000512470385 503563474 /nfs/dbraw/zinc/56/34/74/503563474.db2.gz YEIREOQAICFMFO-OAHLLOKOSA-N 1 1 357.435 3.130 20 5 FGBDMO O=C1CC[C@@H]2C[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)CCN12 ZINC000512470385 503563477 /nfs/dbraw/zinc/56/34/77/503563477.db2.gz YEIREOQAICFMFO-OAHLLOKOSA-N 1 1 357.435 3.130 20 5 FGBDMO CC(C)(C)Oc1cccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000508915484 503598902 /nfs/dbraw/zinc/59/89/02/503598902.db2.gz PVSINIXWYGHNPM-HNNXBMFYSA-N 1 1 371.441 3.249 20 5 FGBDMO CC(C)(C)Oc1cccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000508915484 503598906 /nfs/dbraw/zinc/59/89/06/503598906.db2.gz PVSINIXWYGHNPM-HNNXBMFYSA-N 1 1 371.441 3.249 20 5 FGBDMO COc1ccc(-c2ccc(CN3CC[C@H]4CC[N@@H+](C)C[C@@H]43)o2)c([N+](=O)[O-])c1 ZINC000495092557 503666446 /nfs/dbraw/zinc/66/64/46/503666446.db2.gz WZWGCGUGYRXQPE-KUHUBIRLSA-N 1 1 371.437 3.389 20 5 FGBDMO COc1ccc(-c2ccc(C[N@@H+]3CC[C@H]4CCN(C)C[C@@H]43)o2)c([N+](=O)[O-])c1 ZINC000495092557 503666449 /nfs/dbraw/zinc/66/64/49/503666449.db2.gz WZWGCGUGYRXQPE-KUHUBIRLSA-N 1 1 371.437 3.389 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+]3CC[C@H]4CCN(C)C[C@@H]43)o2)c([N+](=O)[O-])c1 ZINC000495092557 503666456 /nfs/dbraw/zinc/66/64/56/503666456.db2.gz WZWGCGUGYRXQPE-KUHUBIRLSA-N 1 1 371.437 3.389 20 5 FGBDMO COC(=O)CC[N@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000536682488 503677684 /nfs/dbraw/zinc/67/76/84/503677684.db2.gz ROVGYGPHAJMUBD-MRXNPFEDSA-N 1 1 364.442 3.262 20 5 FGBDMO COc1cc(C[N@H+](C)C2CC(O)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000546255423 503688441 /nfs/dbraw/zinc/68/84/41/503688441.db2.gz KOKLVDMYAXJRGA-UHFFFAOYSA-N 1 1 372.421 3.138 20 5 FGBDMO COc1cc(C[N@@H+](C)C2CC(O)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000546255423 503688448 /nfs/dbraw/zinc/68/84/48/503688448.db2.gz KOKLVDMYAXJRGA-UHFFFAOYSA-N 1 1 372.421 3.138 20 5 FGBDMO O=C(NCc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000517274186 503703391 /nfs/dbraw/zinc/70/33/91/503703391.db2.gz BOYSYZAFOSYWRM-QGZVFWFLSA-N 1 1 360.458 3.191 20 5 FGBDMO CC[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1cccs1 ZINC000533215119 503764438 /nfs/dbraw/zinc/76/44/38/503764438.db2.gz KLIKBJVTBQLPHY-UHFFFAOYSA-N 1 1 361.423 3.476 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000517563280 503772541 /nfs/dbraw/zinc/77/25/41/503772541.db2.gz AJQZZNADENXSTD-OKILXGFUSA-N 1 1 351.422 3.222 20 5 FGBDMO CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000537091517 503798586 /nfs/dbraw/zinc/79/85/86/503798586.db2.gz JHRDESVADCRSKH-LSDHHAIUSA-N 1 1 371.441 3.289 20 5 FGBDMO CC[N@H+]1CCC[C@H](CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000543578096 503818446 /nfs/dbraw/zinc/81/84/46/503818446.db2.gz UZPXPXIFNFJOCU-GFCCVEGCSA-N 1 1 371.890 3.188 20 5 FGBDMO CC(C)(C)[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1O ZINC000543631995 503835549 /nfs/dbraw/zinc/83/55/49/503835549.db2.gz PDTUJRTUVOLTGZ-KBPBESRZSA-N 1 1 358.385 3.425 20 5 FGBDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1O ZINC000543631995 503835551 /nfs/dbraw/zinc/83/55/51/503835551.db2.gz PDTUJRTUVOLTGZ-KBPBESRZSA-N 1 1 358.385 3.425 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@H+](C)CCN(C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000533419132 503838151 /nfs/dbraw/zinc/83/81/51/503838151.db2.gz DYEYHVLHGXHKCB-INIZCTEOSA-N 1 1 370.453 3.298 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@@H+](C)CCN(C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000533419132 503838158 /nfs/dbraw/zinc/83/81/58/503838158.db2.gz DYEYHVLHGXHKCB-INIZCTEOSA-N 1 1 370.453 3.298 20 5 FGBDMO CNc1ccc(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000543751533 503880001 /nfs/dbraw/zinc/88/00/01/503880001.db2.gz QNMWHAOSPHLPDV-HIFRSBDPSA-N 1 1 360.458 3.019 20 5 FGBDMO CCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000546892991 503919043 /nfs/dbraw/zinc/91/90/43/503919043.db2.gz BZTQSEFURNJJNL-GOSISDBHSA-N 1 1 371.412 3.471 20 5 FGBDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000518245887 503935126 /nfs/dbraw/zinc/93/51/26/503935126.db2.gz BXPJITZUMGMKQJ-OAHLLOKOSA-N 1 1 370.453 3.095 20 5 FGBDMO COc1cc(CO[C@@H](C)Cc2[nH]cc[nH+]2)c([N+](=O)[O-])cc1OC(F)F ZINC000543958737 503950947 /nfs/dbraw/zinc/95/09/47/503950947.db2.gz AGOVQBSTYRAZIU-VIFPVBQESA-N 1 1 357.313 3.076 20 5 FGBDMO Cn1cc(C[N@H+]2CCC[C@]3(CCCOC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000537616574 503976520 /nfs/dbraw/zinc/97/65/20/503976520.db2.gz QAQQVIMVWWBBIR-FQEVSTJZSA-N 1 1 370.453 3.388 20 5 FGBDMO COc1ccc(C[NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000533922841 503991129 /nfs/dbraw/zinc/99/11/29/503991129.db2.gz VOZLTPRPPILLFU-CQSZACIVSA-N 1 1 370.327 3.445 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000537648919 503991669 /nfs/dbraw/zinc/99/16/69/503991669.db2.gz YNGHTNGRUOHRKM-CYBMUJFWSA-N 1 1 350.415 3.157 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000537648919 503991672 /nfs/dbraw/zinc/99/16/72/503991672.db2.gz YNGHTNGRUOHRKM-CYBMUJFWSA-N 1 1 350.415 3.157 20 5 FGBDMO CCOc1cc(NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000537833364 504057878 /nfs/dbraw/zinc/05/78/78/504057878.db2.gz CDUQKVGNVUBOOJ-FQEVSTJZSA-N 1 1 371.437 3.042 20 5 FGBDMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])s3)sc2C1 ZINC000541271001 504068740 /nfs/dbraw/zinc/06/87/40/504068740.db2.gz BMQZBVCHSQGDNC-UHFFFAOYSA-N 1 1 352.441 3.132 20 5 FGBDMO CC(C)[N@H+]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])s3)sc2C1 ZINC000541271001 504068747 /nfs/dbraw/zinc/06/87/47/504068747.db2.gz BMQZBVCHSQGDNC-UHFFFAOYSA-N 1 1 352.441 3.132 20 5 FGBDMO 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QMNJQKKWLZZRNE-UHFFFAOYSA-N 1 1 371.441 3.039 20 5 FGBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH+](C2CCC2)CC1 ZINC000612291098 506511713 /nfs/dbraw/zinc/51/17/13/506511713.db2.gz UIQMUTHGVPNNNE-UHFFFAOYSA-N 1 1 369.874 3.037 20 5 FGBDMO C[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599586895 506512830 /nfs/dbraw/zinc/51/28/30/506512830.db2.gz KCIWZXVDZSUCQL-YOEHRIQHSA-N 1 1 364.442 3.273 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000596676869 506526197 /nfs/dbraw/zinc/52/61/97/506526197.db2.gz HOKAQHUQSQJMJT-HNNXBMFYSA-N 1 1 360.458 3.142 20 5 FGBDMO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000593319904 506536736 /nfs/dbraw/zinc/53/67/36/506536736.db2.gz FYBCUMZSXMOLMR-KBRIMQKVSA-N 1 1 353.850 3.109 20 5 FGBDMO COCC[N@@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])[C@@H]1CC[C@@H](C)C1 ZINC000589512913 506573873 /nfs/dbraw/zinc/57/38/73/506573873.db2.gz PNUVMWOFYSMJDG-CZUORRHYSA-N 1 1 350.415 3.018 20 5 FGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000612438574 506580095 /nfs/dbraw/zinc/58/00/95/506580095.db2.gz AGWYKMFEZGVIRJ-QLFBSQMISA-N 1 1 355.442 3.380 20 5 FGBDMO C/C=C\C[C@H]1CCC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000599692821 506584746 /nfs/dbraw/zinc/58/47/46/506584746.db2.gz XZOZIQOHUHQZDM-GWQWAINWSA-N 1 1 352.456 3.047 20 5 FGBDMO C/C=C\C[C@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000599692821 506584750 /nfs/dbraw/zinc/58/47/50/506584750.db2.gz XZOZIQOHUHQZDM-GWQWAINWSA-N 1 1 352.456 3.047 20 5 FGBDMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000603730266 506604136 /nfs/dbraw/zinc/60/41/36/506604136.db2.gz DMRBRCNIFABSSP-MRXNPFEDSA-N 1 1 365.389 3.345 20 5 FGBDMO C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000599745992 506613893 /nfs/dbraw/zinc/61/38/93/506613893.db2.gz YHYFMTCKNAOOQM-FHLIZLRMSA-N 1 1 353.422 3.117 20 5 FGBDMO Cc1ccccc1[C@@H]1CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000603842640 506632229 /nfs/dbraw/zinc/63/22/29/506632229.db2.gz GQUBLHRNGYBQQI-XLIONFOSSA-N 1 1 356.422 3.480 20 5 FGBDMO C[C@@H]1C[C@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000593520543 506667853 /nfs/dbraw/zinc/66/78/53/506667853.db2.gz HCOVMWNYXVBDBS-KDOFPFPSSA-N 1 1 371.412 3.056 20 5 FGBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599834935 506668237 /nfs/dbraw/zinc/66/82/37/506668237.db2.gz PNIRACPVIRWPDW-UHFFFAOYSA-N 1 1 359.430 3.385 20 5 FGBDMO C[C@@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000589877292 506670420 /nfs/dbraw/zinc/67/04/20/506670420.db2.gz AXMMVZKHPIEOCF-NSHDSACASA-N 1 1 369.263 3.063 20 5 FGBDMO COC(=O)c1ccc(C[N@@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000604012367 506685214 /nfs/dbraw/zinc/68/52/14/506685214.db2.gz ZZUHLPOCBVTFLB-UHFFFAOYSA-N 1 1 358.394 3.282 20 5 FGBDMO C[C@@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000604122360 506721515 /nfs/dbraw/zinc/72/15/15/506721515.db2.gz LSBRFKKXXUWEPW-QAPCUYQASA-N 1 1 368.437 3.230 20 5 FGBDMO Cc1ccccc1[C@H](C)[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000604125231 506723242 /nfs/dbraw/zinc/72/32/42/506723242.db2.gz ZSUIYYJVIZBAKS-HNNXBMFYSA-N 1 1 353.422 3.485 20 5 FGBDMO CNc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000604312328 506783321 /nfs/dbraw/zinc/78/33/21/506783321.db2.gz SSYSOJFQZPJLJB-WMLDXEAASA-N 1 1 368.437 3.202 20 5 FGBDMO COc1ccc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c(OC)c1OC ZINC000583467779 506793441 /nfs/dbraw/zinc/79/34/41/506793441.db2.gz SMSMCCOBAOZTCI-UHFFFAOYSA-N 1 1 360.410 3.295 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCC[C@@](O)(C4CC4)C3)cs2)c1 ZINC000597205635 506833556 /nfs/dbraw/zinc/83/35/56/506833556.db2.gz NKRKZQJDTWLTES-SFHVURJKSA-N 1 1 359.451 3.455 20 5 FGBDMO Cc1ccc([C@H](C)[NH2+]Cc2ccc(OCC(F)(F)F)nn2)cc1[N+](=O)[O-] ZINC000593970855 506858166 /nfs/dbraw/zinc/85/81/66/506858166.db2.gz PCEAITHGSIZHMR-NSHDSACASA-N 1 1 370.331 3.485 20 5 FGBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000600229368 506862426 /nfs/dbraw/zinc/86/24/26/506862426.db2.gz QTJJFTABPBGEEA-CQSZACIVSA-N 1 1 351.834 3.385 20 5 FGBDMO CCc1nc(C[NH+]2CCC(CNc3cccnc3[N+](=O)[O-])CC2)cs1 ZINC000609517153 506906739 /nfs/dbraw/zinc/90/67/39/506906739.db2.gz VCMQGGPUTNLYTP-UHFFFAOYSA-N 1 1 361.471 3.333 20 5 FGBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC2(CCCCC2)O1 ZINC000594059309 506912570 /nfs/dbraw/zinc/91/25/70/506912570.db2.gz WFBOPNKDJHCVAM-HNNXBMFYSA-N 1 1 361.442 3.347 20 5 FGBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](c3ccco3)C2)c([N+](=O)[O-])c1 ZINC000609539838 506914379 /nfs/dbraw/zinc/91/43/79/506914379.db2.gz DYFFYILVQSLPPM-CYBMUJFWSA-N 1 1 359.382 3.015 20 5 FGBDMO COc1cc(-c2nc(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)no2)c([N+](=O)[O-])cc1F ZINC000590777967 506947978 /nfs/dbraw/zinc/94/79/78/506947978.db2.gz ALHAVAHTNMOXJB-FGWVZKOKSA-N 1 1 362.361 3.133 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000600470951 506961655 /nfs/dbraw/zinc/96/16/55/506961655.db2.gz QEWIIADBJHMNAE-APWZRJJASA-N 1 1 359.470 3.297 20 5 FGBDMO COc1cc(C[N@@H+]2CCC[C@H](c3ccnc(C)n3)C2)c([N+](=O)[O-])cc1F ZINC000613285990 507011230 /nfs/dbraw/zinc/01/12/30/507011230.db2.gz JEMBGTHFWZQFME-ZDUSSCGKSA-N 1 1 360.389 3.221 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@H](c3ccnc(C)n3)C2)c([N+](=O)[O-])cc1F ZINC000613285990 507011239 /nfs/dbraw/zinc/01/12/39/507011239.db2.gz JEMBGTHFWZQFME-ZDUSSCGKSA-N 1 1 360.389 3.221 20 5 FGBDMO CCOC(=O)c1ccnc(NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000609963060 507055792 /nfs/dbraw/zinc/05/57/92/507055792.db2.gz LOCNCLKDMXZYDW-CYBMUJFWSA-N 1 1 364.446 3.089 20 5 FGBDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C2 ZINC000597710373 507069653 /nfs/dbraw/zinc/06/96/53/507069653.db2.gz LFSAYPSIVLAPDH-MRXNPFEDSA-N 1 1 371.359 3.172 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000597859179 507137014 /nfs/dbraw/zinc/13/70/14/507137014.db2.gz AOWFQNHVUWXENA-GFCCVEGCSA-N 1 1 353.850 3.027 20 5 FGBDMO CCC(C)(C)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000594595198 507200342 /nfs/dbraw/zinc/20/03/42/507200342.db2.gz VYAUXCLRSHYKTO-UHFFFAOYSA-N 1 1 357.252 3.063 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(C2CCCC2)CC1 ZINC000610393436 507223580 /nfs/dbraw/zinc/22/35/80/507223580.db2.gz BUBFYYSTMWPSFC-UHFFFAOYSA-N 1 1 361.442 3.444 20 5 FGBDMO COc1ccc(CN2CC[C@@H]([NH2+][C@@H](C)c3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000610420524 507232824 /nfs/dbraw/zinc/23/28/24/507232824.db2.gz HXXQWEUUKGDXTC-KBXCAEBGSA-N 1 1 369.421 3.055 20 5 FGBDMO Cc1ccc([C@H](CNC(=O)c2c(F)cccc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000601030124 507234494 /nfs/dbraw/zinc/23/44/94/507234494.db2.gz IPSJSRSRYARUKS-HNNXBMFYSA-N 1 1 361.373 3.202 20 5 FGBDMO Cc1nc(CN2CCN(c3cc[nH+]c4ccc([N+](=O)[O-])cc43)CC2)oc1C ZINC000601113354 507264968 /nfs/dbraw/zinc/26/49/68/507264968.db2.gz DVFRNZBQRNGMGM-UHFFFAOYSA-N 1 1 367.409 3.070 20 5 FGBDMO C[C@H](c1nccs1)N1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601143512 507275474 /nfs/dbraw/zinc/27/54/74/507275474.db2.gz GBPHIFJVLBJXJW-CYBMUJFWSA-N 1 1 369.450 3.483 20 5 FGBDMO O=C1CCCN1[C@H]1CCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601176320 507287210 /nfs/dbraw/zinc/28/72/10/507287210.db2.gz NSECFZSEKPCVDN-AWEZNQCLSA-N 1 1 354.410 3.124 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000595009052 507352028 /nfs/dbraw/zinc/35/20/28/507352028.db2.gz YHRBBJLKYXEGPG-AWEZNQCLSA-N 1 1 356.426 3.449 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)c1 ZINC000610706747 507356794 /nfs/dbraw/zinc/35/67/94/507356794.db2.gz SSVHSBAGDWWFHZ-LJQANCHMSA-N 1 1 372.396 3.263 20 5 FGBDMO CCC[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C1 ZINC000598341588 507385441 /nfs/dbraw/zinc/38/54/41/507385441.db2.gz DFRDEBUANTUTJJ-ZDUSSCGKSA-N 1 1 351.472 3.309 20 5 FGBDMO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)n1 ZINC000595359239 507471468 /nfs/dbraw/zinc/47/14/68/507471468.db2.gz JAONPFUKXVOTKB-HNNXBMFYSA-N 1 1 372.400 3.288 20 5 FGBDMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)n1 ZINC000595359239 507471474 /nfs/dbraw/zinc/47/14/74/507471474.db2.gz JAONPFUKXVOTKB-HNNXBMFYSA-N 1 1 372.400 3.288 20 5 FGBDMO C[N@H+]1CC[C@]2(C1)CCCN(Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000595505815 507533568 /nfs/dbraw/zinc/53/35/68/507533568.db2.gz YXWACYGLRZEFBE-IBGZPJMESA-N 1 1 356.426 3.168 20 5 FGBDMO CC(C)N1CC[NH+](C2CCN([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000611181018 507550844 /nfs/dbraw/zinc/55/08/44/507550844.db2.gz SNIZDXFIPJBDGU-KRWDZBQOSA-N 1 1 360.502 3.146 20 5 FGBDMO CCc1nocc1C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000595561942 507561616 /nfs/dbraw/zinc/56/16/16/507561616.db2.gz GOTFFCZVJKXKGN-QAQDUYKDSA-N 1 1 359.426 3.451 20 5 FGBDMO CCc1nocc1C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000595561942 507561622 /nfs/dbraw/zinc/56/16/22/507561622.db2.gz GOTFFCZVJKXKGN-QAQDUYKDSA-N 1 1 359.426 3.451 20 5 FGBDMO C[N@H+](CCOCc1ccccc1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611285822 507604063 /nfs/dbraw/zinc/60/40/63/507604063.db2.gz ZSWNSQCKBWMING-UHFFFAOYSA-N 1 1 358.394 3.015 20 5 FGBDMO C[N@@H+](CCOCc1ccccc1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611285822 507604072 /nfs/dbraw/zinc/60/40/72/507604072.db2.gz ZSWNSQCKBWMING-UHFFFAOYSA-N 1 1 358.394 3.015 20 5 FGBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000595781882 507682377 /nfs/dbraw/zinc/68/23/77/507682377.db2.gz UPHVSOLMTUCRLH-MRXNPFEDSA-N 1 1 360.458 3.143 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000595786573 507683074 /nfs/dbraw/zinc/68/30/74/507683074.db2.gz BPPASSXOMSCCJO-VKJFTORMSA-N 1 1 361.442 3.203 20 5 FGBDMO O=C(CC[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000595785364 507683673 /nfs/dbraw/zinc/68/36/73/507683673.db2.gz DYEQNPFVRJMLIB-CRAIPNDOSA-N 1 1 361.442 3.205 20 5 FGBDMO CCc1cc(N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611510260 507713571 /nfs/dbraw/zinc/71/35/71/507713571.db2.gz YLTBRMIOXICOOL-KBXCAEBGSA-N 1 1 367.453 3.145 20 5 FGBDMO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000611517066 507718081 /nfs/dbraw/zinc/71/80/81/507718081.db2.gz PMYMJKHFIMBCRM-CQSZACIVSA-N 1 1 350.415 3.015 20 5 FGBDMO O=[N+]([O-])c1cc2c(ncnc2N2CC[C@H](n3c[nH+]c4c3CCCC4)C2)s1 ZINC000588024729 507738708 /nfs/dbraw/zinc/73/87/08/507738708.db2.gz CFEZEGXXKIQBNK-NSHDSACASA-N 1 1 370.438 3.126 20 5 FGBDMO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)cc1[N+](=O)[O-] ZINC000822228675 607057930 /nfs/dbraw/zinc/05/79/30/607057930.db2.gz BYZSCFWTYPHDQD-LLVKDONJSA-N 1 1 356.361 3.073 20 5 FGBDMO CC(C)[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000077356726 700250052 /nfs/dbraw/zinc/25/00/52/700250052.db2.gz ZFLBEVPBIVHXOB-UHFFFAOYSA-N 1 1 355.822 3.076 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000139595587 704878255 /nfs/dbraw/zinc/87/82/55/704878255.db2.gz VVGLQNITMYKJMC-ZDUSSCGKSA-N 1 1 353.850 3.346 20 5 FGBDMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152700856 704971188 /nfs/dbraw/zinc/97/11/88/704971188.db2.gz IWMAPQDJKLQISV-OAHLLOKOSA-N 1 1 363.801 3.408 20 5 FGBDMO CCS[C@H]1CC[C@@H]([N@@H+](C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000173487592 705461043 /nfs/dbraw/zinc/46/10/43/705461043.db2.gz FURIDQGSVZJCKN-CVEARBPZSA-N 1 1 361.471 3.417 20 5 FGBDMO CCS[C@H]1CC[C@@H]([N@@H+](C)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000173488145 705461297 /nfs/dbraw/zinc/46/12/97/705461297.db2.gz FBAVXJHLFHXSQK-ZBFHGGJFSA-N 1 1 361.471 3.417 20 5 FGBDMO O=[N+]([O-])c1cn(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)nc1-c1ccncc1 ZINC000176825731 705593121 /nfs/dbraw/zinc/59/31/21/705593121.db2.gz NYKQPKKNYQRMTG-HOCLYGCPSA-N 1 1 359.455 3.171 20 5 FGBDMO O=[N+]([O-])c1cn(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)nc1-c1ccncc1 ZINC000176825731 705593122 /nfs/dbraw/zinc/59/31/22/705593122.db2.gz NYKQPKKNYQRMTG-HOCLYGCPSA-N 1 1 359.455 3.171 20 5 FGBDMO C[N@H+]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000177514229 705625541 /nfs/dbraw/zinc/62/55/41/705625541.db2.gz FKNCFRZQFQXIDN-UHFFFAOYSA-N 1 1 351.834 3.339 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CCC(c3cn[nH]c3)CC2)c1 ZINC000374309414 713912536 /nfs/dbraw/zinc/91/25/36/713912536.db2.gz LWVDNXSBHSMVMF-UHFFFAOYSA-N 1 1 352.341 3.299 20 5 FGBDMO CC(C)C[N@H+]1CCO[C@H](CNc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000524267186 714275613 /nfs/dbraw/zinc/27/56/13/714275613.db2.gz HFZCSZXNZSHNRO-CYBMUJFWSA-N 1 1 372.263 3.126 20 5 FGBDMO C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@@H]1CCCC[C@@H]1O ZINC000779152808 724395740 /nfs/dbraw/zinc/39/57/40/724395740.db2.gz GNOPTGUDWJMHGC-WFASDCNBSA-N 1 1 357.248 3.340 20 5 FGBDMO C[C@@H](c1ccsc1)[NH+]1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000765087433 723477751 /nfs/dbraw/zinc/47/77/51/723477751.db2.gz LXXDTFZAAJOVFG-ZDUSSCGKSA-N 1 1 357.439 3.187 20 5 FGBDMO CCC1(CO)CC[NH+](Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000769469502 723686679 /nfs/dbraw/zinc/68/66/79/723686679.db2.gz ZHHPUHPMDFBPKH-UHFFFAOYSA-N 1 1 357.248 3.342 20 5 FGBDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000803638594 724457351 /nfs/dbraw/zinc/45/73/51/724457351.db2.gz XVGLLIRXIFLKKZ-UHFFFAOYSA-N 1 1 365.817 3.435 20 5 FGBDMO Cc1cnc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c([N+](=O)[O-])c1 ZINC001164626470 719055780 /nfs/dbraw/zinc/05/57/80/719055780.db2.gz RLWZWLWZOYQPMZ-MJGOQNOKSA-N 1 1 352.438 3.399 20 5 FGBDMO C[N@H+]1CCCC[C@H]1CCOC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000781712741 724589592 /nfs/dbraw/zinc/58/95/92/724589592.db2.gz KTOWUCOQFBLCBQ-LBPRGKRZSA-N 1 1 358.341 3.227 20 5 FGBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cn3ccc(-c4ccsc4)n3)CC2)n1 ZINC000782860941 724705040 /nfs/dbraw/zinc/70/50/40/724705040.db2.gz SLCCFDGZGQQKGB-UHFFFAOYSA-N 1 1 358.427 3.011 20 5 FGBDMO C[C@@H]1C[N@H+](C[C@H]2CCCN2Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000746662716 722612859 /nfs/dbraw/zinc/61/28/59/722612859.db2.gz GVEDNPKQSUZYRQ-JKIFEVAISA-N 1 1 367.877 3.322 20 5 FGBDMO O=[N+]([O-])c1cc(F)c(N2CC[NH+](CCc3cccs3)CC2)c(F)c1 ZINC000749316149 722724462 /nfs/dbraw/zinc/72/44/62/722724462.db2.gz JUTLCJWCHXKPJN-UHFFFAOYSA-N 1 1 353.394 3.299 20 5 FGBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000755920360 722958509 /nfs/dbraw/zinc/95/85/09/722958509.db2.gz HFJCSOAWANEXFM-SNVBAGLBSA-N 1 1 351.204 3.085 20 5 FGBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756942612 722972212 /nfs/dbraw/zinc/97/22/12/722972212.db2.gz PEVOMFGWYHPAMT-CQSZACIVSA-N 1 1 368.865 3.312 20 5 FGBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790571161 723154562 /nfs/dbraw/zinc/15/45/62/723154562.db2.gz CTKXHTROJFBMBL-VXGBXAGGSA-N 1 1 371.840 3.166 20 5 FGBDMO O=[N+]([O-])c1ccc(Cl)cc1NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000791407063 723240076 /nfs/dbraw/zinc/24/00/76/723240076.db2.gz DSHVNCAEROXSCA-MRXNPFEDSA-N 1 1 361.829 3.079 20 5 FGBDMO COC(=O)c1cc([N+](=O)[O-])c(NC[C@H]2CCCC[N@H+]2C2CC2)cc1Cl ZINC000764941835 723462138 /nfs/dbraw/zinc/46/21/38/723462138.db2.gz OWAXYLWQUGMFLB-GFCCVEGCSA-N 1 1 367.833 3.464 20 5 FGBDMO COC(=O)c1cc([N+](=O)[O-])c(NC[C@@H]2CC[N@H+](C(C)C)C2)cc1Cl ZINC000765488399 723516906 /nfs/dbraw/zinc/51/69/06/723516906.db2.gz KEGYRWPPLOBSIS-NSHDSACASA-N 1 1 355.822 3.177 20 5 FGBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2cc(Cl)c(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000765514270 723519632 /nfs/dbraw/zinc/51/96/32/723519632.db2.gz OBUIMBQRRGARIX-LBPRGKRZSA-N 1 1 369.849 3.203 20 5 FGBDMO COC(=O)CC[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)CC(C)C ZINC000768850472 723669522 /nfs/dbraw/zinc/66/95/22/723669522.db2.gz KOWOWJBVOHTQDN-UHFFFAOYSA-N 1 1 373.247 3.378 20 5 FGBDMO CC[C@H](O)[C@H]1CCCC[N@@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000769390189 723684049 /nfs/dbraw/zinc/68/40/49/723684049.db2.gz WDWDVJYLJPLYNN-CABCVRRESA-N 1 1 357.248 3.483 20 5 FGBDMO CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000769390189 723684050 /nfs/dbraw/zinc/68/40/50/723684050.db2.gz WDWDVJYLJPLYNN-CABCVRRESA-N 1 1 357.248 3.483 20 5 FGBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000770287570 723710303 /nfs/dbraw/zinc/71/03/03/723710303.db2.gz ZMQGGENAGUCNEC-BXUZGUMPSA-N 1 1 355.232 3.358 20 5 FGBDMO C[N@H+](Cc1ccc(OC(F)F)cc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776271926 724127074 /nfs/dbraw/zinc/12/70/74/724127074.db2.gz OVNFKHUYOHHRDB-MRXNPFEDSA-N 1 1 352.337 3.362 20 5 FGBDMO CCCCN(C)C(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000801510794 724307954 /nfs/dbraw/zinc/30/79/54/724307954.db2.gz FXTDNQZMBLSNGN-UHFFFAOYSA-N 1 1 351.422 3.204 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000778943194 724375144 /nfs/dbraw/zinc/37/51/44/724375144.db2.gz ABLCRADPGIJLEH-BXUZGUMPSA-N 1 1 359.348 3.059 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000778943194 724375146 /nfs/dbraw/zinc/37/51/46/724375146.db2.gz ABLCRADPGIJLEH-BXUZGUMPSA-N 1 1 359.348 3.059 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000778943197 724375192 /nfs/dbraw/zinc/37/51/92/724375192.db2.gz ABLCRADPGIJLEH-SMDDNHRTSA-N 1 1 359.348 3.059 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000778943197 724375195 /nfs/dbraw/zinc/37/51/95/724375195.db2.gz ABLCRADPGIJLEH-SMDDNHRTSA-N 1 1 359.348 3.059 20 5 FGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)n1 ZINC000784487342 724857844 /nfs/dbraw/zinc/85/78/44/724857844.db2.gz RBHHUHYJGXZKHD-CYBMUJFWSA-N 1 1 354.332 3.300 20 5 FGBDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000788475568 725066504 /nfs/dbraw/zinc/06/65/04/725066504.db2.gz FCSYVKFCIPSPPK-ZFWWWQNUSA-N 1 1 351.422 3.251 20 5 FGBDMO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000809696270 725259464 /nfs/dbraw/zinc/25/94/64/725259464.db2.gz GHIOAQOXKKXKCU-VOKGJARPSA-N 1 1 358.316 3.035 20 5 FGBDMO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000809696270 725259465 /nfs/dbraw/zinc/25/94/65/725259465.db2.gz GHIOAQOXKKXKCU-VOKGJARPSA-N 1 1 358.316 3.035 20 5 FGBDMO COCCCOCC[N@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809970141 725279528 /nfs/dbraw/zinc/27/95/28/725279528.db2.gz OSSOYAGMKBGGNK-UHFFFAOYSA-N 1 1 351.230 3.387 20 5 FGBDMO COCCCOCC[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809970141 725279530 /nfs/dbraw/zinc/27/95/30/725279530.db2.gz OSSOYAGMKBGGNK-UHFFFAOYSA-N 1 1 351.230 3.387 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000810836598 725330133 /nfs/dbraw/zinc/33/01/33/725330133.db2.gz GYLVXEKIOSMBJZ-TZMCWYRMSA-N 1 1 350.440 3.490 20 5 FGBDMO COC(=O)c1cc([N+](=O)[O-])c(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1Cl ZINC000811812433 725381187 /nfs/dbraw/zinc/38/11/87/725381187.db2.gz RLESRJAMJHHMJG-UWVGGRQHSA-N 1 1 353.806 3.072 20 5 FGBDMO Cc1ccc(CC(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)s1 ZINC000813173639 726846634 /nfs/dbraw/zinc/84/66/34/726846634.db2.gz GBUTZIVYHFYONR-INIZCTEOSA-N 1 1 360.435 3.325 20 5 FGBDMO Cc1ccc(CC(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)s1 ZINC000813173639 726846637 /nfs/dbraw/zinc/84/66/37/726846637.db2.gz GBUTZIVYHFYONR-INIZCTEOSA-N 1 1 360.435 3.325 20 5 FGBDMO O=C(/C=C\c1ccsc1)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813174459 726846702 /nfs/dbraw/zinc/84/67/02/726846702.db2.gz TZFCRBLISFNNLS-CHYADLBTSA-N 1 1 358.419 3.487 20 5 FGBDMO O=C(/C=C\c1ccsc1)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813174459 726846706 /nfs/dbraw/zinc/84/67/06/726846706.db2.gz TZFCRBLISFNNLS-CHYADLBTSA-N 1 1 358.419 3.487 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Cl)[C@H]1c1ccccc1 ZINC000816956076 727209938 /nfs/dbraw/zinc/20/99/38/727209938.db2.gz WXDYPWZVPJUSIN-RHSMWYFYSA-N 1 1 359.813 3.423 20 5 FGBDMO Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000822813648 729221895 /nfs/dbraw/zinc/22/18/95/729221895.db2.gz XYOXKSNAQQAODO-VIFPVBQESA-N 1 1 353.220 3.250 20 5 FGBDMO CC(C)(C[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1)C(N)=O ZINC000824608165 729350403 /nfs/dbraw/zinc/35/04/03/729350403.db2.gz BTUYVEYXLMNXJP-GFCCVEGCSA-N 1 1 353.850 3.362 20 5 FGBDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2nn[nH]n2)cc1 ZINC000824619257 729351347 /nfs/dbraw/zinc/35/13/47/729351347.db2.gz VVDGBIRSXLKWQJ-JTQLQIEISA-N 1 1 358.789 3.279 20 5 FGBDMO Cc1cc(Cl)c(C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000825529196 729386759 /nfs/dbraw/zinc/38/67/59/729386759.db2.gz ATJZAASSBSTTQO-AAEUAGOBSA-N 1 1 353.850 3.407 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000827142893 729425562 /nfs/dbraw/zinc/42/55/62/729425562.db2.gz UYEBMSYYNKMEDB-ZDUSSCGKSA-N 1 1 353.850 3.346 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)OCC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000835605274 729904945 /nfs/dbraw/zinc/90/49/45/729904945.db2.gz VPXCYXWPBCEQGY-YHWZYXNKSA-N 1 1 350.440 3.346 20 5 FGBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000843774183 730653560 /nfs/dbraw/zinc/65/35/60/730653560.db2.gz IOWUSBFIYQCNMC-LBPRGKRZSA-N 1 1 351.422 3.283 20 5 FGBDMO CCn1nc(C)c(C[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])c1C ZINC000883287717 737547493 /nfs/dbraw/zinc/54/74/93/737547493.db2.gz CCVLROKHGKUJRF-UHFFFAOYSA-N 1 1 367.247 3.480 20 5 FGBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000852314449 731569497 /nfs/dbraw/zinc/56/94/97/731569497.db2.gz SYEWFULDGASJJA-JTQLQIEISA-N 1 1 356.213 3.015 20 5 FGBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000852314449 731569499 /nfs/dbraw/zinc/56/94/99/731569499.db2.gz SYEWFULDGASJJA-JTQLQIEISA-N 1 1 356.213 3.015 20 5 FGBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000853848421 731762309 /nfs/dbraw/zinc/76/23/09/731762309.db2.gz YFEGZAFOCBDSMD-UHFFFAOYSA-N 1 1 356.854 3.168 20 5 FGBDMO CO[C@H]1C[N@@H+](C)[C@](C)(COC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000861341111 732667058 /nfs/dbraw/zinc/66/70/58/732667058.db2.gz NMHKUXKDROYGDR-DYVFJYSZSA-N 1 1 364.423 3.076 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CCC[N@@H+](C[C@H]3CCCO3)CC2)c(C(F)F)c1 ZINC000865435561 733200335 /nfs/dbraw/zinc/20/03/35/733200335.db2.gz KGBGAEKKHAZUMO-CQSZACIVSA-N 1 1 355.385 3.224 20 5 FGBDMO CN1CCC([N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cc3C(F)F)C2)CC1 ZINC000865535482 733222354 /nfs/dbraw/zinc/22/23/54/733222354.db2.gz MVJBJUSIQQMADW-LBPRGKRZSA-N 1 1 354.401 3.113 20 5 FGBDMO C[NH+]1CCC(N2CC[C@H](Nc3ccc([N+](=O)[O-])cc3C(F)F)C2)CC1 ZINC000865535482 733222358 /nfs/dbraw/zinc/22/23/58/733222358.db2.gz MVJBJUSIQQMADW-LBPRGKRZSA-N 1 1 354.401 3.113 20 5 FGBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(N(C)C)CCOCC1 ZINC000872036352 735579965 /nfs/dbraw/zinc/57/99/65/735579965.db2.gz UJMUTWIZOFDJPP-CYBMUJFWSA-N 1 1 353.488 3.078 20 5 FGBDMO C[C@]1(C(F)(F)F)CC[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000872803886 735678812 /nfs/dbraw/zinc/67/88/12/735678812.db2.gz DVLGBTVBXBKQQJ-AWEZNQCLSA-N 1 1 355.320 3.085 20 5 FGBDMO C[C@]1(C(F)(F)F)CC[N@@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000872803886 735678815 /nfs/dbraw/zinc/67/88/15/735678815.db2.gz DVLGBTVBXBKQQJ-AWEZNQCLSA-N 1 1 355.320 3.085 20 5 FGBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000874827054 735935310 /nfs/dbraw/zinc/93/53/10/735935310.db2.gz BPCKWHJIXZBXCZ-CHWSQXEVSA-N 1 1 358.225 3.210 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C[C@H](C)C1(F)F ZINC000879030859 736948213 /nfs/dbraw/zinc/94/82/13/736948213.db2.gz PFQNXJHXCZVLEY-PHIMTYICSA-N 1 1 352.341 3.368 20 5 FGBDMO C[C@@H]1C[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C[C@H](C)C1(F)F ZINC000879030859 736948214 /nfs/dbraw/zinc/94/82/14/736948214.db2.gz PFQNXJHXCZVLEY-PHIMTYICSA-N 1 1 352.341 3.368 20 5 FGBDMO O=[N+]([O-])c1cc2cnn(C[N@H+]3CC[C@H]([C@@H]4CCCO4)C3)c2c(Cl)c1 ZINC000884481298 737667708 /nfs/dbraw/zinc/66/77/08/737667708.db2.gz IUVYZFOGTCSFFV-NHYWBVRUSA-N 1 1 350.806 3.056 20 5 FGBDMO Cc1csc(C[C@H]2CCC[N@@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000886691838 739285341 /nfs/dbraw/zinc/28/53/41/739285341.db2.gz NRPWXPYWEVQAGW-RHSMWYFYSA-N 1 1 361.467 3.348 20 5 FGBDMO C[C@@H](CNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)[N@@H+](C)C1CC1 ZINC000896137579 742500639 /nfs/dbraw/zinc/50/06/39/742500639.db2.gz GRZSZDXKJDLCDX-ZETCQYMHSA-N 1 1 364.204 3.253 20 5 FGBDMO CC[N@H+]1CCC[C@@H](CNC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000931125180 760784449 /nfs/dbraw/zinc/78/44/49/760784449.db2.gz GURZAWNPOAGQGL-ZDUSSCGKSA-N 1 1 353.850 3.029 20 5 FGBDMO O=[N+]([O-])c1ccc(Br)c(C[NH2+][C@@H]2CCCn3nccc32)c1 ZINC000931569422 760899215 /nfs/dbraw/zinc/89/92/15/760899215.db2.gz LHDYHYDQPGDAOE-CYBMUJFWSA-N 1 1 351.204 3.179 20 5 FGBDMO O=[N+]([O-])c1ncccc1C[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000932205118 761086389 /nfs/dbraw/zinc/08/63/89/761086389.db2.gz KROSNGIRIDPAKE-ZDUSSCGKSA-N 1 1 364.199 3.366 20 5 FGBDMO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CSC)CC2)c([N+](=O)[O-])c1 ZINC000932589662 761196241 /nfs/dbraw/zinc/19/62/41/761196241.db2.gz NHGKMXZPQMPCME-LBPRGKRZSA-N 1 1 367.471 3.005 20 5 FGBDMO COC(=O)c1cnc([C@H]2CC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)s1 ZINC000932670118 761214287 /nfs/dbraw/zinc/21/42/87/761214287.db2.gz CYADRMYUEXXBTG-ZDUSSCGKSA-N 1 1 361.423 3.136 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000933440089 761390293 /nfs/dbraw/zinc/39/02/93/761390293.db2.gz XTQULVIMLOAOLP-BBRMVZONSA-N 1 1 367.877 3.370 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CCCSC[C@@H]2C2CC2)o1 ZINC000933912437 761493991 /nfs/dbraw/zinc/49/39/91/761493991.db2.gz KREFPIZVZHKRHE-OAHLLOKOSA-N 1 1 360.439 3.362 20 5 FGBDMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1cncs1 ZINC000934198918 761558238 /nfs/dbraw/zinc/55/82/38/761558238.db2.gz RTLRAQLEKBRZIU-BDAKNGLRSA-N 1 1 354.819 3.383 20 5 FGBDMO C[C@](CO)([NH2+]Cc1csc([N+](=O)[O-])c1)c1cccc(Br)c1 ZINC000934498005 761638440 /nfs/dbraw/zinc/63/84/40/761638440.db2.gz VLAZYPGNSXTENZ-CQSZACIVSA-N 1 1 371.256 3.416 20 5 FGBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000935004131 761764644 /nfs/dbraw/zinc/76/46/44/761764644.db2.gz ZFUZSXYSNYBTGP-CQSZACIVSA-N 1 1 365.499 3.415 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CC(C)(C)[C@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000573588963 505572732 /nfs/dbraw/zinc/57/27/32/505572732.db2.gz SOAYOGUASWCRJP-GJZGRUSLSA-N 1 1 362.426 3.157 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000579626333 505589314 /nfs/dbraw/zinc/58/93/14/505589314.db2.gz SGAHUSYQRHGRHY-OAHLLOKOSA-N 1 1 374.485 3.175 20 5 FGBDMO COC[C@H]1CC[N@H+]1Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000568006030 505594760 /nfs/dbraw/zinc/59/47/60/505594760.db2.gz NPRNNYKDKPEKDA-GOSISDBHSA-N 1 1 372.421 3.403 20 5 FGBDMO Cc1cccc([C@H]2CCCCC[N@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000075748550 493775574 /nfs/dbraw/zinc/77/55/74/493775574.db2.gz QMRFGSGJQAKTAC-RBUKOAKNSA-N 1 1 358.442 3.078 20 5 FGBDMO C[N@@H+](CCCOc1ccccc1)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000029855055 493862842 /nfs/dbraw/zinc/86/28/42/493862842.db2.gz OXYBSCRZQLUARV-UHFFFAOYSA-N 1 1 357.410 3.324 20 5 FGBDMO CC(C)[N@H+]1CCCN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000068799407 493876248 /nfs/dbraw/zinc/87/62/48/493876248.db2.gz PHUDEFQKQYMUBY-CQSZACIVSA-N 1 1 351.472 3.018 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000060369960 493927949 /nfs/dbraw/zinc/92/79/49/493927949.db2.gz HAJTXUKHENUREP-KRWDZBQOSA-N 1 1 368.437 3.418 20 5 FGBDMO C[C@@H](c1cc(F)ccc1F)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000051407584 493967356 /nfs/dbraw/zinc/96/73/56/493967356.db2.gz QQCVNKKLZKPOEX-WFASDCNBSA-N 1 1 366.364 3.306 20 5 FGBDMO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000051407584 493967360 /nfs/dbraw/zinc/96/73/60/493967360.db2.gz QQCVNKKLZKPOEX-WFASDCNBSA-N 1 1 366.364 3.306 20 5 FGBDMO COc1ccc(CN2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)cc1F ZINC000051823719 493989816 /nfs/dbraw/zinc/98/98/16/493989816.db2.gz DDFXUYOWGUSFDG-UHFFFAOYSA-N 1 1 373.428 3.103 20 5 FGBDMO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000007788142 494042945 /nfs/dbraw/zinc/04/29/45/494042945.db2.gz KZVAFQXHJNLJAN-UHFFFAOYSA-N 1 1 353.422 3.488 20 5 FGBDMO CCCOc1ccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1 ZINC000571276677 505696668 /nfs/dbraw/zinc/69/66/68/505696668.db2.gz VWRIGVFKCLJZRM-UHFFFAOYSA-N 1 1 356.426 3.101 20 5 FGBDMO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)CC1CCCC1 ZINC000064021481 494101727 /nfs/dbraw/zinc/10/17/27/494101727.db2.gz YIIQIJPUFIHQMX-UHFFFAOYSA-N 1 1 370.247 3.418 20 5 FGBDMO Cc1ccc(CNC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000064350445 494116493 /nfs/dbraw/zinc/11/64/93/494116493.db2.gz SLPMZHWXPLVXEU-UHFFFAOYSA-N 1 1 355.438 3.430 20 5 FGBDMO Cc1ccc(CNC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000064350445 494116497 /nfs/dbraw/zinc/11/64/97/494116497.db2.gz SLPMZHWXPLVXEU-UHFFFAOYSA-N 1 1 355.438 3.430 20 5 FGBDMO COc1cccc(NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000064350557 494116788 /nfs/dbraw/zinc/11/67/88/494116788.db2.gz CSYPPSCWHXKQMG-UHFFFAOYSA-N 1 1 357.410 3.453 20 5 FGBDMO COc1cccc(NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000064350557 494116793 /nfs/dbraw/zinc/11/67/93/494116793.db2.gz CSYPPSCWHXKQMG-UHFFFAOYSA-N 1 1 357.410 3.453 20 5 FGBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc([N+](=O)[O-])c1 ZINC000064521803 494131316 /nfs/dbraw/zinc/13/13/16/494131316.db2.gz UNACNBVWDZXTNL-CQSZACIVSA-N 1 1 359.451 3.298 20 5 FGBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000010339639 494150038 /nfs/dbraw/zinc/15/00/38/494150038.db2.gz XAAOWTUDKKIYNS-KRWDZBQOSA-N 1 1 355.394 3.379 20 5 FGBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000010339639 494150044 /nfs/dbraw/zinc/15/00/44/494150044.db2.gz XAAOWTUDKKIYNS-KRWDZBQOSA-N 1 1 355.394 3.379 20 5 FGBDMO COc1ccc(C2CC[NH+](CC(=O)Nc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000072490538 494185526 /nfs/dbraw/zinc/18/55/26/494185526.db2.gz LAVXVMHERPTPLU-UHFFFAOYSA-N 1 1 369.421 3.422 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000065523596 494209966 /nfs/dbraw/zinc/20/99/66/494209966.db2.gz IOQSPVSOEIKZCB-GASCZTMLSA-N 1 1 362.474 3.151 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000054260549 494212842 /nfs/dbraw/zinc/21/28/42/494212842.db2.gz ZMLAOSDGUABCOH-BETUJISGSA-N 1 1 351.422 3.220 20 5 FGBDMO Cc1ccc(N2CCC(C(=O)N3CCc4c3cccc4[N+](=O)[O-])CC2)[nH+]c1 ZINC000078148693 494240863 /nfs/dbraw/zinc/24/08/63/494240863.db2.gz QVUVDLVDKILNQI-UHFFFAOYSA-N 1 1 366.421 3.104 20 5 FGBDMO COCCOC[C@H]1CC[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000072796722 494252083 /nfs/dbraw/zinc/25/20/83/494252083.db2.gz ISYBIHZXJKNFJZ-INIZCTEOSA-N 1 1 367.445 3.431 20 5 FGBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000072810337 494255099 /nfs/dbraw/zinc/25/50/99/494255099.db2.gz YWKOSUIWKRZLGP-IRXDYDNUSA-N 1 1 359.470 3.250 20 5 FGBDMO CCS[C@H]1CC[C@@H]([N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000072837715 494261511 /nfs/dbraw/zinc/26/15/11/494261511.db2.gz NEUSTOCGFZZDQM-ZBFHGGJFSA-N 1 1 363.483 3.090 20 5 FGBDMO COc1ccc(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000043086402 494262699 /nfs/dbraw/zinc/26/26/99/494262699.db2.gz YQFXZBTUGQDOQW-UHFFFAOYSA-N 1 1 371.437 3.374 20 5 FGBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000054775151 494269420 /nfs/dbraw/zinc/26/94/20/494269420.db2.gz JLDHPXVVPMHXTA-UHFFFAOYSA-N 1 1 371.412 3.390 20 5 FGBDMO COc1ccccc1[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1C)[NH+](C)C ZINC000043149755 494270941 /nfs/dbraw/zinc/27/09/41/494270941.db2.gz HFRSBGDMUJLSRU-KRWDZBQOSA-N 1 1 372.425 3.336 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000043149318 494271052 /nfs/dbraw/zinc/27/10/52/494271052.db2.gz AQWKOPBDLVJQEM-UHFFFAOYSA-N 1 1 368.437 3.473 20 5 FGBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000089306266 494286802 /nfs/dbraw/zinc/28/68/02/494286802.db2.gz MXCCDEYPYKCEMQ-LJQANCHMSA-N 1 1 371.412 3.057 20 5 FGBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000089306266 494286804 /nfs/dbraw/zinc/28/68/04/494286804.db2.gz MXCCDEYPYKCEMQ-LJQANCHMSA-N 1 1 371.412 3.057 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)c1 ZINC000055404545 494338649 /nfs/dbraw/zinc/33/86/49/494338649.db2.gz UGJSZQHOJWLAPO-QWHCGFSZSA-N 1 1 351.472 3.167 20 5 FGBDMO Cc1ccc(OCC[N@@H+](C)[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000015102902 494339929 /nfs/dbraw/zinc/33/99/29/494339929.db2.gz CABXBZLTQUVJLW-OAHLLOKOSA-N 1 1 357.410 3.241 20 5 FGBDMO Cc1ccc(OCC[N@H+](C)[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000015102902 494339930 /nfs/dbraw/zinc/33/99/30/494339930.db2.gz CABXBZLTQUVJLW-OAHLLOKOSA-N 1 1 357.410 3.241 20 5 FGBDMO Cc1ccc(OCC[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000015102903 494340244 /nfs/dbraw/zinc/34/02/44/494340244.db2.gz CABXBZLTQUVJLW-HNNXBMFYSA-N 1 1 357.410 3.241 20 5 FGBDMO Cc1ccc(OCC[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000015102903 494340249 /nfs/dbraw/zinc/34/02/49/494340249.db2.gz CABXBZLTQUVJLW-HNNXBMFYSA-N 1 1 357.410 3.241 20 5 FGBDMO COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000015509317 494356698 /nfs/dbraw/zinc/35/66/98/494356698.db2.gz YUTBHGIYILLRQJ-QWHCGFSZSA-N 1 1 373.409 3.290 20 5 FGBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000056168299 494464683 /nfs/dbraw/zinc/46/46/83/494464683.db2.gz ZOVUBXVYRDMGOF-YJBOKZPZSA-N 1 1 353.422 3.089 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000020936001 494483556 /nfs/dbraw/zinc/48/35/56/494483556.db2.gz SLUBAIKBUCRQLW-MRXNPFEDSA-N 1 1 373.409 3.153 20 5 FGBDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000046980442 494602267 /nfs/dbraw/zinc/60/22/67/494602267.db2.gz ZUVRWEQAEIBJLS-CQSZACIVSA-N 1 1 356.426 3.085 20 5 FGBDMO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000574258618 505732437 /nfs/dbraw/zinc/73/24/37/505732437.db2.gz HRIVKKQDDHLOFV-HNNXBMFYSA-N 1 1 373.428 3.255 20 5 FGBDMO CC[N@H+](CCc1nccs1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000121207233 494645417 /nfs/dbraw/zinc/64/54/17/494645417.db2.gz WEJTYSMXBGQCKC-ZDUSSCGKSA-N 1 1 362.455 3.251 20 5 FGBDMO CC[N@@H+](CCc1nccs1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000121207233 494645420 /nfs/dbraw/zinc/64/54/20/494645420.db2.gz WEJTYSMXBGQCKC-ZDUSSCGKSA-N 1 1 362.455 3.251 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000091701731 494651697 /nfs/dbraw/zinc/65/16/97/494651697.db2.gz FPSFAPADQCSCRU-ZDUSSCGKSA-N 1 1 358.398 3.020 20 5 FGBDMO COCC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)Cc1ccccc1 ZINC000121287952 494684257 /nfs/dbraw/zinc/68/42/57/494684257.db2.gz NWSWRAKFQQGNQV-UHFFFAOYSA-N 1 1 371.437 3.380 20 5 FGBDMO Cc1[nH+]c(N2CCOCC2)ccc1Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000092686307 494711888 /nfs/dbraw/zinc/71/18/88/494711888.db2.gz AAFSNQWEXSUYBH-UHFFFAOYSA-N 1 1 365.393 3.427 20 5 FGBDMO C[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)Cc1ccccc1 ZINC000126393129 494735728 /nfs/dbraw/zinc/73/57/28/494735728.db2.gz ZWNKYGWRKKKSKO-UHFFFAOYSA-N 1 1 364.405 3.005 20 5 FGBDMO C[C@@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000025500317 494749346 /nfs/dbraw/zinc/74/93/46/494749346.db2.gz AKKSQKXXZBYLQJ-NSHDSACASA-N 1 1 362.411 3.423 20 5 FGBDMO C[C@@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000025500317 494749354 /nfs/dbraw/zinc/74/93/54/494749354.db2.gz AKKSQKXXZBYLQJ-NSHDSACASA-N 1 1 362.411 3.423 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@@H](c3nccs3)C2)c([N+](=O)[O-])cc1OC ZINC000092788701 494750062 /nfs/dbraw/zinc/75/00/62/494750062.db2.gz TXRZEVCDNYEPPE-GFCCVEGCSA-N 1 1 363.439 3.448 20 5 FGBDMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])o3)c2)C[C@@H](C)O1 ZINC000121464572 494768582 /nfs/dbraw/zinc/76/85/82/494768582.db2.gz HLWURFVOQMLCKZ-CHWSQXEVSA-N 1 1 359.382 3.049 20 5 FGBDMO COc1cc(C[N@@H+](C)[C@H](C)[C@H]2Cc3ccccc3O2)c([N+](=O)[O-])cc1OC ZINC000092063780 494773896 /nfs/dbraw/zinc/77/38/96/494773896.db2.gz XVEGPLFATIYYDU-FZKQIMNGSA-N 1 1 372.421 3.436 20 5 FGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000131923403 494774627 /nfs/dbraw/zinc/77/46/27/494774627.db2.gz GHOSMPBRTRMNTQ-GOSISDBHSA-N 1 1 357.410 3.430 20 5 FGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000131923403 494774634 /nfs/dbraw/zinc/77/46/34/494774634.db2.gz GHOSMPBRTRMNTQ-GOSISDBHSA-N 1 1 357.410 3.430 20 5 FGBDMO Cc1sc(C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000108818479 494790798 /nfs/dbraw/zinc/79/07/98/494790798.db2.gz TYRHINPFVWCTAT-TXEJJXNPSA-N 1 1 353.488 3.451 20 5 FGBDMO Cn1cc(C[N@H+]2CCC[C@H](n3cccn3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092967023 494797803 /nfs/dbraw/zinc/79/78/03/494797803.db2.gz FWWWCRZPCCCQNP-SFHVURJKSA-N 1 1 366.425 3.029 20 5 FGBDMO CN(C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000574303003 505742429 /nfs/dbraw/zinc/74/24/29/505742429.db2.gz BYKFMHSRBIFMQZ-FOSCPWQOSA-N 1 1 371.359 3.311 20 5 FGBDMO CCC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000026195119 494809112 /nfs/dbraw/zinc/80/91/12/494809112.db2.gz BTAWYCWDRHGCKP-UHFFFAOYSA-N 1 1 353.422 3.396 20 5 FGBDMO COc1ccc(C[N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000026221456 494811365 /nfs/dbraw/zinc/81/13/65/494811365.db2.gz OMOJYEOXYAQZNX-UHFFFAOYSA-N 1 1 357.410 3.372 20 5 FGBDMO C[N@H+](Cc1cccc(Cl)c1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026712434 494834604 /nfs/dbraw/zinc/83/46/04/494834604.db2.gz IIDSVOGKKNWMCL-INIZCTEOSA-N 1 1 350.802 3.120 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCc2ccsc2C1 ZINC000132470078 494879516 /nfs/dbraw/zinc/87/95/16/494879516.db2.gz WQZWDUCUZGZZEK-UHFFFAOYSA-N 1 1 361.423 3.052 20 5 FGBDMO COc1cc(OC)c(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c(OC)c1 ZINC000093443768 494893214 /nfs/dbraw/zinc/89/32/14/494893214.db2.gz WLULJEAIYPXTME-UHFFFAOYSA-N 1 1 358.394 3.179 20 5 FGBDMO COc1cc(OC)c(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c(OC)c1 ZINC000093443768 494893218 /nfs/dbraw/zinc/89/32/18/494893218.db2.gz WLULJEAIYPXTME-UHFFFAOYSA-N 1 1 358.394 3.179 20 5 FGBDMO COc1ccc(-c2ccc(C[NH2+]Cc3cc(C)nn3C)o2)c([N+](=O)[O-])c1 ZINC000574349677 505752443 /nfs/dbraw/zinc/75/24/43/505752443.db2.gz SWAMPOBZEPSAQC-UHFFFAOYSA-N 1 1 356.382 3.195 20 5 FGBDMO C[C@H]1C[C@@H](N(C)Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000093644070 494906834 /nfs/dbraw/zinc/90/68/34/494906834.db2.gz AIEMDAOJLBYAED-AAEUAGOBSA-N 1 1 356.264 3.272 20 5 FGBDMO C[C@@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000132780285 494923948 /nfs/dbraw/zinc/92/39/48/494923948.db2.gz AOPLFGFTBMVDFA-CVEARBPZSA-N 1 1 374.485 3.389 20 5 FGBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117765158 494953794 /nfs/dbraw/zinc/95/37/94/494953794.db2.gz ILXXQJXNPFMNRI-QWHCGFSZSA-N 1 1 353.850 3.027 20 5 FGBDMO CCc1nn(C)c(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1[N+](=O)[O-] ZINC000094157804 494955753 /nfs/dbraw/zinc/95/57/53/494955753.db2.gz RNDCBIVVAQOLAF-ALOPSCKCSA-N 1 1 369.469 3.498 20 5 FGBDMO CCO[C@@H]1C[C@H]([N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000133123905 494973682 /nfs/dbraw/zinc/97/36/82/494973682.db2.gz GPSUOBKWXVKILN-LSDHHAIUSA-N 1 1 360.414 3.280 20 5 FGBDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000133123905 494973684 /nfs/dbraw/zinc/97/36/84/494973684.db2.gz GPSUOBKWXVKILN-LSDHHAIUSA-N 1 1 360.414 3.280 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCCOc3ccc(F)cc3)C2)nc1 ZINC000118866587 495050081 /nfs/dbraw/zinc/05/00/81/495050081.db2.gz GXKRJNUSFXJEPR-OAHLLOKOSA-N 1 1 360.389 3.084 20 5 FGBDMO O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000101920731 495108294 /nfs/dbraw/zinc/10/82/94/495108294.db2.gz VMIDSOXBMPVCCH-MRXNPFEDSA-N 1 1 358.373 3.130 20 5 FGBDMO O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000101920731 495108295 /nfs/dbraw/zinc/10/82/95/495108295.db2.gz VMIDSOXBMPVCCH-MRXNPFEDSA-N 1 1 358.373 3.130 20 5 FGBDMO C[N@H+]1CCC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccs1 ZINC000130108948 495342909 /nfs/dbraw/zinc/34/29/09/495342909.db2.gz HWWXVSIMPCNHKK-DNVCBOLYSA-N 1 1 373.478 3.398 20 5 FGBDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000114459805 495376886 /nfs/dbraw/zinc/37/68/86/495376886.db2.gz LGHZZTBLFCEMCK-IAGOWNOFSA-N 1 1 359.426 3.418 20 5 FGBDMO CC(C)c1cc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)on1 ZINC000114510548 495387498 /nfs/dbraw/zinc/38/74/98/495387498.db2.gz DHKZOOIDFWMHBY-UHFFFAOYSA-N 1 1 355.398 3.397 20 5 FGBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000120954197 495491640 /nfs/dbraw/zinc/49/16/40/495491640.db2.gz XBZHOYBWXWJXRN-LRDDRELGSA-N 1 1 374.466 3.131 20 5 FGBDMO COc1ccc(NC(=O)CC[N@H+]2CCCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000106888098 495506937 /nfs/dbraw/zinc/50/69/37/495506937.db2.gz BKCZOSNPWFOLJS-UHFFFAOYSA-N 1 1 369.421 3.380 20 5 FGBDMO NC(=O)c1ccc(C[N@H+](Cc2ccc(F)cc2)CC2CC2)c([N+](=O)[O-])c1 ZINC000115561864 495517558 /nfs/dbraw/zinc/51/75/58/495517558.db2.gz RIAOPVMHPMPGDC-UHFFFAOYSA-N 1 1 357.385 3.245 20 5 FGBDMO COc1cccc([C@@H](C)[NH+]2CCN(c3cccc(OC)c3[N+](=O)[O-])CC2)c1 ZINC000185355467 495545902 /nfs/dbraw/zinc/54/59/02/495545902.db2.gz HBPDGLLCGGLXNQ-OAHLLOKOSA-N 1 1 371.437 3.495 20 5 FGBDMO Cc1cc(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)cc([N+](=O)[O-])c1 ZINC000147316269 495574793 /nfs/dbraw/zinc/57/47/93/495574793.db2.gz WSVFIGSVYZQCHW-UHFFFAOYSA-N 1 1 353.422 3.170 20 5 FGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 ZINC000154330120 495583598 /nfs/dbraw/zinc/58/35/98/495583598.db2.gz ZBLUBYDIVCBROS-NSHDSACASA-N 1 1 372.265 3.445 20 5 FGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 ZINC000154330120 495583602 /nfs/dbraw/zinc/58/36/02/495583602.db2.gz ZBLUBYDIVCBROS-NSHDSACASA-N 1 1 372.265 3.445 20 5 FGBDMO C[C@@H](CCNC(=O)COc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000173607094 495610865 /nfs/dbraw/zinc/61/08/65/495610865.db2.gz HHJUDIVDTWNTCL-INIZCTEOSA-N 1 1 371.437 3.000 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000185538994 495614938 /nfs/dbraw/zinc/61/49/38/495614938.db2.gz YIMGAGPRXVXSLU-LSDHHAIUSA-N 1 1 365.449 3.322 20 5 FGBDMO CC[C@H](NCc1ccnc(OCC[NH+](C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000179511632 495622733 /nfs/dbraw/zinc/62/27/33/495622733.db2.gz LFPNBJNGCRBTSU-SFHVURJKSA-N 1 1 358.442 3.171 20 5 FGBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000577793753 505793701 /nfs/dbraw/zinc/79/37/01/505793701.db2.gz WEOYPWRZKRQRAN-OAHLLOKOSA-N 1 1 357.458 3.220 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CN1CCCC1=O)c1ccccc1 ZINC000179547143 495635441 /nfs/dbraw/zinc/63/54/41/495635441.db2.gz ZQYBZRCVGGRUQZ-SFHVURJKSA-N 1 1 369.421 3.057 20 5 FGBDMO CC[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1cnn(C)c1 ZINC000170914583 495650492 /nfs/dbraw/zinc/65/04/92/495650492.db2.gz PUJIRFIDLNULRJ-UHFFFAOYSA-N 1 1 355.398 3.048 20 5 FGBDMO C[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182907201 495752018 /nfs/dbraw/zinc/75/20/18/495752018.db2.gz RRTBECHWAYYEKU-KBPBESRZSA-N 1 1 370.453 3.459 20 5 FGBDMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000159536737 495754689 /nfs/dbraw/zinc/75/46/89/495754689.db2.gz AFAQRPWBAJERNF-GXTWGEPZSA-N 1 1 359.451 3.409 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](Cc1ccco1)Cc1ccccc1 ZINC000159732218 495796323 /nfs/dbraw/zinc/79/63/23/495796323.db2.gz OQXNSDFKGCEZOO-UHFFFAOYSA-N 1 1 353.378 3.052 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](Cc1ccco1)Cc1ccccc1 ZINC000159732218 495796326 /nfs/dbraw/zinc/79/63/26/495796326.db2.gz OQXNSDFKGCEZOO-UHFFFAOYSA-N 1 1 353.378 3.052 20 5 FGBDMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000155021140 495806627 /nfs/dbraw/zinc/80/66/27/495806627.db2.gz PMUNWKFFSUJUNJ-CQSZACIVSA-N 1 1 373.384 3.224 20 5 FGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000155127943 495845952 /nfs/dbraw/zinc/84/59/52/495845952.db2.gz ZAFVRXIXEGPKII-CKEIUWERSA-N 1 1 363.483 3.018 20 5 FGBDMO COc1cccc(F)c1[C@H](C)[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000174222444 495870729 /nfs/dbraw/zinc/87/07/29/495870729.db2.gz XMUOBRVAYCCLCF-BLLLJJGKSA-N 1 1 373.384 3.199 20 5 FGBDMO COc1cccc(F)c1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000174221361 495871072 /nfs/dbraw/zinc/87/10/72/495871072.db2.gz FAUALUJUCLUMNU-RYUDHWBXSA-N 1 1 361.373 3.420 20 5 FGBDMO Cn1cc(Br)cc1C[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000151634399 495901061 /nfs/dbraw/zinc/90/10/61/495901061.db2.gz LFIDHISGOLJGSG-UHFFFAOYSA-N 1 1 352.232 3.370 20 5 FGBDMO O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000174326604 495911799 /nfs/dbraw/zinc/91/17/99/495911799.db2.gz IRTJTBFOALZQSJ-IBGZPJMESA-N 1 1 353.422 3.266 20 5 FGBDMO COc1ccc([C@H]2CC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000155334893 495924196 /nfs/dbraw/zinc/92/41/96/495924196.db2.gz ILMTYCDNMAQUAH-INIZCTEOSA-N 1 1 369.421 3.422 20 5 FGBDMO C[C@H]1C[C@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C[N@H+]1C1CC1 ZINC000177144665 495947338 /nfs/dbraw/zinc/94/73/38/495947338.db2.gz ANDMWCBKLMTJOT-AAEUAGOBSA-N 1 1 372.450 3.073 20 5 FGBDMO Cc1[nH+]ccn1CCCCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000174464438 495971322 /nfs/dbraw/zinc/97/13/22/495971322.db2.gz GTYAGEZFZUMTRT-UHFFFAOYSA-N 1 1 351.794 3.355 20 5 FGBDMO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000186381071 495975041 /nfs/dbraw/zinc/97/50/41/495975041.db2.gz APJZLKVXYJKPJY-JKSUJKDBSA-N 1 1 360.414 3.328 20 5 FGBDMO COc1cc(C[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)ccc1O ZINC000174538159 495999795 /nfs/dbraw/zinc/99/97/95/495999795.db2.gz PEGSGODURKGTTK-UHFFFAOYSA-N 1 1 373.409 3.078 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c([N+](=O)[O-])cc1OC ZINC000186449140 496001780 /nfs/dbraw/zinc/00/17/80/496001780.db2.gz GRWROQXMMZNFFV-FQEVSTJZSA-N 1 1 370.405 3.243 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c([N+](=O)[O-])cc1OC ZINC000186449140 496001783 /nfs/dbraw/zinc/00/17/83/496001783.db2.gz GRWROQXMMZNFFV-FQEVSTJZSA-N 1 1 370.405 3.243 20 5 FGBDMO CC[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1c(C)noc1C ZINC000155881456 496096272 /nfs/dbraw/zinc/09/62/72/496096272.db2.gz ZLLAJEBXCSQCQD-HOTGVXAUSA-N 1 1 358.398 3.046 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCO[C@]4(CCCOC4)C3)o2)c1 ZINC000568989655 505824912 /nfs/dbraw/zinc/82/49/12/505824912.db2.gz XHCNTDIMVLFTOR-LJQANCHMSA-N 1 1 358.394 3.236 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCO[C@]4(CCCOC4)C3)o2)c1 ZINC000568989655 505824914 /nfs/dbraw/zinc/82/49/14/505824914.db2.gz XHCNTDIMVLFTOR-LJQANCHMSA-N 1 1 358.394 3.236 20 5 FGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000174864001 496138879 /nfs/dbraw/zinc/13/88/79/496138879.db2.gz BUVIAXINXAVYNL-GFCCVEGCSA-N 1 1 361.833 3.166 20 5 FGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000174864001 496138883 /nfs/dbraw/zinc/13/88/83/496138883.db2.gz BUVIAXINXAVYNL-GFCCVEGCSA-N 1 1 361.833 3.166 20 5 FGBDMO CCc1cnc(C[N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)s1 ZINC000177773582 496189733 /nfs/dbraw/zinc/18/97/33/496189733.db2.gz YKBCNTHMURDYNW-UHFFFAOYSA-N 1 1 362.455 3.383 20 5 FGBDMO CCc1cnc(C[N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)s1 ZINC000177773582 496189738 /nfs/dbraw/zinc/18/97/38/496189738.db2.gz YKBCNTHMURDYNW-UHFFFAOYSA-N 1 1 362.455 3.383 20 5 FGBDMO C[N@@H+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H](c2ccccc2)C1 ZINC000161616540 496208572 /nfs/dbraw/zinc/20/85/72/496208572.db2.gz ULGZSMKHQKBBNZ-LJQANCHMSA-N 1 1 364.405 3.205 20 5 FGBDMO C[N@H+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H](c2ccccc2)C1 ZINC000161616540 496208577 /nfs/dbraw/zinc/20/85/77/496208577.db2.gz ULGZSMKHQKBBNZ-LJQANCHMSA-N 1 1 364.405 3.205 20 5 FGBDMO Cc1csc(C2([NH2+]CC(=O)Nc3ccccc3[N+](=O)[O-])CCCC2)n1 ZINC000175021385 496211675 /nfs/dbraw/zinc/21/16/75/496211675.db2.gz ZHLBEGYINGIWJI-UHFFFAOYSA-N 1 1 360.439 3.357 20 5 FGBDMO Cc1c(NC(=O)NCC[N@H+](C)Cc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000175088231 496242802 /nfs/dbraw/zinc/24/28/02/496242802.db2.gz YPMJQEQLCJKKBV-UHFFFAOYSA-N 1 1 360.389 3.296 20 5 FGBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000172483456 496313388 /nfs/dbraw/zinc/31/33/88/496313388.db2.gz UGJNWRCDAKFAIQ-HNNXBMFYSA-N 1 1 373.457 3.058 20 5 FGBDMO C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162536578 496369087 /nfs/dbraw/zinc/36/90/87/496369087.db2.gz OTJSSLGYHJRLEW-SMDDNHRTSA-N 1 1 357.248 3.483 20 5 FGBDMO C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162536578 496369091 /nfs/dbraw/zinc/36/90/91/496369091.db2.gz OTJSSLGYHJRLEW-SMDDNHRTSA-N 1 1 357.248 3.483 20 5 FGBDMO CC(C)OC(=O)C[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000184451232 496389281 /nfs/dbraw/zinc/38/92/81/496389281.db2.gz UPDYPNLTXDQIMM-OAHLLOKOSA-N 1 1 350.415 3.027 20 5 FGBDMO Cc1cccc(C)c1OC[C@@H](O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153241890 496394105 /nfs/dbraw/zinc/39/41/05/496394105.db2.gz SFQOBWLOCVTFLF-KRWDZBQOSA-N 1 1 356.422 3.010 20 5 FGBDMO Cc1cccc(C)c1OC[C@@H](O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153241890 496394109 /nfs/dbraw/zinc/39/41/09/496394109.db2.gz SFQOBWLOCVTFLF-KRWDZBQOSA-N 1 1 356.422 3.010 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157344817 496459055 /nfs/dbraw/zinc/45/90/55/496459055.db2.gz FDXFZKUVIPHENR-KRWDZBQOSA-N 1 1 374.485 3.182 20 5 FGBDMO CN(CC[N@@H+](C)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000184621899 496468135 /nfs/dbraw/zinc/46/81/35/496468135.db2.gz FDJVABQPPKARFT-UHFFFAOYSA-N 1 1 360.336 3.172 20 5 FGBDMO O=[N+]([O-])c1ccc(CNC2CC[NH+](Cc3cccnc3)CC2)c(Cl)c1 ZINC000184665625 496485770 /nfs/dbraw/zinc/48/57/70/496485770.db2.gz CQQPVWOWNRCFFQ-UHFFFAOYSA-N 1 1 360.845 3.397 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)cnc1NCc1ccccc1C[NH+]1CCOCC1 ZINC000153529748 496486195 /nfs/dbraw/zinc/48/61/95/496486195.db2.gz SOQGOVYWONUXPN-UHFFFAOYSA-N 1 1 362.817 3.088 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000184713852 496504489 /nfs/dbraw/zinc/50/44/89/496504489.db2.gz MCPJERSQFQLWAF-QZTJIDSGSA-N 1 1 361.486 3.400 20 5 FGBDMO COC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000181695612 496506351 /nfs/dbraw/zinc/50/63/51/496506351.db2.gz ZLCPQMCECUUTAH-OAHLLOKOSA-N 1 1 363.801 3.164 20 5 FGBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000163509334 496525378 /nfs/dbraw/zinc/52/53/78/496525378.db2.gz UTRPBBMLAMCVHG-OAHLLOKOSA-N 1 1 360.458 3.001 20 5 FGBDMO Cc1cc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000153667268 496537974 /nfs/dbraw/zinc/53/79/74/496537974.db2.gz RWOLERZCECRBQO-KBXCAEBGSA-N 1 1 358.442 3.384 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000184838741 496551349 /nfs/dbraw/zinc/55/13/49/496551349.db2.gz HGHREKGBIQAESD-QGZVFWFLSA-N 1 1 370.453 3.485 20 5 FGBDMO Cc1ccc(NCCCNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)[nH+]c1 ZINC000175823345 496560684 /nfs/dbraw/zinc/56/06/84/496560684.db2.gz WBDZMJVEXHNYSO-OAHLLOKOSA-N 1 1 371.441 3.469 20 5 FGBDMO CC[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](C)Cc1ccsc1 ZINC000187783705 496570435 /nfs/dbraw/zinc/57/04/35/496570435.db2.gz UWQSLKOZUNGAEB-WMLDXEAASA-N 1 1 364.467 3.349 20 5 FGBDMO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H]1CCCN1c1cccnn1 ZINC000153795106 496581823 /nfs/dbraw/zinc/58/18/23/496581823.db2.gz SWKZYRHDNSSXGZ-AWEZNQCLSA-N 1 1 361.833 3.139 20 5 FGBDMO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181887748 496587218 /nfs/dbraw/zinc/58/72/18/496587218.db2.gz NDOGPKAEDUGMFM-RDJZCZTQSA-N 1 1 374.462 3.247 20 5 FGBDMO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181887748 496587221 /nfs/dbraw/zinc/58/72/21/496587221.db2.gz NDOGPKAEDUGMFM-RDJZCZTQSA-N 1 1 374.462 3.247 20 5 FGBDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181887500 496587391 /nfs/dbraw/zinc/58/73/91/496587391.db2.gz UEEXGPLUDQRXGU-NJAFHUGGSA-N 1 1 356.422 3.213 20 5 FGBDMO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000153818707 496590053 /nfs/dbraw/zinc/59/00/53/496590053.db2.gz PWERRWAULAOPKI-MRXNPFEDSA-N 1 1 374.466 3.131 20 5 FGBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000153818707 496590058 /nfs/dbraw/zinc/59/00/58/496590058.db2.gz PWERRWAULAOPKI-MRXNPFEDSA-N 1 1 374.466 3.131 20 5 FGBDMO CCOc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000153822594 496592576 /nfs/dbraw/zinc/59/25/76/496592576.db2.gz JFAPXUAZGCJHLH-NVXWUHKLSA-N 1 1 373.453 3.082 20 5 FGBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000173255763 496614337 /nfs/dbraw/zinc/61/43/37/496614337.db2.gz BELRLFFUDYLXIX-OAHLLOKOSA-N 1 1 363.483 3.068 20 5 FGBDMO O=[N+]([O-])c1cccc(Cl)c1OC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000153930414 496627460 /nfs/dbraw/zinc/62/74/60/496627460.db2.gz RJQMBQAJQDWJPK-OAHLLOKOSA-N 1 1 362.813 3.046 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000153958083 496636465 /nfs/dbraw/zinc/63/64/65/496636465.db2.gz WVKMEQLPCAEDIY-CQSZACIVSA-N 1 1 365.499 3.415 20 5 FGBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000153982338 496643244 /nfs/dbraw/zinc/64/32/44/496643244.db2.gz JLJHJAVVKMCBHF-CQSZACIVSA-N 1 1 365.449 3.293 20 5 FGBDMO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173358018 496658625 /nfs/dbraw/zinc/65/86/25/496658625.db2.gz PIIPXIROESFXQC-GFCCVEGCSA-N 1 1 368.842 3.373 20 5 FGBDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000188111492 496687655 /nfs/dbraw/zinc/68/76/55/496687655.db2.gz QTNGMRMPZSASMV-DYVFJYSZSA-N 1 1 358.394 3.486 20 5 FGBDMO C[C@@H](C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000182353899 496731247 /nfs/dbraw/zinc/73/12/47/496731247.db2.gz MYBJBUUVMKCPPS-AUUYWEPGSA-N 1 1 371.412 3.353 20 5 FGBDMO C[C@@H](C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000182353899 496731248 /nfs/dbraw/zinc/73/12/48/496731248.db2.gz MYBJBUUVMKCPPS-AUUYWEPGSA-N 1 1 371.412 3.353 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(SC)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000247445204 496859823 /nfs/dbraw/zinc/85/98/23/496859823.db2.gz PTNJOOCOKFEZBH-SWLSCSKDSA-N 1 1 351.472 3.119 20 5 FGBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000247529180 496880688 /nfs/dbraw/zinc/88/06/88/496880688.db2.gz XBZHOYBWXWJXRN-MLGOLLRUSA-N 1 1 374.466 3.131 20 5 FGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(OC2CCCC2)CC1 ZINC000195316755 496887327 /nfs/dbraw/zinc/88/73/27/496887327.db2.gz IQQGSTPJYAYDQN-CQSZACIVSA-N 1 1 361.442 3.345 20 5 FGBDMO COc1cc(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000188754091 496897946 /nfs/dbraw/zinc/89/79/46/496897946.db2.gz MQLQTQYXKXXZKX-CQSZACIVSA-N 1 1 363.458 3.154 20 5 FGBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000195625172 496956197 /nfs/dbraw/zinc/95/61/97/496956197.db2.gz UONNIHBFQXIERW-ZNMIVQPWSA-N 1 1 365.499 3.170 20 5 FGBDMO C[N@@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000273997788 496986412 /nfs/dbraw/zinc/98/64/12/496986412.db2.gz SLVOSQBLHBWGKY-IAQYHMDHSA-N 1 1 365.796 3.282 20 5 FGBDMO C[N@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000273997788 496986413 /nfs/dbraw/zinc/98/64/13/496986413.db2.gz SLVOSQBLHBWGKY-IAQYHMDHSA-N 1 1 365.796 3.282 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000248453761 497017060 /nfs/dbraw/zinc/01/70/60/497017060.db2.gz KBMGTXYLVKIGHP-FUHWJXTLSA-N 1 1 374.412 3.038 20 5 FGBDMO COc1cc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c([N+](=O)[O-])cc1F ZINC000248601861 497052773 /nfs/dbraw/zinc/05/27/73/497052773.db2.gz AOMIQOFJPMDTOC-CZUORRHYSA-N 1 1 364.373 3.424 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c([N+](=O)[O-])cc1F ZINC000248601861 497052779 /nfs/dbraw/zinc/05/27/79/497052779.db2.gz AOMIQOFJPMDTOC-CZUORRHYSA-N 1 1 364.373 3.424 20 5 FGBDMO C[C@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)[N@H+]1CCC[C@@H](C)C1 ZINC000248617023 497059242 /nfs/dbraw/zinc/05/92/42/497059242.db2.gz ZFKDMKGALWVMJL-MGPQQGTHSA-N 1 1 351.422 3.074 20 5 FGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1N(C)C ZINC000572075229 505882498 /nfs/dbraw/zinc/88/24/98/505882498.db2.gz LIUXXCNFYFUZNO-CQSZACIVSA-N 1 1 356.426 3.120 20 5 FGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1N(C)C ZINC000572075229 505882500 /nfs/dbraw/zinc/88/25/00/505882500.db2.gz LIUXXCNFYFUZNO-CQSZACIVSA-N 1 1 356.426 3.120 20 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C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC2(C1)CCOCC2 ZINC000266610021 497381161 /nfs/dbraw/zinc/38/11/61/497381161.db2.gz HPVDXVGVYSVRLQ-CYBMUJFWSA-N 1 1 358.398 3.208 20 5 FGBDMO C[N@H+]1CC[C@@H](CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000275755591 497423470 /nfs/dbraw/zinc/42/34/70/497423470.db2.gz YVFDXKOUCYOZPQ-NSHDSACASA-N 1 1 371.387 3.053 20 5 FGBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000245531577 497442222 /nfs/dbraw/zinc/44/22/22/497442222.db2.gz TXQIZGBLHIKDMT-RYUDHWBXSA-N 1 1 371.384 3.046 20 5 FGBDMO COc1cccc2c1CC[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)CC2 ZINC000193707099 497453286 /nfs/dbraw/zinc/45/32/86/497453286.db2.gz RQAYXGCEGDHPKW-UHFFFAOYSA-N 1 1 353.378 3.345 20 5 FGBDMO Cc1cc(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000193772827 497476669 /nfs/dbraw/zinc/47/66/69/497476669.db2.gz QJSZUPYGRMGLCK-QGZVFWFLSA-N 1 1 353.422 3.155 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193793092 497484514 /nfs/dbraw/zinc/48/45/14/497484514.db2.gz SOVWQZBEMUEWRY-KRWDZBQOSA-N 1 1 353.422 3.155 20 5 FGBDMO COc1cc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc([N+](=O)[O-])c1C ZINC000190601212 497541063 /nfs/dbraw/zinc/54/10/63/497541063.db2.gz RQWWLUWOOSSRIM-MRXNPFEDSA-N 1 1 373.409 3.072 20 5 FGBDMO C[N@@H+]1CC[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)cc1 ZINC000245931136 497576226 /nfs/dbraw/zinc/57/62/26/497576226.db2.gz UVFKIJQXVUFCOT-UKRRQHHQSA-N 1 1 365.842 3.485 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)cc1 ZINC000245931136 497576229 /nfs/dbraw/zinc/57/62/29/497576229.db2.gz UVFKIJQXVUFCOT-UKRRQHHQSA-N 1 1 365.842 3.485 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c(C(F)(F)F)c1 ZINC000245955592 497583580 /nfs/dbraw/zinc/58/35/80/497583580.db2.gz QKLJAQSNSZULBV-KGLIPLIRSA-N 1 1 362.373 3.320 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCS[C@H]3COCC[C@H]32)c(C(F)(F)F)c1 ZINC000245955592 497583583 /nfs/dbraw/zinc/58/35/83/497583583.db2.gz QKLJAQSNSZULBV-KGLIPLIRSA-N 1 1 362.373 3.320 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000276670562 497624854 /nfs/dbraw/zinc/62/48/54/497624854.db2.gz ZHOZCQJLLAVPQK-CYBMUJFWSA-N 1 1 353.850 3.407 20 5 FGBDMO CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000578346759 505919706 /nfs/dbraw/zinc/91/97/06/505919706.db2.gz SSADMPVBBPFJMI-HNNXBMFYSA-N 1 1 356.426 3.275 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cnc(-c4ccco4)s3)C2)nc1 ZINC000194406954 497656326 /nfs/dbraw/zinc/65/63/26/497656326.db2.gz HYIHDCFWVIZQQQ-LBPRGKRZSA-N 1 1 371.422 3.393 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cnc(-c4ccco4)s3)C2)nc1 ZINC000194406954 497656329 /nfs/dbraw/zinc/65/63/29/497656329.db2.gz HYIHDCFWVIZQQQ-LBPRGKRZSA-N 1 1 371.422 3.393 20 5 FGBDMO Cc1noc(C)c1[C@@H](C)C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272585568 497670737 /nfs/dbraw/zinc/67/07/37/497670737.db2.gz 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CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000364212618 497842970 /nfs/dbraw/zinc/84/29/70/497842970.db2.gz IFJUMNVZCKYJTL-OAHLLOKOSA-N 1 1 357.414 3.359 20 5 FGBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000292114356 497883306 /nfs/dbraw/zinc/88/33/06/497883306.db2.gz QRIPADYNEQYUIE-CQSZACIVSA-N 1 1 356.426 3.115 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@@H]3[C@H]3CCCO3)o2)c1 ZINC000284753880 497888927 /nfs/dbraw/zinc/88/89/27/497888927.db2.gz LOWRZSUGBBVLKH-IAGOWNOFSA-N 1 1 357.410 3.436 20 5 FGBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000280763114 497889451 /nfs/dbraw/zinc/88/94/51/497889451.db2.gz BEJOWVXWWZPMES-IAGOWNOFSA-N 1 1 366.421 3.013 20 5 FGBDMO Cn1cc(C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c(-c2ccccc2)n1 ZINC000364341172 497907660 /nfs/dbraw/zinc/90/76/60/497907660.db2.gz TVPATPKDVBDSIY-KRWDZBQOSA-N 1 1 366.425 3.029 20 5 FGBDMO C[C@H]1CCC[N@@H+](CCCCNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000301085585 497944663 /nfs/dbraw/zinc/94/46/63/497944663.db2.gz JAYZKBSJDWRQPO-ZDUSSCGKSA-N 1 1 359.430 3.168 20 5 FGBDMO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@H](C)c3ccc(N)c([N+](=O)[O-])c3)n2)c1 ZINC000285076164 497987701 /nfs/dbraw/zinc/98/77/01/497987701.db2.gz JKIXYYITYYEJKT-NEPJUHHUSA-N 1 1 367.413 3.077 20 5 FGBDMO O=[N+]([O-])c1c(NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)nc2sccn21 ZINC000301217189 498005221 /nfs/dbraw/zinc/00/52/21/498005221.db2.gz ZRPABQAASLPKAH-OAHLLOKOSA-N 1 1 371.466 3.281 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000301329074 498058474 /nfs/dbraw/zinc/05/84/74/498058474.db2.gz CTZZFJCEWYZZCA-AWEZNQCLSA-N 1 1 371.466 3.405 20 5 FGBDMO Cc1sc(C(=O)N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000364656619 498072268 /nfs/dbraw/zinc/07/22/68/498072268.db2.gz AVVPPTFKKLMCKQ-YOEHRIQHSA-N 1 1 374.466 3.125 20 5 FGBDMO COCc1cc([N+](=O)[O-])ccc1NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000301448643 498114563 /nfs/dbraw/zinc/11/45/63/498114563.db2.gz RLZNZHCMJQJDIY-UHFFFAOYSA-N 1 1 353.382 3.242 20 5 FGBDMO CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285560851 498129278 /nfs/dbraw/zinc/12/92/78/498129278.db2.gz RPEIBSLOWHSOSE-JWTNVVGKSA-N 1 1 356.426 3.307 20 5 FGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000289468136 498158428 /nfs/dbraw/zinc/15/84/28/498158428.db2.gz MSTDSULSCLXZMW-VXGBXAGGSA-N 1 1 359.348 3.046 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000330695775 498175543 /nfs/dbraw/zinc/17/55/43/498175543.db2.gz DBKNYIGPWPRJAB-CHWSQXEVSA-N 1 1 351.472 3.260 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000330695775 498175547 /nfs/dbraw/zinc/17/55/47/498175547.db2.gz DBKNYIGPWPRJAB-CHWSQXEVSA-N 1 1 351.472 3.260 20 5 FGBDMO C[N@H+]1CCC[C@@]2(CCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)C1 ZINC000293089649 498263107 /nfs/dbraw/zinc/26/31/07/498263107.db2.gz WXGAOIJVIBOXHN-LJQANCHMSA-N 1 1 356.426 3.168 20 5 FGBDMO Cc1cc(C[NH+]2CCC(N(C)c3c(F)cc([N+](=O)[O-])cc3F)CC2)on1 ZINC000360465356 498277488 /nfs/dbraw/zinc/27/74/88/498277488.db2.gz FNURPAYUGDQLKU-UHFFFAOYSA-N 1 1 366.368 3.270 20 5 FGBDMO Cc1cc(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301835548 498286201 /nfs/dbraw/zinc/28/62/01/498286201.db2.gz ULBFCYQPSKETHD-DZGCQCFKSA-N 1 1 353.426 3.397 20 5 FGBDMO C[C@@H](CNc1c(Br)cncc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000301902181 498320362 /nfs/dbraw/zinc/32/03/62/498320362.db2.gz WDLQLAMYDRPGRS-MNOVXSKESA-N 1 1 357.252 3.285 20 5 FGBDMO C[C@@H](CNc1c(Br)cncc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000301902181 498320365 /nfs/dbraw/zinc/32/03/65/498320365.db2.gz WDLQLAMYDRPGRS-MNOVXSKESA-N 1 1 357.252 3.285 20 5 FGBDMO C[C@@H](CNc1c(Br)cncc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000301902182 498320555 /nfs/dbraw/zinc/32/05/55/498320555.db2.gz WDLQLAMYDRPGRS-QWRGUYRKSA-N 1 1 357.252 3.285 20 5 FGBDMO C[C@@H](CNc1c(Br)cncc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000301902182 498320562 /nfs/dbraw/zinc/32/05/62/498320562.db2.gz WDLQLAMYDRPGRS-QWRGUYRKSA-N 1 1 357.252 3.285 20 5 FGBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000289875029 498332176 /nfs/dbraw/zinc/33/21/76/498332176.db2.gz ZHPJEEVIAPMVCM-GFCCVEGCSA-N 1 1 354.838 3.444 20 5 FGBDMO Cc1cc[nH+]c(N2CCN(c3cc(C)nc4c3cccc4[N+](=O)[O-])CC2)c1 ZINC000302018937 498370570 /nfs/dbraw/zinc/37/05/70/498370570.db2.gz MUYAGUHCDGQMLI-UHFFFAOYSA-N 1 1 363.421 3.481 20 5 FGBDMO C[C@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@H+](C2CCC2)C1 ZINC000293628588 498433403 /nfs/dbraw/zinc/43/34/03/498433403.db2.gz GHEDSCQBWGEEDG-CYBMUJFWSA-N 1 1 356.426 3.023 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@@H](C)C1 ZINC000297689842 498536521 /nfs/dbraw/zinc/53/65/21/498536521.db2.gz MBXYPUQUROIWHZ-NHYWBVRUSA-N 1 1 373.375 3.416 20 5 FGBDMO COCC(C)(C)CCC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000287025216 498597043 /nfs/dbraw/zinc/59/70/43/498597043.db2.gz LKCUCFWXIVHXBS-QGZVFWFLSA-N 1 1 360.458 3.460 20 5 FGBDMO CC(C)[N@H+]1CCCN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000294527647 498719287 /nfs/dbraw/zinc/71/92/87/498719287.db2.gz IPRCRWOKGTZAJT-UHFFFAOYSA-N 1 1 359.348 3.170 20 5 FGBDMO Cc1ccnc(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000312041896 498756810 /nfs/dbraw/zinc/75/68/10/498756810.db2.gz WRSUYWDPMSJULH-ZWKOTPCHSA-N 1 1 352.438 3.257 20 5 FGBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C1 ZINC000294784657 498804451 /nfs/dbraw/zinc/80/44/51/498804451.db2.gz BBWXCDMGVQMSOB-CYBMUJFWSA-N 1 1 353.850 3.361 20 5 FGBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000294836442 498821156 /nfs/dbraw/zinc/82/11/56/498821156.db2.gz DPWJLAATORLJSQ-SFHVURJKSA-N 1 1 361.486 3.193 20 5 FGBDMO Cc1ncsc1CC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000294985202 498870961 /nfs/dbraw/zinc/87/09/61/498870961.db2.gz KEGIQJUIKHIVHX-MRXNPFEDSA-N 1 1 357.439 3.015 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@@H]([C@H]4CCOC4)C3)o2)c1 ZINC000366650888 499018267 /nfs/dbraw/zinc/01/82/67/499018267.db2.gz GUMIUIVHGKADOP-CVEARBPZSA-N 1 1 357.410 3.151 20 5 FGBDMO C[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(F)cc1 ZINC000366795904 499076479 /nfs/dbraw/zinc/07/64/79/499076479.db2.gz PHNPQUZACMZNFR-SJORKVTESA-N 1 1 361.348 3.048 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(F)cc1 ZINC000366795904 499076483 /nfs/dbraw/zinc/07/64/83/499076483.db2.gz PHNPQUZACMZNFR-SJORKVTESA-N 1 1 361.348 3.048 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H](Cc2nnc3ccccn32)C1 ZINC000369945754 499155327 /nfs/dbraw/zinc/15/53/27/499155327.db2.gz MHYFDXUIKMNLSG-HNNXBMFYSA-N 1 1 351.410 3.092 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H](Cc2nnc3ccccn32)C1 ZINC000369945755 499155538 /nfs/dbraw/zinc/15/55/38/499155538.db2.gz MHYFDXUIKMNLSG-OAHLLOKOSA-N 1 1 351.410 3.092 20 5 FGBDMO O=C(NC[C@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1)c1ccco1 ZINC000367348301 499186177 /nfs/dbraw/zinc/18/61/77/499186177.db2.gz HHCHXJJKJQRWDM-KZJSRBBCSA-N 1 1 369.421 3.343 20 5 FGBDMO Cc1ccc(C[N@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000370403166 499217320 /nfs/dbraw/zinc/21/73/20/499217320.db2.gz DGTVZLWKGGDNPE-ICSRJNTNSA-N 1 1 354.454 3.423 20 5 FGBDMO Cc1ccc(CN(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000370403166 499217321 /nfs/dbraw/zinc/21/73/21/499217321.db2.gz DGTVZLWKGGDNPE-ICSRJNTNSA-N 1 1 354.454 3.423 20 5 FGBDMO Cc1ccc(CN(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000370403166 499217322 /nfs/dbraw/zinc/21/73/22/499217322.db2.gz DGTVZLWKGGDNPE-ICSRJNTNSA-N 1 1 354.454 3.423 20 5 FGBDMO CC(C)c1[nH+]ccn1C[C@H]1CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000371020689 499281021 /nfs/dbraw/zinc/28/10/21/499281021.db2.gz BNCPACJVYGAMSY-QGZVFWFLSA-N 1 1 356.426 3.148 20 5 FGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000371066484 499285356 /nfs/dbraw/zinc/28/53/56/499285356.db2.gz SCSCJCMDBVUXES-BBRMVZONSA-N 1 1 372.425 3.454 20 5 FGBDMO COc1cc2c(cc1OC)[C@H](C)[N@H+](Cc1c([N+](=O)[O-])ncn1C)C[C@@H](C)C2 ZINC000371359845 499314805 /nfs/dbraw/zinc/31/48/05/499314805.db2.gz MFRQECUWCHLGCX-STQMWFEESA-N 1 1 374.441 3.101 20 5 FGBDMO COc1cc2c(cc1OC)[C@H](C)[N@@H+](Cc1c([N+](=O)[O-])ncn1C)C[C@@H](C)C2 ZINC000371359845 499314806 /nfs/dbraw/zinc/31/48/06/499314806.db2.gz MFRQECUWCHLGCX-STQMWFEESA-N 1 1 374.441 3.101 20 5 FGBDMO COCCn1ncc2c1[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)CCC2 ZINC000368843267 499338730 /nfs/dbraw/zinc/33/87/30/499338730.db2.gz PDJGALSEZQSFPH-MRXNPFEDSA-N 1 1 364.833 3.258 20 5 FGBDMO Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2Cc2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000369282742 499387561 /nfs/dbraw/zinc/38/75/61/499387561.db2.gz IXJXGYHKVHRANG-RHSMWYFYSA-N 1 1 364.833 3.070 20 5 FGBDMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])s2)[C@H]1c1cccs1 ZINC000369569386 499419726 /nfs/dbraw/zinc/41/97/26/499419726.db2.gz NRXGVFLFUSPCGX-HZMBPMFUSA-N 1 1 351.453 3.141 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCC[C@H](c3ccncn3)C2)c1 ZINC000372436973 499434697 /nfs/dbraw/zinc/43/46/97/499434697.db2.gz XQGGDZXPQKKHIZ-LBPRGKRZSA-N 1 1 364.352 3.366 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@H](c3ccncn3)C2)c1 ZINC000372436973 499434699 /nfs/dbraw/zinc/43/46/99/499434699.db2.gz XQGGDZXPQKKHIZ-LBPRGKRZSA-N 1 1 364.352 3.366 20 5 FGBDMO CSc1cccc(C(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)c1[N+](=O)[O-] ZINC000373609800 499479832 /nfs/dbraw/zinc/47/98/32/499479832.db2.gz PKWWUHTXQNVEDX-UHFFFAOYSA-N 1 1 369.406 3.458 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2noc(C3CC3)n2)CC1 ZINC000375155633 499490100 /nfs/dbraw/zinc/49/01/00/499490100.db2.gz ZNFWVCLNOGJFJO-UHFFFAOYSA-N 1 1 358.398 3.243 20 5 FGBDMO C[C@@H]1C[C@@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000379678047 499542504 /nfs/dbraw/zinc/54/25/04/499542504.db2.gz DYDWPIBCDNHOJM-ZBFHGGJFSA-N 1 1 365.437 3.358 20 5 FGBDMO O=[N+]([O-])c1cc(Br)cnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000408309171 499583842 /nfs/dbraw/zinc/58/38/42/499583842.db2.gz XIGJWFFODHWYMU-UHFFFAOYSA-N 1 1 369.263 3.207 20 5 FGBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000376394649 499605485 /nfs/dbraw/zinc/60/54/85/499605485.db2.gz HLPIZWYTJJNIEZ-UBLGTCEWSA-N 1 1 359.470 3.247 20 5 FGBDMO O=C([C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1)N1CCCC1 ZINC000376506581 499613622 /nfs/dbraw/zinc/61/36/22/499613622.db2.gz LWDRBNWNJBJGIX-ZDUSSCGKSA-N 1 1 371.359 3.058 20 5 FGBDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000411060911 499694143 /nfs/dbraw/zinc/69/41/43/499694143.db2.gz OWNLPUMNFRYBKS-LBPRGKRZSA-N 1 1 359.348 3.170 20 5 FGBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000411060911 499694144 /nfs/dbraw/zinc/69/41/44/499694144.db2.gz OWNLPUMNFRYBKS-LBPRGKRZSA-N 1 1 359.348 3.170 20 5 FGBDMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000411060910 499694285 /nfs/dbraw/zinc/69/42/85/499694285.db2.gz OWNLPUMNFRYBKS-GFCCVEGCSA-N 1 1 359.348 3.170 20 5 FGBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000411060910 499694286 /nfs/dbraw/zinc/69/42/86/499694286.db2.gz OWNLPUMNFRYBKS-GFCCVEGCSA-N 1 1 359.348 3.170 20 5 FGBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCN(c2ccccc2)CC1 ZINC000377522420 499700061 /nfs/dbraw/zinc/70/00/61/499700061.db2.gz DZFXCAULICTOCP-HXUWFJFHSA-N 1 1 355.438 3.229 20 5 FGBDMO C[C@H](O)c1ncc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000377616983 499710893 /nfs/dbraw/zinc/71/08/93/499710893.db2.gz QZVHPUSZQVBEKY-LBPRGKRZSA-N 1 1 363.439 3.148 20 5 FGBDMO Cc1cnn([C@H]2CC[N@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)c1 ZINC000377759679 499729711 /nfs/dbraw/zinc/72/97/11/499729711.db2.gz IBAUEGDKPDWRNR-KRWDZBQOSA-N 1 1 353.382 3.202 20 5 FGBDMO Cc1cnn([C@H]2CC[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)c1 ZINC000377759679 499729713 /nfs/dbraw/zinc/72/97/13/499729713.db2.gz IBAUEGDKPDWRNR-KRWDZBQOSA-N 1 1 353.382 3.202 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CCC(c3ccncn3)CC2)c1 ZINC000414466395 499795872 /nfs/dbraw/zinc/79/58/72/499795872.db2.gz BMTHNRORNKVUKM-UHFFFAOYSA-N 1 1 364.352 3.366 20 5 FGBDMO CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000411897562 499802237 /nfs/dbraw/zinc/80/22/37/499802237.db2.gz VSJIYVNGEOPNJI-AEFFLSMTSA-N 1 1 366.377 3.047 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000411952237 499805991 /nfs/dbraw/zinc/80/59/91/499805991.db2.gz SIKVOAPRUIZZAY-VQIMIIECSA-N 1 1 369.421 3.040 20 5 FGBDMO O=C1C[C@]2(CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)Oc2ccccc21 ZINC000411976926 499808545 /nfs/dbraw/zinc/80/85/45/499808545.db2.gz FJHIZEMFZBWXLB-FQEVSTJZSA-N 1 1 352.390 3.247 20 5 FGBDMO CN(C(=O)C[N@@H+]1CCC[C@H](Oc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000411985097 499809324 /nfs/dbraw/zinc/80/93/24/499809324.db2.gz NVLNYEWVYGVYKP-IBGZPJMESA-N 1 1 369.421 3.101 20 5 FGBDMO CN(C(=O)C[N@H+]1CCC[C@H](Oc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000411985097 499809326 /nfs/dbraw/zinc/80/93/26/499809326.db2.gz NVLNYEWVYGVYKP-IBGZPJMESA-N 1 1 369.421 3.101 20 5 FGBDMO CC(C)[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@@H]1CCC(=O)N1 ZINC000414591114 499812368 /nfs/dbraw/zinc/81/23/68/499812368.db2.gz YFAWHTLZPMPZQP-AWEZNQCLSA-N 1 1 374.466 3.207 20 5 FGBDMO CC(C)[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@@H]1CCC(=O)N1 ZINC000414591114 499812369 /nfs/dbraw/zinc/81/23/69/499812369.db2.gz YFAWHTLZPMPZQP-AWEZNQCLSA-N 1 1 374.466 3.207 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000412199536 499833013 /nfs/dbraw/zinc/83/30/13/499833013.db2.gz HDVBERUIDUIWBM-ZYSHUDEJSA-N 1 1 359.470 3.183 20 5 FGBDMO Cn1cc[nH+]c1C[C@@H]1CCCN(c2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000413195617 499925481 /nfs/dbraw/zinc/92/54/81/499925481.db2.gz JKOODEUDWXOPHJ-AWEZNQCLSA-N 1 1 351.410 3.336 20 5 FGBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000421098342 499953077 /nfs/dbraw/zinc/95/30/77/499953077.db2.gz XQEVUGIYJAXBNZ-NSHDSACASA-N 1 1 360.336 3.172 20 5 FGBDMO CC[C@@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000429206758 500023463 /nfs/dbraw/zinc/02/34/63/500023463.db2.gz GWWNKIUHXCGAGI-ZYHUDNBSSA-N 1 1 362.257 3.183 20 5 FGBDMO CC[C@@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000429206758 500023469 /nfs/dbraw/zinc/02/34/69/500023469.db2.gz GWWNKIUHXCGAGI-ZYHUDNBSSA-N 1 1 362.257 3.183 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+]3C[C@H](C)C[C@H](CO)C3)o2)c([N+](=O)[O-])c1 ZINC000421359789 500025784 /nfs/dbraw/zinc/02/57/84/500025784.db2.gz GVUPPBVNOBEIMV-KGLIPLIRSA-N 1 1 360.410 3.314 20 5 FGBDMO CC(C)([NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccccc1[N+](=O)[O-] ZINC000429241812 500031975 /nfs/dbraw/zinc/03/19/75/500031975.db2.gz ZAKYZEBLZTVNFX-LBPRGKRZSA-N 1 1 373.375 3.220 20 5 FGBDMO COc1ccccc1CN(C)C(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429263740 500036979 /nfs/dbraw/zinc/03/69/79/500036979.db2.gz YYPHPUWQBRZRJV-UHFFFAOYSA-N 1 1 371.437 3.087 20 5 FGBDMO CC(C)[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C[C@H](O)CO ZINC000421412551 500040919 /nfs/dbraw/zinc/04/09/19/500040919.db2.gz SYDWMELTDLMBBS-ZDUSSCGKSA-N 1 1 368.817 3.072 20 5 FGBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1(C)C ZINC000579438061 506173857 /nfs/dbraw/zinc/17/38/57/506173857.db2.gz ZRRGNTYHGREBLS-IAGOWNOFSA-N 1 1 363.458 3.367 20 5 FGBDMO C[C@]1(CCCO)CCC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425419243 500100533 /nfs/dbraw/zinc/10/05/33/500100533.db2.gz KOVOYSQIGZDNCD-OAHLLOKOSA-N 1 1 357.248 3.484 20 5 FGBDMO C[C@]1(CCCO)CCC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425419243 500100529 /nfs/dbraw/zinc/10/05/29/500100529.db2.gz KOVOYSQIGZDNCD-OAHLLOKOSA-N 1 1 357.248 3.484 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000421710110 500125183 /nfs/dbraw/zinc/12/51/83/500125183.db2.gz IWDKCRNADZSTBD-AWEZNQCLSA-N 1 1 351.472 3.263 20 5 FGBDMO CC[N@H+](CCc1ccc(C(F)(F)F)cc1)CCn1ccc([N+](=O)[O-])n1 ZINC000425530462 500134486 /nfs/dbraw/zinc/13/44/86/500134486.db2.gz AYGFLZVENTXOCJ-UHFFFAOYSA-N 1 1 356.348 3.375 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+](C)Cc2cccc(C)c2C)cc1[N+](=O)[O-] ZINC000430109859 500193634 /nfs/dbraw/zinc/19/36/34/500193634.db2.gz FMZGPJPHOBXVPL-UHFFFAOYSA-N 1 1 372.421 3.395 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000430194196 500207262 /nfs/dbraw/zinc/20/72/62/500207262.db2.gz IFRCOWODFMNFRJ-QGZVFWFLSA-N 1 1 352.394 3.400 20 5 FGBDMO C[C@@H](c1ccccc1)[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000573406109 506188546 /nfs/dbraw/zinc/18/85/46/506188546.db2.gz PBUVDYWITMMODY-HNAYVOBHSA-N 1 1 358.442 3.158 20 5 FGBDMO CC1(C)CCC[C@@H]1[N@H+](Cc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000426819936 500325037 /nfs/dbraw/zinc/32/50/37/500325037.db2.gz JKQCKXWDEFWWFP-MOPGFXCFSA-N 1 1 372.469 3.233 20 5 FGBDMO CC1(C)C[C@@H](NCCC[NH2+]Cc2cccnc2)c2cc([N+](=O)[O-])ccc21 ZINC000423194249 500354308 /nfs/dbraw/zinc/35/43/08/500354308.db2.gz YQZMHGCFYREGSM-LJQANCHMSA-N 1 1 354.454 3.482 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCSC[C@@H]1C1CCC1 ZINC000419372054 500358826 /nfs/dbraw/zinc/35/88/26/500358826.db2.gz KAANUFXUFLPSBF-QGZVFWFLSA-N 1 1 363.483 3.449 20 5 FGBDMO CC[N@@H+](CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)CCC(F)(F)F ZINC000427202068 500366106 /nfs/dbraw/zinc/36/61/06/500366106.db2.gz AIKBIKHPTRCMLK-UHFFFAOYSA-N 1 1 367.755 3.252 20 5 FGBDMO O=[N+]([O-])c1cc(Br)cnc1NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000431427545 500376398 /nfs/dbraw/zinc/37/63/98/500376398.db2.gz OZSKBIDMEOAALD-GFCCVEGCSA-N 1 1 355.236 3.181 20 5 FGBDMO C[C@H]1OCC[C@@]1(O)C[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000570551679 506193783 /nfs/dbraw/zinc/19/37/83/506193783.db2.gz LZPNWVULRAKKCN-FOIQADDNSA-N 1 1 374.412 3.276 20 5 FGBDMO C[C@H]1OCC[C@@]1(O)C[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000570551679 506193785 /nfs/dbraw/zinc/19/37/85/506193785.db2.gz LZPNWVULRAKKCN-FOIQADDNSA-N 1 1 374.412 3.276 20 5 FGBDMO CCC[N@H+]1CCC[C@@H]1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000427600367 500409891 /nfs/dbraw/zinc/40/98/91/500409891.db2.gz TUTHELGKEDPVSZ-CQSZACIVSA-N 1 1 359.348 3.104 20 5 FGBDMO C[C@@H](C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000427605682 500410461 /nfs/dbraw/zinc/41/04/61/500410461.db2.gz BYSFCKNLYIDCJE-TUAOUCFPSA-N 1 1 373.375 3.491 20 5 FGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccc(CN2CCOCC2)c1 ZINC000420970186 500544305 /nfs/dbraw/zinc/54/43/05/500544305.db2.gz ZIRCRHCCKUQLMI-UHFFFAOYSA-N 1 1 369.465 3.102 20 5 FGBDMO C[N@H+]1CC[C@H](CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000442302624 500580639 /nfs/dbraw/zinc/58/06/39/500580639.db2.gz JQYZVVWPJHQDAD-CQSZACIVSA-N 1 1 371.462 3.428 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+](C)Cc2cc(C)ccc2C)cc1[N+](=O)[O-] ZINC000432892450 500586607 /nfs/dbraw/zinc/58/66/07/500586607.db2.gz PCAJSRBMWYOYMN-UHFFFAOYSA-N 1 1 372.421 3.395 20 5 FGBDMO CC(C)c1nnc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000447578393 500628342 /nfs/dbraw/zinc/62/83/42/500628342.db2.gz FFKTYAGPQAZOQS-RYUDHWBXSA-N 1 1 350.448 3.040 20 5 FGBDMO COc1cc(CN[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c([N+](=O)[O-])cc1F ZINC000573528238 506208085 /nfs/dbraw/zinc/20/80/85/506208085.db2.gz YFVZZBPVFWVCSY-LPHOPBHVSA-N 1 1 359.401 3.278 20 5 FGBDMO CC[N@H+](Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@@H]1CCNC1=O ZINC000442963098 500654220 /nfs/dbraw/zinc/65/42/20/500654220.db2.gz FFYANRKCVVRYSK-MRXNPFEDSA-N 1 1 373.384 3.237 20 5 FGBDMO CC[N@@H+](Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@@H]1CCNC1=O ZINC000442963098 500654222 /nfs/dbraw/zinc/65/42/22/500654222.db2.gz FFYANRKCVVRYSK-MRXNPFEDSA-N 1 1 373.384 3.237 20 5 FGBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000448258952 500741416 /nfs/dbraw/zinc/74/14/16/500741416.db2.gz ZWAKZXBYJUNLQP-GOSISDBHSA-N 1 1 374.485 3.389 20 5 FGBDMO Cc1cc[nH+]c(N2CCN(C(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])CC2)c1 ZINC000438933114 500837231 /nfs/dbraw/zinc/83/72/31/500837231.db2.gz DSOFKABNNSQNNC-UHFFFAOYSA-N 1 1 374.828 3.222 20 5 FGBDMO COc1ccccc1[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444647581 500872620 /nfs/dbraw/zinc/87/26/20/500872620.db2.gz HOEGPIUXQIDLKK-CYBMUJFWSA-N 1 1 352.394 3.469 20 5 FGBDMO COc1ccccc1[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444647581 500872622 /nfs/dbraw/zinc/87/26/22/500872622.db2.gz HOEGPIUXQIDLKK-CYBMUJFWSA-N 1 1 352.394 3.469 20 5 FGBDMO CCOC(=O)[C@@]1(COC)CCC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000439464536 500899917 /nfs/dbraw/zinc/89/99/17/500899917.db2.gz CTQSJJJRGPURRF-BEFAXECRSA-N 1 1 364.442 3.256 20 5 FGBDMO CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000439472567 500901615 /nfs/dbraw/zinc/90/16/15/500901615.db2.gz SEQCZZDNPYNULD-QGZVFWFLSA-N 1 1 370.833 3.040 20 5 FGBDMO CCOC(=O)[C@]1(COC)CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000439472567 500901617 /nfs/dbraw/zinc/90/16/17/500901617.db2.gz SEQCZZDNPYNULD-QGZVFWFLSA-N 1 1 370.833 3.040 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCCOCc1ccccc1 ZINC000439489570 500905856 /nfs/dbraw/zinc/90/58/56/500905856.db2.gz DATOCDIZNPBWHQ-MRXNPFEDSA-N 1 1 371.437 3.461 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000444858735 500912477 /nfs/dbraw/zinc/91/24/77/500912477.db2.gz MCQGFTIHUNIUJX-CYBMUJFWSA-N 1 1 370.409 3.322 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000439869355 500948648 /nfs/dbraw/zinc/94/86/48/500948648.db2.gz JCAQYLOHOKFYAC-KGLIPLIRSA-N 1 1 364.446 3.235 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1cnc(C(C)C)nc1 ZINC000440454880 501009569 /nfs/dbraw/zinc/00/95/69/501009569.db2.gz IXOWGGDTFOFRNF-UHFFFAOYSA-N 1 1 371.441 3.277 20 5 FGBDMO COCCCn1nccc1C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449500459 501018784 /nfs/dbraw/zinc/01/87/84/501018784.db2.gz NPEQJOHTMZLGPC-KRWDZBQOSA-N 1 1 358.442 3.207 20 5 FGBDMO CCn1ccnc1[C@@H](C)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000449562226 501033676 /nfs/dbraw/zinc/03/36/76/501033676.db2.gz ICWRRVIPVAZOHY-CYBMUJFWSA-N 1 1 354.414 3.063 20 5 FGBDMO CC(C)[N@@H+](C)CCCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436101264 501070429 /nfs/dbraw/zinc/07/04/29/501070429.db2.gz LGMUUPHFTQNRAL-UHFFFAOYSA-N 1 1 369.440 3.281 20 5 FGBDMO COc1ccc(OCC[N@@H+](C)C[C@H]2OCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000441544437 501153369 /nfs/dbraw/zinc/15/33/69/501153369.db2.gz JSMCKDKPUHDULV-HXUWFJFHSA-N 1 1 372.421 3.228 20 5 FGBDMO COc1ccc(OCC[N@@H+](C)C[C@@H]2OCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000441544435 501153425 /nfs/dbraw/zinc/15/34/25/501153425.db2.gz JSMCKDKPUHDULV-FQEVSTJZSA-N 1 1 372.421 3.228 20 5 FGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH+]1CCC(O)(C(F)F)CC1 ZINC000602625955 506237352 /nfs/dbraw/zinc/23/73/52/506237352.db2.gz VYKXBJMQYXDSLG-UHFFFAOYSA-N 1 1 354.275 3.206 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cc(Cl)c4c(c3)OCCO4)nc2c1 ZINC000446832787 501170058 /nfs/dbraw/zinc/17/00/58/501170058.db2.gz AIVVJUBLFKAZOV-UHFFFAOYSA-N 1 1 374.784 3.186 20 5 FGBDMO COc1ccc(OCC[N@H+]2CCC[C@@H](c3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000451007267 501238700 /nfs/dbraw/zinc/23/87/00/501238700.db2.gz UAOKVWJTRRWMBS-MRXNPFEDSA-N 1 1 357.410 3.257 20 5 FGBDMO COc1c(C)c[nH+]c(CN(C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1C ZINC000451380714 501279770 /nfs/dbraw/zinc/27/97/70/501279770.db2.gz YEXUFHWFLUUGIH-CQSZACIVSA-N 1 1 372.425 3.074 20 5 FGBDMO O=[N+]([O-])c1cccc([C@H](N[C@@H]2CCC[N@@H+](CCCO)C2)c2ccccc2)c1 ZINC000453280521 501307133 /nfs/dbraw/zinc/30/71/33/501307133.db2.gz BXXNYXOJOYPMHN-TZIWHRDSSA-N 1 1 369.465 3.121 20 5 FGBDMO COc1cccc(NC(=O)C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000451551716 501321987 /nfs/dbraw/zinc/32/19/87/501321987.db2.gz USNKUWULYFGIJP-INIZCTEOSA-N 1 1 369.421 3.422 20 5 FGBDMO COc1cccc(NC(=O)C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000451551716 501321990 /nfs/dbraw/zinc/32/19/90/501321990.db2.gz USNKUWULYFGIJP-INIZCTEOSA-N 1 1 369.421 3.422 20 5 FGBDMO CC(C)[N@H+]1CC[C@H](CNCc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602655208 506248072 /nfs/dbraw/zinc/24/80/72/506248072.db2.gz FQLQZBSDZPRETC-SNVBAGLBSA-N 1 1 362.293 3.239 20 5 FGBDMO O=[N+]([O-])c1cncc(Cl)c1N1CC[NH+](CCc2cccs2)CC1 ZINC000596085769 506248666 /nfs/dbraw/zinc/24/86/66/506248666.db2.gz RAUMCFIUWHFTCL-UHFFFAOYSA-N 1 1 352.847 3.069 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1ccc(C)c(C)c1 ZINC000452047490 501424519 /nfs/dbraw/zinc/42/45/19/501424519.db2.gz YJSZMUWCHJGWGP-UHFFFAOYSA-N 1 1 357.410 3.291 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1ccc(C)c(C)c1 ZINC000452047490 501424522 /nfs/dbraw/zinc/42/45/22/501424522.db2.gz YJSZMUWCHJGWGP-UHFFFAOYSA-N 1 1 357.410 3.291 20 5 FGBDMO COC[C@H]1CCC[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000452110727 501437534 /nfs/dbraw/zinc/43/75/34/501437534.db2.gz ZNJCNXDFTXQVDZ-KGLIPLIRSA-N 1 1 360.414 3.454 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000452172357 501452344 /nfs/dbraw/zinc/45/23/44/501452344.db2.gz WJXNNKAWMAWULL-KBPBESRZSA-N 1 1 363.483 3.018 20 5 FGBDMO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456310978 501494762 /nfs/dbraw/zinc/49/47/62/501494762.db2.gz RFSDUYNTSVFMTH-INIZCTEOSA-N 1 1 353.422 3.189 20 5 FGBDMO COc1ccc(C[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C2CC2)c(OC)c1 ZINC000582499467 506258840 /nfs/dbraw/zinc/25/88/40/506258840.db2.gz BXSWINLHHVQJMM-AWEZNQCLSA-N 1 1 374.441 3.109 20 5 FGBDMO C[C@H](NC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000454584287 501584353 /nfs/dbraw/zinc/58/43/53/501584353.db2.gz RNJUDIFUABWBEO-YOEHRIQHSA-N 1 1 360.458 3.220 20 5 FGBDMO C[N@@H+](CCCCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000457196862 501663763 /nfs/dbraw/zinc/66/37/63/501663763.db2.gz HVCVJACYEBGHSY-UHFFFAOYSA-N 1 1 374.466 3.323 20 5 FGBDMO COC(=O)c1cccnc1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000459512438 501666982 /nfs/dbraw/zinc/66/69/82/501666982.db2.gz NJKQXGHXASNZSO-HNNXBMFYSA-N 1 1 355.394 3.156 20 5 FGBDMO COC(=O)c1cccnc1C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000459512438 501666984 /nfs/dbraw/zinc/66/69/84/501666984.db2.gz NJKQXGHXASNZSO-HNNXBMFYSA-N 1 1 355.394 3.156 20 5 FGBDMO C[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000459623314 501688732 /nfs/dbraw/zinc/68/87/32/501688732.db2.gz QSTRBHWRBPKBCR-VHSXEESVSA-N 1 1 366.780 3.460 20 5 FGBDMO C[C@H]([NH2+][C@@H](C)c1nc2c(s1)CCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000459637396 501690734 /nfs/dbraw/zinc/69/07/34/501690734.db2.gz RQTNELFOWSLWEF-QWRGUYRKSA-N 1 1 360.439 3.218 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC4(CCC4)[C@H]4COC[C@H]43)co2)cc1 ZINC000459666167 501695596 /nfs/dbraw/zinc/69/55/96/501695596.db2.gz HBZJVUYNJAMPNK-DLBZAZTESA-N 1 1 355.394 3.251 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC4(CCC4)[C@H]4COC[C@H]43)co2)cc1 ZINC000459666167 501695599 /nfs/dbraw/zinc/69/55/99/501695599.db2.gz HBZJVUYNJAMPNK-DLBZAZTESA-N 1 1 355.394 3.251 20 5 FGBDMO C[C@H](Cc1cccc(F)c1)[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000459766139 501711183 /nfs/dbraw/zinc/71/11/83/501711183.db2.gz OVEJXIANSCMJMW-CQSZACIVSA-N 1 1 371.412 3.186 20 5 FGBDMO C[C@H]1[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000477621167 501740796 /nfs/dbraw/zinc/74/07/96/501740796.db2.gz HKARJQPZDPFBRW-YJBOKZPZSA-N 1 1 368.437 3.057 20 5 FGBDMO 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ZINC000482336726 502045187 /nfs/dbraw/zinc/04/51/87/502045187.db2.gz RSCSBZQVXXKLKQ-GOSISDBHSA-N 1 1 367.449 3.470 20 5 FGBDMO CCC[C@@H]1CCCC[N@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000475100061 502058521 /nfs/dbraw/zinc/05/85/21/502058521.db2.gz GVQLAJAZOWMCSB-OAHLLOKOSA-N 1 1 350.415 3.301 20 5 FGBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000468487355 502077290 /nfs/dbraw/zinc/07/72/90/502077290.db2.gz HWPZFGMTEZTKNJ-MRXNPFEDSA-N 1 1 365.449 3.248 20 5 FGBDMO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)CCO2 ZINC000475294436 502123690 /nfs/dbraw/zinc/12/36/90/502123690.db2.gz YKQMWTOALQVUFR-LIRRHRJNSA-N 1 1 358.394 3.235 20 5 FGBDMO C[C@@H]1OCC[C@]12C[N@@H+](Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)CCO2 ZINC000475294436 502123693 /nfs/dbraw/zinc/12/36/93/502123693.db2.gz YKQMWTOALQVUFR-LIRRHRJNSA-N 1 1 358.394 3.235 20 5 FGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000468739021 502165741 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/nfs/dbraw/zinc/22/74/88/503227488.db2.gz SVFITDQWAZRKBO-CHWSQXEVSA-N 1 1 373.375 3.436 20 5 FGBDMO CCNc1ccc(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000511709976 503373891 /nfs/dbraw/zinc/37/38/91/503373891.db2.gz ZCAZKYUZJRJSLH-GDBMZVCRSA-N 1 1 374.485 3.409 20 5 FGBDMO CCOc1cc(C[N@@H+](C[C@H]2CCCO2)[C@H]2CCSC2)ccc1[N+](=O)[O-] ZINC000492582555 503375594 /nfs/dbraw/zinc/37/55/94/503375594.db2.gz LUVLQAWDUKHVPX-JKSUJKDBSA-N 1 1 366.483 3.480 20 5 FGBDMO C[C@@H]1C[N@H+](CC2CCN(Cc3c(F)cccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000507916959 503395032 /nfs/dbraw/zinc/39/50/32/503395032.db2.gz FZYOTLXIXDETGF-GASCZTMLSA-N 1 1 365.449 3.055 20 5 FGBDMO C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000499423471 503399744 /nfs/dbraw/zinc/39/97/44/503399744.db2.gz PMPWOTUKTYMMFM-SJORKVTESA-N 1 1 367.449 3.259 20 5 FGBDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000499447913 503407102 /nfs/dbraw/zinc/40/71/02/503407102.db2.gz PAVNVWIEWVKJDX-HZPDHXFCSA-N 1 1 353.422 3.330 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000499447913 503407105 /nfs/dbraw/zinc/40/71/05/503407105.db2.gz PAVNVWIEWVKJDX-HZPDHXFCSA-N 1 1 353.422 3.330 20 5 FGBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000511911885 503414161 /nfs/dbraw/zinc/41/41/61/503414161.db2.gz WHXUSOPRFJLWGU-LBPRGKRZSA-N 1 1 372.372 3.192 20 5 FGBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000503593083 503443488 /nfs/dbraw/zinc/44/34/88/503443488.db2.gz TXIDXOTYHOTOKU-INIZCTEOSA-N 1 1 363.458 3.135 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000494058346 503480857 /nfs/dbraw/zinc/48/08/57/503480857.db2.gz FQOGUBBMGWJRFP-MAUKXSAKSA-N 1 1 353.422 3.296 20 5 FGBDMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000512414907 503542956 /nfs/dbraw/zinc/54/29/56/503542956.db2.gz IMKZBXKNWMPLIB-UHFFFAOYSA-N 1 1 359.813 3.205 20 5 FGBDMO C[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccc(-n2ccnn2)cc1 ZINC000509022874 503622033 /nfs/dbraw/zinc/62/20/33/503622033.db2.gz OEMYFUSGSIBGNI-LLVKDONJSA-N 1 1 359.336 3.305 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000500440579 503625313 /nfs/dbraw/zinc/62/53/13/503625313.db2.gz WLLGPXGUBVXJBD-IRXDYDNUSA-N 1 1 367.449 3.259 20 5 FGBDMO COc1cccc([C@@H](C)[NH+]2CCN(c3nc(C)cc(C)c3[N+](=O)[O-])CC2)c1 ZINC000517049720 503650386 /nfs/dbraw/zinc/65/03/86/503650386.db2.gz AQWIJRRSAKNISE-MRXNPFEDSA-N 1 1 370.453 3.498 20 5 FGBDMO CC(=O)N1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)[C@@H](C)C1 ZINC000536672238 503673581 /nfs/dbraw/zinc/67/35/81/503673581.db2.gz DWHZTLMOQOAEGJ-ZDUSSCGKSA-N 1 1 359.451 3.376 20 5 FGBDMO CC(=O)N1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)[C@@H](C)C1 ZINC000536672238 503673585 /nfs/dbraw/zinc/67/35/85/503673585.db2.gz DWHZTLMOQOAEGJ-ZDUSSCGKSA-N 1 1 359.451 3.376 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000495144316 503681122 /nfs/dbraw/zinc/68/11/22/503681122.db2.gz ABCXAQHHGFOPAT-UHFFFAOYSA-N 1 1 369.421 3.492 20 5 FGBDMO CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000532971396 503681701 /nfs/dbraw/zinc/68/17/01/503681701.db2.gz HVLKCIFGXWRBJW-LSDHHAIUSA-N 1 1 369.849 3.322 20 5 FGBDMO CCO[C@@H]1C[C@H]([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000532971396 503681710 /nfs/dbraw/zinc/68/17/10/503681710.db2.gz HVLKCIFGXWRBJW-LSDHHAIUSA-N 1 1 369.849 3.322 20 5 FGBDMO CCc1ccc([C@@H]([NH2+][C@@H]2CCC(=O)N(C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543402219 503755636 /nfs/dbraw/zinc/75/56/36/503755636.db2.gz GKVLZCCYOZOJBD-KUHUBIRLSA-N 1 1 357.410 3.050 20 5 FGBDMO Cc1cc([C@H]2CCC[N@H+]2CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)on1 ZINC000533241210 503772133 /nfs/dbraw/zinc/77/21/33/503772133.db2.gz SYQUOIVBEOUBSV-CQSZACIVSA-N 1 1 372.381 3.026 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](Nc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000533500922 503866620 /nfs/dbraw/zinc/86/66/20/503866620.db2.gz MBYFKDPOVSXSTD-RDJZCZTQSA-N 1 1 368.437 3.417 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H](Nc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000533500922 503866627 /nfs/dbraw/zinc/86/66/27/503866627.db2.gz MBYFKDPOVSXSTD-RDJZCZTQSA-N 1 1 368.437 3.417 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@H]2C2CCOCC2)cccc1[N+](=O)[O-] ZINC000540826425 503906595 /nfs/dbraw/zinc/90/65/95/503906595.db2.gz JVCLJVHASSPKEH-SFHVURJKSA-N 1 1 361.442 3.123 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@H+]2C[C@H](C)[C@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000543905036 503936190 /nfs/dbraw/zinc/93/61/90/503936190.db2.gz AXZYFWBHANURDD-YSVLISHTSA-N 1 1 361.442 3.443 20 5 FGBDMO COc1cc(C[N@@H+](C)CC(C)(C)OC)c([N+](=O)[O-])cc1OCC(F)F ZINC000540916335 503937525 /nfs/dbraw/zinc/93/75/25/503937525.db2.gz OOCGMPFGKOZQHR-UHFFFAOYSA-N 1 1 362.373 3.104 20 5 FGBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000518281764 503942555 /nfs/dbraw/zinc/94/25/55/503942555.db2.gz HAVQWEKNQVHAPR-CXAGYDPISA-N 1 1 357.385 3.299 20 5 FGBDMO O=[N+]([O-])c1cc2ccccc2nc1N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000530436871 503963966 /nfs/dbraw/zinc/96/39/66/503963966.db2.gz WPTXMDWSJGEUSD-DLBZAZTESA-N 1 1 356.426 3.198 20 5 FGBDMO C[C@]12CCC[N@@H+]1C[C@@H](c1noc(/C=C/c3cccc([N+](=O)[O-])c3)n1)OC2 ZINC000518835178 504074334 /nfs/dbraw/zinc/07/43/34/504074334.db2.gz GEROAKDEGJYPDT-XDWWLABZSA-N 1 1 356.382 3.074 20 5 FGBDMO C[C@]12CCC[N@H+]1C[C@@H](c1noc(/C=C/c3cccc([N+](=O)[O-])c3)n1)OC2 ZINC000518835178 504074340 /nfs/dbraw/zinc/07/43/40/504074340.db2.gz GEROAKDEGJYPDT-XDWWLABZSA-N 1 1 356.382 3.074 20 5 FGBDMO CCOc1cccc(NC[C@@H](CC(C)C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000544353972 504099752 /nfs/dbraw/zinc/09/97/52/504099752.db2.gz REHBGPPYCZNBKR-OAHLLOKOSA-N 1 1 351.447 3.152 20 5 FGBDMO C[C@H](C(=O)Nc1c[nH+]ccc1-n1cccn1)c1ccc([N+](=O)[O-])cc1F ZINC000544444785 504137499 /nfs/dbraw/zinc/13/74/99/504137499.db2.gz JAAOJCZBUYZQGV-NSHDSACASA-N 1 1 355.329 3.057 20 5 FGBDMO CCOC(=O)c1cc(N[C@@H]2C[N@@H+](C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000534530309 504168567 /nfs/dbraw/zinc/16/85/67/504168567.db2.gz AJEUAFAXFNKHAT-QGZVFWFLSA-N 1 1 355.394 3.370 20 5 FGBDMO CCc1ccc([C@H]([NH2+][C@@H]2CCC[C@@H]2C(=O)NC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541566625 504179108 /nfs/dbraw/zinc/17/91/08/504179108.db2.gz WIZGDESNMAVERW-YQVWRLOYSA-N 1 1 371.437 3.344 20 5 FGBDMO C[C@H]([NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccccc1[N+](=O)[O-] ZINC000538277533 504184801 /nfs/dbraw/zinc/18/48/01/504184801.db2.gz UYLCXZOWDKDOLU-RYUDHWBXSA-N 1 1 359.348 3.046 20 5 FGBDMO O=C(NCCC[N@H+]1CCc2ccccc2C1)Nc1ccc([N+](=O)[O-])cc1F ZINC000541781797 504253278 /nfs/dbraw/zinc/25/32/78/504253278.db2.gz QHRCOEFLZPVOKX-UHFFFAOYSA-N 1 1 372.400 3.304 20 5 FGBDMO CN(C)c1nccc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)n1 ZINC000541852585 504276856 /nfs/dbraw/zinc/27/68/56/504276856.db2.gz QUPUPGSGDMAUTQ-UHFFFAOYSA-N 1 1 353.382 3.001 20 5 FGBDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1(C)C ZINC000538719317 504341122 /nfs/dbraw/zinc/34/11/22/504341122.db2.gz ANATZEPHDDXSQN-SJORKVTESA-N 1 1 352.431 3.247 20 5 FGBDMO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000542278704 504436185 /nfs/dbraw/zinc/43/61/85/504436185.db2.gz IHAKYGQAZKEXTO-NEWSRXKRSA-N 1 1 370.449 3.288 20 5 FGBDMO CSc1ccc(C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000520760893 504575906 /nfs/dbraw/zinc/57/59/06/504575906.db2.gz KCNMFDDLMRJPDL-BETUJISGSA-N 1 1 351.472 3.309 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000532590510 504704553 /nfs/dbraw/zinc/70/45/53/504704553.db2.gz ZXZXVKPVCNAZAK-CQSZACIVSA-N 1 1 358.442 3.174 20 5 FGBDMO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000549167831 504709551 /nfs/dbraw/zinc/70/95/51/504709551.db2.gz HANUWDHKRMVDBY-MRXNPFEDSA-N 1 1 355.438 3.289 20 5 FGBDMO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000549167831 504709559 /nfs/dbraw/zinc/70/95/59/504709559.db2.gz HANUWDHKRMVDBY-MRXNPFEDSA-N 1 1 355.438 3.289 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@@H+](C)Cc2ccccc2)c1 ZINC000549212548 504725861 /nfs/dbraw/zinc/72/58/61/504725861.db2.gz AFYJWWBFVFEGNH-UHFFFAOYSA-N 1 1 371.437 3.245 20 5 FGBDMO COc1cc(NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000536430489 504732023 /nfs/dbraw/zinc/73/20/23/504732023.db2.gz WKJYXINAKVIWJT-BETUJISGSA-N 1 1 355.410 3.044 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000532699133 504739117 /nfs/dbraw/zinc/73/91/17/504739117.db2.gz BJUYNFHHVQZJDV-SOLBZPMBSA-N 1 1 374.485 3.179 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000536510557 504751710 /nfs/dbraw/zinc/75/17/10/504751710.db2.gz RZCRNLJAWPZPTP-CQSZACIVSA-N 1 1 358.442 3.174 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)n1 ZINC000553001810 504802555 /nfs/dbraw/zinc/80/25/55/504802555.db2.gz SLCGLOPLEJSRJI-HIFRSBDPSA-N 1 1 370.409 3.024 20 5 FGBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000553168429 504843012 /nfs/dbraw/zinc/84/30/12/504843012.db2.gz IYAJBROALGGEGJ-PBHICJAKSA-N 1 1 373.453 3.143 20 5 FGBDMO CC(=O)c1cc(NCC2([NH+]3CCOCC3)CCCCC2)ccc1[N+](=O)[O-] ZINC000553250942 504864020 /nfs/dbraw/zinc/86/40/20/504864020.db2.gz VAVKLNNWGTZQSA-UHFFFAOYSA-N 1 1 361.442 3.244 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC=C(c2ccccc2)C1 ZINC000556507333 504892396 /nfs/dbraw/zinc/89/23/96/504892396.db2.gz APJWSAKUGNHMHE-GOSISDBHSA-N 1 1 354.406 3.124 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000553787093 505011656 /nfs/dbraw/zinc/01/16/56/505011656.db2.gz TUSWPBSHJZSKEY-GOSISDBHSA-N 1 1 363.483 3.263 20 5 FGBDMO CC[C@H]1CCCC[N@H+]1CCN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000560524945 505114310 /nfs/dbraw/zinc/11/43/10/505114310.db2.gz RXOOLLQYPUBSRT-HKUYNNGSSA-N 1 1 371.485 3.272 20 5 FGBDMO CN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000566589553 505214027 /nfs/dbraw/zinc/21/40/27/505214027.db2.gz CZTUAHNMZMELSY-MRXNPFEDSA-N 1 1 372.400 3.472 20 5 FGBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000557734555 505216662 /nfs/dbraw/zinc/21/66/62/505216662.db2.gz ASAFSGRJVMMODV-AWEZNQCLSA-N 1 1 369.849 3.008 20 5 FGBDMO CC[N@@H+](C)[C@H](C(=O)N(C)CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000560992849 505224487 /nfs/dbraw/zinc/22/44/87/505224487.db2.gz GHKNHYFZKCKKAK-IBGZPJMESA-N 1 1 355.438 3.289 20 5 FGBDMO C[C@@H](CNC(=O)[C@@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000554835854 505276312 /nfs/dbraw/zinc/27/63/12/505276312.db2.gz ZOGOTTNGNMJBAS-DLBZAZTESA-N 1 1 369.465 3.378 20 5 FGBDMO C[C@H]1Cc2ccccc2N1C(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000554845592 505279044 /nfs/dbraw/zinc/27/90/44/505279044.db2.gz BZKUHGIWHYPLRC-HNNXBMFYSA-N 1 1 353.422 3.047 20 5 FGBDMO C[C@H]1Cc2ccccc2N1C(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000554845592 505279047 /nfs/dbraw/zinc/27/90/47/505279047.db2.gz BZKUHGIWHYPLRC-HNNXBMFYSA-N 1 1 353.422 3.047 20 5 FGBDMO CC[N@@H+](CCC1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1)CC1CC1 ZINC000561286436 505305356 /nfs/dbraw/zinc/30/53/56/505305356.db2.gz NDNPZUXPBYFCDD-UHFFFAOYSA-N 1 1 374.485 3.032 20 5 FGBDMO CCCC[N@H+]1CCCC[C@@H]1CNc1nccc(C(=O)OCC)c1[N+](=O)[O-] ZINC000564302160 505377631 /nfs/dbraw/zinc/37/76/31/505377631.db2.gz NSASGKKBFPWBER-CQSZACIVSA-N 1 1 364.446 3.233 20 5 FGBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000567196063 505392038 /nfs/dbraw/zinc/39/20/38/505392038.db2.gz HJKZEPVVBTWIMU-WMZOPIPTSA-N 1 1 374.485 3.214 20 5 FGBDMO C[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000555315107 505405300 /nfs/dbraw/zinc/40/53/00/505405300.db2.gz SFSFIDHPDDBSCN-ZSZQSSIHSA-N 1 1 357.454 3.174 20 5 FGBDMO CSc1ccc(C(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000561759939 505428811 /nfs/dbraw/zinc/42/88/11/505428811.db2.gz FKNMLMHIIKKCOU-VNHYZAJKSA-N 1 1 363.483 3.119 20 5 FGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCn1cc(Br)cn1 ZINC000561796498 505439846 /nfs/dbraw/zinc/43/98/46/505439846.db2.gz CQCCHXKTCTXLKV-LLVKDONJSA-N 1 1 353.220 3.247 20 5 FGBDMO Cc1nc(C)c(CC[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000552249677 505440510 /nfs/dbraw/zinc/44/05/10/505440510.db2.gz HNLSSJVHFUCHMA-KRWDZBQOSA-N 1 1 371.466 3.323 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]CCC[C@@H]1CCCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000552276312 505448665 /nfs/dbraw/zinc/44/86/65/505448665.db2.gz SIAHVEZEANEWDJ-KFKAGJAMSA-N 1 1 372.469 3.339 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]C[C@](C)(O)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000552283402 505450361 /nfs/dbraw/zinc/45/03/61/505450361.db2.gz BTCAVZZOPHEWMC-ICSRJNTNSA-N 1 1 372.469 3.339 20 5 FGBDMO O=C(c1ccccc1)N1CC[C@H](C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000558723957 505474072 /nfs/dbraw/zinc/47/40/72/505474072.db2.gz OWOKVHUEKVAREX-MRXNPFEDSA-N 1 1 365.433 3.115 20 5 FGBDMO Cc1ccc(C[N@H+](Cc2ccccc2)C[C@@]2(O)CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000561982368 505483912 /nfs/dbraw/zinc/48/39/12/505483912.db2.gz NIHIPBLJJFHKMW-UTKZUKDTSA-N 1 1 370.449 3.445 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)c([N+](=O)[O-])cc1OC ZINC000564986266 505565468 /nfs/dbraw/zinc/56/54/68/505565468.db2.gz PPTCLGJXWUYPJB-HIFRSBDPSA-N 1 1 350.415 3.003 20 5 FGBDMO CCOc1cccc(NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c1[N+](=O)[O-] ZINC000596424597 506398011 /nfs/dbraw/zinc/39/80/11/506398011.db2.gz TVWGQBLPTRPNJO-KRWDZBQOSA-N 1 1 371.437 3.172 20 5 FGBDMO O=[N+]([O-])c1cnccc1N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000612101799 506434565 /nfs/dbraw/zinc/43/45/65/506434565.db2.gz OJJAATTTWGDXID-RCCFBDPRSA-N 1 1 352.438 3.124 20 5 FGBDMO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000589178182 506471086 /nfs/dbraw/zinc/47/10/86/506471086.db2.gz DLEXPPRBDZIWHB-DNXIFWLFSA-N 1 1 353.426 3.080 20 5 FGBDMO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000589186976 506475363 /nfs/dbraw/zinc/47/53/63/506475363.db2.gz NQQPGFKPTHAHJP-QWFCFKBJSA-N 1 1 354.406 3.305 20 5 FGBDMO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000589186976 506475370 /nfs/dbraw/zinc/47/53/70/506475370.db2.gz NQQPGFKPTHAHJP-QWFCFKBJSA-N 1 1 354.406 3.305 20 5 FGBDMO CCN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CC[N@@H+](CC)C1 ZINC000596696239 506543325 /nfs/dbraw/zinc/54/33/25/506543325.db2.gz ZDGIRCLSYRRWLW-GFCCVEGCSA-N 1 1 372.372 3.144 20 5 FGBDMO CCOc1ccc(C[N@H+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])cc1 ZINC000589494469 506569051 /nfs/dbraw/zinc/56/90/51/506569051.db2.gz PLQFCVINAZPRAI-UHFFFAOYSA-N 1 1 358.394 3.412 20 5 FGBDMO CCOc1ccc(C[N@@H+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])cc1 ZINC000589494469 506569057 /nfs/dbraw/zinc/56/90/57/506569057.db2.gz PLQFCVINAZPRAI-UHFFFAOYSA-N 1 1 358.394 3.412 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@H](C)Cc2ccc(O)cc2)c1 ZINC000589498470 506570632 /nfs/dbraw/zinc/57/06/32/506570632.db2.gz ZAPLTLXFFMTQIW-CYBMUJFWSA-N 1 1 358.394 3.150 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000603860671 506638682 /nfs/dbraw/zinc/63/86/82/506638682.db2.gz QUEARBALSBPAPN-BETUJISGSA-N 1 1 351.476 3.474 20 5 FGBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599831324 506663395 /nfs/dbraw/zinc/66/33/95/506663395.db2.gz LJNPEMQLQACJHJ-AWEZNQCLSA-N 1 1 371.441 3.481 20 5 FGBDMO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)[N@H+]1CCC[C@@H](C)C1 ZINC000599830482 506664176 /nfs/dbraw/zinc/66/41/76/506664176.db2.gz JENACXIVRIUSLI-ZIAGYGMSSA-N 1 1 371.441 3.385 20 5 FGBDMO O=C1C[C@H]([NH+]2CCC3(CCCCC3)CC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000608834623 506721712 /nfs/dbraw/zinc/72/17/12/506721712.db2.gz JGBSNRNJVTZWCX-KRWDZBQOSA-N 1 1 371.437 3.273 20 5 FGBDMO CN(c1ccccc1)c1ccc(C[N@@H+](C)C[C@@H]2COCCO2)cc1[N+](=O)[O-] ZINC000597208311 506837850 /nfs/dbraw/zinc/83/78/50/506837850.db2.gz ZMGSCJWSZVBJLL-GOSISDBHSA-N 1 1 371.437 3.210 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000597227280 506847918 /nfs/dbraw/zinc/84/79/18/506847918.db2.gz CGZMYDCOUZFJJL-INIZCTEOSA-N 1 1 362.426 3.159 20 5 FGBDMO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000600228506 506860296 /nfs/dbraw/zinc/86/02/96/506860296.db2.gz CIJSWZCUGVEFAJ-GOSISDBHSA-N 1 1 373.453 3.081 20 5 FGBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](c3ccco3)C2)c([N+](=O)[O-])c1 ZINC000609540415 506914153 /nfs/dbraw/zinc/91/41/53/506914153.db2.gz VOQZJNFAZVLUMG-STQMWFEESA-N 1 1 359.382 3.013 20 5 FGBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](c3ccco3)C2)c([N+](=O)[O-])c1 ZINC000609540415 506914156 /nfs/dbraw/zinc/91/41/56/506914156.db2.gz VOQZJNFAZVLUMG-STQMWFEESA-N 1 1 359.382 3.013 20 5 FGBDMO CC(C)Oc1cc(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)ccc1[N+](=O)[O-] ZINC000600469830 506962098 /nfs/dbraw/zinc/96/20/98/506962098.db2.gz LBHAACQJOUDHIY-INIZCTEOSA-N 1 1 361.442 3.129 20 5 FGBDMO CNc1c(C(=O)NCc2ccccc2-n2cc[nH+]c2C)cccc1[N+](=O)[O-] ZINC000613229096 506982580 /nfs/dbraw/zinc/98/25/80/506982580.db2.gz RDIAOBQTQUTBMV-UHFFFAOYSA-N 1 1 365.393 3.061 20 5 FGBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000594195711 507000239 /nfs/dbraw/zinc/00/02/39/507000239.db2.gz HQUFSSOVHRMTRI-CABCVRRESA-N 1 1 371.359 3.360 20 5 FGBDMO COc1cc(C[N@@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000613286001 507010661 /nfs/dbraw/zinc/01/06/61/507010661.db2.gz NXTQRWFNGUQRCF-IYBDPMFKSA-N 1 1 371.412 3.311 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c([N+](=O)[O-])cc1F ZINC000613383409 507061983 /nfs/dbraw/zinc/06/19/83/507061983.db2.gz NLGDXXVRWKAXSJ-UONOGXRCSA-N 1 1 352.406 3.381 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+]3CCC[C@@H]4COC[C@@H]43)o2)c([N+](=O)[O-])c1 ZINC000590972141 507067844 /nfs/dbraw/zinc/06/78/44/507067844.db2.gz JWDYLVJTJOCTQR-ACJLOTCBSA-N 1 1 358.394 3.474 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000597858147 507136582 /nfs/dbraw/zinc/13/65/82/507136582.db2.gz KKBQOKVMFYQTNC-NSHDSACASA-N 1 1 359.348 3.216 20 5 FGBDMO CCN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CC[N@@H+](CC)C1 ZINC000598042256 507230711 /nfs/dbraw/zinc/23/07/11/507230711.db2.gz WQIBWBPCVGBWRH-CYBMUJFWSA-N 1 1 359.348 3.170 20 5 FGBDMO Cc1nn(-c2ccccc2)cc1C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601149131 507277474 /nfs/dbraw/zinc/27/74/74/507277474.db2.gz JECTYSLWJSWINS-FQEVSTJZSA-N 1 1 366.421 3.086 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@@H]3CCO[C@@H](c4ccncc4)C3)c2c1 ZINC000601170497 507286394 /nfs/dbraw/zinc/28/63/94/507286394.db2.gz CBIGCNNWUGBDKW-AUUYWEPGSA-N 1 1 350.378 3.292 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000598195898 507308118 /nfs/dbraw/zinc/30/81/18/507308118.db2.gz WAKPXUVHJIIQKI-LJQANCHMSA-N 1 1 367.449 3.292 20 5 FGBDMO CC(C)(NC(=O)NCC[NH+]1Cc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000610641687 507329291 /nfs/dbraw/zinc/32/92/91/507329291.db2.gz ZQROYZZPORVFFY-UHFFFAOYSA-N 1 1 368.437 3.145 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCN(c2ccccc2)C1=O ZINC000595013156 507353802 /nfs/dbraw/zinc/35/38/02/507353802.db2.gz FTWVCZDQTDOCAA-CXAGYDPISA-N 1 1 355.394 3.060 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000610712173 507359462 /nfs/dbraw/zinc/35/94/62/507359462.db2.gz QRQVVEOHDVFMHH-MRXNPFEDSA-N 1 1 357.385 3.080 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000591840742 507386255 /nfs/dbraw/zinc/38/62/55/507386255.db2.gz HBEVOTGMAPCWFQ-LLVKDONJSA-N 1 1 365.231 3.460 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000591840742 507386262 /nfs/dbraw/zinc/38/62/62/507386262.db2.gz HBEVOTGMAPCWFQ-LLVKDONJSA-N 1 1 365.231 3.460 20 5 FGBDMO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000610891296 507433451 /nfs/dbraw/zinc/43/34/51/507433451.db2.gz IYRQZSNPDXIXBU-UHFFFAOYSA-N 1 1 361.442 3.029 20 5 FGBDMO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000610891296 507433456 /nfs/dbraw/zinc/43/34/56/507433456.db2.gz IYRQZSNPDXIXBU-UHFFFAOYSA-N 1 1 361.442 3.029 20 5 FGBDMO COc1ccccc1[C@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000610944634 507449879 /nfs/dbraw/zinc/44/98/79/507449879.db2.gz CCHSKGVJUBVJLR-QGZVFWFLSA-N 1 1 369.421 3.430 20 5 FGBDMO COc1ccccc1[C@H]1CCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000610944634 507449888 /nfs/dbraw/zinc/44/98/88/507449888.db2.gz CCHSKGVJUBVJLR-QGZVFWFLSA-N 1 1 369.421 3.430 20 5 FGBDMO O=C(C[N@@H+]1CCC[C@H]1[C@H]1CCCOC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000592134974 507498195 /nfs/dbraw/zinc/49/81/95/507498195.db2.gz XMCHLEYRVAXQJV-LRDDRELGSA-N 1 1 367.833 3.078 20 5 FGBDMO O=C(C[N@H+]1CCC[C@H]1[C@H]1CCCOC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000592134974 507498201 /nfs/dbraw/zinc/49/82/01/507498201.db2.gz XMCHLEYRVAXQJV-LRDDRELGSA-N 1 1 367.833 3.078 20 5 FGBDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)Cc3onc(C)c3[N+](=O)[O-])C2)s1 ZINC000595478826 507521162 /nfs/dbraw/zinc/52/11/62/507521162.db2.gz XAYSNUSBZURLIX-CQSZACIVSA-N 1 1 364.471 3.215 20 5 FGBDMO COC(=O)C[C@](C)([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000595485136 507523785 /nfs/dbraw/zinc/52/37/85/507523785.db2.gz VPPRLUZZSAWUAU-SFHVURJKSA-N 1 1 364.348 3.441 20 5 FGBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@@H](C)OC3(CCCC3)C2)cccc1[N+](=O)[O-] ZINC000592193291 507534144 /nfs/dbraw/zinc/53/41/44/507534144.db2.gz LRWMRFGQWHIRTJ-CQSZACIVSA-N 1 1 361.442 3.265 20 5 FGBDMO O=C1N[C@@H]2CCCC[C@@H]2C[C@H]1[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000595524332 507542289 /nfs/dbraw/zinc/54/22/89/507542289.db2.gz LXMLYUSWIJUSGN-PSBWJHGTSA-N 1 1 357.454 3.222 20 5 FGBDMO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(Cl)cc1Cl ZINC000611185012 507552512 /nfs/dbraw/zinc/55/25/12/507552512.db2.gz ZKWOXUMEOYZRCH-UHFFFAOYSA-N 1 1 356.209 3.195 20 5 FGBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(Cl)cc1Cl ZINC000611185012 507552519 /nfs/dbraw/zinc/55/25/19/507552519.db2.gz ZKWOXUMEOYZRCH-UHFFFAOYSA-N 1 1 356.209 3.195 20 5 FGBDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000595564701 507563636 /nfs/dbraw/zinc/56/36/36/507563636.db2.gz UUISQLLOYVNICO-DLBZAZTESA-N 1 1 358.369 3.123 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000611303434 507613083 /nfs/dbraw/zinc/61/30/83/507613083.db2.gz NGDGIZCNMUGRST-KGLIPLIRSA-N 1 1 361.442 3.443 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000611303434 507613088 /nfs/dbraw/zinc/61/30/88/507613088.db2.gz NGDGIZCNMUGRST-KGLIPLIRSA-N 1 1 361.442 3.443 20 5 FGBDMO COc1cc(C[N@H+]2CCCC[C@@H]2[C@H](C)CO)c([N+](=O)[O-])cc1OC(F)F ZINC000595671106 507620625 /nfs/dbraw/zinc/62/06/25/507620625.db2.gz NENBJRROISFISL-DGCLKSJQSA-N 1 1 374.384 3.188 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000595702383 507637195 /nfs/dbraw/zinc/63/71/95/507637195.db2.gz JAUHJQKNHOAPSR-IAGOWNOFSA-N 1 1 374.485 3.357 20 5 FGBDMO O=[N+]([O-])c1cccc2ncnc(N3CC[C@H](n4c[nH+]c5c4CCCC5)C3)c21 ZINC000614735436 507640984 /nfs/dbraw/zinc/64/09/84/507640984.db2.gz PYYKIUTZCCEGHN-ZDUSSCGKSA-N 1 1 364.409 3.065 20 5 FGBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C[C@H]1C ZINC000611404273 507663408 /nfs/dbraw/zinc/66/34/08/507663408.db2.gz RHLHPYNZBUGUJU-CYBMUJFWSA-N 1 1 351.472 3.262 20 5 FGBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C[C@H]1C ZINC000611404273 507663416 /nfs/dbraw/zinc/66/34/16/507663416.db2.gz RHLHPYNZBUGUJU-CYBMUJFWSA-N 1 1 351.472 3.262 20 5 FGBDMO Cn1cc(-c2nc(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])cs2)cn1 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O=C(C[N@H+]1CC2CC1(c1ccccc1)C2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595909766 507736916 /nfs/dbraw/zinc/73/69/16/507736916.db2.gz CXGJCUFBMUKSPR-UHFFFAOYSA-N 1 1 363.417 3.105 20 5 FGBDMO Cc1nn(C)cc1[C@H](C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602550172 507746074 /nfs/dbraw/zinc/74/60/74/507746074.db2.gz KCMOJZAUNFLANY-ZETCQYMHSA-N 1 1 359.249 3.312 20 5 FGBDMO CC(C)N(C(=O)c1ccc([N+](=O)[O-])n1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000592693964 507766719 /nfs/dbraw/zinc/76/67/19/507766719.db2.gz FORGTHAZQCSALF-KRWDZBQOSA-N 1 1 370.453 3.058 20 5 FGBDMO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000821609947 607176422 /nfs/dbraw/zinc/17/64/22/607176422.db2.gz SKQBOHWFZSQWEI-UHFFFAOYSA-N 1 1 358.789 3.060 20 5 FGBDMO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000821609947 607176423 /nfs/dbraw/zinc/17/64/23/607176423.db2.gz SKQBOHWFZSQWEI-UHFFFAOYSA-N 1 1 358.789 3.060 20 5 FGBDMO Cc1ccc(C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)cc1[N+](=O)[O-] ZINC000826287745 608519483 /nfs/dbraw/zinc/51/94/83/608519483.db2.gz AQRFVCVYCBOPFR-UHFFFAOYSA-N 1 1 364.409 3.248 20 5 FGBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000128932131 700781394 /nfs/dbraw/zinc/78/13/94/700781394.db2.gz GJEMYWJDRYCEFN-HNNXBMFYSA-N 1 1 351.422 3.427 20 5 FGBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000154950968 705056232 /nfs/dbraw/zinc/05/62/32/705056232.db2.gz SXPCWVJAPONQSJ-ZDUSSCGKSA-N 1 1 353.850 3.490 20 5 FGBDMO CO[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000374661380 713937454 /nfs/dbraw/zinc/93/74/54/713937454.db2.gz HOJNVUNSERHMOH-AAEUAGOBSA-N 1 1 355.822 3.076 20 5 FGBDMO CO[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000374661380 713937455 /nfs/dbraw/zinc/93/74/55/713937455.db2.gz HOJNVUNSERHMOH-AAEUAGOBSA-N 1 1 355.822 3.076 20 5 FGBDMO CC(C)C[N@H+]1CCO[C@@H](CNc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000524267187 714275786 /nfs/dbraw/zinc/27/57/86/714275786.db2.gz HFZCSZXNZSHNRO-ZDUSSCGKSA-N 1 1 372.263 3.126 20 5 FGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000619785237 714870603 /nfs/dbraw/zinc/87/06/03/714870603.db2.gz PKBCCNCRRCZVKA-KRWDZBQOSA-N 1 1 364.829 3.162 20 5 FGBDMO COCC[N@H+]1CCC[C@@H]1CNc1ccc(C)c(Br)c1[N+](=O)[O-] ZINC000804426497 724516185 /nfs/dbraw/zinc/51/61/85/724516185.db2.gz ARTARUJIDJOHJL-GFCCVEGCSA-N 1 1 372.263 3.188 20 5 FGBDMO Cc1nc(C[N@H+]2CCCC23CCN(c2cccc([N+](=O)[O-])n2)CC3)cs1 ZINC001164692235 719805468 /nfs/dbraw/zinc/80/54/68/719805468.db2.gz LWACWCLVXWFSAS-UHFFFAOYSA-N 1 1 373.482 3.390 20 5 FGBDMO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)OCc1ccc([N+](=O)[O-])cc1Cl ZINC000782342283 724655652 /nfs/dbraw/zinc/65/56/52/724655652.db2.gz UYBQAECCZPVHRI-MRXNPFEDSA-N 1 1 370.833 3.085 20 5 FGBDMO Cc1c(C)c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)ncc1[N+](=O)[O-] ZINC001164863449 720970799 /nfs/dbraw/zinc/97/07/99/720970799.db2.gz VQAIFAFVNRXHSZ-HNNXBMFYSA-N 1 1 372.473 3.225 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000783918293 724803358 /nfs/dbraw/zinc/80/33/58/724803358.db2.gz IEBIOVAODFPZFN-ZDUSSCGKSA-N 1 1 351.472 3.311 20 5 FGBDMO CCc1ccc([C@@H]([NH2+]CC[S@@](=O)CC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000753665749 722908625 /nfs/dbraw/zinc/90/86/25/722908625.db2.gz UEXZETZEPHPTGB-XDHUDOTRSA-N 1 1 350.440 3.198 20 5 FGBDMO CC(C)N(C)C(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000761506901 723160161 /nfs/dbraw/zinc/16/01/61/723160161.db2.gz OWUKJHHLYISART-UHFFFAOYSA-N 1 1 353.850 3.327 20 5 FGBDMO C[C@]12CC[N@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@H]1C2(Cl)Cl ZINC000793612162 723454707 /nfs/dbraw/zinc/45/47/07/723454707.db2.gz HABAWDSBUAJGGK-CABCVRRESA-N 1 1 373.236 3.382 20 5 FGBDMO C[C@]12CC[N@@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@H]1C2(Cl)Cl ZINC000793612162 723454711 /nfs/dbraw/zinc/45/47/11/723454711.db2.gz HABAWDSBUAJGGK-CABCVRRESA-N 1 1 373.236 3.382 20 5 FGBDMO Cc1[nH+]ccn1CCCOC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000767616800 723625700 /nfs/dbraw/zinc/62/57/00/723625700.db2.gz BPLKFEVLZMFTCM-NSHDSACASA-N 1 1 367.789 3.154 20 5 FGBDMO C[N@@H+](CCOC(=O)c1cc(F)ccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000769093348 723676616 /nfs/dbraw/zinc/67/66/16/723676616.db2.gz UKBQFTZXEIMWII-UHFFFAOYSA-N 1 1 350.321 3.162 20 5 FGBDMO O=[N+]([O-])c1cc2cnn(C[N@H+]3CC[C@@H](C4CCOCC4)C3)c2c(Cl)c1 ZINC000774640053 723913673 /nfs/dbraw/zinc/91/36/73/723913673.db2.gz PCNCWWCPJVHART-CYBMUJFWSA-N 1 1 364.833 3.304 20 5 FGBDMO CC(C)S(=O)(=O)CC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000808726625 725214906 /nfs/dbraw/zinc/21/49/06/725214906.db2.gz JBKYBCBYFVJANI-SFHVURJKSA-N 1 1 362.451 3.097 20 5 FGBDMO C[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)[N@H+]1CCC[C@H](C)C1 ZINC000809919478 725275986 /nfs/dbraw/zinc/27/59/86/725275986.db2.gz KZJFLXOIAXIKAH-RYUDHWBXSA-N 1 1 354.838 3.490 20 5 FGBDMO O=C1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CN1c1ccccc1F ZINC000812782369 726811054 /nfs/dbraw/zinc/81/10/54/726811054.db2.gz RQURIQFFWMGOSB-CYBMUJFWSA-N 1 1 363.776 3.282 20 5 FGBDMO CSCC(C)(C)C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813174511 726846687 /nfs/dbraw/zinc/84/66/87/726846687.db2.gz VYOHPSGWGQTUJU-HNNXBMFYSA-N 1 1 352.456 3.102 20 5 FGBDMO CSCC(C)(C)C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813174511 726846691 /nfs/dbraw/zinc/84/66/91/726846691.db2.gz VYOHPSGWGQTUJU-HNNXBMFYSA-N 1 1 352.456 3.102 20 5 FGBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000813411021 726871926 /nfs/dbraw/zinc/87/19/26/726871926.db2.gz WOYRJEYBPSEORH-SNVBAGLBSA-N 1 1 360.241 3.363 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)c1F ZINC000822059966 729143575 /nfs/dbraw/zinc/14/35/75/729143575.db2.gz XQHBJICCIPZDND-JQWIXIFHSA-N 1 1 355.385 3.032 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)ccc1Br ZINC000824716755 729356263 /nfs/dbraw/zinc/35/62/63/729356263.db2.gz ZQSWTUOERQYQHN-BJJXKVORSA-N 1 1 369.259 3.483 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)c1F ZINC000834736093 729829734 /nfs/dbraw/zinc/82/97/34/729829734.db2.gz GLCQJHRFOZRBLB-GFCCVEGCSA-N 1 1 355.385 3.032 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)cc1Cl ZINC000836461327 729956538 /nfs/dbraw/zinc/95/65/38/729956538.db2.gz CMBVKZOMLXHWLV-AAEUAGOBSA-N 1 1 353.850 3.407 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@]4(CC4(F)F)C3)o2)cc1 ZINC000844436057 730717845 /nfs/dbraw/zinc/71/78/45/730717845.db2.gz POTQKSNKKZXXCU-HNNXBMFYSA-N 1 1 350.325 3.266 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@]4(CC4(F)F)C3)o2)cc1 ZINC000844436057 730717847 /nfs/dbraw/zinc/71/78/47/730717847.db2.gz POTQKSNKKZXXCU-HNNXBMFYSA-N 1 1 350.325 3.266 20 5 FGBDMO Cn1ncc(C2CC2)c1C[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000883287977 737547630 /nfs/dbraw/zinc/54/76/30/737547630.db2.gz MMPULEGBAZVVKK-UHFFFAOYSA-N 1 1 365.231 3.258 20 5 FGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@](O)(C3CC3)C2)c1Br ZINC000852501068 731593887 /nfs/dbraw/zinc/59/38/87/731593887.db2.gz HXIQFZOESSPKLX-HNNXBMFYSA-N 1 1 355.232 3.094 20 5 FGBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@](O)(C3CC3)C2)c1Br ZINC000852501068 731593889 /nfs/dbraw/zinc/59/38/89/731593889.db2.gz HXIQFZOESSPKLX-HNNXBMFYSA-N 1 1 355.232 3.094 20 5 FGBDMO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]2CCC[C@H]21 ZINC000859953817 732422260 /nfs/dbraw/zinc/42/22/60/732422260.db2.gz HORAVJIQWXAKAY-GUTXKFCHSA-N 1 1 352.818 3.412 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]2CCC[C@H]21 ZINC000859953817 732422264 /nfs/dbraw/zinc/42/22/64/732422264.db2.gz HORAVJIQWXAKAY-GUTXKFCHSA-N 1 1 352.818 3.412 20 5 FGBDMO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]2CCC[C@H]21 ZINC000859953818 732422524 /nfs/dbraw/zinc/42/25/24/732422524.db2.gz HORAVJIQWXAKAY-GZBFAFLISA-N 1 1 352.818 3.412 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]2CCC[C@H]21 ZINC000859953818 732422527 /nfs/dbraw/zinc/42/25/27/732422527.db2.gz HORAVJIQWXAKAY-GZBFAFLISA-N 1 1 352.818 3.412 20 5 FGBDMO Cn1cc[nH+]c1N1CCC(Nc2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000865722968 733259618 /nfs/dbraw/zinc/25/96/18/733259618.db2.gz SIRUOMXUMHSMDP-UHFFFAOYSA-N 1 1 351.357 3.347 20 5 FGBDMO C[C@@]([NH3+])(C(=O)N1CCc2sc(Cl)cc2C1)c1cccc([N+](=O)[O-])c1 ZINC000867981062 733542096 /nfs/dbraw/zinc/54/20/96/733542096.db2.gz GHEINRXGPBJJAW-INIZCTEOSA-N 1 1 365.842 3.069 20 5 FGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(N(C)C)CCOCC1 ZINC000872036353 735580198 /nfs/dbraw/zinc/58/01/98/735580198.db2.gz UJMUTWIZOFDJPP-ZDUSSCGKSA-N 1 1 353.488 3.078 20 5 FGBDMO C[C@H]([NH2+]Cc1ccc(C[S@@](C)=O)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872071924 735584621 /nfs/dbraw/zinc/58/46/21/735584621.db2.gz ZZOHVGUBRDLHLS-FNODVLLQSA-N 1 1 350.415 3.463 20 5 FGBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1ncc(Cl)s1 ZINC000872114759 735590820 /nfs/dbraw/zinc/59/08/20/735590820.db2.gz BQGXMOKGDOCDOR-SECBINFHSA-N 1 1 354.819 3.212 20 5 FGBDMO COC[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878692318 736908326 /nfs/dbraw/zinc/90/83/26/736908326.db2.gz RQCYAJRPRKNSIZ-LBPRGKRZSA-N 1 1 366.805 3.299 20 5 FGBDMO COC[C@@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878692318 736908327 /nfs/dbraw/zinc/90/83/27/736908327.db2.gz RQCYAJRPRKNSIZ-LBPRGKRZSA-N 1 1 366.805 3.299 20 5 FGBDMO COc1cc(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000886568139 739270170 /nfs/dbraw/zinc/27/01/70/739270170.db2.gz BMIAPJGIBYCNCK-TXEJJXNPSA-N 1 1 374.409 3.042 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)o1 ZINC000886571659 739271006 /nfs/dbraw/zinc/27/10/06/739271006.db2.gz CXBOAJSJCKMJDY-AOOOYVTPSA-N 1 1 366.830 3.093 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)ccc1CNc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000894570045 742300255 /nfs/dbraw/zinc/30/02/55/742300255.db2.gz RSBHQBQKOPHNJR-QGZVFWFLSA-N 1 1 361.829 3.427 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000896519671 742561605 /nfs/dbraw/zinc/56/16/05/742561605.db2.gz XBPXIIGAXDVLGL-ZDUSSCGKSA-N 1 1 370.247 3.023 20 5 FGBDMO NS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000897057946 742637321 /nfs/dbraw/zinc/63/73/21/742637321.db2.gz KMXQWULBRBIRLT-OAHLLOKOSA-N 1 1 354.475 3.103 20 5 FGBDMO COc1cc([C@H](C)[NH2+]Cc2cnc(C(F)(F)F)nc2)cc([N+](=O)[O-])c1 ZINC000903199269 743821822 /nfs/dbraw/zinc/82/18/22/743821822.db2.gz JNWLAOXQJGEQGH-VIFPVBQESA-N 1 1 356.304 3.263 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000906787695 744159527 /nfs/dbraw/zinc/15/95/27/744159527.db2.gz BAZOZNYTRRYYMS-DYVFJYSZSA-N 1 1 367.877 3.370 20 5 FGBDMO Cc1nc(CC2CC[NH+](Cc3cc([N+](=O)[O-])ccc3Cl)CC2)no1 ZINC000932244120 761103262 /nfs/dbraw/zinc/10/32/62/761103262.db2.gz RKASIPGDDUJZFC-UHFFFAOYSA-N 1 1 350.806 3.394 20 5 FGBDMO COC(=O)c1cnc([C@@H]2CC[N@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)s1 ZINC000932660337 761211913 /nfs/dbraw/zinc/21/19/13/761211913.db2.gz PCTHFFLYTXIFMI-WCQYABFASA-N 1 1 361.423 3.388 20 5 FGBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)CCc3c(Cl)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000934890400 761740864 /nfs/dbraw/zinc/74/08/64/761740864.db2.gz MYYVCJWNOPEVNO-CJNGLKHVSA-N 1 1 365.861 3.124 20 5 FGBDMO C[C@H]1C[C@H](c2cccnc2)[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000359883777 210193650 /nfs/dbraw/zinc/19/36/50/210193650.db2.gz XMGUDMYIICSIAA-KBXCAEBGSA-N 1 1 354.410 3.036 20 5 FGBDMO C[C@H]1C[C@H](c2cccnc2)[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000359883777 210193656 /nfs/dbraw/zinc/19/36/56/210193656.db2.gz XMGUDMYIICSIAA-KBXCAEBGSA-N 1 1 354.410 3.036 20 5 FGBDMO C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)C[C@H](C)O1 ZINC000106031188 222380736 /nfs/dbraw/zinc/38/07/36/222380736.db2.gz AFEBBAOMDUPTGY-GJZGRUSLSA-N 1 1 369.421 3.456 20 5 FGBDMO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000106109711 222382160 /nfs/dbraw/zinc/38/21/60/222382160.db2.gz JIEGDUWCEUSTPG-SFHVURJKSA-N 1 1 353.422 3.298 20 5 FGBDMO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000573737930 505608274 /nfs/dbraw/zinc/60/82/74/505608274.db2.gz VBOWJWKCFWCEHF-AWEZNQCLSA-N 1 1 351.450 3.140 20 5 FGBDMO CCOc1cc(C[N@H+]2C[C@H](c3cnn(C)c3)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000579969602 505654450 /nfs/dbraw/zinc/65/44/50/505654450.db2.gz JYSPIRRSBBFNGH-MRXNPFEDSA-N 1 1 358.442 3.353 20 5 FGBDMO CC(C)[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000029174215 493823405 /nfs/dbraw/zinc/82/34/05/493823405.db2.gz QRMDUPUBEMPIJX-FQEVSTJZSA-N 1 1 367.449 3.408 20 5 FGBDMO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC ZINC000003540691 493852172 /nfs/dbraw/zinc/85/21/72/493852172.db2.gz RSHSFHVJSURUMM-ZDUSSCGKSA-N 1 1 373.409 3.071 20 5 FGBDMO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC ZINC000003540691 493852177 /nfs/dbraw/zinc/85/21/77/493852177.db2.gz RSHSFHVJSURUMM-ZDUSSCGKSA-N 1 1 373.409 3.071 20 5 FGBDMO C[C@@H]1C[N@@H+](C(C)(C)CNc2ccc([N+](=O)[O-])c3cccnc23)C[C@H](C)O1 ZINC000029871603 493863691 /nfs/dbraw/zinc/86/36/91/493863691.db2.gz HDCSTDYJTBIFNU-OKILXGFUSA-N 1 1 358.442 3.443 20 5 FGBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058829479 493887660 /nfs/dbraw/zinc/88/76/60/493887660.db2.gz VIBSJUBMHJUUCR-IBGZPJMESA-N 1 1 367.449 3.166 20 5 FGBDMO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC(=O)Nc1cccc(Cl)c1 ZINC000058933259 493895525 /nfs/dbraw/zinc/89/55/25/493895525.db2.gz PHXHJAHNQYAYNC-UHFFFAOYSA-N 1 1 363.801 3.198 20 5 FGBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC(=O)Nc1cccc(Cl)c1 ZINC000058933259 493895529 /nfs/dbraw/zinc/89/55/29/493895529.db2.gz PHXHJAHNQYAYNC-UHFFFAOYSA-N 1 1 363.801 3.198 20 5 FGBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000069045092 493911700 /nfs/dbraw/zinc/91/17/00/493911700.db2.gz WXCVDXUUWULFIM-INIZCTEOSA-N 1 1 374.485 3.045 20 5 FGBDMO CN(C(=O)C[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000076805470 493973786 /nfs/dbraw/zinc/97/37/86/493973786.db2.gz TYJARWWOPFLFPC-INIZCTEOSA-N 1 1 371.412 3.261 20 5 FGBDMO CC[N@H+](Cc1ccc(OC)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000052039558 494001174 /nfs/dbraw/zinc/00/11/74/494001174.db2.gz XXCOFGKGEWJUDP-UHFFFAOYSA-N 1 1 358.394 3.492 20 5 FGBDMO CC[N@@H+](Cc1ccc(OC)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000052039558 494001180 /nfs/dbraw/zinc/00/11/80/494001180.db2.gz XXCOFGKGEWJUDP-UHFFFAOYSA-N 1 1 358.394 3.492 20 5 FGBDMO CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000083169948 494002892 /nfs/dbraw/zinc/00/28/92/494002892.db2.gz CAEDRJOSZAPASM-CYBMUJFWSA-N 1 1 374.441 3.109 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)c1 ZINC000032734227 494010351 /nfs/dbraw/zinc/01/03/51/494010351.db2.gz GAWHPNTUDHFRPU-STQMWFEESA-N 1 1 351.472 3.309 20 5 FGBDMO CCOc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000007419835 494021167 /nfs/dbraw/zinc/02/11/67/494021167.db2.gz RPPHXKAXSONLEZ-CQSZACIVSA-N 1 1 357.410 3.453 20 5 FGBDMO CCOc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000007419835 494021170 /nfs/dbraw/zinc/02/11/70/494021170.db2.gz RPPHXKAXSONLEZ-CQSZACIVSA-N 1 1 357.410 3.453 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000008169802 494073416 /nfs/dbraw/zinc/07/34/16/494073416.db2.gz CUDYWTRQLZWRNJ-CQSZACIVSA-N 1 1 360.458 3.163 20 5 FGBDMO CC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccc(OC)cc1 ZINC000053087383 494091543 /nfs/dbraw/zinc/09/15/43/494091543.db2.gz VHRKOHDDAQMYFQ-UHFFFAOYSA-N 1 1 369.421 3.015 20 5 FGBDMO CC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccc(OC)cc1 ZINC000053087383 494091548 /nfs/dbraw/zinc/09/15/48/494091548.db2.gz VHRKOHDDAQMYFQ-UHFFFAOYSA-N 1 1 369.421 3.015 20 5 FGBDMO C[N@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000053112226 494094743 /nfs/dbraw/zinc/09/47/43/494094743.db2.gz JNXUIHRXHZRBGA-UHFFFAOYSA-N 1 1 367.327 3.345 20 5 FGBDMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000053112226 494094746 /nfs/dbraw/zinc/09/47/46/494094746.db2.gz JNXUIHRXHZRBGA-UHFFFAOYSA-N 1 1 367.327 3.345 20 5 FGBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000039563975 494122970 /nfs/dbraw/zinc/12/29/70/494122970.db2.gz SXCIZRZCOQQFJV-UHFFFAOYSA-N 1 1 353.850 3.441 20 5 FGBDMO Cc1c(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000054226021 494208615 /nfs/dbraw/zinc/20/86/15/494208615.db2.gz LRKWHLLQZDSVGQ-DOTOQJQBSA-N 1 1 353.422 3.469 20 5 FGBDMO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000072761180 494245302 /nfs/dbraw/zinc/24/53/02/494245302.db2.gz OFABTKKVCPOWDS-SFHVURJKSA-N 1 1 355.438 3.455 20 5 FGBDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000072837713 494261260 /nfs/dbraw/zinc/26/12/60/494261260.db2.gz NEUSTOCGFZZDQM-GDBMZVCRSA-N 1 1 363.483 3.090 20 5 FGBDMO CN(CC[C@@H]1CCCC[N@H+]1C)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000078456261 494298654 /nfs/dbraw/zinc/29/86/54/494298654.db2.gz RPFUSONRNZYICQ-INIZCTEOSA-N 1 1 374.485 3.141 20 5 FGBDMO O=[N+]([O-])c1cccc(F)c1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000580248747 505713314 /nfs/dbraw/zinc/71/33/14/505713314.db2.gz RGCNILOIDSUCTK-INIZCTEOSA-N 1 1 360.385 3.404 20 5 FGBDMO C[N@@H+](CCCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])C1CCCCC1 ZINC000089619816 494332309 /nfs/dbraw/zinc/33/23/09/494332309.db2.gz DHEHLNJDCWDEFZ-UHFFFAOYSA-N 1 1 369.487 3.065 20 5 FGBDMO CCOc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000016562565 494394051 /nfs/dbraw/zinc/39/40/51/494394051.db2.gz VPPBNFAKGYKGDZ-CQSZACIVSA-N 1 1 357.410 3.453 20 5 FGBDMO CCOc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000016562565 494394055 /nfs/dbraw/zinc/39/40/55/494394055.db2.gz VPPBNFAKGYKGDZ-CQSZACIVSA-N 1 1 357.410 3.453 20 5 FGBDMO C[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000089997131 494422316 /nfs/dbraw/zinc/42/23/16/494422316.db2.gz OCBREURJTMUBDV-IRXDYDNUSA-N 1 1 359.813 3.423 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000089997131 494422318 /nfs/dbraw/zinc/42/23/18/494422318.db2.gz OCBREURJTMUBDV-IRXDYDNUSA-N 1 1 359.813 3.423 20 5 FGBDMO O=C(C[N@H+]1CCC[C@H]1C1CCOCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000577406211 505721333 /nfs/dbraw/zinc/72/13/33/505721333.db2.gz XXLVISJPABPICL-INIZCTEOSA-N 1 1 367.833 3.078 20 5 FGBDMO CCOc1ccc(C(=O)NCCC[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000045861889 494470209 /nfs/dbraw/zinc/47/02/09/494470209.db2.gz NZQOCVOYCICACR-UHFFFAOYSA-N 1 1 371.437 3.245 20 5 FGBDMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000056356140 494492980 /nfs/dbraw/zinc/49/29/80/494492980.db2.gz IWNHYIIZFFSLER-UHFFFAOYSA-N 1 1 370.409 3.114 20 5 FGBDMO C[N@@H+]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@@H](c2ccccc2)C1 ZINC000056372319 494495014 /nfs/dbraw/zinc/49/50/14/494495014.db2.gz XVSJVSHGNVPVFD-GOSISDBHSA-N 1 1 364.405 3.205 20 5 FGBDMO C[N@H+]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@@H](c2ccccc2)C1 ZINC000056372319 494495017 /nfs/dbraw/zinc/49/50/17/494495017.db2.gz XVSJVSHGNVPVFD-GOSISDBHSA-N 1 1 364.405 3.205 20 5 FGBDMO COc1ccccc1[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000046881731 494578587 /nfs/dbraw/zinc/57/85/87/494578587.db2.gz UESKYDFRSSNCHG-INIZCTEOSA-N 1 1 358.398 3.028 20 5 FGBDMO COc1cc(C[N@H+](C)C[C@@H]2CCCCO2)c([N+](=O)[O-])cc1OC(F)F ZINC000126059330 494621794 /nfs/dbraw/zinc/62/17/94/494621794.db2.gz NIDLNKMGUNXLEF-LBPRGKRZSA-N 1 1 360.357 3.206 20 5 FGBDMO COc1cc(C[N@@H+](C)C[C@@H]2CCCCO2)c([N+](=O)[O-])cc1OC(F)F ZINC000126059330 494621796 /nfs/dbraw/zinc/62/17/96/494621796.db2.gz NIDLNKMGUNXLEF-LBPRGKRZSA-N 1 1 360.357 3.206 20 5 FGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000047119529 494636792 /nfs/dbraw/zinc/63/67/92/494636792.db2.gz PHPXURVRJWUMBS-QLFBSQMISA-N 1 1 365.499 3.312 20 5 FGBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000121215977 494651280 /nfs/dbraw/zinc/65/12/80/494651280.db2.gz SIPAWPWPBAVYJO-SFHVURJKSA-N 1 1 360.458 3.143 20 5 FGBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000121215808 494651518 /nfs/dbraw/zinc/65/15/18/494651518.db2.gz SIPAWPWPBAVYJO-GOSISDBHSA-N 1 1 360.458 3.143 20 5 FGBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000057169130 494663446 /nfs/dbraw/zinc/66/34/46/494663446.db2.gz PQQAPEQQTZMZJH-LJQANCHMSA-N 1 1 367.449 3.465 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000047385573 494695918 /nfs/dbraw/zinc/69/59/18/494695918.db2.gz RGZYYNDTPRRMMD-UHFFFAOYSA-N 1 1 357.757 3.390 20 5 FGBDMO COc1ccc(-c2ccc(C[NH2+][C@@H]3CCN(CC4CC4)C3)o2)c([N+](=O)[O-])c1 ZINC000108424290 494703350 /nfs/dbraw/zinc/70/33/50/494703350.db2.gz HKYZXLRNGZUMPU-OAHLLOKOSA-N 1 1 371.437 3.437 20 5 FGBDMO COc1ccc(-c2ccc(C[N@@H+](C)C[C@@H]3CCC[C@@H]3O)o2)c([N+](=O)[O-])c1 ZINC000091899410 494719337 /nfs/dbraw/zinc/71/93/37/494719337.db2.gz AWBXXASLYFUDBF-UGSOOPFHSA-N 1 1 360.410 3.456 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000025439694 494741243 /nfs/dbraw/zinc/74/12/43/494741243.db2.gz RSMQFULLZUIDPA-MRXNPFEDSA-N 1 1 369.421 3.249 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000025439694 494741249 /nfs/dbraw/zinc/74/12/49/494741249.db2.gz RSMQFULLZUIDPA-MRXNPFEDSA-N 1 1 369.421 3.249 20 5 FGBDMO Cc1cc(C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000025633738 494764037 /nfs/dbraw/zinc/76/40/37/494764037.db2.gz VVABOFAARRLOCK-HNNXBMFYSA-N 1 1 353.422 3.080 20 5 FGBDMO C[N@H+]1CCC[C@H]2CN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@@H]21 ZINC000092043693 494768338 /nfs/dbraw/zinc/76/83/38/494768338.db2.gz PEMFSUWQXAVMLV-WFASDCNBSA-N 1 1 355.385 3.112 20 5 FGBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000108808752 494790001 /nfs/dbraw/zinc/79/00/01/494790001.db2.gz YNSAMELUEZCFPV-HNNXBMFYSA-N 1 1 362.474 3.024 20 5 FGBDMO COc1cccc(C[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000026221992 494811509 /nfs/dbraw/zinc/81/15/09/494811509.db2.gz VAAXNEMRWWJSIV-UHFFFAOYSA-N 1 1 373.409 3.073 20 5 FGBDMO Cc1ccc(OCC[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000026336943 494819400 /nfs/dbraw/zinc/81/94/00/494819400.db2.gz HWXGGBRVLOBTAN-UHFFFAOYSA-N 1 1 357.410 3.243 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+]3CCC[C@@H](CCO)C3)o2)c([N+](=O)[O-])c1 ZINC000093106583 494826424 /nfs/dbraw/zinc/82/64/24/494826424.db2.gz HFUUNHXTLSXVFE-AWEZNQCLSA-N 1 1 360.410 3.458 20 5 FGBDMO COc1ccc2c(c1)C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC2 ZINC000109102769 494832929 /nfs/dbraw/zinc/83/29/29/494832929.db2.gz PDBSKELSDUAWRU-UHFFFAOYSA-N 1 1 369.421 3.299 20 5 FGBDMO CC[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1nc(C)cs1 ZINC000109147107 494838731 /nfs/dbraw/zinc/83/87/31/494838731.db2.gz PQRBKKVNIONWDH-HUUCEWRRSA-N 1 1 360.439 3.206 20 5 FGBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCc2ccccc21 ZINC000026816572 494839589 /nfs/dbraw/zinc/83/95/89/494839589.db2.gz KWQYVQBQAJBZNX-LJQANCHMSA-N 1 1 365.433 3.493 20 5 FGBDMO C[N@H+](Cc1ccc(C(F)(F)F)cc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000027351601 494864212 /nfs/dbraw/zinc/86/42/12/494864212.db2.gz BZQUMJDDROOSCE-UHFFFAOYSA-N 1 1 367.327 3.345 20 5 FGBDMO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000027351601 494864214 /nfs/dbraw/zinc/86/42/14/494864214.db2.gz BZQUMJDDROOSCE-UHFFFAOYSA-N 1 1 367.327 3.345 20 5 FGBDMO CC(C)C[C@@H]1COCC[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000093340017 494874115 /nfs/dbraw/zinc/87/41/15/494874115.db2.gz CXTBGEYNKKSBDR-GOSISDBHSA-N 1 1 358.442 3.242 20 5 FGBDMO CC(C)C[C@@H]1COCC[N@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000093340017 494874119 /nfs/dbraw/zinc/87/41/19/494874119.db2.gz CXTBGEYNKKSBDR-GOSISDBHSA-N 1 1 358.442 3.242 20 5 FGBDMO CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000093360575 494877903 /nfs/dbraw/zinc/87/79/03/494877903.db2.gz QZCNIIKRDVDOHN-CQSZACIVSA-N 1 1 359.451 3.281 20 5 FGBDMO CCOc1cc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1OC ZINC000093534408 494898477 /nfs/dbraw/zinc/89/84/77/494898477.db2.gz JXPOZJSXEJJXJK-OAHLLOKOSA-N 1 1 372.425 3.084 20 5 FGBDMO C[C@H]1C[C@H](N(C)Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000093644068 494906773 /nfs/dbraw/zinc/90/67/73/494906773.db2.gz AIEMDAOJLBYAED-WCQYABFASA-N 1 1 356.264 3.272 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000109783132 494918179 /nfs/dbraw/zinc/91/81/79/494918179.db2.gz SWCOEOCLPQZMHW-ZDUSSCGKSA-N 1 1 373.409 3.331 20 5 FGBDMO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000093898611 494931511 /nfs/dbraw/zinc/93/15/11/494931511.db2.gz RGHHZTDWPTXGEK-NSHDSACASA-N 1 1 365.817 3.322 20 5 FGBDMO O=[N+]([O-])c1cccnc1N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000133768258 495059118 /nfs/dbraw/zinc/05/91/18/495059118.db2.gz DIWGHUIHXVZMDO-MSOLQXFVSA-N 1 1 352.438 3.481 20 5 FGBDMO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000134246676 495126811 /nfs/dbraw/zinc/12/68/11/495126811.db2.gz QKNMETOSFXGYCW-DJJJIMSYSA-N 1 1 370.405 3.285 20 5 FGBDMO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000134246676 495126816 /nfs/dbraw/zinc/12/68/16/495126816.db2.gz QKNMETOSFXGYCW-DJJJIMSYSA-N 1 1 370.405 3.285 20 5 FGBDMO CC(C)CC[N@H+]1Cc2cccc(NC(=O)CCn3cc([N+](=O)[O-])cn3)c2C1 ZINC000102733299 495158095 /nfs/dbraw/zinc/15/80/95/495158095.db2.gz IQVROMVICUXJOR-UHFFFAOYSA-N 1 1 371.441 3.182 20 5 FGBDMO Cc1c(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000119620346 495203030 /nfs/dbraw/zinc/20/30/30/495203030.db2.gz FPZXNTKMMGBOAL-KSSFIOAISA-N 1 1 353.422 3.154 20 5 FGBDMO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000124080330 495230696 /nfs/dbraw/zinc/23/06/96/495230696.db2.gz HKTCDLIMYYNKIJ-OAHLLOKOSA-N 1 1 357.410 3.345 20 5 FGBDMO C[N@@H+]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c2ccccc2C1 ZINC000129612115 495270379 /nfs/dbraw/zinc/27/03/79/495270379.db2.gz WZTSGBWYSBKHEY-UHFFFAOYSA-N 1 1 364.405 3.097 20 5 FGBDMO C[N@H+]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c2ccccc2C1 ZINC000129612115 495270381 /nfs/dbraw/zinc/27/03/81/495270381.db2.gz WZTSGBWYSBKHEY-UHFFFAOYSA-N 1 1 364.405 3.097 20 5 FGBDMO CCc1ccc([C@H]([NH2+]CCN2CCCC2=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000568772402 505774575 /nfs/dbraw/zinc/77/45/75/505774575.db2.gz UBCIIJUUZXZYNE-LJQANCHMSA-N 1 1 357.410 3.052 20 5 FGBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000113901556 495335515 /nfs/dbraw/zinc/33/55/15/495335515.db2.gz WJHWXZNBLICBID-GJZGRUSLSA-N 1 1 363.433 3.461 20 5 FGBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCCC[C@H]2CCCc2ccccc2)c1 ZINC000124967944 495371838 /nfs/dbraw/zinc/37/18/38/495371838.db2.gz XWEQITXAGQAWPZ-ICSRJNTNSA-N 1 1 372.469 3.030 20 5 FGBDMO O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000130353092 495378327 /nfs/dbraw/zinc/37/83/27/495378327.db2.gz IJOXTUYEVHPSPZ-MRXNPFEDSA-N 1 1 357.454 3.134 20 5 FGBDMO COc1ccc(C[N@@H+](CCCO)[C@@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000114469234 495379726 /nfs/dbraw/zinc/37/97/26/495379726.db2.gz ZHBMFIRCPLBZNV-GOSISDBHSA-N 1 1 356.422 3.475 20 5 FGBDMO C[C@@H](C[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1nccs1 ZINC000130398087 495386381 /nfs/dbraw/zinc/38/63/81/495386381.db2.gz RRUCASGXGBPRQC-NSHDSACASA-N 1 1 366.418 3.255 20 5 FGBDMO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000114642972 495402763 /nfs/dbraw/zinc/40/27/63/495402763.db2.gz YCDZMCYBDVZDGT-INIZCTEOSA-N 1 1 357.385 3.128 20 5 FGBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)CC(C)C ZINC000114725319 495416536 /nfs/dbraw/zinc/41/65/36/495416536.db2.gz XNSJQJRVLSMJLJ-UHFFFAOYSA-N 1 1 358.236 3.274 20 5 FGBDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000130624562 495420857 /nfs/dbraw/zinc/42/08/57/495420857.db2.gz CXGQVYGZNQMKJD-KRWDZBQOSA-N 1 1 371.441 3.409 20 5 FGBDMO CCOc1cccc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000130733819 495436812 /nfs/dbraw/zinc/43/68/12/495436812.db2.gz HBEGKPWONFRGFC-UHFFFAOYSA-N 1 1 357.410 3.432 20 5 FGBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000106501681 495459131 /nfs/dbraw/zinc/45/91/31/495459131.db2.gz AGRNQQLMBJOXJO-NSHDSACASA-N 1 1 352.822 3.387 20 5 FGBDMO CC(C)[N@@H+](CCN1C(=O)c2ccccc2C1=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000140807889 495499496 /nfs/dbraw/zinc/49/94/96/495499496.db2.gz CBHIBGBDHTVZSX-UHFFFAOYSA-N 1 1 367.405 3.101 20 5 FGBDMO CCO[C@H]1C[C@@H]([N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C12CCC2 ZINC000121048837 495512229 /nfs/dbraw/zinc/51/22/29/495512229.db2.gz JLKSKUOMLLCJRF-CVEARBPZSA-N 1 1 372.425 3.424 20 5 FGBDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C12CCC2 ZINC000121048837 495512234 /nfs/dbraw/zinc/51/22/34/495512234.db2.gz JLKSKUOMLLCJRF-CVEARBPZSA-N 1 1 372.425 3.424 20 5 FGBDMO C[C@H]1C[C@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000131261884 495514571 /nfs/dbraw/zinc/51/45/71/495514571.db2.gz MXLQALNLJSMKFR-GOEBONIOSA-N 1 1 371.412 3.374 20 5 FGBDMO Cc1cnc([C@@H]([NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C2CC2)s1 ZINC000185346561 495541235 /nfs/dbraw/zinc/54/12/35/495541235.db2.gz FOYGWOZACQZXOQ-ABAIWWIYSA-N 1 1 360.439 3.428 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCOc3ccccc3Cl)C2)nc1 ZINC000173465648 495542452 /nfs/dbraw/zinc/54/24/52/495542452.db2.gz PQPAMSLGJPBMLJ-CYBMUJFWSA-N 1 1 362.817 3.208 20 5 FGBDMO CSc1ccc(OCC[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000173473246 495545868 /nfs/dbraw/zinc/54/58/68/495545868.db2.gz WMKZGQZTBWDHDU-CQSZACIVSA-N 1 1 374.466 3.277 20 5 FGBDMO C[C@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182554402 495611879 /nfs/dbraw/zinc/61/18/79/495611879.db2.gz JGQRZIWMLJQRHJ-RDJZCZTQSA-N 1 1 374.485 3.090 20 5 FGBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H](c4nnc(C5CC5)[nH]4)C3)nc2c1 ZINC000179518734 495626136 /nfs/dbraw/zinc/62/61/36/495626136.db2.gz RPSKUGIEJWNZGG-GFCCVEGCSA-N 1 1 368.397 3.111 20 5 FGBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@H](c4nnc(C5CC5)[nH]4)C3)nc2c1 ZINC000179518734 495626138 /nfs/dbraw/zinc/62/61/38/495626138.db2.gz RPSKUGIEJWNZGG-GFCCVEGCSA-N 1 1 368.397 3.111 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000182721108 495676638 /nfs/dbraw/zinc/67/66/38/495676638.db2.gz NCIDZMTUIYZJNF-CEXWTWQISA-N 1 1 374.529 3.455 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000182769395 495696988 /nfs/dbraw/zinc/69/69/88/495696988.db2.gz GITIRCITMMMAPZ-IEBWSBKVSA-N 1 1 360.502 3.066 20 5 FGBDMO CCS[C@@H]1CC[C@H]([N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000173871585 495727012 /nfs/dbraw/zinc/72/70/12/495727012.db2.gz JPUTWDXIDSEUCI-GOEBONIOSA-N 1 1 363.483 3.090 20 5 FGBDMO CC(C)c1ccc(C[N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)cc1[N+](=O)[O-] ZINC000154827550 495739995 /nfs/dbraw/zinc/73/99/95/495739995.db2.gz LGEUUTWGTCPARM-QGZVFWFLSA-N 1 1 359.470 3.456 20 5 FGBDMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000159536419 495755056 /nfs/dbraw/zinc/75/50/56/495755056.db2.gz AFAQRPWBAJERNF-OCCSQVGLSA-N 1 1 359.451 3.409 20 5 FGBDMO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1nc(Cc2ccccc2)no1 ZINC000173986819 495777611 /nfs/dbraw/zinc/77/76/11/495777611.db2.gz WYEMWGGSVROYCL-AWEZNQCLSA-N 1 1 352.394 3.462 20 5 FGBDMO COc1ccccc1C(C)(C)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000171440192 495874435 /nfs/dbraw/zinc/87/44/35/495874435.db2.gz DTXPOBWVFWJWAD-UHFFFAOYSA-N 1 1 358.394 3.495 20 5 FGBDMO CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174247811 495881332 /nfs/dbraw/zinc/88/13/32/495881332.db2.gz RFWAONNHFLXIME-LSDHHAIUSA-N 1 1 363.458 3.131 20 5 FGBDMO COC(=O)c1oc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1C ZINC000174248622 495881348 /nfs/dbraw/zinc/88/13/48/495881348.db2.gz KSUWZQBVGVWYES-UHFFFAOYSA-N 1 1 374.393 3.326 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000180201372 495903138 /nfs/dbraw/zinc/90/31/38/495903138.db2.gz ZCEBOBYQRAJNDQ-WMZOPIPTSA-N 1 1 371.462 3.492 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCN(C(=O)c2cccs2)CC1 ZINC000183345052 495940551 /nfs/dbraw/zinc/94/05/51/495940551.db2.gz ZMMGOLVBEMCBAE-UHFFFAOYSA-N 1 1 359.451 3.313 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCN(C(=O)c2cccs2)CC1 ZINC000183345052 495940555 /nfs/dbraw/zinc/94/05/55/495940555.db2.gz ZMMGOLVBEMCBAE-UHFFFAOYSA-N 1 1 359.451 3.313 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000155398563 495945750 /nfs/dbraw/zinc/94/57/50/495945750.db2.gz UIWMEBPAXHGMJU-XNRPHZJLSA-N 1 1 358.398 3.207 20 5 FGBDMO C[C@@H]1C[C@@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000183499074 496010470 /nfs/dbraw/zinc/01/04/70/496010470.db2.gz VOPLGXGOHSATHI-ZYHUDNBSSA-N 1 1 369.874 3.082 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1ccc(Cl)nc1 ZINC000174585888 496022373 /nfs/dbraw/zinc/02/23/73/496022373.db2.gz DKRPRVFYVGSRLM-UHFFFAOYSA-N 1 1 362.817 3.412 20 5 FGBDMO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000177595636 496125319 /nfs/dbraw/zinc/12/53/19/496125319.db2.gz QSRKBHFEHJEUBB-OAHLLOKOSA-N 1 1 352.406 3.284 20 5 FGBDMO C[C@@H](c1ccccc1Br)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174835389 496126525 /nfs/dbraw/zinc/12/65/25/496126525.db2.gz NSRKZHPZGSAQCR-NSHDSACASA-N 1 1 353.220 3.247 20 5 FGBDMO C[C@@H](c1ccccc1Br)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174835389 496126531 /nfs/dbraw/zinc/12/65/31/496126531.db2.gz NSRKZHPZGSAQCR-NSHDSACASA-N 1 1 353.220 3.247 20 5 FGBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000174963678 496184327 /nfs/dbraw/zinc/18/43/27/496184327.db2.gz NMXBTQLQNWTWMX-LJQANCHMSA-N 1 1 367.449 3.118 20 5 FGBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)N1CCSc2ccccc21 ZINC000569006160 505828744 /nfs/dbraw/zinc/82/87/44/505828744.db2.gz WSUFRUDKSUCIAO-UHFFFAOYSA-N 1 1 371.462 3.208 20 5 FGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)N1CCSc2ccccc21 ZINC000569006160 505828746 /nfs/dbraw/zinc/82/87/46/505828746.db2.gz WSUFRUDKSUCIAO-UHFFFAOYSA-N 1 1 371.462 3.208 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)c2nccs2)cccc1[N+](=O)[O-] ZINC000184002883 496195628 /nfs/dbraw/zinc/19/56/28/496195628.db2.gz AXIPQVFPAJJXLK-DGCLKSJQSA-N 1 1 362.455 3.422 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)c2nccs2)cccc1[N+](=O)[O-] ZINC000184002883 496195635 /nfs/dbraw/zinc/19/56/35/496195635.db2.gz AXIPQVFPAJJXLK-DGCLKSJQSA-N 1 1 362.455 3.422 20 5 FGBDMO O=C(NC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000175157361 496270835 /nfs/dbraw/zinc/27/08/35/496270835.db2.gz SOYLBQMMBOLVIB-LJQANCHMSA-N 1 1 353.422 3.379 20 5 FGBDMO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000175157361 496270837 /nfs/dbraw/zinc/27/08/37/496270837.db2.gz SOYLBQMMBOLVIB-LJQANCHMSA-N 1 1 353.422 3.379 20 5 FGBDMO Cc1ccccc1C[NH+]1CCN(C(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000184340192 496341347 /nfs/dbraw/zinc/34/13/47/496341347.db2.gz GWWQHDHNMPEGEA-UHFFFAOYSA-N 1 1 353.422 3.170 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000184483651 496405050 /nfs/dbraw/zinc/40/50/50/496405050.db2.gz PYGCIZLFDYBFIM-CQSZACIVSA-N 1 1 350.415 3.157 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000184483651 496405054 /nfs/dbraw/zinc/40/50/54/496405054.db2.gz PYGCIZLFDYBFIM-CQSZACIVSA-N 1 1 350.415 3.157 20 5 FGBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)CCc1ccncc1 ZINC000181485843 496415913 /nfs/dbraw/zinc/41/59/13/496415913.db2.gz CDTCMZSCVRAQSD-GFCCVEGCSA-N 1 1 362.817 3.145 20 5 FGBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)CCc1ccncc1 ZINC000181485843 496415917 /nfs/dbraw/zinc/41/59/17/496415917.db2.gz CDTCMZSCVRAQSD-GFCCVEGCSA-N 1 1 362.817 3.145 20 5 FGBDMO Cc1c(CC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000181497138 496420572 /nfs/dbraw/zinc/42/05/72/496420572.db2.gz YIZOIXUPPLIHHV-NVXWUHKLSA-N 1 1 359.470 3.215 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000178426583 496452972 /nfs/dbraw/zinc/45/29/72/496452972.db2.gz WBBURIJVJSJZNQ-DYVFJYSZSA-N 1 1 374.441 3.084 20 5 FGBDMO Cc1csc([C@@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C2CC2)n1 ZINC000181610204 496469652 /nfs/dbraw/zinc/46/96/52/496469652.db2.gz GMTLXARQGAVNLA-INIZCTEOSA-N 1 1 360.439 3.348 20 5 FGBDMO O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000172913245 496488264 /nfs/dbraw/zinc/48/82/64/496488264.db2.gz IRYMPCJCPBCKCP-UHFFFAOYSA-N 1 1 371.462 3.325 20 5 FGBDMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000153540749 496491017 /nfs/dbraw/zinc/49/10/17/496491017.db2.gz PMRXTSIAUNISRU-QDOAJFGESA-N 1 1 355.438 3.083 20 5 FGBDMO CC[C@@]1(CO)CCC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000187641484 496519003 /nfs/dbraw/zinc/51/90/03/496519003.db2.gz UXDYJTKTTHKJMS-LJQANCHMSA-N 1 1 359.426 3.277 20 5 FGBDMO CC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H](C)c1cccc(O)c1 ZINC000178710507 496548539 /nfs/dbraw/zinc/54/85/39/496548539.db2.gz FNEORXFBOHSPME-AWEZNQCLSA-N 1 1 369.421 3.273 20 5 FGBDMO CC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H](C)c1cccc(O)c1 ZINC000178710507 496548543 /nfs/dbraw/zinc/54/85/43/496548543.db2.gz FNEORXFBOHSPME-AWEZNQCLSA-N 1 1 369.421 3.273 20 5 FGBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CC)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000184829976 496549427 /nfs/dbraw/zinc/54/94/27/496549427.db2.gz ZWPGCTXWMPVOQI-ROUUACIJSA-N 1 1 361.486 3.354 20 5 FGBDMO Cc1ccc(N2CCC(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)[nH+]c1 ZINC000157772998 496550794 /nfs/dbraw/zinc/55/07/94/496550794.db2.gz WOQMIWWULQRQCI-WEVVVXLNSA-N 1 1 366.421 3.097 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000178728171 496551972 /nfs/dbraw/zinc/55/19/72/496551972.db2.gz HNYNJQKKJCBSJM-OAHLLOKOSA-N 1 1 373.453 3.395 20 5 FGBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000153791271 496581807 /nfs/dbraw/zinc/58/18/07/496581807.db2.gz HYFGGNSFSWQUHJ-UHFFFAOYSA-N 1 1 370.331 3.281 20 5 FGBDMO O=C(C[C@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000178872089 496600049 /nfs/dbraw/zinc/60/00/49/496600049.db2.gz ZVFNWZCLIKORPR-PBHICJAKSA-N 1 1 360.435 3.427 20 5 FGBDMO C[N@@H+](Cc1nc2ccccc2s1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182198691 496704602 /nfs/dbraw/zinc/70/46/02/496704602.db2.gz CMCCCASAKBBMFX-ZDUSSCGKSA-N 1 1 373.434 3.076 20 5 FGBDMO C[N@H+](Cc1nc2ccccc2s1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182198691 496704606 /nfs/dbraw/zinc/70/46/06/496704606.db2.gz CMCCCASAKBBMFX-ZDUSSCGKSA-N 1 1 373.434 3.076 20 5 FGBDMO COCC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000273250988 496753383 /nfs/dbraw/zinc/75/33/83/496753383.db2.gz JEKYKGQMXIIFIH-AWEZNQCLSA-N 1 1 367.789 3.147 20 5 FGBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000247081309 496773504 /nfs/dbraw/zinc/77/35/04/496773504.db2.gz PFGOXKSINPYZJG-CVEARBPZSA-N 1 1 362.474 3.338 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000268984226 496842603 /nfs/dbraw/zinc/84/26/03/496842603.db2.gz LCSVBLUNPGJLMB-FUHWJXTLSA-N 1 1 368.437 3.050 20 5 FGBDMO CC(C)C[C@]1(CO)CCC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000191656118 496847924 /nfs/dbraw/zinc/84/79/24/496847924.db2.gz XGBQGACJXJPQPL-SFHVURJKSA-N 1 1 360.414 3.018 20 5 FGBDMO C[C@@H](c1ccccc1Cl)[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000247481855 496868839 /nfs/dbraw/zinc/86/88/39/496868839.db2.gz KDFUUJHGSDESNB-WFASDCNBSA-N 1 1 364.833 3.031 20 5 FGBDMO O=c1cc(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)c2c(ccc3ccccc32)o1 ZINC000247490916 496871234 /nfs/dbraw/zinc/87/12/34/496871234.db2.gz WWGKYFUKECJCDD-QUCCMNQESA-N 1 1 365.429 3.326 20 5 FGBDMO O=c1cc(C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)c2c(ccc3ccccc32)o1 ZINC000247490916 496871240 /nfs/dbraw/zinc/87/12/40/496871240.db2.gz WWGKYFUKECJCDD-QUCCMNQESA-N 1 1 365.429 3.326 20 5 FGBDMO C[N@H+]1CCC[C@H](CNC(=O)c2ccccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000247517352 496879038 /nfs/dbraw/zinc/87/90/38/496879038.db2.gz WEIWKOAFSASIJE-DYVFJYSZSA-N 1 1 359.451 3.469 20 5 FGBDMO Cc1cccc([C@@H]2CCCCC[N@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000247558031 496888794 /nfs/dbraw/zinc/88/87/94/496888794.db2.gz QMRFGSGJQAKTAC-MOPGFXCFSA-N 1 1 358.442 3.078 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](c3nccs3)C2)c2c(c1)COCO2 ZINC000195353759 496899507 /nfs/dbraw/zinc/89/95/07/496899507.db2.gz MYUKOVAIRWUDNR-GFCCVEGCSA-N 1 1 361.423 3.297 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000580950067 505875506 /nfs/dbraw/zinc/87/55/06/505875506.db2.gz GRPWPPGUQVEFOX-INIZCTEOSA-N 1 1 354.410 3.116 20 5 FGBDMO Cc1cc(NC(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000195663541 496959270 /nfs/dbraw/zinc/95/92/70/496959270.db2.gz VVYCPZKPGMDCFU-HNNXBMFYSA-N 1 1 368.437 3.472 20 5 FGBDMO CC(C)[C@@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000248272254 496977163 /nfs/dbraw/zinc/97/71/63/496977163.db2.gz QNPVTSVBPAORLH-OAHLLOKOSA-N 1 1 361.364 3.382 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000248410557 497000760 /nfs/dbraw/zinc/00/07/60/497000760.db2.gz YDKBCISGVIBOME-HUUCEWRRSA-N 1 1 361.446 3.108 20 5 FGBDMO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000248460215 497019208 /nfs/dbraw/zinc/01/92/08/497019208.db2.gz OGPNDBJHVSNEIR-CKEIUWERSA-N 1 1 352.456 3.022 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCc3cc(Cl)ccc3C2)c1 ZINC000192245415 497047221 /nfs/dbraw/zinc/04/72/21/497047221.db2.gz MMTRXNRQVAZIJG-QGZVFWFLSA-N 1 1 362.813 3.046 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCc3cc(Cl)ccc3C2)c1 ZINC000192245415 497047225 /nfs/dbraw/zinc/04/72/25/497047225.db2.gz MMTRXNRQVAZIJG-QGZVFWFLSA-N 1 1 362.813 3.046 20 5 FGBDMO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)CC2 ZINC000248588547 497049691 /nfs/dbraw/zinc/04/96/91/497049691.db2.gz QRNKNPMINLHPNY-FMKPAKJESA-N 1 1 363.433 3.311 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248915324 497134428 /nfs/dbraw/zinc/13/44/28/497134428.db2.gz WAFPEHRZJSZQLU-AOIWGVFYSA-N 1 1 359.470 3.106 20 5 FGBDMO CCO[C@@H]1C[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1OC ZINC000274885073 497190631 /nfs/dbraw/zinc/19/06/31/497190631.db2.gz CDEPSCCJIWWXGS-OAGGEKHMSA-N 1 1 363.439 3.000 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000237204494 497204242 /nfs/dbraw/zinc/20/42/42/497204242.db2.gz XUQUIPKDQGDTBQ-SFHVURJKSA-N 1 1 355.438 3.358 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000237204494 497204244 /nfs/dbraw/zinc/20/42/44/497204244.db2.gz XUQUIPKDQGDTBQ-SFHVURJKSA-N 1 1 355.438 3.358 20 5 FGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249590761 497226403 /nfs/dbraw/zinc/22/64/03/497226403.db2.gz VIKZSTKIHPUUGT-UWJYYQICSA-N 1 1 369.465 3.225 20 5 FGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000249590761 497226411 /nfs/dbraw/zinc/22/64/11/497226411.db2.gz VIKZSTKIHPUUGT-UWJYYQICSA-N 1 1 369.465 3.225 20 5 FGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000249590761 497226416 /nfs/dbraw/zinc/22/64/16/497226416.db2.gz VIKZSTKIHPUUGT-UWJYYQICSA-N 1 1 369.465 3.225 20 5 FGBDMO CCOCc1ccccc1CNC(=O)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271727409 497429817 /nfs/dbraw/zinc/42/98/17/497429817.db2.gz MHSMDHLBHDPWDX-HNNXBMFYSA-N 1 1 371.437 3.098 20 5 FGBDMO Cc1c(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000193788765 497481930 /nfs/dbraw/zinc/48/19/30/497481930.db2.gz YYXYNJJPPDMJFM-KRWDZBQOSA-N 1 1 353.422 3.155 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000267381291 497539033 /nfs/dbraw/zinc/53/90/33/497539033.db2.gz GYBVAPRDPMIZEZ-JXFKEZNVSA-N 1 1 367.449 3.164 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000267455243 497557405 /nfs/dbraw/zinc/55/74/05/497557405.db2.gz QDJJNBWWNZJMFA-JXFKEZNVSA-N 1 1 367.449 3.164 20 5 FGBDMO CC(C)(C)OC(=O)CCCC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000581123892 505915025 /nfs/dbraw/zinc/91/50/25/505915025.db2.gz PCYORLBPWIMYHC-UHFFFAOYSA-N 1 1 350.415 3.301 20 5 FGBDMO CC(C)(C)OC(=O)CCCC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000581123892 505915028 /nfs/dbraw/zinc/91/50/28/505915028.db2.gz PCYORLBPWIMYHC-UHFFFAOYSA-N 1 1 350.415 3.301 20 5 FGBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000246085404 497615791 /nfs/dbraw/zinc/61/57/91/497615791.db2.gz HLSIRCDATHLEEB-NHYWBVRUSA-N 1 1 371.359 3.170 20 5 FGBDMO C[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000246121627 497628457 /nfs/dbraw/zinc/62/84/57/497628457.db2.gz AUMUKCYEEHJTOW-NWDGAFQWSA-N 1 1 373.375 3.464 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000246273446 497679579 /nfs/dbraw/zinc/67/95/79/497679579.db2.gz BFJRDGFNIARODS-ZIAGYGMSSA-N 1 1 351.472 3.383 20 5 FGBDMO C[N@H+]1CC[C@H]2CCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)[C@@H]2C1 ZINC000272677373 497698600 /nfs/dbraw/zinc/69/86/00/497698600.db2.gz UVWYBUXINWQCEM-SUMWQHHRSA-N 1 1 358.467 3.244 20 5 FGBDMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000268378795 497737237 /nfs/dbraw/zinc/73/72/37/497737237.db2.gz NOXXPFHVDDBXGL-GXFFZTMASA-N 1 1 359.348 3.072 20 5 FGBDMO C[N@H+]1CCC[C@@H]2CN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@H]21 ZINC000246490767 497752426 /nfs/dbraw/zinc/75/24/26/497752426.db2.gz PEMFSUWQXAVMLV-IUODEOHRSA-N 1 1 355.385 3.112 20 5 FGBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000246505593 497757944 /nfs/dbraw/zinc/75/79/44/497757944.db2.gz GACUJTOHYROHDJ-ZWNOBZJWSA-N 1 1 359.348 3.026 20 5 FGBDMO Cc1c(CC(=O)Nc2nc3c(s2)C[N@H+](C(C)C)CC3)cccc1[N+](=O)[O-] ZINC000272976687 497776672 /nfs/dbraw/zinc/77/66/72/497776672.db2.gz CILLJLGBAVOJKK-UHFFFAOYSA-N 1 1 374.466 3.307 20 5 FGBDMO Cc1c(CC(=O)Nc2nc3c(s2)C[N@@H+](C(C)C)CC3)cccc1[N+](=O)[O-] ZINC000272976687 497776678 /nfs/dbraw/zinc/77/66/78/497776678.db2.gz CILLJLGBAVOJKK-UHFFFAOYSA-N 1 1 374.466 3.307 20 5 FGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000295903153 497848222 /nfs/dbraw/zinc/84/82/22/497848222.db2.gz DFNYCMVBSBEAPL-WFASDCNBSA-N 1 1 360.414 3.189 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)c([N+](=O)[O-])cc1OC(F)F ZINC000284876936 497929513 /nfs/dbraw/zinc/92/95/13/497929513.db2.gz SVJLXLGVFRNYKR-GXTWGEPZSA-N 1 1 372.368 3.348 20 5 FGBDMO Cc1ccc([C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280875774 497932099 /nfs/dbraw/zinc/93/20/99/497932099.db2.gz OSHOQOSZJKNBPO-RDTXWAMCSA-N 1 1 362.451 3.167 20 5 FGBDMO Cc1c[nH+]cn1C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000364401538 497940315 /nfs/dbraw/zinc/94/03/15/497940315.db2.gz TWUMBDGZPBJJSM-UHFFFAOYSA-N 1 1 362.817 3.159 20 5 FGBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@H+](C2CCC2)C1 ZINC000292302844 497960744 /nfs/dbraw/zinc/96/07/44/497960744.db2.gz ICCZDYUYDKGPPN-AWEZNQCLSA-N 1 1 368.437 3.089 20 5 FGBDMO CCc1[nH+]ccn1C[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000581321235 505960281 /nfs/dbraw/zinc/96/02/81/505960281.db2.gz CICHZVJUJKYZPP-AWEZNQCLSA-N 1 1 359.430 3.205 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CSC)C1 ZINC000292430588 498012222 /nfs/dbraw/zinc/01/22/22/498012222.db2.gz NOBIQANVQDXERU-OLZOCXBDSA-N 1 1 367.471 3.005 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CSC)C1 ZINC000292430588 498012230 /nfs/dbraw/zinc/01/22/30/498012230.db2.gz NOBIQANVQDXERU-OLZOCXBDSA-N 1 1 367.471 3.005 20 5 FGBDMO COc1cc(N2CC[NH+](C/C=C/c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000301346039 498067201 /nfs/dbraw/zinc/06/72/01/498067201.db2.gz IACSVXWFDCVUNA-VMPITWQZSA-N 1 1 353.422 3.439 20 5 FGBDMO C[C@@H](CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)[N@H+]1CCC[C@@H](C)C1 ZINC000301366058 498076619 /nfs/dbraw/zinc/07/66/19/498076619.db2.gz NPEOOPWNHNGFPF-KGLIPLIRSA-N 1 1 362.430 3.084 20 5 FGBDMO COc1cc(F)c([N+](=O)[O-])c(NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000301453109 498116926 /nfs/dbraw/zinc/11/69/26/498116926.db2.gz VBHYFGYLDXJJIV-VXGBXAGGSA-N 1 1 355.410 3.042 20 5 FGBDMO CCc1nccc([C@@H]2CCC[N@@H+](Cc3ccc(OC)c([N+](=O)[O-])c3)C2)n1 ZINC000364759852 498130758 /nfs/dbraw/zinc/13/07/58/498130758.db2.gz OCKGMPXJVOQVLE-OAHLLOKOSA-N 1 1 356.426 3.335 20 5 FGBDMO Cc1cccc(N2CCC(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])CC2)[nH+]1 ZINC000364771492 498135891 /nfs/dbraw/zinc/13/58/91/498135891.db2.gz OCLNJLHRHSNFIH-MDZDMXLPSA-N 1 1 366.421 3.097 20 5 FGBDMO CC[N@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000301507208 498140491 /nfs/dbraw/zinc/14/04/91/498140491.db2.gz ABOQTWSFADMECT-INIZCTEOSA-N 1 1 360.458 3.117 20 5 FGBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(-c3cc[nH]n3)cc2)c([N+](=O)[O-])c1 ZINC000364841701 498168914 /nfs/dbraw/zinc/16/89/14/498168914.db2.gz BICOQYXDJHXNMQ-UHFFFAOYSA-N 1 1 353.338 3.183 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000296743568 498178770 /nfs/dbraw/zinc/17/87/70/498178770.db2.gz PAKMVTIXKSBCSX-UONOGXRCSA-N 1 1 371.441 3.122 20 5 FGBDMO CCN1CC[NH+](Cc2ccccc2CNc2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000301616880 498189435 /nfs/dbraw/zinc/18/94/35/498189435.db2.gz CCSGEGCPPMOYBD-UHFFFAOYSA-N 1 1 369.469 3.048 20 5 FGBDMO C[C@]12CCC[N@@H+]1C[C@@H](c1noc(/C=C/c3ccccc3[N+](=O)[O-])n1)OC2 ZINC000578698090 505999241 /nfs/dbraw/zinc/99/92/41/505999241.db2.gz FGHDTVXYJGQYAE-BUSQMGNYSA-N 1 1 356.382 3.074 20 5 FGBDMO C[C@]12CCC[N@H+]1C[C@@H](c1noc(/C=C/c3ccccc3[N+](=O)[O-])n1)OC2 ZINC000578698090 505999242 /nfs/dbraw/zinc/99/92/42/505999242.db2.gz FGHDTVXYJGQYAE-BUSQMGNYSA-N 1 1 356.382 3.074 20 5 FGBDMO C[C@@H]1C[N@H+](CCCCNc2ccc([N+](=O)[O-])c3cccnc23)C[C@H](C)O1 ZINC000301712940 498235438 /nfs/dbraw/zinc/23/54/38/498235438.db2.gz INLSBPXPRSRUCW-GASCZTMLSA-N 1 1 358.442 3.444 20 5 FGBDMO O=C([C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1)N1CCCC1 ZINC000289667735 498238372 /nfs/dbraw/zinc/23/83/72/498238372.db2.gz GYPJUWIATKWDHV-NSHDSACASA-N 1 1 372.252 3.346 20 5 FGBDMO O=C([C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1)N1CCCC1 ZINC000289667735 498238378 /nfs/dbraw/zinc/23/83/78/498238378.db2.gz GYPJUWIATKWDHV-NSHDSACASA-N 1 1 372.252 3.346 20 5 FGBDMO Cc1ccnc([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)c1 ZINC000581496920 506001768 /nfs/dbraw/zinc/00/17/68/506001768.db2.gz FSMQLWWCDFZKOI-HUUCEWRRSA-N 1 1 354.410 3.115 20 5 FGBDMO Cc1ccnc([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)c1 ZINC000581496920 506001773 /nfs/dbraw/zinc/00/17/73/506001773.db2.gz FSMQLWWCDFZKOI-HUUCEWRRSA-N 1 1 354.410 3.115 20 5 FGBDMO C[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CCCC1 ZINC000293024218 498239798 /nfs/dbraw/zinc/23/97/98/498239798.db2.gz IIHVBOHFAXAVRF-UHFFFAOYSA-N 1 1 359.348 3.218 20 5 FGBDMO C[N@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])cc3Br)CC[C@@H]21 ZINC000301730500 498241803 /nfs/dbraw/zinc/24/18/03/498241803.db2.gz XECALJUEAXIOLJ-FZMZJTMJSA-N 1 1 354.248 3.278 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc([C@H]3C[N@@H+](C4CCCCC4)CCO3)no2)cc1 ZINC000360445744 498276275 /nfs/dbraw/zinc/27/62/75/498276275.db2.gz IDZUHKAVNBYUKG-MRXNPFEDSA-N 1 1 358.398 3.351 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc([C@H]3C[N@H+](C4CCCCC4)CCO3)no2)cc1 ZINC000360445744 498276279 /nfs/dbraw/zinc/27/62/79/498276279.db2.gz IDZUHKAVNBYUKG-MRXNPFEDSA-N 1 1 358.398 3.351 20 5 FGBDMO C[N@H+]1CCC[C@@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)[C@H]1c1cccs1 ZINC000301893500 498315283 /nfs/dbraw/zinc/31/52/83/498315283.db2.gz APJLBQXIGKUCKD-SJCJKPOMSA-N 1 1 372.454 3.194 20 5 FGBDMO COc1cccc([C@@H]2[C@@H](Nc3ncccc3[N+](=O)[O-])CC[N@H+]2C2CC2)c1 ZINC000302023656 498372956 /nfs/dbraw/zinc/37/29/56/498372956.db2.gz GAOFQCVUTHJQPS-FUHWJXTLSA-N 1 1 354.410 3.388 20 5 FGBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000578808546 506025063 /nfs/dbraw/zinc/02/50/63/506025063.db2.gz IXUFFYISMSPLBP-UONOGXRCSA-N 1 1 353.488 3.312 20 5 FGBDMO Cc1ccc(CNc2nc3sccn3c2[N+](=O)[O-])c(N2CCCC2)[nH+]1 ZINC000302072250 498397164 /nfs/dbraw/zinc/39/71/64/498397164.db2.gz ZENAZTHVEFVDBS-UHFFFAOYSA-N 1 1 358.427 3.220 20 5 FGBDMO CCOc1cccc(NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000302085589 498399731 /nfs/dbraw/zinc/39/97/31/498399731.db2.gz DVWYNHNAFWISAG-ZIAGYGMSSA-N 1 1 351.447 3.293 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1nc2sccn2c1[N+](=O)[O-] ZINC000302160693 498422397 /nfs/dbraw/zinc/42/23/97/498422397.db2.gz GXVLVAKBPQIMDI-TZMCWYRMSA-N 1 1 357.439 3.236 20 5 FGBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000302175910 498429365 /nfs/dbraw/zinc/42/93/65/498429365.db2.gz OJZRCDCXSCSFAJ-DOTOQJQBSA-N 1 1 370.453 3.345 20 5 FGBDMO Cc1nn(C)c(N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC000302202272 498440605 /nfs/dbraw/zinc/44/06/05/498440605.db2.gz ZRNDEQCIEQWEES-RCCFBDPRSA-N 1 1 369.469 3.349 20 5 FGBDMO CCC[N@@H+](CC)C[C@@H](C)N[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000290183156 498455265 /nfs/dbraw/zinc/45/52/65/498455265.db2.gz NSGIWATYQWREQF-CRAIPNDOSA-N 1 1 359.474 3.128 20 5 FGBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC[N@H+](C2CCC2)C1 ZINC000293712884 498465190 /nfs/dbraw/zinc/46/51/90/498465190.db2.gz OMVLUOAASBDHFB-LBPRGKRZSA-N 1 1 351.834 3.195 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC000332128693 498571472 /nfs/dbraw/zinc/57/14/72/498571472.db2.gz NQSIUTHHBQPOFK-OAHLLOKOSA-N 1 1 367.396 3.178 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC000298019322 498640029 /nfs/dbraw/zinc/64/00/29/498640029.db2.gz RFYJABDCDOHGPE-KXBFYZLASA-N 1 1 360.458 3.092 20 5 FGBDMO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)cc1[N+](=O)[O-] ZINC000363132277 498665909 /nfs/dbraw/zinc/66/59/09/498665909.db2.gz ZMDAPHRIMFJMMC-QAPCUYQASA-N 1 1 368.437 3.140 20 5 FGBDMO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)cc1[N+](=O)[O-] ZINC000363132277 498665914 /nfs/dbraw/zinc/66/59/14/498665914.db2.gz ZMDAPHRIMFJMMC-QAPCUYQASA-N 1 1 368.437 3.140 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)cc1[N+](=O)[O-] ZINC000363132276 498666516 /nfs/dbraw/zinc/66/65/16/498666516.db2.gz ZMDAPHRIMFJMMC-MAUKXSAKSA-N 1 1 368.437 3.140 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)cc1[N+](=O)[O-] ZINC000363132276 498666520 /nfs/dbraw/zinc/66/65/20/498666520.db2.gz ZMDAPHRIMFJMMC-MAUKXSAKSA-N 1 1 368.437 3.140 20 5 FGBDMO C[C@@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312597029 498760359 /nfs/dbraw/zinc/76/03/59/498760359.db2.gz XRHVIQKQUQTILM-PBHICJAKSA-N 1 1 368.437 3.016 20 5 FGBDMO C[C@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312597031 498760718 /nfs/dbraw/zinc/76/07/18/498760718.db2.gz XRHVIQKQUQTILM-WMLDXEAASA-N 1 1 368.437 3.016 20 5 FGBDMO CC(C)(C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1)C(N)=O ZINC000294819866 498815575 /nfs/dbraw/zinc/81/55/75/498815575.db2.gz OTBYSPYYYZSNIP-GFCCVEGCSA-N 1 1 353.850 3.362 20 5 FGBDMO C[C@@H](CO)[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CCCC1 ZINC000287810304 498870277 /nfs/dbraw/zinc/87/02/77/498870277.db2.gz PBBLAKCNLJHSCO-AWEZNQCLSA-N 1 1 359.426 3.418 20 5 FGBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@H]2[C@@H]1c1ccccc1 ZINC000363562075 498879260 /nfs/dbraw/zinc/87/92/60/498879260.db2.gz IFCAEJIQZKMZFI-BJZITVGISA-N 1 1 369.396 3.109 20 5 FGBDMO C[N@@H+](CCCc1cc(-c2ccc(F)cc2)no1)CCn1ccc([N+](=O)[O-])n1 ZINC000363594212 498895442 /nfs/dbraw/zinc/89/54/42/498895442.db2.gz XQIOKUYMBAFLEW-UHFFFAOYSA-N 1 1 373.388 3.150 20 5 FGBDMO CC(C)(CCC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)[N+](=O)[O-] ZINC000295076945 498901312 /nfs/dbraw/zinc/90/13/12/498901312.db2.gz WLSPZQDYVVIBKZ-RTBURBONSA-N 1 1 373.497 3.335 20 5 FGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+](Cc2ccc(F)cc2)C2CCOCC2)c1 ZINC000287960644 498913245 /nfs/dbraw/zinc/91/32/45/498913245.db2.gz YRHJGYWVNQRFBC-FQEVSTJZSA-N 1 1 374.412 3.449 20 5 FGBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291377351 498917210 /nfs/dbraw/zinc/91/72/10/498917210.db2.gz BMHSESOUZMWENJ-QWHCGFSZSA-N 1 1 358.225 3.258 20 5 FGBDMO CO[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000363669071 498934799 /nfs/dbraw/zinc/93/47/99/498934799.db2.gz BETDCCANXNDFMY-WCQYABFASA-N 1 1 355.822 3.076 20 5 FGBDMO CO[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000363669071 498934803 /nfs/dbraw/zinc/93/48/03/498934803.db2.gz BETDCCANXNDFMY-WCQYABFASA-N 1 1 355.822 3.076 20 5 FGBDMO O=[N+]([O-])c1ccc(CCN2CC[NH+](C/C=C\c3ccccc3)CC2)cc1 ZINC000573147663 506129102 /nfs/dbraw/zinc/12/91/02/506129102.db2.gz IEUVBLFNWBHCST-DAXSKMNVSA-N 1 1 351.450 3.468 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@@H](C)C1 ZINC000284197316 499067141 /nfs/dbraw/zinc/06/71/41/499067141.db2.gz YQHHGAZPRUQBTO-WCQYABFASA-N 1 1 354.838 3.442 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000363961723 499068351 /nfs/dbraw/zinc/06/83/51/499068351.db2.gz JBZFNIVKGQMXJM-FUHWJXTLSA-N 1 1 358.442 3.197 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000284381303 499098170 /nfs/dbraw/zinc/09/81/70/499098170.db2.gz LZURHENTUGNHIH-HNNXBMFYSA-N 1 1 363.458 3.091 20 5 FGBDMO Cc1c(NC(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)c(F)ccc1[N+](=O)[O-] ZINC000367093614 499147540 /nfs/dbraw/zinc/14/75/40/499147540.db2.gz UJKAFBWRHKSUIK-LSDHHAIUSA-N 1 1 350.394 3.133 20 5 FGBDMO Cc1nc(CN(C)[C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3C)CC2)no1 ZINC000372571910 499147783 /nfs/dbraw/zinc/14/77/83/499147783.db2.gz IITTZOVYIMZGGA-KRWDZBQOSA-N 1 1 373.457 3.081 20 5 FGBDMO C[N@@H+](C[C@H]1CC12CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1)CC2)C1CC1 ZINC000367308209 499177671 /nfs/dbraw/zinc/17/76/71/499177671.db2.gz BPOAEBOHOGEDNT-CQSZACIVSA-N 1 1 358.442 3.323 20 5 FGBDMO CC(=O)c1ccc([N+](=O)[O-])cc1NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000367450320 499200258 /nfs/dbraw/zinc/20/02/58/499200258.db2.gz IKCYALWMDCJSNS-UHFFFAOYSA-N 1 1 351.366 3.299 20 5 FGBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C1CCN(c2cccnn2)CC1 ZINC000370435079 499220500 /nfs/dbraw/zinc/22/05/00/499220500.db2.gz ZRVZKBIWZFEBPB-UHFFFAOYSA-N 1 1 361.833 3.139 20 5 FGBDMO COc1ccc(C(=O)N2CCC[C@H](n3cc[nH+]c3C(C)C)C2)cc1[N+](=O)[O-] ZINC000370875354 499265553 /nfs/dbraw/zinc/26/55/53/499265553.db2.gz FKHQZFWDOVMSIT-HNNXBMFYSA-N 1 1 372.425 3.401 20 5 FGBDMO CC(=O)c1cc(N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC000368547148 499306446 /nfs/dbraw/zinc/30/64/46/499306446.db2.gz ZYYINUMCBXDAGU-JXFKEZNVSA-N 1 1 368.437 3.322 20 5 FGBDMO C[N@@H+](C[C@H]1CC12CCN(C(=O)c1cc(F)ccc1[N+](=O)[O-])CC2)C1CC1 ZINC000371316396 499309318 /nfs/dbraw/zinc/30/93/18/499309318.db2.gz DONGRUTTZVJUMN-CYBMUJFWSA-N 1 1 361.417 3.070 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)ccc1Br ZINC000371331323 499311077 /nfs/dbraw/zinc/31/10/77/499311077.db2.gz GSJIYXKJXZFXCS-QWHCGFSZSA-N 1 1 355.232 3.216 20 5 FGBDMO COc1cc2c(cc1OC)[C@@H](C)[N@H+](Cc1c([N+](=O)[O-])ncn1C)C[C@H](C)C2 ZINC000371359842 499315029 /nfs/dbraw/zinc/31/50/29/499315029.db2.gz MFRQECUWCHLGCX-CHWSQXEVSA-N 1 1 374.441 3.101 20 5 FGBDMO COc1cc2c(cc1OC)[C@@H](C)[N@@H+](Cc1c([N+](=O)[O-])ncn1C)C[C@H](C)C2 ZINC000371359842 499315030 /nfs/dbraw/zinc/31/50/30/499315030.db2.gz MFRQECUWCHLGCX-CHWSQXEVSA-N 1 1 374.441 3.101 20 5 FGBDMO Cc1c([C@@H]2CCC[N@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cnn1C ZINC000371377533 499317142 /nfs/dbraw/zinc/31/71/42/499317142.db2.gz DBAHYROFSFLOQG-SFHVURJKSA-N 1 1 371.441 3.111 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@@H](C[C@@H]4CCOC4)C3)o2)cc1 ZINC000373143923 499453635 /nfs/dbraw/zinc/45/36/35/499453635.db2.gz YOOYJZMPBUDHBF-GJZGRUSLSA-N 1 1 372.425 3.283 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(c2noc(C3CC3)n2)CC1 ZINC000373766910 499486939 /nfs/dbraw/zinc/48/69/39/499486939.db2.gz ATKAGOCMQMQAIC-UHFFFAOYSA-N 1 1 358.398 3.243 20 5 FGBDMO C[C@H]1[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCC12CCOCC2 ZINC000375243937 499498502 /nfs/dbraw/zinc/49/85/02/499498502.db2.gz BYLBIHUZXGZVKO-CYBMUJFWSA-N 1 1 358.398 3.036 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCC[C@H](c4nnc[nH]4)C3)cs2)c1 ZINC000378348124 499504458 /nfs/dbraw/zinc/50/44/58/499504458.db2.gz XDOSAJKTWUPLTB-ZDUSSCGKSA-N 1 1 370.438 3.216 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCC[C@H](c4nnc[nH]4)C3)cs2)c1 ZINC000378348124 499504460 /nfs/dbraw/zinc/50/44/60/499504460.db2.gz XDOSAJKTWUPLTB-ZDUSSCGKSA-N 1 1 370.438 3.216 20 5 FGBDMO Cc1cc(C(=O)Nc2cccc3c2C[N@H+](C2CC2)C3)c(N)c([N+](=O)[O-])c1 ZINC000378527309 499528566 /nfs/dbraw/zinc/52/85/66/499528566.db2.gz UURBIWIZFINYFR-UHFFFAOYSA-N 1 1 352.394 3.216 20 5 FGBDMO Cc1cccc(N2CCC(Nc3ncnc4sc([N+](=O)[O-])cc43)CC2)[nH+]1 ZINC000376223374 499592403 /nfs/dbraw/zinc/59/24/03/499592403.db2.gz WORJTRPHDLQBAX-UHFFFAOYSA-N 1 1 370.438 3.384 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000376402962 499606015 /nfs/dbraw/zinc/60/60/15/499606015.db2.gz LISCFBDYIBVGBR-NTQSIJHJSA-N 1 1 363.483 3.159 20 5 FGBDMO CCOc1ccc2c(c1)CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000410029221 499637186 /nfs/dbraw/zinc/63/71/86/499637186.db2.gz YDGIZPJGGGRYSW-UHFFFAOYSA-N 1 1 369.421 3.380 20 5 FGBDMO O=[N+]([O-])c1cnc(N2CCC[C@@H]2[C@H]2CCC[N@H+]2Cc2ccccc2)nc1 ZINC000376922879 499646523 /nfs/dbraw/zinc/64/65/23/499646523.db2.gz LYVJGCWGCPKZQL-QZTJIDSGSA-N 1 1 353.426 3.018 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)c([N+](=O)[O-])cc1OC ZINC000377240523 499673120 /nfs/dbraw/zinc/67/31/20/499673120.db2.gz DGEBOLJOAZVVTB-HNNXBMFYSA-N 1 1 357.410 3.072 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](Cc1cccnc1)C(C)C ZINC000411410175 499736339 /nfs/dbraw/zinc/73/63/39/499736339.db2.gz RPBSONZYZGYGTO-UHFFFAOYSA-N 1 1 372.425 3.238 20 5 FGBDMO Cc1ccc([C@H](c2ccccn2)[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000377933209 499749311 /nfs/dbraw/zinc/74/93/11/499749311.db2.gz UAORYFDTILNIKN-LJQANCHMSA-N 1 1 351.410 3.216 20 5 FGBDMO CS(=O)(=O)c1ccccc1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000414254654 499771656 /nfs/dbraw/zinc/77/16/56/499771656.db2.gz MOXROEOURKBDOY-KRWDZBQOSA-N 1 1 360.435 3.166 20 5 FGBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000411721694 499783243 /nfs/dbraw/zinc/78/32/43/499783243.db2.gz PEZHNKVRAVQXIO-SFHVURJKSA-N 1 1 357.385 3.014 20 5 FGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000411721694 499783244 /nfs/dbraw/zinc/78/32/44/499783244.db2.gz PEZHNKVRAVQXIO-SFHVURJKSA-N 1 1 357.385 3.014 20 5 FGBDMO CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000411894698 499801763 /nfs/dbraw/zinc/80/17/63/499801763.db2.gz SGNZCCYUMLUHSZ-AEFFLSMTSA-N 1 1 366.377 3.047 20 5 FGBDMO COc1cc(C[N@H+]2CC3(CCOCC3)[C@@H]2C(C)C)c([N+](=O)[O-])cc1OC ZINC000414517957 499801895 /nfs/dbraw/zinc/80/18/95/499801895.db2.gz ALQPOUFBLFPMTQ-SFHVURJKSA-N 1 1 364.442 3.249 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000411973620 499807955 /nfs/dbraw/zinc/80/79/55/499807955.db2.gz RQTAJVHBGBZRNU-ZMYBRWDISA-N 1 1 353.422 3.165 20 5 FGBDMO COc1ccc(-c2ccc(CN3CCC[C@H]([C@H](C)[NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000414654782 499817520 /nfs/dbraw/zinc/81/75/20/499817520.db2.gz GOSFOALWXYFZHI-KBPBESRZSA-N 1 1 359.426 3.423 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000412695129 499876602 /nfs/dbraw/zinc/87/66/02/499876602.db2.gz IMBKWSAGWPHXGF-INIZCTEOSA-N 1 1 353.422 3.250 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000412695129 499876603 /nfs/dbraw/zinc/87/66/03/499876603.db2.gz IMBKWSAGWPHXGF-INIZCTEOSA-N 1 1 353.422 3.250 20 5 FGBDMO Cc1noc(C)c1C[NH+]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413093651 499913131 /nfs/dbraw/zinc/91/31/31/499913131.db2.gz OOODUPSICBOMCW-UHFFFAOYSA-N 1 1 367.409 3.070 20 5 FGBDMO CC(C)Oc1cc(C(=O)N2CC[N@H+](C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000413373258 499946508 /nfs/dbraw/zinc/94/65/08/499946508.db2.gz YWRVZCGIBLHENR-UHFFFAOYSA-N 1 1 369.421 3.474 20 5 FGBDMO CC(C)Oc1cc(C(=O)N2CC[N@@H+](C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000413373258 499946509 /nfs/dbraw/zinc/94/65/09/499946509.db2.gz YWRVZCGIBLHENR-UHFFFAOYSA-N 1 1 369.421 3.474 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425014642 499993627 /nfs/dbraw/zinc/99/36/27/499993627.db2.gz UCPRTUXUVVPIRT-PKOBYXMFSA-N 1 1 365.433 3.250 20 5 FGBDMO CC(=O)c1cc([N+](=O)[O-])ccc1OCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000421217964 499994530 /nfs/dbraw/zinc/99/45/30/499994530.db2.gz RCQKXVHIHAZIFO-UHFFFAOYSA-N 1 1 370.405 3.209 20 5 FGBDMO CNC(=O)[C@H]1CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000421395101 500036792 /nfs/dbraw/zinc/03/67/92/500036792.db2.gz YCPLFMHTTQHXMK-AWEZNQCLSA-N 1 1 373.384 3.094 20 5 FGBDMO CC[N@@H+]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])c(C)cc3C)sc2C1 ZINC000421449510 500051364 /nfs/dbraw/zinc/05/13/64/500051364.db2.gz IYGNRCYLFAWDMU-UHFFFAOYSA-N 1 1 360.439 3.298 20 5 FGBDMO CC[N@H+]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])c(C)cc3C)sc2C1 ZINC000421449510 500051367 /nfs/dbraw/zinc/05/13/67/500051367.db2.gz IYGNRCYLFAWDMU-UHFFFAOYSA-N 1 1 360.439 3.298 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)cnc1N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425271306 500061904 /nfs/dbraw/zinc/06/19/04/500061904.db2.gz CGNMJTKXKYSCON-WMLDXEAASA-N 1 1 358.829 3.354 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000425413524 500097077 /nfs/dbraw/zinc/09/70/77/500097077.db2.gz BPPWAOAUYIRYJV-AAEUAGOBSA-N 1 1 355.232 3.216 20 5 FGBDMO COC(=O)[C@@H](CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000425428045 500103457 /nfs/dbraw/zinc/10/34/57/500103457.db2.gz VQFVCMMTBQTAEP-IBGZPJMESA-N 1 1 354.406 3.300 20 5 FGBDMO COC(=O)[C@@H](CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000425428045 500103461 /nfs/dbraw/zinc/10/34/61/500103461.db2.gz VQFVCMMTBQTAEP-IBGZPJMESA-N 1 1 354.406 3.300 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000425447195 500108269 /nfs/dbraw/zinc/10/82/69/500108269.db2.gz RJMSFFISIOHKJQ-HNNXBMFYSA-N 1 1 355.232 3.360 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000425447195 500108272 /nfs/dbraw/zinc/10/82/72/500108272.db2.gz RJMSFFISIOHKJQ-HNNXBMFYSA-N 1 1 355.232 3.360 20 5 FGBDMO C[C@@H](CO)[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])CC1CCC1 ZINC000425484605 500119835 /nfs/dbraw/zinc/11/98/35/500119835.db2.gz SMMNSGRIFPENGX-NSHDSACASA-N 1 1 357.248 3.340 20 5 FGBDMO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430211325 500209409 /nfs/dbraw/zinc/20/94/09/500209409.db2.gz XRXOIRYTBOWKFB-ZBFHGGJFSA-N 1 1 363.458 3.120 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000430209562 500209514 /nfs/dbraw/zinc/20/95/14/500209514.db2.gz RSEOBQCWMXEQLK-IBGZPJMESA-N 1 1 356.422 3.475 20 5 FGBDMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430236470 500213281 /nfs/dbraw/zinc/21/32/81/500213281.db2.gz BBSKLNSQFLLRKZ-SFHVURJKSA-N 1 1 350.415 3.015 20 5 FGBDMO CC1(C)CCC[C@@H]1[N@H+](Cc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000426819943 500325099 /nfs/dbraw/zinc/32/50/99/500325099.db2.gz JKQCKXWDEFWWFP-OALUTQOASA-N 1 1 372.469 3.233 20 5 FGBDMO CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000570535759 506189791 /nfs/dbraw/zinc/18/97/91/506189791.db2.gz NKRCFHXKHRIEDJ-WMLDXEAASA-N 1 1 371.441 3.289 20 5 FGBDMO COC(=O)c1cccc(OCC[N@@H+](C)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000419108452 500340432 /nfs/dbraw/zinc/34/04/32/500340432.db2.gz GIXCUKABMPIAQY-UHFFFAOYSA-N 1 1 362.357 3.031 20 5 FGBDMO Cc1cc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)cc(N2CCCC2)[nH+]1 ZINC000579531271 506195538 /nfs/dbraw/zinc/19/55/38/506195538.db2.gz RMSLVHKZTWALQP-UHFFFAOYSA-N 1 1 355.398 3.220 20 5 FGBDMO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000428032994 500460412 /nfs/dbraw/zinc/46/04/12/500460412.db2.gz PZBPVAASSHRKED-CYBMUJFWSA-N 1 1 357.410 3.160 20 5 FGBDMO Cn1cc[nH+]c1N1CCC(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000428266008 500488865 /nfs/dbraw/zinc/48/88/65/500488865.db2.gz JRFUAGQTPJXQBA-UHFFFAOYSA-N 1 1 369.347 3.428 20 5 FGBDMO CCC[C@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])CC[N@H+]1CCOC ZINC000432326145 500499501 /nfs/dbraw/zinc/49/95/01/500499501.db2.gz ACBXZZIWTYIOHL-HNNXBMFYSA-N 1 1 358.442 3.080 20 5 FGBDMO C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)[C@H](C(N)=O)C1 ZINC000428456944 500512529 /nfs/dbraw/zinc/51/25/29/500512529.db2.gz GJPBBQNAHCVICI-LRDDRELGSA-N 1 1 359.451 3.409 20 5 FGBDMO O=C1[C@H]([N@@H+]2CCC[C@H](CC(F)(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000420954141 500540874 /nfs/dbraw/zinc/54/08/74/500540874.db2.gz UKXOMWLCPCKGIE-IUODEOHRSA-N 1 1 371.359 3.365 20 5 FGBDMO O=C1[C@H]([N@H+]2CCC[C@H](CC(F)(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000420954141 500540877 /nfs/dbraw/zinc/54/08/77/500540877.db2.gz UKXOMWLCPCKGIE-IUODEOHRSA-N 1 1 371.359 3.365 20 5 FGBDMO O=C(C[N@H+]1CCC[C@H](c2ccccc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000433052525 500614738 /nfs/dbraw/zinc/61/47/38/500614738.db2.gz LQYCISAZLWBRAW-SFHVURJKSA-N 1 1 365.433 3.364 20 5 FGBDMO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437854150 500707759 /nfs/dbraw/zinc/70/77/59/500707759.db2.gz YHULFQBMJSPINK-QGZVFWFLSA-N 1 1 374.485 3.310 20 5 FGBDMO COc1ccc(C[N@@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000434010778 500781184 /nfs/dbraw/zinc/78/11/84/500781184.db2.gz FRLZGJMCOVGWOP-PXNSSMCTSA-N 1 1 370.453 3.123 20 5 FGBDMO COc1ccc(CN(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000434010778 500781187 /nfs/dbraw/zinc/78/11/87/500781187.db2.gz FRLZGJMCOVGWOP-PXNSSMCTSA-N 1 1 370.453 3.123 20 5 FGBDMO COc1ccc(CN(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000434010778 500781190 /nfs/dbraw/zinc/78/11/90/500781190.db2.gz FRLZGJMCOVGWOP-PXNSSMCTSA-N 1 1 370.453 3.123 20 5 FGBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@@](C)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000438489773 500792419 /nfs/dbraw/zinc/79/24/19/500792419.db2.gz JXULTYGTYAUCKI-HXUWFJFHSA-N 1 1 369.421 3.206 20 5 FGBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@@](C)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000438489773 500792421 /nfs/dbraw/zinc/79/24/21/500792421.db2.gz JXULTYGTYAUCKI-HXUWFJFHSA-N 1 1 369.421 3.206 20 5 FGBDMO C[C@@]1(c2ccccc2)CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000438494191 500792807 /nfs/dbraw/zinc/79/28/07/500792807.db2.gz SHVFTRHPIIGFFU-TZIWHRDSSA-N 1 1 365.433 3.364 20 5 FGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCCOCc1ccccc1 ZINC000439489569 500905645 /nfs/dbraw/zinc/90/56/45/500905645.db2.gz DATOCDIZNPBWHQ-INIZCTEOSA-N 1 1 371.437 3.461 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000444924845 500922264 /nfs/dbraw/zinc/92/22/64/500922264.db2.gz RGKNNGJHEWUOBD-CYBMUJFWSA-N 1 1 364.446 3.235 20 5 FGBDMO Cc1cccc(NCCNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)[nH+]1 ZINC000445000957 500931025 /nfs/dbraw/zinc/93/10/25/500931025.db2.gz RCUMEQILKBXDCC-UHFFFAOYSA-N 1 1 372.428 3.227 20 5 FGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000449336504 500981604 /nfs/dbraw/zinc/98/16/04/500981604.db2.gz NSULHOARQYMLEP-BEFAXECRSA-N 1 1 355.438 3.205 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3C[C@H](O)C[C@@H]3[C@@H]3CCCOC3)o2)c1 ZINC000449434297 501001977 /nfs/dbraw/zinc/00/19/77/501001977.db2.gz QJJNQXNTDYVSCV-SZVBFZGTSA-N 1 1 372.421 3.217 20 5 FGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@](C)(NCC(=O)OC(C)(C)C)C1 ZINC000440517055 501017684 /nfs/dbraw/zinc/01/76/84/501017684.db2.gz HRUHQIGPPJGQGS-AUUYWEPGSA-N 1 1 363.458 3.052 20 5 FGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@](C)(NCC(=O)OC(C)(C)C)C1 ZINC000440517055 501017687 /nfs/dbraw/zinc/01/76/87/501017687.db2.gz HRUHQIGPPJGQGS-AUUYWEPGSA-N 1 1 363.458 3.052 20 5 FGBDMO Cc1cccc(N2CCC(Nc3nccc4cc([N+](=O)[O-])ccc43)CC2)[nH+]1 ZINC000450339195 501094835 /nfs/dbraw/zinc/09/48/35/501094835.db2.gz OVDGONXQXMQYMD-UHFFFAOYSA-N 1 1 363.421 3.349 20 5 FGBDMO Cc1nc(N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000450386853 501107912 /nfs/dbraw/zinc/10/79/12/501107912.db2.gz GKSWAWGCIJMEOZ-ZWKOTPCHSA-N 1 1 367.453 3.184 20 5 FGBDMO COc1ccc(OCC[N@@H+](C)[C@H]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000441382341 501131639 /nfs/dbraw/zinc/13/16/39/501131639.db2.gz KNGWFZQHIOPLRT-KRWDZBQOSA-N 1 1 356.422 3.472 20 5 FGBDMO CC(C)[C@@H](c1ccccc1Cl)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441396824 501133543 /nfs/dbraw/zinc/13/35/43/501133543.db2.gz DIKVAYHIEHFEHE-PBHICJAKSA-N 1 1 366.849 3.135 20 5 FGBDMO CCO[C@@H]1C[C@H]([N@@H+](C)CCOc2ccc(OC)cc2[N+](=O)[O-])C1(C)C ZINC000441438258 501139275 /nfs/dbraw/zinc/13/92/75/501139275.db2.gz JAFIMRCUWCGBFL-DLBZAZTESA-N 1 1 352.431 3.118 20 5 FGBDMO C[C@@H]1Cc2[nH+]cn(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)c2C[C@H]1C ZINC000450995241 501237660 /nfs/dbraw/zinc/23/76/60/501237660.db2.gz DQPAFKRYMCRRDI-VXGBXAGGSA-N 1 1 353.382 3.260 20 5 FGBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCc2ccccc2C)c([N+](=O)[O-])c1 ZINC000451164401 501249354 /nfs/dbraw/zinc/24/93/54/501249354.db2.gz BOFHIEDHYYRHEU-HNNXBMFYSA-N 1 1 371.437 3.413 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCCC[C@@H]3[C@H]3CCC[C@@H]3O)o2)cc1 ZINC000451335323 501268524 /nfs/dbraw/zinc/26/85/24/501268524.db2.gz CYYRNOALZVXKJF-ZACQAIPSSA-N 1 1 372.425 3.160 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc([C@@H]3CCC[N@H+]3C3CC3)n2)c2c1NCCC2 ZINC000453238611 501296834 /nfs/dbraw/zinc/29/68/34/501296834.db2.gz OOAJMFRAMMXRFG-HNNXBMFYSA-N 1 1 355.398 3.302 20 5 FGBDMO O=C(CC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)Nc1cccnc1 ZINC000451547697 501320031 /nfs/dbraw/zinc/32/00/31/501320031.db2.gz LTECPLCJUDRPLS-INIZCTEOSA-N 1 1 354.410 3.198 20 5 FGBDMO O=C(CC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)Nc1cccnc1 ZINC000451547698 501320181 /nfs/dbraw/zinc/32/01/81/501320181.db2.gz LTECPLCJUDRPLS-MRXNPFEDSA-N 1 1 354.410 3.198 20 5 FGBDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000592800903 506249906 /nfs/dbraw/zinc/24/99/06/506249906.db2.gz MXUZDDIUWSLNSA-ZDUSSCGKSA-N 1 1 369.425 3.145 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@]4(CCSC4)C3)n2)c1 ZINC000451965121 501409435 /nfs/dbraw/zinc/40/94/35/501409435.db2.gz LUOIUVIFYQCABE-KRWDZBQOSA-N 1 1 360.439 3.364 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@]4(CCSC4)C3)n2)c1 ZINC000451965121 501409437 /nfs/dbraw/zinc/40/94/37/501409437.db2.gz LUOIUVIFYQCABE-KRWDZBQOSA-N 1 1 360.439 3.364 20 5 FGBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000458408173 501438422 /nfs/dbraw/zinc/43/84/22/501438422.db2.gz BADOTSDTDIIMOZ-SFHVURJKSA-N 1 1 362.474 3.042 20 5 FGBDMO CC[C@@H](C)[NH+]1CCN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000456563625 501549139 /nfs/dbraw/zinc/54/91/39/501549139.db2.gz WPCSJMUTNAPQHK-ZIAGYGMSSA-N 1 1 351.472 3.018 20 5 FGBDMO O=[N+]([O-])c1ccc2ncnc(N3CCC[N@@H+](Cc4ccccc4)CC3)c2c1 ZINC000611700936 506262129 /nfs/dbraw/zinc/26/21/29/506262129.db2.gz ZDTGEZIQSDXXEN-UHFFFAOYSA-N 1 1 363.421 3.250 20 5 FGBDMO CC1(C)CCC[N@H+]1CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000457056396 501642194 /nfs/dbraw/zinc/64/21/94/501642194.db2.gz NTMMXYYICJFRDQ-UHFFFAOYSA-N 1 1 359.348 3.218 20 5 FGBDMO CCOCCC[N@H+]1CC[C@@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000611705103 506265933 /nfs/dbraw/zinc/26/59/33/506265933.db2.gz FMRNYGLUSXEMOT-WMLDXEAASA-N 1 1 373.457 3.087 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)[C@H](C)C1 ZINC000596137911 506274695 /nfs/dbraw/zinc/27/46/95/506274695.db2.gz XYNPHNGHBZWAIA-VXGBXAGGSA-N 1 1 369.849 3.201 20 5 FGBDMO COc1cccc([C@@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)OC)c1 ZINC000602719824 506273037 /nfs/dbraw/zinc/27/30/37/506273037.db2.gz AAKMXRJHPXXTOC-QGZVFWFLSA-N 1 1 357.366 3.222 20 5 FGBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CCOc2ccc(OC)cc2[N+](=O)[O-])C12CCC2 ZINC000477843362 501805430 /nfs/dbraw/zinc/80/54/30/501805430.db2.gz CATXSTAHEPTOMR-QZTJIDSGSA-N 1 1 364.442 3.262 20 5 FGBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@@H](O)C[C@H]3c3ccccc3)nc2c1 ZINC000602731610 506279075 /nfs/dbraw/zinc/27/90/75/506279075.db2.gz ODDJYYWTXWCRJP-WBVHZDCISA-N 1 1 353.378 3.434 20 5 FGBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@H](O)C[C@H]3c3ccccc3)nc2c1 ZINC000602731610 506279080 /nfs/dbraw/zinc/27/90/80/506279080.db2.gz ODDJYYWTXWCRJP-WBVHZDCISA-N 1 1 353.378 3.434 20 5 FGBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485604508 501874616 /nfs/dbraw/zinc/87/46/16/501874616.db2.gz XMAPXULFNPWREF-TXEJJXNPSA-N 1 1 371.384 3.189 20 5 FGBDMO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000467847872 501890055 /nfs/dbraw/zinc/89/00/55/501890055.db2.gz AKYPFFIKQNJDSD-NBHGPNQESA-N 1 1 369.465 3.128 20 5 FGBDMO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000467847872 501890057 /nfs/dbraw/zinc/89/00/57/501890057.db2.gz AKYPFFIKQNJDSD-NBHGPNQESA-N 1 1 369.465 3.128 20 5 FGBDMO O=[N+]([O-])c1cccc(OCCN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000471018641 501893125 /nfs/dbraw/zinc/89/31/25/501893125.db2.gz LLWHJSPWGXYYSK-KDURUIRLSA-N 1 1 367.449 3.037 20 5 FGBDMO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000464342362 501959990 /nfs/dbraw/zinc/95/99/90/501959990.db2.gz YYJOGYCBFLXMCO-SFHVURJKSA-N 1 1 374.485 3.168 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC000478475173 501994762 /nfs/dbraw/zinc/99/47/62/501994762.db2.gz KETHVTOQLZPHLY-QWHCGFSZSA-N 1 1 351.472 3.167 20 5 FGBDMO CC[C@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000464489477 502003809 /nfs/dbraw/zinc/00/38/09/502003809.db2.gz VUHDZXPSCBJZSJ-AWEZNQCLSA-N 1 1 350.394 3.334 20 5 FGBDMO COc1cc(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000464675503 502060838 /nfs/dbraw/zinc/06/08/38/502060838.db2.gz ANQRRWFRNRCNOK-QGZVFWFLSA-N 1 1 373.428 3.449 20 5 FGBDMO CSc1ccc(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000478700499 502062148 /nfs/dbraw/zinc/06/21/48/502062148.db2.gz JRUQYGBHYMNLSK-CHWSQXEVSA-N 1 1 351.472 3.309 20 5 FGBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000468482223 502075196 /nfs/dbraw/zinc/07/51/96/502075196.db2.gz AHABQYRYKBBBLB-OAHLLOKOSA-N 1 1 353.850 3.027 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@H]4COCC[C@H]43)o2)c1 ZINC000464854044 502123395 /nfs/dbraw/zinc/12/33/95/502123395.db2.gz PPGOTLRCQWZCOE-DOTOQJQBSA-N 1 1 357.410 3.293 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CCCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000475432774 502170112 /nfs/dbraw/zinc/17/01/12/502170112.db2.gz GAYIXSXMQBCNAZ-UHFFFAOYSA-N 1 1 370.405 3.095 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](n1cccn1)C(F)(F)F ZINC000599056758 506299242 /nfs/dbraw/zinc/29/92/42/506299242.db2.gz NKIRVTPFSFTRQQ-HZMBPMFUSA-N 1 1 358.320 3.254 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@]2(CO)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000475655617 502243621 /nfs/dbraw/zinc/24/36/21/502243621.db2.gz ZBCPGXPGIGPOFJ-HXUWFJFHSA-N 1 1 356.422 3.173 20 5 FGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](CC(N)=O)c1ccccc1 ZINC000483117318 502279327 /nfs/dbraw/zinc/27/93/27/502279327.db2.gz GUDSKYKLNUPDKG-SFHVURJKSA-N 1 1 371.437 3.431 20 5 FGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H](CC(N)=O)c1ccccc1 ZINC000483117318 502279330 /nfs/dbraw/zinc/27/93/30/502279330.db2.gz GUDSKYKLNUPDKG-SFHVURJKSA-N 1 1 371.437 3.431 20 5 FGBDMO Cc1c(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000487061405 502345197 /nfs/dbraw/zinc/34/51/97/502345197.db2.gz NIMBPCFGYYUJNW-SFHVURJKSA-N 1 1 367.449 3.198 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000462236643 502362708 /nfs/dbraw/zinc/36/27/08/502362708.db2.gz IDXKJQRNHNRSBT-KBXCAEBGSA-N 1 1 354.410 3.237 20 5 FGBDMO CC(C)[C@@H]1CN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC[N@H+]1C ZINC000487136376 502369973 /nfs/dbraw/zinc/36/99/73/502369973.db2.gz JXAFGAQJNOERIU-SFHVURJKSA-N 1 1 370.453 3.345 20 5 FGBDMO C[C@H]([N@H+](Cc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000469443900 502421298 /nfs/dbraw/zinc/42/12/98/502421298.db2.gz DCGFWUDJNPIUJL-MAUKXSAKSA-N 1 1 360.458 3.089 20 5 FGBDMO CC[N@@H+](CCNc1c2ccccc2ncc1[N+](=O)[O-])CCC(F)(F)F ZINC000487761075 502523991 /nfs/dbraw/zinc/52/39/91/502523991.db2.gz KZSFTUQLJMHBQR-UHFFFAOYSA-N 1 1 356.348 3.251 20 5 FGBDMO CC[C@@H](NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000484136648 502579906 /nfs/dbraw/zinc/57/99/06/502579906.db2.gz VSURXHLCMKJNGF-RTWAWAEBSA-N 1 1 369.465 3.273 20 5 FGBDMO CC[C@@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000484136648 502579910 /nfs/dbraw/zinc/57/99/10/502579910.db2.gz VSURXHLCMKJNGF-RTWAWAEBSA-N 1 1 369.465 3.273 20 5 FGBDMO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000484153652 502587161 /nfs/dbraw/zinc/58/71/61/502587161.db2.gz BNBIPBXXKOAFBL-SCWSEQNSSA-N 1 1 369.465 3.128 20 5 FGBDMO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000484153652 502587165 /nfs/dbraw/zinc/58/71/65/502587165.db2.gz BNBIPBXXKOAFBL-SCWSEQNSSA-N 1 1 369.465 3.128 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(N3C[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]4C3)nc2c1 ZINC000480576894 502608302 /nfs/dbraw/zinc/60/83/02/502608302.db2.gz HNSQMTLJOWCBFQ-IYBDPMFKSA-N 1 1 363.421 3.039 20 5 FGBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](C)C[NH+]1CCCCCC1 ZINC000480719967 502653345 /nfs/dbraw/zinc/65/33/45/502653345.db2.gz ZBSLAHWKFSYGRB-HZPDHXFCSA-N 1 1 362.474 3.166 20 5 FGBDMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470151316 502681688 /nfs/dbraw/zinc/68/16/88/502681688.db2.gz HDYGYAHLDGLXNH-OAHLLOKOSA-N 1 1 372.400 3.378 20 5 FGBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000470216598 502708451 /nfs/dbraw/zinc/70/84/51/502708451.db2.gz UAFKCTKHVQHUFZ-ZDUSSCGKSA-N 1 1 351.834 3.052 20 5 FGBDMO CSc1ccc(C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000470239303 502712844 /nfs/dbraw/zinc/71/28/44/502712844.db2.gz LERUTIWGYIROOG-AWEZNQCLSA-N 1 1 363.483 3.121 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000488514972 502739284 /nfs/dbraw/zinc/73/92/84/502739284.db2.gz KLTOYOGWKQAGRA-BEFAXECRSA-N 1 1 353.422 3.235 20 5 FGBDMO Cc1cc(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000467047574 502770533 /nfs/dbraw/zinc/77/05/33/502770533.db2.gz RTWHHNKFJKNVBP-YJBOKZPZSA-N 1 1 353.422 3.296 20 5 FGBDMO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000504913216 502822889 /nfs/dbraw/zinc/82/28/89/502822889.db2.gz CVNFEQSNGCEKFC-KRWDZBQOSA-N 1 1 354.410 3.381 20 5 FGBDMO COc1cc2c(cc1OC)CC[NH+](Cc1c(F)cccc1[N+](=O)[O-])CC2 ZINC000509155459 502835711 /nfs/dbraw/zinc/83/57/11/502835711.db2.gz PVZMWCOLHUHTIL-UHFFFAOYSA-N 1 1 360.385 3.352 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(C[S@@](C)=O)cc1 ZINC000513071058 502844826 /nfs/dbraw/zinc/84/48/26/502844826.db2.gz VSJKBRXPXCTSAH-RUZDIDTESA-N 1 1 362.451 3.162 20 5 FGBDMO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1C ZINC000489043835 502867417 /nfs/dbraw/zinc/86/74/17/502867417.db2.gz ZIWMGKMGXLGTQW-AWEZNQCLSA-N 1 1 357.410 3.371 20 5 FGBDMO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1C ZINC000489043835 502867420 /nfs/dbraw/zinc/86/74/20/502867420.db2.gz ZIWMGKMGXLGTQW-AWEZNQCLSA-N 1 1 357.410 3.371 20 5 FGBDMO Cc1cc(NC[C@H](C)[N@H+]2CCC[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489159414 502890961 /nfs/dbraw/zinc/89/09/61/502890961.db2.gz CSFSWBVOZAVNOX-HOCLYGCPSA-N 1 1 369.469 3.314 20 5 FGBDMO COCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)[C@@H]1CCO[C@H]1C ZINC000489463037 502963934 /nfs/dbraw/zinc/96/39/34/502963934.db2.gz HAHLWSFAPTYPMI-WMLDXEAASA-N 1 1 352.431 3.008 20 5 FGBDMO COCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)[C@@H]1CCO[C@H]1C ZINC000489463037 502963940 /nfs/dbraw/zinc/96/39/40/502963940.db2.gz HAHLWSFAPTYPMI-WMLDXEAASA-N 1 1 352.431 3.008 20 5 FGBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000489577193 502990069 /nfs/dbraw/zinc/99/00/69/502990069.db2.gz KWEBQUZLLDQIAY-HNNXBMFYSA-N 1 1 362.474 3.107 20 5 FGBDMO COc1ccc(OCC[N@H+]2CC[C@@H](COc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000505901353 503009858 /nfs/dbraw/zinc/00/98/58/503009858.db2.gz PVCBADHFLLGYHO-MRXNPFEDSA-N 1 1 372.421 3.383 20 5 FGBDMO 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O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2cccc3c2CCC3)CC1 ZINC000593578256 506691705 /nfs/dbraw/zinc/69/17/05/506691705.db2.gz QTYCHYZXTUONTN-UHFFFAOYSA-N 1 1 365.433 3.042 20 5 FGBDMO C[C@H](O)C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCCCC1 ZINC000608869047 506730927 /nfs/dbraw/zinc/73/09/27/506730927.db2.gz MJBLDCNXLVERNL-ZDUSSCGKSA-N 1 1 360.414 3.160 20 5 FGBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000590175822 506758669 /nfs/dbraw/zinc/75/86/69/506758669.db2.gz UYMMVOQCXRDTFY-NWDGAFQWSA-N 1 1 373.375 3.464 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)[C@@H](C)C1 ZINC000597099875 506774083 /nfs/dbraw/zinc/77/40/83/506774083.db2.gz FREJLBOAOYOZLY-GXFFZTMASA-N 1 1 369.853 3.024 20 5 FGBDMO O=C(CC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1)NC1CCCC1 ZINC000609144510 506791752 /nfs/dbraw/zinc/79/17/52/506791752.db2.gz RXZBTDKHDFOQDY-UHFFFAOYSA-N 1 1 363.433 3.395 20 5 FGBDMO 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CC[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1OCC(=O)NC ZINC000604532783 506864014 /nfs/dbraw/zinc/86/40/14/506864014.db2.gz IFGCIBIUEWHEND-CQSZACIVSA-N 1 1 363.439 3.022 20 5 FGBDMO CCC[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)C1 ZINC000590573562 506864777 /nfs/dbraw/zinc/86/47/77/506864777.db2.gz BVDDYMZEPHRUPE-LLVKDONJSA-N 1 1 355.822 3.179 20 5 FGBDMO Cc1ccnc([C@@H]2CC[N@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)c1 ZINC000594005798 506876692 /nfs/dbraw/zinc/87/66/92/506876692.db2.gz HKRZEDWAKNNBHC-OAHLLOKOSA-N 1 1 365.393 3.338 20 5 FGBDMO Cc1ccnc([C@@H]2CC[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)c1 ZINC000594005798 506876699 /nfs/dbraw/zinc/87/66/99/506876699.db2.gz HKRZEDWAKNNBHC-OAHLLOKOSA-N 1 1 365.393 3.338 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000609540178 506915112 /nfs/dbraw/zinc/91/51/12/506915112.db2.gz SCFXXKZEAJJFPL-CYBMUJFWSA-N 1 1 359.382 3.015 20 5 FGBDMO CCn1c2ccc(C)cc2[nH+]c1NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000613104210 506916748 /nfs/dbraw/zinc/91/67/48/506916748.db2.gz AHTJULTXQXVFHU-UHFFFAOYSA-N 1 1 368.393 3.078 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](c3ccncc3)C2)cccc1[N+](=O)[O-] ZINC000583701374 506924935 /nfs/dbraw/zinc/92/49/35/506924935.db2.gz MVEYAUWREOLYTQ-GDBMZVCRSA-N 1 1 354.410 3.115 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](c3ccncc3)C2)cccc1[N+](=O)[O-] ZINC000583701374 506924947 /nfs/dbraw/zinc/92/49/47/506924947.db2.gz MVEYAUWREOLYTQ-GDBMZVCRSA-N 1 1 354.410 3.115 20 5 FGBDMO C[C@@H]1c2c(F)cccc2CC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000610004197 507068921 /nfs/dbraw/zinc/06/89/21/507068921.db2.gz FICNZUGLDNABAY-CZUORRHYSA-N 1 1 360.385 3.093 20 5 FGBDMO C[C@@H]1c2c(F)cccc2CC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000610004197 507068927 /nfs/dbraw/zinc/06/89/27/507068927.db2.gz FICNZUGLDNABAY-CZUORRHYSA-N 1 1 360.385 3.093 20 5 FGBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000610062252 507086586 /nfs/dbraw/zinc/08/65/86/507086586.db2.gz CXSYQXABBYEITO-HNNXBMFYSA-N 1 1 361.486 3.499 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000597861267 507139507 /nfs/dbraw/zinc/13/95/07/507139507.db2.gz SAFRYSPJQIECAA-LLVKDONJSA-N 1 1 371.384 3.046 20 5 FGBDMO Cn1cc[nH+]c1C[C@@H](Nc1nc2sccn2c1[N+](=O)[O-])c1ccccc1 ZINC000610282371 507175934 /nfs/dbraw/zinc/17/59/34/507175934.db2.gz PIDNBTWKLVXLNR-CYBMUJFWSA-N 1 1 368.422 3.433 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597925471 507177970 /nfs/dbraw/zinc/17/79/70/507177970.db2.gz PXRJYXXYIGDVFK-STQMWFEESA-N 1 1 351.472 3.064 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000610433447 507237101 /nfs/dbraw/zinc/23/71/01/507237101.db2.gz LPMNKVNQEBYQPF-SFHVURJKSA-N 1 1 355.438 3.180 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](Cn1cccn1)c1ccccc1 ZINC000610433012 507237121 /nfs/dbraw/zinc/23/71/21/507237121.db2.gz NWPFXEJTPKMZIS-GOSISDBHSA-N 1 1 352.394 3.331 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000610433446 507237865 /nfs/dbraw/zinc/23/78/65/507237865.db2.gz LPMNKVNQEBYQPF-GOSISDBHSA-N 1 1 355.438 3.180 20 5 FGBDMO CC(C)N(C)C(=O)C1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601103906 507260861 /nfs/dbraw/zinc/26/08/61/507260861.db2.gz LWYHXDYEAZOZPD-UHFFFAOYSA-N 1 1 356.426 3.226 20 5 FGBDMO CSc1ccc(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000598219027 507323082 /nfs/dbraw/zinc/32/30/82/507323082.db2.gz KXKDKJATPBGITR-AWEZNQCLSA-N 1 1 363.483 3.454 20 5 FGBDMO COc1cc(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)cc([N+](=O)[O-])c1C ZINC000598218548 507323399 /nfs/dbraw/zinc/32/33/99/507323399.db2.gz HRXDEZDDCLAOMH-OAHLLOKOSA-N 1 1 361.442 3.049 20 5 FGBDMO C[N@H+]1CCCC12CCN(C(=O)C1(c3ccc([N+](=O)[O-])cc3)CCC1)CC2 ZINC000601404575 507356660 /nfs/dbraw/zinc/35/66/60/507356660.db2.gz YVZZBABAEFLWLZ-UHFFFAOYSA-N 1 1 357.454 3.103 20 5 FGBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000595081618 507383020 /nfs/dbraw/zinc/38/30/20/507383020.db2.gz SZFVXNPKFLZCSA-DOTOQJQBSA-N 1 1 374.485 3.309 20 5 FGBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000595081618 507383027 /nfs/dbraw/zinc/38/30/27/507383027.db2.gz SZFVXNPKFLZCSA-DOTOQJQBSA-N 1 1 374.485 3.309 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]CC[C@@]1(C)CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000595081918 507383746 /nfs/dbraw/zinc/38/37/46/507383746.db2.gz UFVJUTAAEXSAHP-HOCLYGCPSA-N 1 1 350.369 3.443 20 5 FGBDMO COC(=O)c1cc(N2CCC[N@H+](C3CCCC3)CC2)cc(C)c1[N+](=O)[O-] ZINC000610769891 507384541 /nfs/dbraw/zinc/38/45/41/507384541.db2.gz PKTQLAVBDRGHCZ-UHFFFAOYSA-N 1 1 361.442 3.145 20 5 FGBDMO C[C@H]1[C@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000601583200 507395007 /nfs/dbraw/zinc/39/50/07/507395007.db2.gz XVMCCPBCPJYPKA-XJKSGUPXSA-N 1 1 357.385 3.127 20 5 FGBDMO COc1cc(C[N@H+](C)CCOC(C)(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000610859764 507417900 /nfs/dbraw/zinc/41/79/00/507417900.db2.gz LRAQAXOQJAEDOH-UHFFFAOYSA-N 1 1 362.373 3.452 20 5 FGBDMO COc1cc(C[N@@H+](C)CCOC(C)(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000610859764 507417905 /nfs/dbraw/zinc/41/79/05/507417905.db2.gz LRAQAXOQJAEDOH-UHFFFAOYSA-N 1 1 362.373 3.452 20 5 FGBDMO CC1(C)C[C@@H]([NH+]2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CO1 ZINC000595288910 507447915 /nfs/dbraw/zinc/44/79/15/507447915.db2.gz AXKZHDBHGITSHV-CYBMUJFWSA-N 1 1 373.375 3.303 20 5 FGBDMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595298304 507452918 /nfs/dbraw/zinc/45/29/18/507452918.db2.gz QDGWBHLJNBCMKY-HIFRSBDPSA-N 1 1 351.422 3.251 20 5 FGBDMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595298304 507452926 /nfs/dbraw/zinc/45/29/26/507452926.db2.gz QDGWBHLJNBCMKY-HIFRSBDPSA-N 1 1 351.422 3.251 20 5 FGBDMO CC(C)(C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000598511507 507468741 /nfs/dbraw/zinc/46/87/41/507468741.db2.gz PJGLFYYEDTWEPB-KRWDZBQOSA-N 1 1 367.449 3.263 20 5 FGBDMO CC(C)(C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000598511507 507468750 /nfs/dbraw/zinc/46/87/50/507468750.db2.gz PJGLFYYEDTWEPB-KRWDZBQOSA-N 1 1 367.449 3.263 20 5 FGBDMO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000598559350 507486438 /nfs/dbraw/zinc/48/64/38/507486438.db2.gz FYKNSNMVYWAXHP-CYBMUJFWSA-N 1 1 351.834 3.100 20 5 FGBDMO CN(C(=O)C[NH2+]C1(c2ccccc2Cl)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000592137174 507500563 /nfs/dbraw/zinc/50/05/63/507500563.db2.gz FQVJJTHLFVKJEI-UHFFFAOYSA-N 1 1 359.813 3.490 20 5 FGBDMO CN(C(=O)C[NH2+]C1(c2ccccc2F)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000592144279 507508130 /nfs/dbraw/zinc/50/81/30/507508130.db2.gz HIADCUCNIDYFPT-UHFFFAOYSA-N 1 1 357.385 3.366 20 5 FGBDMO COC(=O)c1ccnc(SCC[N@@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000598621536 507521701 /nfs/dbraw/zinc/52/17/01/507521701.db2.gz HYNFSXJLGLPZFD-UHFFFAOYSA-N 1 1 361.423 3.001 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000592192203 507531770 /nfs/dbraw/zinc/53/17/70/507531770.db2.gz GRONUZMGKRVBSA-OAHLLOKOSA-N 1 1 361.442 3.265 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@H](c3ccc(F)cc3)C1)OCCO2 ZINC000611271358 507594891 /nfs/dbraw/zinc/59/48/91/507594891.db2.gz VWOAWLZPWFQANG-AWEZNQCLSA-N 1 1 358.369 3.495 20 5 FGBDMO C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611286841 507605841 /nfs/dbraw/zinc/60/58/41/507605841.db2.gz QZYIYHSXBGVPFZ-SCLBCKFNSA-N 1 1 370.405 3.190 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000595702385 507638592 /nfs/dbraw/zinc/63/85/92/507638592.db2.gz JAUHJQKNHOAPSR-IRXDYDNUSA-N 1 1 374.485 3.357 20 5 FGBDMO Cc1noc(C[NH+]2CCC(CCC(=O)OC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000595715029 507644917 /nfs/dbraw/zinc/64/49/17/507644917.db2.gz BHUJXQDCLKUGBC-UHFFFAOYSA-N 1 1 353.419 3.225 20 5 FGBDMO Cn1c2c(nc1[C@@H]1CCCN1Cc1cc(O)ccc1[N+](=O)[O-])CCCC2 ZINC000614771627 507647540 /nfs/dbraw/zinc/64/75/40/507647540.db2.gz OLFKNOTULSTRSP-SFHVURJKSA-N 1 1 356.426 3.250 20 5 FGBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000586773504 507667376 /nfs/dbraw/zinc/66/73/76/507667376.db2.gz QANLATYMRJQYCO-SJLPKXTDSA-N 1 1 359.470 3.250 20 5 FGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000586773504 507667381 /nfs/dbraw/zinc/66/73/81/507667381.db2.gz QANLATYMRJQYCO-SJLPKXTDSA-N 1 1 359.470 3.250 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC2(CCCC2)OC[C@H]1C ZINC000595816453 507699095 /nfs/dbraw/zinc/69/90/95/507699095.db2.gz XFOAYDAYPQQGCG-OAHLLOKOSA-N 1 1 361.442 3.265 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](N(C)c2ccccc2)C1 ZINC000595826381 507703864 /nfs/dbraw/zinc/70/38/64/507703864.db2.gz OFFDXQHBHIHRBG-SFHVURJKSA-N 1 1 368.437 3.052 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](N(C)c2ccccc2)C1 ZINC000595826381 507703868 /nfs/dbraw/zinc/70/38/68/507703868.db2.gz OFFDXQHBHIHRBG-SFHVURJKSA-N 1 1 368.437 3.052 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000595838864 507708807 /nfs/dbraw/zinc/70/88/07/507708807.db2.gz XQGDWDKGNZMZOQ-OAHLLOKOSA-N 1 1 361.442 3.444 20 5 FGBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000595839446 507708868 /nfs/dbraw/zinc/70/88/68/507708868.db2.gz YJHPZPSBRRUPTC-OAHLLOKOSA-N 1 1 359.426 3.405 20 5 FGBDMO Cn1cc(C[NH+]2CCC(c3nc4ccccc4s3)CC2)c([N+](=O)[O-])n1 ZINC000602432821 507708970 /nfs/dbraw/zinc/70/89/70/507708970.db2.gz IWOZFVCVYYECPN-UHFFFAOYSA-N 1 1 357.439 3.318 20 5 FGBDMO COc1cc(C[NH2+]Cc2ccoc2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000611519272 507719372 /nfs/dbraw/zinc/71/93/72/507719372.db2.gz KEPQGZKSUWEHKE-UHFFFAOYSA-N 1 1 356.325 3.439 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](CCC1CC1)CC1CC1 ZINC000595872392 507720673 /nfs/dbraw/zinc/72/06/73/507720673.db2.gz XPOKYGJZYKKZQT-CYBMUJFWSA-N 1 1 361.442 3.443 20 5 FGBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](CCC2CC2)CC2CC2)c([N+](=O)[O-])c1 ZINC000595872346 507720788 /nfs/dbraw/zinc/72/07/88/507720788.db2.gz WBOUWHKRVWLURL-ZDUSSCGKSA-N 1 1 361.442 3.443 20 5 FGBDMO Cc1cc(Nc2cc(N)c([N+](=O)[O-])c(CO)c2)c[nH+]c1N1CCCC[C@@H]1C ZINC000588013899 507733404 /nfs/dbraw/zinc/73/34/04/507733404.db2.gz ZZWYZMMOOIBWGN-ZDUSSCGKSA-N 1 1 371.441 3.495 20 5 FGBDMO COC(=O)c1cnc([C@@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)s1 ZINC000595913771 507741238 /nfs/dbraw/zinc/74/12/38/507741238.db2.gz JVORFZPPHQUUQR-CYBMUJFWSA-N 1 1 361.423 3.218 20 5 FGBDMO COC(=O)c1cnc([C@H]2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)s1 ZINC000595913353 507741282 /nfs/dbraw/zinc/74/12/82/507741282.db2.gz SRPBODYQOJHJJK-ZDUSSCGKSA-N 1 1 361.423 3.218 20 5 FGBDMO COC(=O)c1cnc([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000595913624 507741306 /nfs/dbraw/zinc/74/13/06/507741306.db2.gz IUADNWMYAKVOLL-ZDUSSCGKSA-N 1 1 361.423 3.218 20 5 FGBDMO O=C(c1ccccc1)c1ccc(N[C@@H]2CCc3c[nH+]cn3C2)c([N+](=O)[O-])c1 ZINC000588067723 507750866 /nfs/dbraw/zinc/75/08/66/507750866.db2.gz LDBNCTSVTMYQHZ-MRXNPFEDSA-N 1 1 362.389 3.449 20 5 FGBDMO O=[N+]([O-])c1ccsc1N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000588070552 507751705 /nfs/dbraw/zinc/75/17/05/507751705.db2.gz ZNOZLOSRJUMMJK-QGZVFWFLSA-N 1 1 372.494 3.053 20 5 FGBDMO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@@H]1CCCCNC1=O ZINC000123898425 700711690 /nfs/dbraw/zinc/71/16/90/700711690.db2.gz WCGLBXRVNYCOJC-MRXNPFEDSA-N 1 1 359.451 3.424 20 5 FGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)c1 ZINC000128487036 700775729 /nfs/dbraw/zinc/77/57/29/700775729.db2.gz HPEXXPGGHCEQMV-WBVHZDCISA-N 1 1 362.813 3.435 20 5 FGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)c1 ZINC000128487036 700775730 /nfs/dbraw/zinc/77/57/30/700775730.db2.gz HPEXXPGGHCEQMV-WBVHZDCISA-N 1 1 362.813 3.435 20 5 FGBDMO CCS[C@H]1CCCC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000172911420 705435333 /nfs/dbraw/zinc/43/53/33/705435333.db2.gz HCYWZNFEJYLXAZ-HNNXBMFYSA-N 1 1 361.471 3.418 20 5 FGBDMO CCS[C@H]1CCCC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000172911420 705435336 /nfs/dbraw/zinc/43/53/36/705435336.db2.gz HCYWZNFEJYLXAZ-HNNXBMFYSA-N 1 1 361.471 3.418 20 5 FGBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000457104799 714064511 /nfs/dbraw/zinc/06/45/11/714064511.db2.gz BVVFXHGDRFVQLC-GFCCVEGCSA-N 1 1 359.348 3.168 20 5 FGBDMO O=C1[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCN1c1cccc(Cl)c1 ZINC000749927360 722748103 /nfs/dbraw/zinc/74/81/03/722748103.db2.gz VLFBWMPWZALBOH-ZDUSSCGKSA-N 1 1 351.815 3.205 20 5 FGBDMO CC(C)[N@@H+]1CCO[C@H](COC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000802137498 724359456 /nfs/dbraw/zinc/35/94/56/724359456.db2.gz SKLNHNGUNUSYFJ-AWEZNQCLSA-N 1 1 364.423 3.076 20 5 FGBDMO CC(C)[N@H+]1CCO[C@H](COC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000802137498 724359460 /nfs/dbraw/zinc/35/94/60/724359460.db2.gz SKLNHNGUNUSYFJ-AWEZNQCLSA-N 1 1 364.423 3.076 20 5 FGBDMO CC(C)[N@@H+]1CCO[C@@H](COC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000802137499 724359782 /nfs/dbraw/zinc/35/97/82/724359782.db2.gz SKLNHNGUNUSYFJ-CQSZACIVSA-N 1 1 364.423 3.076 20 5 FGBDMO CC(C)[N@H+]1CCO[C@@H](COC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000802137499 724359785 /nfs/dbraw/zinc/35/97/85/724359785.db2.gz SKLNHNGUNUSYFJ-CQSZACIVSA-N 1 1 364.423 3.076 20 5 FGBDMO Cc1ccc(N[C@@H]2CCn3cc[nH+]c3C2)c([N+](=O)[O-])c1Br ZINC000804623542 724535106 /nfs/dbraw/zinc/53/51/06/724535106.db2.gz BSTVJCKCNKSCJV-SNVBAGLBSA-N 1 1 351.204 3.289 20 5 FGBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000732575820 722486219 /nfs/dbraw/zinc/48/62/19/722486219.db2.gz NOYNLFBSXUVWRB-ZDUSSCGKSA-N 1 1 353.850 3.490 20 5 FGBDMO COc1ccc(C[NH2+]Cc2ccc(Br)cn2)cc1[N+](=O)[O-] ZINC000733797922 722500964 /nfs/dbraw/zinc/50/09/64/722500964.db2.gz FOVIQQQWRDPACV-UHFFFAOYSA-N 1 1 352.188 3.051 20 5 FGBDMO C[C@@H]1C[N@H+](C[C@H]2CCCN2Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H](C)O1 ZINC000735490913 722516785 /nfs/dbraw/zinc/51/67/85/722516785.db2.gz VCRAXIJELCBOED-JKIFEVAISA-N 1 1 367.877 3.322 20 5 FGBDMO O=[N+]([O-])c1nn(C[N@H+](CCc2ccccc2)C2CC2)cc1Br ZINC000746025099 722592522 /nfs/dbraw/zinc/59/25/22/722592522.db2.gz JSMBJUGSSACOGY-UHFFFAOYSA-N 1 1 365.231 3.218 20 5 FGBDMO O=[N+]([O-])c1nn(C[N@@H+](CCc2ccccc2)C2CC2)cc1Br ZINC000746025099 722592523 /nfs/dbraw/zinc/59/25/23/722592523.db2.gz JSMBJUGSSACOGY-UHFFFAOYSA-N 1 1 365.231 3.218 20 5 FGBDMO CC[N@@H+](CCc1cccs1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000746070682 722592998 /nfs/dbraw/zinc/59/29/98/722592998.db2.gz WEAAAYBYRBUSIF-UHFFFAOYSA-N 1 1 357.439 3.437 20 5 FGBDMO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000749893221 722746431 /nfs/dbraw/zinc/74/64/31/722746431.db2.gz HXGWMCMJDHVLTF-UHFFFAOYSA-N 1 1 359.813 3.036 20 5 FGBDMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000749893221 722746432 /nfs/dbraw/zinc/74/64/32/722746432.db2.gz HXGWMCMJDHVLTF-UHFFFAOYSA-N 1 1 359.813 3.036 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000758271731 722987420 /nfs/dbraw/zinc/98/74/20/722987420.db2.gz HHMSQGUWMGYBDY-IAGOWNOFSA-N 1 1 356.451 3.327 20 5 FGBDMO C[C@H](CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000790538045 723151146 /nfs/dbraw/zinc/15/11/46/723151146.db2.gz AVCYFZKXMPXPFP-VXGBXAGGSA-N 1 1 371.840 3.166 20 5 FGBDMO C[N@@H+](CCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C1CCCCC1 ZINC000790539051 723151162 /nfs/dbraw/zinc/15/11/62/723151162.db2.gz MMOJQDVNRZNUFX-UHFFFAOYSA-N 1 1 371.840 3.311 20 5 FGBDMO COCC(C)(C)C[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000793611447 723454839 /nfs/dbraw/zinc/45/48/39/723454839.db2.gz GQBJRGRITXZPSW-UHFFFAOYSA-N 1 1 357.248 3.388 20 5 FGBDMO COCC(C)(C)C[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000793611447 723454842 /nfs/dbraw/zinc/45/48/42/723454842.db2.gz GQBJRGRITXZPSW-UHFFFAOYSA-N 1 1 357.248 3.388 20 5 FGBDMO COC(=O)c1cc([N+](=O)[O-])c(N(C)CC[C@H]2CCCC[N@H+]2C)cc1Cl ZINC000765511335 723519215 /nfs/dbraw/zinc/51/92/15/723519215.db2.gz WTGKAPHTHYTOQQ-GFCCVEGCSA-N 1 1 369.849 3.345 20 5 FGBDMO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-n2cnnn2)cc1 ZINC000773037926 723775007 /nfs/dbraw/zinc/77/50/07/723775007.db2.gz WINIQLNYFSZMHC-LLVKDONJSA-N 1 1 358.789 3.075 20 5 FGBDMO CC[N@@H+]1CCCC[C@@H]1C(=O)OCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000773425309 723784489 /nfs/dbraw/zinc/78/44/89/723784489.db2.gz LQCNWSVQAMCDGJ-CYBMUJFWSA-N 1 1 371.231 3.275 20 5 FGBDMO CC[N@H+]1CCCC[C@@H]1C(=O)OCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000773425309 723784491 /nfs/dbraw/zinc/78/44/91/723784491.db2.gz LQCNWSVQAMCDGJ-CYBMUJFWSA-N 1 1 371.231 3.275 20 5 FGBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000784484375 724857465 /nfs/dbraw/zinc/85/74/65/724857465.db2.gz YTZICJJHRDAPDB-CYBMUJFWSA-N 1 1 354.332 3.300 20 5 FGBDMO Cc1[nH+]ccn1CCCCOC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000785947894 724951088 /nfs/dbraw/zinc/95/10/88/724951088.db2.gz IDZWQVYGVJKKIX-UHFFFAOYSA-N 1 1 351.790 3.319 20 5 FGBDMO C[C@@H]1C[N@H+](CCCNc2cccc(Br)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000820617262 729011229 /nfs/dbraw/zinc/01/12/29/729011229.db2.gz QPGAVBWGKGIHEA-TXEJJXNPSA-N 1 1 372.263 3.269 20 5 FGBDMO CC[N@@H+](CCNC(=O)c1c(C)ccc([N+](=O)[O-])c1C)CCC(F)(F)F ZINC000822418976 729173297 /nfs/dbraw/zinc/17/32/97/729173297.db2.gz FADPZMDBFIRNAX-UHFFFAOYSA-N 1 1 361.364 3.216 20 5 FGBDMO CC(C)(C[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1)C(N)=O ZINC000824608166 729350331 /nfs/dbraw/zinc/35/03/31/729350331.db2.gz BTUYVEYXLMNXJP-LBPRGKRZSA-N 1 1 353.850 3.362 20 5 FGBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC[C@H]21 ZINC000827254476 729427632 /nfs/dbraw/zinc/42/76/32/729427632.db2.gz PPDGUDDJWICLMK-TVQRCGJNSA-N 1 1 358.225 3.068 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000827285831 729428067 /nfs/dbraw/zinc/42/80/67/729428067.db2.gz BCKIQEQFIDFPRR-BBRMVZONSA-N 1 1 363.483 3.262 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000827287239 729428123 /nfs/dbraw/zinc/42/81/23/729428123.db2.gz JXQYSNMMVIOJNR-XJKSGUPXSA-N 1 1 363.483 3.263 20 5 FGBDMO C[C@@H]1Cc2[nH+]cn(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c2C[C@@H]1C ZINC000830918689 729601891 /nfs/dbraw/zinc/60/18/91/729601891.db2.gz IOKHXDJGXKIUTE-MNOVXSKESA-N 1 1 362.817 3.454 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)cc1Cl ZINC000836529681 729959419 /nfs/dbraw/zinc/95/94/19/729959419.db2.gz SZRWBJQMDAHCBM-ZDUSSCGKSA-N 1 1 353.850 3.407 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1Cl ZINC000836790882 729970046 /nfs/dbraw/zinc/97/00/46/729970046.db2.gz WFRCUGHUOOLGER-QGZVFWFLSA-N 1 1 351.834 3.115 20 5 FGBDMO CCCC[N@@H+](Cn1nc(C)c([N+](=O)[O-])c1C)[C@@H]1CCc2ncsc2C1 ZINC000842646035 730524286 /nfs/dbraw/zinc/52/42/86/730524286.db2.gz FARJJDKASFWSFY-CQSZACIVSA-N 1 1 363.487 3.482 20 5 FGBDMO O=[N+]([O-])c1cc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1Br ZINC000843125840 730589000 /nfs/dbraw/zinc/58/90/00/730589000.db2.gz JJPHSCAFPJSBPT-KGLIPLIRSA-N 1 1 368.275 3.179 20 5 FGBDMO C[C@@H]1[C@H](COC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@H+]1C ZINC000845815501 730898904 /nfs/dbraw/zinc/89/89/04/730898904.db2.gz FQEZSJWNADJAFI-YPMHNXCESA-N 1 1 361.423 3.215 20 5 FGBDMO Cc1cc(Cl)c(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000847254749 731040818 /nfs/dbraw/zinc/04/08/18/731040818.db2.gz HIKZCEBSWWBJMY-GJZGRUSLSA-N 1 1 351.834 3.303 20 5 FGBDMO C[C@@H](CO)[C@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1Br ZINC000852427600 731582323 /nfs/dbraw/zinc/58/23/23/731582323.db2.gz NDEHVPULUAKETE-WCQYABFASA-N 1 1 357.248 3.340 20 5 FGBDMO C[C@@H](CO)[C@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1Br ZINC000852427600 731582328 /nfs/dbraw/zinc/58/23/28/731582328.db2.gz NDEHVPULUAKETE-WCQYABFASA-N 1 1 357.248 3.340 20 5 FGBDMO C[C@@H]1CCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)[C@@H]1CCO ZINC000852460456 731586797 /nfs/dbraw/zinc/58/67/97/731586797.db2.gz CTHDITTWJUVMSU-BXUZGUMPSA-N 1 1 357.248 3.340 20 5 FGBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)[C@@H]1CCO ZINC000852460456 731586801 /nfs/dbraw/zinc/58/68/01/731586801.db2.gz CTHDITTWJUVMSU-BXUZGUMPSA-N 1 1 357.248 3.340 20 5 FGBDMO CN(CC(C)(C)C[NH+]1CCOCC1)c1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000853455730 731705242 /nfs/dbraw/zinc/70/52/42/731705242.db2.gz HQCLKXURGDOPIZ-UHFFFAOYSA-N 1 1 357.401 3.327 20 5 FGBDMO O=[N+]([O-])c1cn(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)nc1-c1ccccn1 ZINC000853502367 731714302 /nfs/dbraw/zinc/71/43/02/731714302.db2.gz YFDXECFXADKROV-HOCLYGCPSA-N 1 1 359.455 3.171 20 5 FGBDMO O=[N+]([O-])c1cn(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)nc1-c1ccccn1 ZINC000853502367 731714304 /nfs/dbraw/zinc/71/43/04/731714304.db2.gz YFDXECFXADKROV-HOCLYGCPSA-N 1 1 359.455 3.171 20 5 FGBDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C2 ZINC000854735103 731857817 /nfs/dbraw/zinc/85/78/17/731857817.db2.gz JKBZJKIRXZDZQS-MRXNPFEDSA-N 1 1 372.252 3.460 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)cc1Cl ZINC000856476049 732031602 /nfs/dbraw/zinc/03/16/02/732031602.db2.gz LIVFRBAZFALFGZ-CQSZACIVSA-N 1 1 365.861 3.408 20 5 FGBDMO CN(c1cccc(Br)c1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000856759147 732055407 /nfs/dbraw/zinc/05/54/07/732055407.db2.gz XQUKLCLCJHAAKQ-FOSCPWQOSA-N 1 1 354.248 3.419 20 5 FGBDMO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000858292473 732200993 /nfs/dbraw/zinc/20/09/93/732200993.db2.gz JIPWIUPSNRYOIG-OAHLLOKOSA-N 1 1 366.849 3.064 20 5 FGBDMO C[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C2(CCCCC2)C1 ZINC000859748666 732387771 /nfs/dbraw/zinc/38/77/71/732387771.db2.gz KXSUEBVHKGYTHG-UHFFFAOYSA-N 1 1 351.834 3.339 20 5 FGBDMO C[N@H+]1CCCC[C@H](CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000862793827 732876834 /nfs/dbraw/zinc/87/68/34/732876834.db2.gz TWUUDDRIXQFLGO-SNVBAGLBSA-N 1 1 360.241 3.363 20 5 FGBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000872088848 735586925 /nfs/dbraw/zinc/58/69/25/735586925.db2.gz RNUFCPVVKBANDT-CJNGLKHVSA-N 1 1 365.499 3.221 20 5 FGBDMO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872085946 735587021 /nfs/dbraw/zinc/58/70/21/735587021.db2.gz QXZBISPHNZMADO-GFCCVEGCSA-N 1 1 358.435 3.132 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000874831834 735936530 /nfs/dbraw/zinc/93/65/30/735936530.db2.gz BBOIVNIHHNJZFN-HOTGVXAUSA-N 1 1 363.483 3.406 20 5 FGBDMO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H](c3nccs3)c3ccccc3)C2)c1 ZINC000876993755 736172512 /nfs/dbraw/zinc/17/25/12/736172512.db2.gz OYESHUZBAHWYOY-ZBCRRDGASA-N 1 1 355.423 3.331 20 5 FGBDMO CC(C)(O)[C@@H]1CCC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000877797046 736723231 /nfs/dbraw/zinc/72/32/31/736723231.db2.gz OZSAVIXDKBHMHF-LLVKDONJSA-N 1 1 357.248 3.340 20 5 FGBDMO CC(C)(O)[C@@H]1CCC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000877797046 736723236 /nfs/dbraw/zinc/72/32/36/736723236.db2.gz OZSAVIXDKBHMHF-LLVKDONJSA-N 1 1 357.248 3.340 20 5 FGBDMO C[N@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C[C@H]1CCCOC1 ZINC000878086702 736768427 /nfs/dbraw/zinc/76/84/27/736768427.db2.gz RUZWCVPALFRYHN-LLVKDONJSA-N 1 1 366.805 3.157 20 5 FGBDMO C[C@H]1C[NH+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C[C@H](C)C1(F)F ZINC000879030861 736948204 /nfs/dbraw/zinc/94/82/04/736948204.db2.gz PFQNXJHXCZVLEY-QWRGUYRKSA-N 1 1 352.341 3.368 20 5 FGBDMO Cc1csc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000880007698 737097845 /nfs/dbraw/zinc/09/78/45/737097845.db2.gz LDRPHLBZRCPJKZ-QWHCGFSZSA-N 1 1 360.439 3.176 20 5 FGBDMO Cc1csc([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000880007698 737097849 /nfs/dbraw/zinc/09/78/49/737097849.db2.gz LDRPHLBZRCPJKZ-QWHCGFSZSA-N 1 1 360.439 3.176 20 5 FGBDMO Cc1csc(C[C@H]2CCC[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000886692360 739285149 /nfs/dbraw/zinc/28/51/49/739285149.db2.gz XCWVRKJFQWKQPL-RHSMWYFYSA-N 1 1 361.467 3.348 20 5 FGBDMO O=[N+]([O-])c1cccc(C[N@@H+](C2CC2)[C@@H]2CCC3(C[C@H]2F)OCCO3)c1 ZINC000891622619 739921504 /nfs/dbraw/zinc/92/15/04/739921504.db2.gz HVLHFHFDLBZLEW-IAGOWNOFSA-N 1 1 350.390 3.193 20 5 FGBDMO CC(C)(C)OC(=O)NC1CC[NH+](CCNc2ccsc2[N+](=O)[O-])CC1 ZINC000895490668 742419149 /nfs/dbraw/zinc/41/91/49/742419149.db2.gz CBMIQVYYEITNAV-UHFFFAOYSA-N 1 1 370.475 3.057 20 5 FGBDMO O=[N+]([O-])c1ccc(Br)cc1NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000896521181 742561474 /nfs/dbraw/zinc/56/14/74/742561474.db2.gz HSVWVYAONRGYMH-ZDUSSCGKSA-N 1 1 370.247 3.023 20 5 FGBDMO C[N@@H+]1CC=C(CNC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC1 ZINC000897310444 742667005 /nfs/dbraw/zinc/66/70/05/742667005.db2.gz TZZWUCKPYKLPSR-UHFFFAOYSA-N 1 1 362.188 3.032 20 5 FGBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000907929370 744247751 /nfs/dbraw/zinc/24/77/51/744247751.db2.gz HURBTHVNOMDQMQ-CQSZACIVSA-N 1 1 353.850 3.124 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000916067594 758032300 /nfs/dbraw/zinc/03/23/00/758032300.db2.gz VVVQEJLBMILUIQ-BETUJISGSA-N 1 1 353.850 3.346 20 5 FGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927102300 759891803 /nfs/dbraw/zinc/89/18/03/759891803.db2.gz JBLCXZNHCYJEJJ-XJKSGUPXSA-N 1 1 365.499 3.221 20 5 FGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000927102300 759891814 /nfs/dbraw/zinc/89/18/14/759891814.db2.gz JBLCXZNHCYJEJJ-XJKSGUPXSA-N 1 1 365.499 3.221 20 5 FGBDMO CC[N@@H+]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)sc2C1 ZINC000097634297 210242395 /nfs/dbraw/zinc/24/23/95/210242395.db2.gz UBYRSZOUWPODHA-UHFFFAOYSA-N 1 1 366.830 3.335 20 5 FGBDMO CC[N@H+]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)sc2C1 ZINC000097634297 210242397 /nfs/dbraw/zinc/24/23/97/210242397.db2.gz UBYRSZOUWPODHA-UHFFFAOYSA-N 1 1 366.830 3.335 20 5 FGBDMO CC(C)[N@H+]1CC[C@@H](N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C2CC2)C1 ZINC000568103531 505617453 /nfs/dbraw/zinc/61/74/53/505617453.db2.gz ZZBSFQRURAATIX-QGZVFWFLSA-N 1 1 370.457 3.107 20 5 FGBDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000068271170 493787961 /nfs/dbraw/zinc/78/79/61/493787961.db2.gz ZKKGBNGRDUHRPW-UHFFFAOYSA-N 1 1 355.438 3.294 20 5 FGBDMO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000081293584 493862486 /nfs/dbraw/zinc/86/24/86/493862486.db2.gz GRINBVFOWYRTGP-AWEZNQCLSA-N 1 1 351.834 3.243 20 5 FGBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])C1 ZINC000081362069 493878632 /nfs/dbraw/zinc/87/86/32/493878632.db2.gz BDKXQKUSOBBFHF-ZDUSSCGKSA-N 1 1 351.472 3.121 20 5 FGBDMO Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000076386861 493881395 /nfs/dbraw/zinc/88/13/95/493881395.db2.gz LCLJPPFUJLHXHH-WMLDXEAASA-N 1 1 353.422 3.380 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000076388933 493882188 /nfs/dbraw/zinc/88/21/88/493882188.db2.gz IFVWRUYTESYBRD-HNNXBMFYSA-N 1 1 371.412 3.471 20 5 FGBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000058898922 493891550 /nfs/dbraw/zinc/89/15/50/493891550.db2.gz DTZCHMFIFOWEQL-CQSZACIVSA-N 1 1 358.442 3.318 20 5 FGBDMO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]2CN2CCCCC2)cccc1[N+](=O)[O-] ZINC000069078677 493917545 /nfs/dbraw/zinc/91/75/45/493917545.db2.gz SEBMSYXSBGOQLW-QGZVFWFLSA-N 1 1 374.485 3.182 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]2CN2CCCCC2)cccc1[N+](=O)[O-] ZINC000069078677 493917549 /nfs/dbraw/zinc/91/75/49/493917549.db2.gz SEBMSYXSBGOQLW-QGZVFWFLSA-N 1 1 374.485 3.182 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C1(c2nccs2)CCCC1 ZINC000081594873 493925307 /nfs/dbraw/zinc/92/53/07/493925307.db2.gz ZWKPGCJSFVTZTJ-UHFFFAOYSA-N 1 1 360.439 3.357 20 5 FGBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000031766582 493960221 /nfs/dbraw/zinc/96/02/21/493960221.db2.gz VCBNJYNSQQYMHB-UHFFFAOYSA-N 1 1 353.422 3.251 20 5 FGBDMO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000007266230 494011839 /nfs/dbraw/zinc/01/18/39/494011839.db2.gz SCCTVUPFWSIIHX-ZDUSSCGKSA-N 1 1 373.409 3.071 20 5 FGBDMO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000007266230 494011844 /nfs/dbraw/zinc/01/18/44/494011844.db2.gz SCCTVUPFWSIIHX-ZDUSSCGKSA-N 1 1 373.409 3.071 20 5 FGBDMO COc1ccc(C)cc1C[NH+]1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000007366622 494018893 /nfs/dbraw/zinc/01/88/93/494018893.db2.gz DCANGYKJCZHFII-UHFFFAOYSA-N 1 1 359.401 3.373 20 5 FGBDMO CC(C)(C)[N@H+]1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000063727226 494080707 /nfs/dbraw/zinc/08/07/07/494080707.db2.gz LOFYEOPUZFVUEP-UHFFFAOYSA-N 1 1 360.458 3.116 20 5 FGBDMO COc1ccccc1CNC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350556 494116031 /nfs/dbraw/zinc/11/60/31/494116031.db2.gz WGRKZEYCOYMLHK-UHFFFAOYSA-N 1 1 371.437 3.130 20 5 FGBDMO COc1ccccc1CNC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350556 494116035 /nfs/dbraw/zinc/11/60/35/494116035.db2.gz WGRKZEYCOYMLHK-UHFFFAOYSA-N 1 1 371.437 3.130 20 5 FGBDMO CC(C)[N@H+](CC(=O)N1CCc2ccccc21)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350543 494116305 /nfs/dbraw/zinc/11/63/05/494116305.db2.gz XCUQYNRJDDUVCP-UHFFFAOYSA-N 1 1 353.422 3.395 20 5 FGBDMO CC(C)[N@@H+](CC(=O)N1CCc2ccccc21)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350543 494116308 /nfs/dbraw/zinc/11/63/08/494116308.db2.gz XCUQYNRJDDUVCP-UHFFFAOYSA-N 1 1 353.422 3.395 20 5 FGBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000053405242 494126888 /nfs/dbraw/zinc/12/68/88/494126888.db2.gz ZABGWWUUPZWETG-ZDUSSCGKSA-N 1 1 358.442 3.316 20 5 FGBDMO Cc1ccccc1OCCC[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000053722514 494162086 /nfs/dbraw/zinc/16/20/86/494162086.db2.gz YMYRMHNWJSSJND-UHFFFAOYSA-N 1 1 371.437 3.267 20 5 FGBDMO Cc1ccccc1OCCC[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000053722514 494162088 /nfs/dbraw/zinc/16/20/88/494162088.db2.gz YMYRMHNWJSSJND-UHFFFAOYSA-N 1 1 371.437 3.267 20 5 FGBDMO Cc1c(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000054226023 494208434 /nfs/dbraw/zinc/20/84/34/494208434.db2.gz LRKWHLLQZDSVGQ-RDJZCZTQSA-N 1 1 353.422 3.469 20 5 FGBDMO Cc1cccc(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000054227570 494210340 /nfs/dbraw/zinc/21/03/40/494210340.db2.gz PBZAJWRVGIDWEX-DOTOQJQBSA-N 1 1 353.422 3.469 20 5 FGBDMO C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000072722694 494241863 /nfs/dbraw/zinc/24/18/63/494241863.db2.gz WBTJDHFGSPAPRE-YVEFUNNKSA-N 1 1 357.385 3.416 20 5 FGBDMO Cc1ccc(N2CCC(Nc3nc4sccn4c3[N+](=O)[O-])CC2)[nH+]c1 ZINC000078305519 494274635 /nfs/dbraw/zinc/27/46/35/494274635.db2.gz XGAJAUPBXDQAPK-UHFFFAOYSA-N 1 1 358.427 3.088 20 5 FGBDMO CCc1cc(N2CC[C@H](C[N@H+](C)CC)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000078583824 494323862 /nfs/dbraw/zinc/32/38/62/494323862.db2.gz QZEGFZVXGAOIPS-OAHLLOKOSA-N 1 1 369.469 3.392 20 5 FGBDMO Cc1cccc(OCC[N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000015100247 494338927 /nfs/dbraw/zinc/33/89/27/494338927.db2.gz VYRKGGAWPVCCIA-UHFFFAOYSA-N 1 1 357.410 3.161 20 5 FGBDMO Cc1cccc(OCC[N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000015100247 494338931 /nfs/dbraw/zinc/33/89/31/494338931.db2.gz VYRKGGAWPVCCIA-UHFFFAOYSA-N 1 1 357.410 3.161 20 5 FGBDMO C[N@@H+](Cc1ccccc1NC(=O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000044695292 494376073 /nfs/dbraw/zinc/37/60/73/494376073.db2.gz WGSOQZSZKWBZPH-UHFFFAOYSA-N 1 1 371.441 3.195 20 5 FGBDMO C[C@@H](C[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000066853759 494426383 /nfs/dbraw/zinc/42/63/83/494426383.db2.gz BVVSTOQKZRBSNW-HNNXBMFYSA-N 1 1 353.422 3.219 20 5 FGBDMO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090522231 494477437 /nfs/dbraw/zinc/47/74/37/494477437.db2.gz USYOZNAFOBXJPK-OALUTQOASA-N 1 1 355.438 3.415 20 5 FGBDMO CC[C@H](NC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000090586382 494484668 /nfs/dbraw/zinc/48/46/68/494484668.db2.gz NGFPPMTTYUGHON-YJBOKZPZSA-N 1 1 360.458 3.362 20 5 FGBDMO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000079686298 494507436 /nfs/dbraw/zinc/50/74/36/494507436.db2.gz SJQNNZPAUUQPBI-QAPCUYQASA-N 1 1 353.422 3.378 20 5 FGBDMO C[C@@H]1C[N@H+](Cc2ccc(CNc3ccc([N+](=O)[O-])nc3)cc2)C[C@H](C)O1 ZINC000079882415 494542060 /nfs/dbraw/zinc/54/20/60/494542060.db2.gz KKFNQDLRXRSLQB-GASCZTMLSA-N 1 1 356.426 3.211 20 5 FGBDMO Cc1nn(C)c(NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000079905798 494546953 /nfs/dbraw/zinc/54/69/53/494546953.db2.gz OABVEIOMKKVCDV-CQSZACIVSA-N 1 1 357.458 3.481 20 5 FGBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000067536235 494560554 /nfs/dbraw/zinc/56/05/54/494560554.db2.gz VPFZXIVYNDYNMQ-UHFFFAOYSA-N 1 1 370.453 3.434 20 5 FGBDMO C[C@@H]1C[C@@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000080231144 494644758 /nfs/dbraw/zinc/64/47/58/494644758.db2.gz RBEPGALKTVKBDK-PBHICJAKSA-N 1 1 368.437 3.159 20 5 FGBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000047187928 494651242 /nfs/dbraw/zinc/65/12/42/494651242.db2.gz XGCVVXKUYGHWKJ-HNNXBMFYSA-N 1 1 374.485 3.411 20 5 FGBDMO Cc1ccc(CN2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000092587172 494677954 /nfs/dbraw/zinc/67/79/54/494677954.db2.gz RKNQFMIMNIIWAM-IAGOWNOFSA-N 1 1 361.486 3.224 20 5 FGBDMO CCOc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)cc1[N+](=O)[O-] ZINC000047385561 494695204 /nfs/dbraw/zinc/69/52/04/494695204.db2.gz ILXJDDVOTOQPNF-UHFFFAOYSA-N 1 1 367.365 3.135 20 5 FGBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)ccc1Cl ZINC000131763148 494723247 /nfs/dbraw/zinc/72/32/47/494723247.db2.gz ZZCZHLMQBWJIJR-CQSZACIVSA-N 1 1 354.834 3.266 20 5 FGBDMO O=C1C[C@@H](c2ccccc2)[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCN1 ZINC000092075442 494781075 /nfs/dbraw/zinc/78/10/75/494781075.db2.gz FKTYAEUHLMNHNM-IUYMFKLXSA-N 1 1 351.406 3.171 20 5 FGBDMO Cc1cc(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000025897617 494786601 /nfs/dbraw/zinc/78/66/01/494786601.db2.gz LWPPRALWHIZGRT-UHFFFAOYSA-N 1 1 367.449 3.470 20 5 FGBDMO CN(CCC[N@@H+](C)Cc1ccco1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000577525546 505744775 /nfs/dbraw/zinc/74/47/75/505744775.db2.gz FBPSUSQAVVJPLJ-UHFFFAOYSA-N 1 1 353.369 3.420 20 5 FGBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000126767064 494834864 /nfs/dbraw/zinc/83/48/64/494834864.db2.gz WJBATMBCTLIOKM-JTQLQIEISA-N 1 1 370.331 3.185 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1ccccc1)[C@H](C)CCO ZINC000093304521 494865161 /nfs/dbraw/zinc/86/51/61/494865161.db2.gz JROXWVSANGJPRV-MRXNPFEDSA-N 1 1 371.437 3.115 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1ccccc1)[C@H](C)CCO ZINC000093304521 494865164 /nfs/dbraw/zinc/86/51/64/494865164.db2.gz JROXWVSANGJPRV-MRXNPFEDSA-N 1 1 371.437 3.115 20 5 FGBDMO COCCOC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000116884862 494865922 /nfs/dbraw/zinc/86/59/22/494865922.db2.gz SPZBRZYFTLAXLN-UHFFFAOYSA-N 1 1 352.431 3.009 20 5 FGBDMO Cc1cccc(N2CCC(NC(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)[nH+]1 ZINC000116997530 494881266 /nfs/dbraw/zinc/88/12/66/494881266.db2.gz XSHNJQOGLIITBF-UHFFFAOYSA-N 1 1 369.425 3.397 20 5 FGBDMO COc1cc(C[N@@H+](C)CC(C)(C)O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000093414739 494889119 /nfs/dbraw/zinc/88/91/19/494889119.db2.gz AMXOSKKPLFSGGM-UHFFFAOYSA-N 1 1 374.437 3.385 20 5 FGBDMO Cc1[nH+]ccn1CCCN(C)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000121945853 494895811 /nfs/dbraw/zinc/89/58/11/494895811.db2.gz MGWSRUXTYJFLGR-CQSZACIVSA-N 1 1 359.430 3.201 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000093586152 494901761 /nfs/dbraw/zinc/90/17/61/494901761.db2.gz KZGSSUACMRZBGV-DYVFJYSZSA-N 1 1 356.369 3.323 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000093586152 494901764 /nfs/dbraw/zinc/90/17/64/494901764.db2.gz KZGSSUACMRZBGV-DYVFJYSZSA-N 1 1 356.369 3.323 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)[C@H](C)C1 ZINC000093639761 494907408 /nfs/dbraw/zinc/90/74/08/494907408.db2.gz NQFBODOTRPXOAE-IUODEOHRSA-N 1 1 357.401 3.358 20 5 FGBDMO CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000093687998 494912053 /nfs/dbraw/zinc/91/20/53/494912053.db2.gz BDLPIRVGQUPEQJ-KRWDZBQOSA-N 1 1 374.437 3.385 20 5 FGBDMO CC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000093687998 494912055 /nfs/dbraw/zinc/91/20/55/494912055.db2.gz BDLPIRVGQUPEQJ-KRWDZBQOSA-N 1 1 374.437 3.385 20 5 FGBDMO CC(C)CCSc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000110651593 494998532 /nfs/dbraw/zinc/99/85/32/494998532.db2.gz GHIHIGZSOXGCGW-AWEZNQCLSA-N 1 1 365.499 3.415 20 5 FGBDMO C[C@H](c1ccc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000110722163 495003371 /nfs/dbraw/zinc/00/33/71/495003371.db2.gz DKCJFFGPVVYUIR-CYBMUJFWSA-N 1 1 373.384 3.379 20 5 FGBDMO NC(=O)CC[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000122699084 495018429 /nfs/dbraw/zinc/01/84/29/495018429.db2.gz GQLBNSHMQXMAQN-CQSZACIVSA-N 1 1 357.410 3.332 20 5 FGBDMO C[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000110966937 495026339 /nfs/dbraw/zinc/02/63/39/495026339.db2.gz AETPXKBYHMNHFC-CYBMUJFWSA-N 1 1 361.829 3.499 20 5 FGBDMO CCC[N@H+]1CC[C@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000097257528 495029413 /nfs/dbraw/zinc/02/94/13/495029413.db2.gz BYZYROPEPGDNHC-LLVKDONJSA-N 1 1 372.372 3.050 20 5 FGBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000122852238 495040647 /nfs/dbraw/zinc/04/06/47/495040647.db2.gz HJILDWXLSVASAG-OAHLLOKOSA-N 1 1 374.485 3.173 20 5 FGBDMO CC(C)[N@H+](CC(=O)Nc1ccc2c(c1)OCO2)Cc1ccc([N+](=O)[O-])cc1 ZINC000098135206 495060950 /nfs/dbraw/zinc/06/09/50/495060950.db2.gz KEJILRGHKNDJHI-UHFFFAOYSA-N 1 1 371.393 3.173 20 5 FGBDMO CC(C)[N@@H+](CC(=O)Nc1ccc2c(c1)OCO2)Cc1ccc([N+](=O)[O-])cc1 ZINC000098135206 495060953 /nfs/dbraw/zinc/06/09/53/495060953.db2.gz KEJILRGHKNDJHI-UHFFFAOYSA-N 1 1 371.393 3.173 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000123007292 495066734 /nfs/dbraw/zinc/06/67/34/495066734.db2.gz AXSAUJIKNYNGGS-GUYCJALGSA-N 1 1 374.441 3.084 20 5 FGBDMO CC[N@@H+](C)Cc1cccc(CNc2ccc([N+](=O)[O-])cc2C(=O)NC)c1 ZINC000112076244 495142450 /nfs/dbraw/zinc/14/24/50/495142450.db2.gz VRXDCFJHYJLVKJ-UHFFFAOYSA-N 1 1 356.426 3.018 20 5 FGBDMO CC[C@H](O)C[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccccc1 ZINC000134479039 495156040 /nfs/dbraw/zinc/15/60/40/495156040.db2.gz CMVBYRGHCUZBKV-SFHVURJKSA-N 1 1 371.437 3.115 20 5 FGBDMO CC[C@H](O)C[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccccc1 ZINC000134479039 495156045 /nfs/dbraw/zinc/15/60/45/495156045.db2.gz CMVBYRGHCUZBKV-SFHVURJKSA-N 1 1 371.437 3.115 20 5 FGBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000112360354 495180154 /nfs/dbraw/zinc/18/01/54/495180154.db2.gz YGRNMMCRHGHBJD-SFHVURJKSA-N 1 1 357.385 3.014 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000119557135 495190226 /nfs/dbraw/zinc/19/02/26/495190226.db2.gz HPNNPBBCLXFYRR-HNAYVOBHSA-N 1 1 353.422 3.154 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000119732671 495228952 /nfs/dbraw/zinc/22/89/52/495228952.db2.gz JFHKITPBCGUCKR-CJNGLKHVSA-N 1 1 373.840 3.499 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000124086151 495231955 /nfs/dbraw/zinc/23/19/55/495231955.db2.gz HLJBOWZZBPIQME-MRXNPFEDSA-N 1 1 369.421 3.107 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000124086151 495231958 /nfs/dbraw/zinc/23/19/58/495231958.db2.gz HLJBOWZZBPIQME-MRXNPFEDSA-N 1 1 369.421 3.107 20 5 FGBDMO Cc1cccc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000119771170 495237383 /nfs/dbraw/zinc/23/73/83/495237383.db2.gz FZLUPFCQJXQPEI-YJBOKZPZSA-N 1 1 353.422 3.154 20 5 FGBDMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000103469972 495237419 /nfs/dbraw/zinc/23/74/19/495237419.db2.gz RNJVOICNWCOGDJ-UONOGXRCSA-N 1 1 351.422 3.251 20 5 FGBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000103615643 495250007 /nfs/dbraw/zinc/25/00/07/495250007.db2.gz NGXQVDJKWHGYML-HNNXBMFYSA-N 1 1 350.463 3.245 20 5 FGBDMO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000135122295 495253631 /nfs/dbraw/zinc/25/36/31/495253631.db2.gz XQDVSOJYSYRRBI-AWEZNQCLSA-N 1 1 357.385 3.080 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000135122295 495253633 /nfs/dbraw/zinc/25/36/33/495253633.db2.gz XQDVSOJYSYRRBI-AWEZNQCLSA-N 1 1 357.385 3.080 20 5 FGBDMO C[N@H+]1CCC[C@H](CNC(=O)c2ccccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000129697593 495282685 /nfs/dbraw/zinc/28/26/85/495282685.db2.gz WEIWKOAFSASIJE-CXAGYDPISA-N 1 1 359.451 3.469 20 5 FGBDMO CCC[N@@H+](CCc1cccc(F)c1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000113266694 495291695 /nfs/dbraw/zinc/29/16/95/495291695.db2.gz HHCXITOTEYJJAD-UHFFFAOYSA-N 1 1 359.401 3.288 20 5 FGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000106150921 495421197 /nfs/dbraw/zinc/42/11/97/495421197.db2.gz FCBMNTNDQOKSCH-AWEZNQCLSA-N 1 1 371.441 3.124 20 5 FGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000106150921 495421198 /nfs/dbraw/zinc/42/11/98/495421198.db2.gz FCBMNTNDQOKSCH-AWEZNQCLSA-N 1 1 371.441 3.124 20 5 FGBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000140198511 495491085 /nfs/dbraw/zinc/49/10/85/495491085.db2.gz FOWXBNYOPKORDV-MRXNPFEDSA-N 1 1 373.478 3.227 20 5 FGBDMO CCC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@H]1CCCCO1 ZINC000106866126 495504164 /nfs/dbraw/zinc/50/41/64/495504164.db2.gz GTUAWKRYFWDBDP-MRXNPFEDSA-N 1 1 360.414 3.426 20 5 FGBDMO CCC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@H]1CCCCO1 ZINC000106866126 495504168 /nfs/dbraw/zinc/50/41/68/495504168.db2.gz GTUAWKRYFWDBDP-MRXNPFEDSA-N 1 1 360.414 3.426 20 5 FGBDMO Cc1nc(C)c([C@@H](C)[N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000106878962 495504797 /nfs/dbraw/zinc/50/47/97/495504797.db2.gz AVADKVRZHKKTTO-DOMZBBRYSA-N 1 1 365.455 3.101 20 5 FGBDMO CC(C)(C)C[C@H]1CCC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000141498642 495507234 /nfs/dbraw/zinc/50/72/34/495507234.db2.gz QJZOBQONGBAZJG-GFCCVEGCSA-N 1 1 363.414 3.163 20 5 FGBDMO C[C@H](c1ccccc1Br)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176220019 495550568 /nfs/dbraw/zinc/55/05/68/495550568.db2.gz KIIQZSSITUVETJ-LLVKDONJSA-N 1 1 353.220 3.247 20 5 FGBDMO C[C@H](c1ccccc1Br)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176220019 495550573 /nfs/dbraw/zinc/55/05/73/495550573.db2.gz KIIQZSSITUVETJ-LLVKDONJSA-N 1 1 353.220 3.247 20 5 FGBDMO C[C@H](CCNC(=O)Cc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000173598294 495605742 /nfs/dbraw/zinc/60/57/42/495605742.db2.gz UXRRDHIVIAXXHX-MRXNPFEDSA-N 1 1 355.438 3.164 20 5 FGBDMO C[C@H](CCNC(=O)COc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000173607109 495610663 /nfs/dbraw/zinc/61/06/63/495610663.db2.gz HHJUDIVDTWNTCL-MRXNPFEDSA-N 1 1 371.437 3.000 20 5 FGBDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000173652343 495634905 /nfs/dbraw/zinc/63/49/05/495634905.db2.gz LKSPSRUSQSMTKE-UHFFFAOYSA-N 1 1 355.438 3.294 20 5 FGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(CCCN2CCOCC2)CC1 ZINC000182957938 495774902 /nfs/dbraw/zinc/77/49/02/495774902.db2.gz ZDRACOMRPNQFRN-KRWDZBQOSA-N 1 1 361.486 3.480 20 5 FGBDMO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000155111231 495839810 /nfs/dbraw/zinc/83/98/10/495839810.db2.gz GNBPPBGAZRSZPO-LBPRGKRZSA-N 1 1 359.430 3.144 20 5 FGBDMO CC[C@@H](NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000151792265 495949159 /nfs/dbraw/zinc/94/91/59/495949159.db2.gz LAGRPFCNAWRBHM-NHCUHLMSSA-N 1 1 369.465 3.055 20 5 FGBDMO CC[C@@H](NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000151792265 495949168 /nfs/dbraw/zinc/94/91/68/495949168.db2.gz LAGRPFCNAWRBHM-NHCUHLMSSA-N 1 1 369.465 3.055 20 5 FGBDMO CCCn1nc(C)c(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c1C ZINC000160427958 495960476 /nfs/dbraw/zinc/96/04/76/495960476.db2.gz YDUVANXCLFCDJH-UHFFFAOYSA-N 1 1 357.458 3.140 20 5 FGBDMO O=C(C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)NCC1CC1 ZINC000180382733 495973793 /nfs/dbraw/zinc/97/37/93/495973793.db2.gz NBHKMEUWUXLUEN-UHFFFAOYSA-N 1 1 363.801 3.124 20 5 FGBDMO C[C@H](c1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1)[NH+]1CCOCC1 ZINC000171808527 496044391 /nfs/dbraw/zinc/04/43/91/496044391.db2.gz ZOQBMQDLHQMNFL-GFCCVEGCSA-N 1 1 361.423 3.302 20 5 FGBDMO Cc1[nH+]ccn1CCCN(C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000156080213 496152295 /nfs/dbraw/zinc/15/22/95/496152295.db2.gz OMZROYMONFBUHR-UHFFFAOYSA-N 1 1 351.794 3.307 20 5 FGBDMO Cc1c(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000174936907 496171724 /nfs/dbraw/zinc/17/17/24/496171724.db2.gz GIFGOTOJGKIUSV-SFHVURJKSA-N 1 1 367.449 3.497 20 5 FGBDMO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1nc2c(s1)CCCC2 ZINC000177786598 496195444 /nfs/dbraw/zinc/19/54/44/496195444.db2.gz CKFQGJJGHPNTLO-UHFFFAOYSA-N 1 1 374.466 3.391 20 5 FGBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1nc2c(s1)CCCC2 ZINC000177786598 496195446 /nfs/dbraw/zinc/19/54/46/496195446.db2.gz CKFQGJJGHPNTLO-UHFFFAOYSA-N 1 1 374.466 3.391 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC([N@H+]3CCC[C@H]3C)CC2)c1 ZINC000152754918 496246195 /nfs/dbraw/zinc/24/61/95/496246195.db2.gz ICLQWLVBNITCGD-CYBMUJFWSA-N 1 1 363.483 3.406 20 5 FGBDMO CCOC(=O)CC[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000161921193 496263265 /nfs/dbraw/zinc/26/32/65/496263265.db2.gz NUUHOJPUPFSCOA-HNNXBMFYSA-N 1 1 350.415 3.029 20 5 FGBDMO C[N@H+]1CCC[C@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000181120418 496277825 /nfs/dbraw/zinc/27/78/25/496277825.db2.gz YRTLGZDQJOJKOX-SJKOYZFVSA-N 1 1 374.466 3.051 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NCCCNc2ccc(C)c[nH+]2)c1 ZINC000172400565 496283143 /nfs/dbraw/zinc/28/31/43/496283143.db2.gz CPRZIXHXAGCTFA-UHFFFAOYSA-N 1 1 360.439 3.252 20 5 FGBDMO C[N@H+]1CCC[C@H]2CN(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000178149724 496348077 /nfs/dbraw/zinc/34/80/77/496348077.db2.gz HUYKNJMCFPOTBD-HKUYNNGSSA-N 1 1 374.485 3.043 20 5 FGBDMO COc1cc(C(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000153120307 496359863 /nfs/dbraw/zinc/35/98/63/496359863.db2.gz WUIZDOJTCQTJKD-UHFFFAOYSA-N 1 1 371.437 3.244 20 5 FGBDMO Cc1noc([C@H]2CCC[N@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)n1 ZINC000153132386 496362553 /nfs/dbraw/zinc/36/25/53/496362553.db2.gz FICNTBWQZQFEMJ-AWEZNQCLSA-N 1 1 369.381 3.321 20 5 FGBDMO Cc1noc([C@H]2CCC[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)n1 ZINC000153132386 496362559 /nfs/dbraw/zinc/36/25/59/496362559.db2.gz FICNTBWQZQFEMJ-AWEZNQCLSA-N 1 1 369.381 3.321 20 5 FGBDMO COc1cc(CN[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c([N+](=O)[O-])cc1F ZINC000184405443 496370274 /nfs/dbraw/zinc/37/02/74/496370274.db2.gz DWEQPCFRIKBEAK-KGLIPLIRSA-N 1 1 365.449 3.485 20 5 FGBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@@H](O)COc1ccc(Cl)cc1)C2 ZINC000153197185 496380156 /nfs/dbraw/zinc/38/01/56/496380156.db2.gz UJZNTXAIJLGGJF-OAHLLOKOSA-N 1 1 362.813 3.046 20 5 FGBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@@H](O)COc1ccc(Cl)cc1)C2 ZINC000153197185 496380159 /nfs/dbraw/zinc/38/01/59/496380159.db2.gz UJZNTXAIJLGGJF-OAHLLOKOSA-N 1 1 362.813 3.046 20 5 FGBDMO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC1(O)CCCCCC1 ZINC000187348856 496403096 /nfs/dbraw/zinc/40/30/96/496403096.db2.gz SVUXRYWPAVJDID-UHFFFAOYSA-N 1 1 360.414 3.162 20 5 FGBDMO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC1(O)CCCCCC1 ZINC000187348856 496403100 /nfs/dbraw/zinc/40/31/00/496403100.db2.gz SVUXRYWPAVJDID-UHFFFAOYSA-N 1 1 360.414 3.162 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000187433200 496439203 /nfs/dbraw/zinc/43/92/03/496439203.db2.gz DNOGUUCNZABZLG-UHFFFAOYSA-N 1 1 358.394 3.087 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc(C)ccc2[N+](=O)[O-])cc1F ZINC000172885887 496476147 /nfs/dbraw/zinc/47/61/47/496476147.db2.gz KJWXPPZMEBGGRF-UHFFFAOYSA-N 1 1 368.368 3.466 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000187605876 496507908 /nfs/dbraw/zinc/50/79/08/496507908.db2.gz ASMCDTLRUAQBRP-LJQANCHMSA-N 1 1 353.422 3.235 20 5 FGBDMO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000153691416 496547128 /nfs/dbraw/zinc/54/71/28/496547128.db2.gz OQYJATWSJVSJMU-WBMJQRKESA-N 1 1 363.845 3.337 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000184851923 496557780 /nfs/dbraw/zinc/55/77/80/496557780.db2.gz FLHZTTXCMWWYCN-QZTJIDSGSA-N 1 1 361.486 3.258 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C2CCOCC2)CC1 ZINC000153728508 496559756 /nfs/dbraw/zinc/55/97/56/496559756.db2.gz CKCSFLOMZUCKIA-CQSZACIVSA-N 1 1 361.442 3.060 20 5 FGBDMO C[N@@H+](Cc1ccc(F)cc1Cl)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181860770 496575538 /nfs/dbraw/zinc/57/55/38/496575538.db2.gz ABFQBMFGNJBGTQ-AWEZNQCLSA-N 1 1 368.792 3.259 20 5 FGBDMO C[N@H+](Cc1ccc(F)cc1Cl)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181860770 496575545 /nfs/dbraw/zinc/57/55/45/496575545.db2.gz ABFQBMFGNJBGTQ-AWEZNQCLSA-N 1 1 368.792 3.259 20 5 FGBDMO O=C(C[C@H]1CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000178872078 496600124 /nfs/dbraw/zinc/60/01/24/496600124.db2.gz ZVFNWZCLIKORPR-RHSMWYFYSA-N 1 1 360.435 3.427 20 5 FGBDMO CCO[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C12CCC2 ZINC000153940668 496631016 /nfs/dbraw/zinc/63/10/16/496631016.db2.gz UIXXUHJRLRUHDK-SJORKVTESA-N 1 1 361.442 3.121 20 5 FGBDMO CCO[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C12CCC2 ZINC000153940668 496631020 /nfs/dbraw/zinc/63/10/20/496631020.db2.gz UIXXUHJRLRUHDK-SJORKVTESA-N 1 1 361.442 3.121 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+](C)C2Cc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000165936974 496673220 /nfs/dbraw/zinc/67/32/20/496673220.db2.gz ALQUKWHCOCDRJS-UHFFFAOYSA-N 1 1 353.422 3.331 20 5 FGBDMO Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000176139501 496700014 /nfs/dbraw/zinc/70/00/14/496700014.db2.gz VPZAQJWWROYMSI-CVEARBPZSA-N 1 1 362.474 3.384 20 5 FGBDMO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000182187827 496701583 /nfs/dbraw/zinc/70/15/83/496701583.db2.gz JKWSKVZWMIZVJP-JKSUJKDBSA-N 1 1 354.834 3.000 20 5 FGBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2C2CCCC2)cc1 ZINC000182223059 496712519 /nfs/dbraw/zinc/71/25/19/496712519.db2.gz CAABLLJYIPCYGZ-QGZVFWFLSA-N 1 1 352.456 3.023 20 5 FGBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000179262050 496722849 /nfs/dbraw/zinc/72/28/49/496722849.db2.gz LDFZMTGBLPITTH-HKUYNNGSSA-N 1 1 368.437 3.182 20 5 FGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000246946048 496732810 /nfs/dbraw/zinc/73/28/10/496732810.db2.gz WZXIHTDHQRVXIX-DOTOQJQBSA-N 1 1 368.437 3.498 20 5 FGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000246946048 496732814 /nfs/dbraw/zinc/73/28/14/496732814.db2.gz WZXIHTDHQRVXIX-DOTOQJQBSA-N 1 1 368.437 3.498 20 5 FGBDMO CCC[C@]1(COC)CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000194927665 496763762 /nfs/dbraw/zinc/76/37/62/496763762.db2.gz WKALOMRJUGFKEJ-QGZVFWFLSA-N 1 1 369.849 3.468 20 5 FGBDMO CCC[C@]1(COC)CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000194927665 496763765 /nfs/dbraw/zinc/76/37/65/496763765.db2.gz WKALOMRJUGFKEJ-QGZVFWFLSA-N 1 1 369.849 3.468 20 5 FGBDMO CCCn1ccnc1CCC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000191488674 496780768 /nfs/dbraw/zinc/78/07/68/496780768.db2.gz RELLMFGFHMAZIO-UHFFFAOYSA-N 1 1 373.457 3.013 20 5 FGBDMO C[N@H+]1CCC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000247339816 496839105 /nfs/dbraw/zinc/83/91/05/496839105.db2.gz JDCFKJTWJHPTHX-PBHICJAKSA-N 1 1 359.451 3.469 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@H](c4nccs4)C3)n2)c1 ZINC000195340790 496894942 /nfs/dbraw/zinc/89/49/42/496894942.db2.gz WHGFPCXODQXJDY-ZDUSSCGKSA-N 1 1 371.422 3.481 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@H](c4nccs4)C3)n2)c1 ZINC000195340790 496894948 /nfs/dbraw/zinc/89/49/48/496894948.db2.gz WHGFPCXODQXJDY-ZDUSSCGKSA-N 1 1 371.422 3.481 20 5 FGBDMO CC(C)c1n[nH]c(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000269354033 496927382 /nfs/dbraw/zinc/92/73/82/496927382.db2.gz HKHYLPMCXNGELE-UHFFFAOYSA-N 1 1 373.457 3.212 20 5 FGBDMO CCOc1ccccc1N1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000195718759 496961267 /nfs/dbraw/zinc/96/12/67/496961267.db2.gz LEXQJBQHSDDPSB-UHFFFAOYSA-N 1 1 371.437 3.195 20 5 FGBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000278261338 497055623 /nfs/dbraw/zinc/05/56/23/497055623.db2.gz HLKUKONYFWBGFQ-UHFFFAOYSA-N 1 1 355.394 3.290 20 5 FGBDMO COc1cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000248625135 497063364 /nfs/dbraw/zinc/06/33/64/497063364.db2.gz NODIEYMCLHIFSU-GUYCJALGSA-N 1 1 363.433 3.191 20 5 FGBDMO CC[N@H+]1CCCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000278496585 497134490 /nfs/dbraw/zinc/13/44/90/497134490.db2.gz QBTDKONENJTOQA-UHFFFAOYSA-N 1 1 368.306 3.176 20 5 FGBDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 ZINC000278500558 497135330 /nfs/dbraw/zinc/13/53/30/497135330.db2.gz NTQWBFIDJLQOOE-NDHGSNPTSA-N 1 1 363.395 3.091 20 5 FGBDMO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCC[N@H+](C2CCCC2)CC1 ZINC000265673748 497158673 /nfs/dbraw/zinc/15/86/73/497158673.db2.gz BYYNLOVRHMIWKF-UHFFFAOYSA-N 1 1 356.426 3.167 20 5 FGBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)COc1ccccc1Cl ZINC000192707798 497191495 /nfs/dbraw/zinc/19/14/95/497191495.db2.gz WKVBAQWDAKNMCF-AWEZNQCLSA-N 1 1 350.802 3.120 20 5 FGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)COc1ccccc1Cl ZINC000192707798 497191502 /nfs/dbraw/zinc/19/15/02/497191502.db2.gz WKVBAQWDAKNMCF-AWEZNQCLSA-N 1 1 350.802 3.120 20 5 FGBDMO C[C@H]1C[C@@H](NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[N@H+]1C1CC1 ZINC000275605700 497379912 /nfs/dbraw/zinc/37/99/12/497379912.db2.gz GNFCLMOHRSAQOV-DZGCQCFKSA-N 1 1 361.445 3.449 20 5 FGBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000245531573 497441980 /nfs/dbraw/zinc/44/19/80/497441980.db2.gz TXQIZGBLHIKDMT-NEPJUHHUSA-N 1 1 371.384 3.046 20 5 FGBDMO COc1cccc([N+](=O)[O-])c1NCc1ccccc1C[NH+]1CCOCC1 ZINC000581095940 505908344 /nfs/dbraw/zinc/90/83/44/505908344.db2.gz AYGRVRAXYFXLDO-UHFFFAOYSA-N 1 1 357.410 3.048 20 5 FGBDMO Cc1cccc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000193799136 497485282 /nfs/dbraw/zinc/48/52/82/497485282.db2.gz PURFRLFLEVWEJS-KRWDZBQOSA-N 1 1 353.422 3.155 20 5 FGBDMO C[N@@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)cc1 ZINC000245854662 497550829 /nfs/dbraw/zinc/55/08/29/497550829.db2.gz JVCRRFMLRJXYIL-DLBZAZTESA-N 1 1 359.813 3.423 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)cc1 ZINC000245854662 497550834 /nfs/dbraw/zinc/55/08/34/497550834.db2.gz JVCRRFMLRJXYIL-DLBZAZTESA-N 1 1 359.813 3.423 20 5 FGBDMO C[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1 ZINC000245887613 497560569 /nfs/dbraw/zinc/56/05/69/497560569.db2.gz OCBREURJTMUBDV-IAGOWNOFSA-N 1 1 359.813 3.423 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1 ZINC000245887613 497560572 /nfs/dbraw/zinc/56/05/72/497560572.db2.gz OCBREURJTMUBDV-IAGOWNOFSA-N 1 1 359.813 3.423 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000267506668 497569942 /nfs/dbraw/zinc/56/99/42/497569942.db2.gz YQCWGJBVYYYVQP-KBXCAEBGSA-N 1 1 371.412 3.374 20 5 FGBDMO C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272281562 497585675 /nfs/dbraw/zinc/58/56/75/497585675.db2.gz INBLLCOVDXCVTF-ZFWWWQNUSA-N 1 1 359.451 3.297 20 5 FGBDMO C[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000246121638 497628706 /nfs/dbraw/zinc/62/87/06/497628706.db2.gz AUMUKCYEEHJTOW-VXGBXAGGSA-N 1 1 373.375 3.464 20 5 FGBDMO CCCC(O)(CCC)C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272577984 497668223 /nfs/dbraw/zinc/66/82/23/497668223.db2.gz XLIBXJPRMUGOCC-QGZVFWFLSA-N 1 1 360.458 3.339 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246548234 497770907 /nfs/dbraw/zinc/77/09/07/497770907.db2.gz KVAQSJIUQCJLPR-FZMZJTMJSA-N 1 1 373.375 3.416 20 5 FGBDMO Cc1cc([C@@H]2CCC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)[nH]n1 ZINC000364419337 497947872 /nfs/dbraw/zinc/94/78/72/497947872.db2.gz JBPQSEYGRVMPNM-OAHLLOKOSA-N 1 1 371.441 3.143 20 5 FGBDMO Cc1cc([C@@H]2CCC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)n[nH]1 ZINC000364419337 497947883 /nfs/dbraw/zinc/94/78/83/497947883.db2.gz JBPQSEYGRVMPNM-OAHLLOKOSA-N 1 1 371.441 3.143 20 5 FGBDMO Cc1cc([C@@H]2CCC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)n[nH]1 ZINC000364419337 497947886 /nfs/dbraw/zinc/94/78/86/497947886.db2.gz JBPQSEYGRVMPNM-OAHLLOKOSA-N 1 1 371.441 3.143 20 5 FGBDMO O=[N+]([O-])c1c(NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)nc2sccn21 ZINC000301217188 498005550 /nfs/dbraw/zinc/00/55/50/498005550.db2.gz ZRPABQAASLPKAH-HNNXBMFYSA-N 1 1 371.466 3.281 20 5 FGBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000301252559 498021873 /nfs/dbraw/zinc/02/18/73/498021873.db2.gz SDHACBQMFROENA-ZNMIVQPWSA-N 1 1 374.485 3.265 20 5 FGBDMO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285216019 498023953 /nfs/dbraw/zinc/02/39/53/498023953.db2.gz DYNMBRCIPODIKZ-CQSZACIVSA-N 1 1 362.451 3.234 20 5 FGBDMO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285216019 498023956 /nfs/dbraw/zinc/02/39/56/498023956.db2.gz DYNMBRCIPODIKZ-CQSZACIVSA-N 1 1 362.451 3.234 20 5 FGBDMO CC(C)C[N@@H+](CCN(C)C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000578558391 505967531 /nfs/dbraw/zinc/96/75/31/505967531.db2.gz NDBZSHGZDWDOGA-UHFFFAOYSA-N 1 1 359.474 3.015 20 5 FGBDMO CC(C)CN(CC[NH+](C)C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000578558391 505967535 /nfs/dbraw/zinc/96/75/35/505967535.db2.gz NDBZSHGZDWDOGA-UHFFFAOYSA-N 1 1 359.474 3.015 20 5 FGBDMO CCOCCC[N@H+]1CC[C@@H](NCc2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000285256160 498035842 /nfs/dbraw/zinc/03/58/42/498035842.db2.gz IQBCWFGJEAVNIJ-SCLBCKFNSA-N 1 1 371.428 3.100 20 5 FGBDMO CCc1cc(N(C)C[C@H]2CCC[N@@H+](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301308722 498049889 /nfs/dbraw/zinc/04/98/89/498049889.db2.gz WVTOAWHZNVSTRC-HNNXBMFYSA-N 1 1 369.469 3.392 20 5 FGBDMO C[C@H]1C[C@H](N2CCCC2)C[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000285422005 498079590 /nfs/dbraw/zinc/07/95/90/498079590.db2.gz DSVYHFQFMARMCS-YJBOKZPZSA-N 1 1 370.453 3.351 20 5 FGBDMO C[C@H]1C[C@H](N2CCCC2)C[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000285422005 498079596 /nfs/dbraw/zinc/07/95/96/498079596.db2.gz DSVYHFQFMARMCS-YJBOKZPZSA-N 1 1 370.453 3.351 20 5 FGBDMO C[C@@H]1C[C@@H](Nc2nc3sccn3c2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000301623928 498192247 /nfs/dbraw/zinc/19/22/47/498192247.db2.gz OWZSXWXIGCTGCQ-TZMCWYRMSA-N 1 1 357.439 3.379 20 5 FGBDMO COCC[N@@H+]1[C@H](C)CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000301780818 498262019 /nfs/dbraw/zinc/26/20/19/498262019.db2.gz RSDXNPNSALHBQC-TXEJJXNPSA-N 1 1 361.364 3.159 20 5 FGBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000293117480 498275110 /nfs/dbraw/zinc/27/51/10/498275110.db2.gz YZBDBMSJUYNQKH-GFCCVEGCSA-N 1 1 373.375 3.464 20 5 FGBDMO C[N@H+]1CC[C@@H](Nc2nc3sccn3c2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000301817881 498277403 /nfs/dbraw/zinc/27/74/03/498277403.db2.gz FJEKJEBVWMXRLL-OLZOCXBDSA-N 1 1 361.402 3.300 20 5 FGBDMO CC1(C)c2ccccc2CC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000569763851 506010349 /nfs/dbraw/zinc/01/03/49/506010349.db2.gz LKCJDPGHSKBYNV-MRXNPFEDSA-N 1 1 356.422 3.128 20 5 FGBDMO CC(C)(CO)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccs1 ZINC000289825113 498311578 /nfs/dbraw/zinc/31/15/78/498311578.db2.gz PBMKPFDLGIMPQS-HNNXBMFYSA-N 1 1 365.411 3.414 20 5 FGBDMO C[N@H+]1CCC[C@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)[C@H]1c1cccs1 ZINC000301893499 498315203 /nfs/dbraw/zinc/31/52/03/498315203.db2.gz APJLBQXIGKUCKD-PXAZEXFGSA-N 1 1 372.454 3.194 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2ccc3ncc([N+](=O)[O-])n3n2)cc1 ZINC000301906479 498321728 /nfs/dbraw/zinc/32/17/28/498321728.db2.gz ADFGFDKSFKJWAS-LBPRGKRZSA-N 1 1 363.381 3.305 20 5 FGBDMO Cc1cnn([C@@H]2CC[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)c1 ZINC000289959975 498372191 /nfs/dbraw/zinc/37/21/91/498372191.db2.gz QQYOHAOINBVSST-QGZVFWFLSA-N 1 1 367.409 3.244 20 5 FGBDMO CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000286512648 498421282 /nfs/dbraw/zinc/42/12/82/498421282.db2.gz QGMDRPCLHIWAAZ-MRXNPFEDSA-N 1 1 372.425 3.131 20 5 FGBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000302175913 498429482 /nfs/dbraw/zinc/42/94/82/498429482.db2.gz OJZRCDCXSCSFAJ-NVXWUHKLSA-N 1 1 370.453 3.345 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CC[NH+](C/C=C/c3ccc(F)c(F)c3)CC2)cn1 ZINC000581634667 506032568 /nfs/dbraw/zinc/03/25/68/506032568.db2.gz YIVZRFUCUALFPQ-OWOJBTEDSA-N 1 1 360.364 3.103 20 5 FGBDMO C[N@H+]1CCC[C@@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000361828857 498436789 /nfs/dbraw/zinc/43/67/89/498436789.db2.gz IVNVQTHFEUWHNQ-SUMWQHHRSA-N 1 1 374.466 3.250 20 5 FGBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000297449342 498453070 /nfs/dbraw/zinc/45/30/70/498453070.db2.gz MAIKXZKUMISXPX-INIZCTEOSA-N 1 1 352.822 3.198 20 5 FGBDMO COc1cc(C[NH+]2CCC(C3CCOCC3)CC2)c([N+](=O)[O-])cc1F ZINC000569898431 506041788 /nfs/dbraw/zinc/04/17/88/506041788.db2.gz DCDFWQSJPOBZBK-UHFFFAOYSA-N 1 1 352.406 3.381 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000572757505 506045456 /nfs/dbraw/zinc/04/54/56/506045456.db2.gz UOOYFQNBQHZYIY-FQEVSTJZSA-N 1 1 374.412 3.170 20 5 FGBDMO C[C@H](c1nc(-c2cccnc2)no1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282441796 498514499 /nfs/dbraw/zinc/51/44/99/498514499.db2.gz KZMBQNAMBIZGET-CYBMUJFWSA-N 1 1 353.382 3.275 20 5 FGBDMO Cn1cc[nH+]c1CC1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000365550953 498527978 /nfs/dbraw/zinc/52/79/78/498527978.db2.gz UIOWAMMAKRPJOT-UHFFFAOYSA-N 1 1 369.347 3.201 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@H](C)C1 ZINC000297689838 498536805 /nfs/dbraw/zinc/53/68/05/498536805.db2.gz MBXYPUQUROIWHZ-IAQYHMDHSA-N 1 1 373.375 3.416 20 5 FGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000282537188 498549675 /nfs/dbraw/zinc/54/96/75/498549675.db2.gz VQSXWUFSBSNHSM-GOSISDBHSA-N 1 1 367.449 3.231 20 5 FGBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2c2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000302739678 498554931 /nfs/dbraw/zinc/55/49/31/498554931.db2.gz CGZZOBPJOBASIK-GUTXKFCHSA-N 1 1 353.850 3.326 20 5 FGBDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2c2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000302739678 498554934 /nfs/dbraw/zinc/55/49/34/498554934.db2.gz CGZZOBPJOBASIK-GUTXKFCHSA-N 1 1 353.850 3.326 20 5 FGBDMO C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)NCCF ZINC000282603976 498577894 /nfs/dbraw/zinc/57/78/94/498577894.db2.gz HRKFNLVNKHTGOY-SNVBAGLBSA-N 1 1 369.780 3.072 20 5 FGBDMO O=[N+]([O-])c1c(F)cccc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000302798818 498580141 /nfs/dbraw/zinc/58/01/41/498580141.db2.gz RQKRBDURXGPYSD-MRXNPFEDSA-N 1 1 359.401 3.437 20 5 FGBDMO Cc1cccc(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)c1[N+](=O)[O-] ZINC000302888466 498617308 /nfs/dbraw/zinc/61/73/08/498617308.db2.gz ONBXCVZIYKLIHD-SFHVURJKSA-N 1 1 355.438 3.472 20 5 FGBDMO Cc1cccc(NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1[N+](=O)[O-] ZINC000302888465 498618352 /nfs/dbraw/zinc/61/83/52/498618352.db2.gz ONBXCVZIYKLIHD-GOSISDBHSA-N 1 1 355.438 3.472 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000365747168 498623011 /nfs/dbraw/zinc/62/30/11/498623011.db2.gz OWZMWYFMYFYLLJ-MOPGFXCFSA-N 1 1 365.433 3.189 20 5 FGBDMO Cc1cccc(NC2CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])CC2)[nH+]1 ZINC000363061830 498629838 /nfs/dbraw/zinc/62/98/38/498629838.db2.gz VXHJFEDRHFXUAM-UHFFFAOYSA-N 1 1 358.373 3.154 20 5 FGBDMO Cc1nccn1CCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000290639619 498630219 /nfs/dbraw/zinc/63/02/19/498630219.db2.gz YJZUJSURBRBEDT-UHFFFAOYSA-N 1 1 354.357 3.223 20 5 FGBDMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cc([N+](=O)[O-])c[nH]c3=O)cc2)C1 ZINC000302938902 498630807 /nfs/dbraw/zinc/63/08/07/498630807.db2.gz HHKJXSVAXPQNNC-ZDUSSCGKSA-N 1 1 370.409 3.180 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@@H](Oc4ccccc4)C3)o2)cc1 ZINC000363064932 498631454 /nfs/dbraw/zinc/63/14/54/498631454.db2.gz MVLIFKNPGROHQS-QGZVFWFLSA-N 1 1 366.377 3.298 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@@H](Oc4ccccc4)C3)o2)cc1 ZINC000363064932 498631461 /nfs/dbraw/zinc/63/14/61/498631461.db2.gz MVLIFKNPGROHQS-QGZVFWFLSA-N 1 1 366.377 3.298 20 5 FGBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294519878 498718197 /nfs/dbraw/zinc/71/81/97/498718197.db2.gz QGENDNZBQIKKPV-SNVBAGLBSA-N 1 1 370.331 3.185 20 5 FGBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH+]2CCC(Cn3cncn3)CC2)c1 ZINC000294554945 498728989 /nfs/dbraw/zinc/72/89/89/498728989.db2.gz LATXZIDWJPLZRW-UHFFFAOYSA-N 1 1 369.347 3.117 20 5 FGBDMO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363257276 498732017 /nfs/dbraw/zinc/73/20/17/498732017.db2.gz VTCIKUPWIXXHGV-IMJJTQAJSA-N 1 1 371.462 3.366 20 5 FGBDMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000332616797 498742962 /nfs/dbraw/zinc/74/29/62/498742962.db2.gz QFADRKKYNOOGFY-DZGCQCFKSA-N 1 1 363.433 3.097 20 5 FGBDMO C[C@@H]1[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000311826403 498753687 /nfs/dbraw/zinc/75/36/87/498753687.db2.gz RHKYNAQZRWHHSO-DYVFJYSZSA-N 1 1 357.385 3.127 20 5 FGBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000312641977 498761737 /nfs/dbraw/zinc/76/17/37/498761737.db2.gz JRQZSZZCDLVMOA-MRXNPFEDSA-N 1 1 371.412 3.376 20 5 FGBDMO Cc1ccc(C[N@@H+]2C[C@@H](c3cnn(C)c3)C3(C2)CCOCC3)cc1[N+](=O)[O-] ZINC000294685566 498773703 /nfs/dbraw/zinc/77/37/03/498773703.db2.gz AECGZAHCISOJRB-SFHVURJKSA-N 1 1 370.453 3.033 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1CNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000291159870 498822233 /nfs/dbraw/zinc/82/22/33/498822233.db2.gz LXOHWAAJTGMDAN-UHFFFAOYSA-N 1 1 361.364 3.110 20 5 FGBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000291266656 498869666 /nfs/dbraw/zinc/86/96/66/498869666.db2.gz DNGBTEYGMGMYLU-HZMBPMFUSA-N 1 1 372.252 3.458 20 5 FGBDMO CC(=O)c1ccc(N[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000363589796 498892082 /nfs/dbraw/zinc/89/20/82/498892082.db2.gz VNEPQNKKTXZEKU-XOKHGSTOSA-N 1 1 361.442 3.099 20 5 FGBDMO COC(=O)c1cc([N+](=O)[O-])c(N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1Cl ZINC000363783973 498991079 /nfs/dbraw/zinc/99/10/79/498991079.db2.gz OHWVDONGQDPHPD-QWRGUYRKSA-N 1 1 353.806 3.074 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](n3cc[nH+]c3CC)C2)c1 ZINC000283824690 498994050 /nfs/dbraw/zinc/99/40/50/498994050.db2.gz FLLXXPHTPHITJC-AWEZNQCLSA-N 1 1 372.425 3.230 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000363802850 499000491 /nfs/dbraw/zinc/00/04/91/499000491.db2.gz KRARIMKACVVPDI-OAHLLOKOSA-N 1 1 360.458 3.107 20 5 FGBDMO CCOc1cc(C[N@H+]2CC[C@@](CO)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000291706463 499042447 /nfs/dbraw/zinc/04/24/47/499042447.db2.gz IGWSCKLULBYFKA-HXUWFJFHSA-N 1 1 356.422 3.130 20 5 FGBDMO CC(=O)c1ccc(N(C)C2CC[NH+](Cc3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000364079505 499110063 /nfs/dbraw/zinc/11/00/63/499110063.db2.gz VGDRVZCLNQKRIO-UHFFFAOYSA-N 1 1 368.437 3.293 20 5 FGBDMO Cc1cc(C(=O)N2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)cc([N+](=O)[O-])c1 ZINC000367208332 499161714 /nfs/dbraw/zinc/16/17/14/499161714.db2.gz ITKVVSOBPNTSAK-MRXNPFEDSA-N 1 1 357.454 3.240 20 5 FGBDMO CC(=O)N1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc21 ZINC000368469588 499298974 /nfs/dbraw/zinc/29/89/74/499298974.db2.gz IVJBYCZNSBCHRJ-INIZCTEOSA-N 1 1 370.365 3.091 20 5 FGBDMO Cc1c(C(=O)N2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000368474296 499299585 /nfs/dbraw/zinc/29/95/85/499299585.db2.gz GOHPIEGHNOQTPG-OAHLLOKOSA-N 1 1 357.454 3.240 20 5 FGBDMO COC[C@H]1CCCC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000368665858 499319660 /nfs/dbraw/zinc/31/96/60/499319660.db2.gz IWIWUZCDEFWRLJ-HNNXBMFYSA-N 1 1 358.442 3.244 20 5 FGBDMO CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000582138014 506142453 /nfs/dbraw/zinc/14/24/53/506142453.db2.gz RFGRAMXXOMRBGE-SJORKVTESA-N 1 1 360.458 3.050 20 5 FGBDMO Cn1ccnc1[C@H](N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000371666764 499352914 /nfs/dbraw/zinc/35/29/14/499352914.db2.gz WTESDMUCRRWHGI-VQIMIIECSA-N 1 1 369.469 3.024 20 5 FGBDMO CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000371783344 499364910 /nfs/dbraw/zinc/36/49/10/499364910.db2.gz ICOYCDCGABWIRS-UKRRQHHQSA-N 1 1 374.416 3.288 20 5 FGBDMO CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000371783345 499365042 /nfs/dbraw/zinc/36/50/42/499365042.db2.gz ICOYCDCGABWIRS-ZFWWWQNUSA-N 1 1 374.416 3.288 20 5 FGBDMO CCC(=O)c1ccc(N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c([N+](=O)[O-])c1 ZINC000369148129 499370796 /nfs/dbraw/zinc/37/07/96/499370796.db2.gz PZPDQRKUUKZFHL-AWEZNQCLSA-N 1 1 356.426 3.380 20 5 FGBDMO Cn1cc([C@@H](O)C[C@H]2CCC[N@H+]2Cc2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000369282741 499387638 /nfs/dbraw/zinc/38/76/38/499387638.db2.gz IXJXGYHKVHRANG-PBHICJAKSA-N 1 1 364.833 3.070 20 5 FGBDMO COCC[C@H]1CCCC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000372100152 499399064 /nfs/dbraw/zinc/39/90/64/499399064.db2.gz AWNZVKMCEWSYSI-MRXNPFEDSA-N 1 1 363.458 3.370 20 5 FGBDMO Cc1nc([N+](=O)[O-])c(-c2noc([C@H]3CCC[N@@H+]3Cc3ccccc3)n2)n1C ZINC000373168936 499454914 /nfs/dbraw/zinc/45/49/14/499454914.db2.gz DFBKSZBTVJKSAE-CQSZACIVSA-N 1 1 368.397 3.024 20 5 FGBDMO Cc1nc([N+](=O)[O-])c(-c2noc([C@H]3CCC[N@H+]3Cc3ccccc3)n2)n1C ZINC000373168936 499454915 /nfs/dbraw/zinc/45/49/15/499454915.db2.gz DFBKSZBTVJKSAE-CQSZACIVSA-N 1 1 368.397 3.024 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000378264667 499496182 /nfs/dbraw/zinc/49/61/82/499496182.db2.gz XYBBTBMDNCZNOP-ZDUSSCGKSA-N 1 1 364.833 3.273 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000378264667 499496184 /nfs/dbraw/zinc/49/61/84/499496184.db2.gz XYBBTBMDNCZNOP-ZDUSSCGKSA-N 1 1 364.833 3.273 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000375283710 499502887 /nfs/dbraw/zinc/50/28/87/499502887.db2.gz FVQKLERIBMEFHI-PXAZEXFGSA-N 1 1 367.833 3.078 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000375283710 499502889 /nfs/dbraw/zinc/50/28/89/499502889.db2.gz FVQKLERIBMEFHI-PXAZEXFGSA-N 1 1 367.833 3.078 20 5 FGBDMO O=C(Nc1cccc2c1C[N@H+](C1CC1)C2)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000378528215 499528611 /nfs/dbraw/zinc/52/86/11/499528611.db2.gz ZQPODPZUKSGLSH-UHFFFAOYSA-N 1 1 363.377 3.201 20 5 FGBDMO O=c1cc(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)c2c(ccc3ccccc32)o1 ZINC000375667531 499543010 /nfs/dbraw/zinc/54/30/10/499543010.db2.gz WXXOSPMWYMEJBT-QFIPXVFZSA-N 1 1 365.429 3.328 20 5 FGBDMO O=c1cc(C[N@H+]2CCO[C@@]3(CCCOC3)C2)c2c(ccc3ccccc32)o1 ZINC000375667531 499543011 /nfs/dbraw/zinc/54/30/11/499543011.db2.gz WXXOSPMWYMEJBT-QFIPXVFZSA-N 1 1 365.429 3.328 20 5 FGBDMO C[N@@H+](CCNc1ncc(Br)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000386693167 499549350 /nfs/dbraw/zinc/54/93/50/499549350.db2.gz KWWZOAQNHKISDW-UHFFFAOYSA-N 1 1 365.231 3.296 20 5 FGBDMO COC[C@H]1CCCC[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000376370974 499603834 /nfs/dbraw/zinc/60/38/34/499603834.db2.gz SGIXINPTKWULFY-KBPBESRZSA-N 1 1 360.414 3.454 20 5 FGBDMO C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000411313253 499725061 /nfs/dbraw/zinc/72/50/61/499725061.db2.gz ALEFTBREYUOBED-RBUKOAKNSA-N 1 1 359.470 3.469 20 5 FGBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2c2ccncc2)c([N+](=O)[O-])c1 ZINC000411416918 499737769 /nfs/dbraw/zinc/73/77/69/499737769.db2.gz LUFHHZCFCJEJSM-QGZVFWFLSA-N 1 1 370.409 3.164 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411441405 499740978 /nfs/dbraw/zinc/74/09/78/499740978.db2.gz PTGYQQXEEUNHRF-ZYSHUDEJSA-N 1 1 359.470 3.469 20 5 FGBDMO NC(=O)C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000377848734 499741874 /nfs/dbraw/zinc/74/18/74/499741874.db2.gz ZQLOVIPPFUCSJC-LLVKDONJSA-N 1 1 363.801 3.206 20 5 FGBDMO Cc1ncc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])c(C)n3)[C@H](C)C2)s1 ZINC000378133410 499760433 /nfs/dbraw/zinc/76/04/33/499760433.db2.gz KVSDKMTUAJZVSI-ABAIWWIYSA-N 1 1 361.471 3.386 20 5 FGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000414555969 499808002 /nfs/dbraw/zinc/80/80/02/499808002.db2.gz UZRPYFGAJFSHQP-BBLCHGJFSA-N 1 1 357.454 3.475 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](c1ccccc1)C1(CO)CCCCC1 ZINC000412013237 499812722 /nfs/dbraw/zinc/81/27/22/499812722.db2.gz NRQUNUTYADPKIX-KRWDZBQOSA-N 1 1 358.442 3.102 20 5 FGBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)Cc1occc1C ZINC000412029336 499814740 /nfs/dbraw/zinc/81/47/40/499814740.db2.gz UAGVGJQKJUSACJ-UHFFFAOYSA-N 1 1 361.398 3.356 20 5 FGBDMO COc1ccc(-c2ccc(CN3CCC[C@@H]([C@@H](C)[NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000414654796 499817289 /nfs/dbraw/zinc/81/72/89/499817289.db2.gz GOSFOALWXYFZHI-ZIAGYGMSSA-N 1 1 359.426 3.423 20 5 FGBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)C1 ZINC000412185874 499831922 /nfs/dbraw/zinc/83/19/22/499831922.db2.gz QZOBBRCOSKLHCX-HNNXBMFYSA-N 1 1 363.458 3.090 20 5 FGBDMO O=[N+]([O-])c1cnc(NCCc2cn3c([nH+]2)CCCC3)c(C(F)(F)F)c1 ZINC000413034070 499905480 /nfs/dbraw/zinc/90/54/80/499905480.db2.gz AYZQAIBHPBLMJC-UHFFFAOYSA-N 1 1 355.320 3.196 20 5 FGBDMO C[C@@H]1C[N@H+](Cc2ccccc2CNc2ncc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000413069458 499909620 /nfs/dbraw/zinc/90/96/20/499909620.db2.gz XZSVMEJCFZPKKR-OKILXGFUSA-N 1 1 374.416 3.350 20 5 FGBDMO CCC[C@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)CC[N@H+]1CCOC ZINC000413224572 499929304 /nfs/dbraw/zinc/92/93/04/499929304.db2.gz YSOVCIXFHXWVGF-KRWDZBQOSA-N 1 1 358.442 3.080 20 5 FGBDMO CC(C)(NC(=O)CC[N@H+]1CCc2ccccc2C1)c1ccccc1[N+](=O)[O-] ZINC000416237935 499991187 /nfs/dbraw/zinc/99/11/87/499991187.db2.gz GCWHVRZIOBNCHK-UHFFFAOYSA-N 1 1 367.449 3.395 20 5 FGBDMO CSC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000429290266 500044562 /nfs/dbraw/zinc/04/45/62/500044562.db2.gz YYPDWNHXGHHHNU-LLVKDONJSA-N 1 1 357.863 3.262 20 5 FGBDMO CSC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000429290266 500044565 /nfs/dbraw/zinc/04/45/65/500044565.db2.gz YYPDWNHXGHHHNU-LLVKDONJSA-N 1 1 357.863 3.262 20 5 FGBDMO CCO[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1(C)C ZINC000579438063 506173979 /nfs/dbraw/zinc/17/39/79/506173979.db2.gz ZRRGNTYHGREBLS-SJORKVTESA-N 1 1 363.458 3.367 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000421537053 500074600 /nfs/dbraw/zinc/07/46/00/500074600.db2.gz DRGMDUAJJHAFHI-UHFFFAOYSA-N 1 1 359.426 3.399 20 5 FGBDMO CN(Cc1ccc(Br)cc1[N+](=O)[O-])C[C@@H]1CCC[N@@H+](C)C1 ZINC000425426266 500102101 /nfs/dbraw/zinc/10/21/01/500102101.db2.gz ZYMHYQRDRFAYLI-GFCCVEGCSA-N 1 1 356.264 3.131 20 5 FGBDMO CC(C)c1ccc(CN2CC[N@H+](C3CCOCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000426546785 500287492 /nfs/dbraw/zinc/28/74/92/500287492.db2.gz XKBXXZRTUOAZOF-MRXNPFEDSA-N 1 1 361.486 3.403 20 5 FGBDMO Cc1c(NC(=O)CC[N@@H+](C)C(C)(C)CN2CCCC2)cccc1[N+](=O)[O-] ZINC000419370104 500358019 /nfs/dbraw/zinc/35/80/19/500358019.db2.gz ALARRCLFEQYWJQ-UHFFFAOYSA-N 1 1 362.474 3.038 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+](C)C(C)(C)CN2CCCC2)cccc1[N+](=O)[O-] ZINC000419370104 500358020 /nfs/dbraw/zinc/35/80/20/500358020.db2.gz ALARRCLFEQYWJQ-UHFFFAOYSA-N 1 1 362.474 3.038 20 5 FGBDMO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427915243 500445578 /nfs/dbraw/zinc/44/55/78/500445578.db2.gz NSQBLZJYBRKRSI-UHFFFAOYSA-N 1 1 369.421 3.216 20 5 FGBDMO Cn1cc(C[N@H+]2CCC[C@H](OCC3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000428371650 500501942 /nfs/dbraw/zinc/50/19/42/500501942.db2.gz GJTJQRLQFSCJFQ-IBGZPJMESA-N 1 1 370.453 3.386 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421021410 500557108 /nfs/dbraw/zinc/55/71/08/500557108.db2.gz SOIQMRMFWJUFSC-OLZOCXBDSA-N 1 1 369.849 3.060 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@H](CCO)CC1 ZINC000421021410 500557111 /nfs/dbraw/zinc/55/71/11/500557111.db2.gz SOIQMRMFWJUFSC-OLZOCXBDSA-N 1 1 369.849 3.060 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000570607268 506203898 /nfs/dbraw/zinc/20/38/98/506203898.db2.gz PVUYBZLMMSUVHC-GOSISDBHSA-N 1 1 353.422 3.240 20 5 FGBDMO CCN1CCN(C[C@H](C)C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433115480 500628942 /nfs/dbraw/zinc/62/89/42/500628942.db2.gz IIWBAQMTUZXCDJ-OXQOHEQNSA-N 1 1 374.529 3.180 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](C)[C@H]2CO)cc1OC ZINC000442882217 500639320 /nfs/dbraw/zinc/63/93/20/500639320.db2.gz COVADPGIHGACNN-JJRVBVJISA-N 1 1 366.458 3.231 20 5 FGBDMO O=[N+]([O-])c1ccc(OCC[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)cc1 ZINC000437525194 500655421 /nfs/dbraw/zinc/65/54/21/500655421.db2.gz OSFOFUOFTYLXQX-LJQANCHMSA-N 1 1 356.422 3.307 20 5 FGBDMO COc1ccc(OCC[N@H+]2CC3(CCCC3)OC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000443320058 500709984 /nfs/dbraw/zinc/70/99/84/500709984.db2.gz LSQIPEUJAHMHNC-UHFFFAOYSA-N 1 1 364.442 3.406 20 5 FGBDMO Cc1c(NC(=O)CCN2CC[N@H+](C)C3(CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000570735986 506216091 /nfs/dbraw/zinc/21/60/91/506216091.db2.gz CCHINDYDYPUYFP-UHFFFAOYSA-N 1 1 374.485 3.182 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CCN(C)C3(CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000570735986 506216092 /nfs/dbraw/zinc/21/60/92/506216092.db2.gz CCHINDYDYPUYFP-UHFFFAOYSA-N 1 1 374.485 3.182 20 5 FGBDMO Cc1c(NC(=O)CC[N@@H+]2CCN(C)C3(CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000570735986 506216093 /nfs/dbraw/zinc/21/60/93/506216093.db2.gz CCHINDYDYPUYFP-UHFFFAOYSA-N 1 1 374.485 3.182 20 5 FGBDMO Cc1[nH+]ccn1CCCCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444092470 500802134 /nfs/dbraw/zinc/80/21/34/500802134.db2.gz DQHXATHJSOVIOM-UHFFFAOYSA-N 1 1 374.444 3.396 20 5 FGBDMO CCC[N@@H+](CC)CCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444105046 500803949 /nfs/dbraw/zinc/80/39/49/500803949.db2.gz JTUGTEZJBGNQHG-UHFFFAOYSA-N 1 1 369.440 3.282 20 5 FGBDMO COc1ccccc1C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000444233015 500821491 /nfs/dbraw/zinc/82/14/91/500821491.db2.gz ABAXNUBBHUHGEJ-HNNXBMFYSA-N 1 1 371.437 3.413 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+](CCc3ccccc3)[C@H]3CCOC3)nc2c1 ZINC000444637722 500871555 /nfs/dbraw/zinc/87/15/55/500871555.db2.gz HBHDKYQLMLJRCQ-KRWDZBQOSA-N 1 1 366.421 3.305 20 5 FGBDMO Cc1c(CC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000439306012 500883429 /nfs/dbraw/zinc/88/34/29/500883429.db2.gz WNBDWUIQFYQUOY-LJQANCHMSA-N 1 1 367.449 3.179 20 5 FGBDMO Cc1ccc([C@]2(C)CC[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000434748193 500889066 /nfs/dbraw/zinc/88/90/66/500889066.db2.gz NZLSISWFHCRUBZ-WIYYLYMNSA-N 1 1 370.449 3.307 20 5 FGBDMO CN(C(=O)C[N@H+](C)CCCOCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000439485923 500904584 /nfs/dbraw/zinc/90/45/84/500904584.db2.gz LOMNZWVEAWDGGZ-UHFFFAOYSA-N 1 1 371.437 3.096 20 5 FGBDMO CN(C(=O)C[N@@H+](C)CCCOCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000439485923 500904586 /nfs/dbraw/zinc/90/45/86/500904586.db2.gz LOMNZWVEAWDGGZ-UHFFFAOYSA-N 1 1 371.437 3.096 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)NCC[N@H+]2CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000445114551 500945586 /nfs/dbraw/zinc/94/55/86/500945586.db2.gz OVRAMUHFFUFSGW-HNNXBMFYSA-N 1 1 362.474 3.385 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000439935105 500957290 /nfs/dbraw/zinc/95/72/90/500957290.db2.gz UEZMOWXISYMYAT-CQSZACIVSA-N 1 1 364.446 3.332 20 5 FGBDMO Cn1cc(C[N@H+]2CCC[C@H](OC(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611609567 506228789 /nfs/dbraw/zinc/22/87/89/506228789.db2.gz PCEXAUWEHMABDH-HNNXBMFYSA-N 1 1 366.368 3.199 20 5 FGBDMO CS[C@@H]1CN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C[C@H]1[NH+]1CCCC1 ZINC000445606575 501009910 /nfs/dbraw/zinc/00/99/10/501009910.db2.gz DFBRWBCTPSKVJZ-RTBURBONSA-N 1 1 372.494 3.467 20 5 FGBDMO CCc1cccc(OCC[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000440498473 501015960 /nfs/dbraw/zinc/01/59/60/501015960.db2.gz YGSMRNOXNCAHNX-INIZCTEOSA-N 1 1 356.426 3.117 20 5 FGBDMO CC(=O)NC1CCC([N@@H+](C)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602606515 506229643 /nfs/dbraw/zinc/22/96/43/506229643.db2.gz GFZMAOUZWVFELU-UHFFFAOYSA-N 1 1 373.375 3.493 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCc4ncsc4C3)o2)c1 ZINC000445862443 501043096 /nfs/dbraw/zinc/04/30/96/501043096.db2.gz QGPFWAGUVQXZST-UHFFFAOYSA-N 1 1 356.407 3.307 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000446102871 501075118 /nfs/dbraw/zinc/07/51/18/501075118.db2.gz KULJLLSKLNUDLR-NVXWUHKLSA-N 1 1 353.422 3.469 20 5 FGBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000450388220 501107972 /nfs/dbraw/zinc/10/79/72/501107972.db2.gz IFGXDVYYMJCWMR-SUMWQHHRSA-N 1 1 356.426 3.072 20 5 FGBDMO C[C@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)[N@@H+](C)C1CC1 ZINC000436419459 501124621 /nfs/dbraw/zinc/12/46/21/501124621.db2.gz XUNZPUFJIPGBPL-GFCCVEGCSA-N 1 1 367.424 3.033 20 5 FGBDMO CC[N@H+](CCNCc1nc2cc([N+](=O)[O-])ccc2o1)CCC(F)(F)F ZINC000602632555 506239288 /nfs/dbraw/zinc/23/92/88/506239288.db2.gz CCMZKZMIFYRVBO-UHFFFAOYSA-N 1 1 360.336 3.100 20 5 FGBDMO CC[N@@H+](CCNCc1nc2cc([N+](=O)[O-])ccc2o1)CCC(F)(F)F ZINC000602632555 506239291 /nfs/dbraw/zinc/23/92/91/506239291.db2.gz CCMZKZMIFYRVBO-UHFFFAOYSA-N 1 1 360.336 3.100 20 5 FGBDMO CCc1[nH+]ccn1[C@H](C)CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000592780580 506241320 /nfs/dbraw/zinc/24/13/20/506241320.db2.gz JVEIZEFFJAYWMX-CQSZACIVSA-N 1 1 356.426 3.496 20 5 FGBDMO Cc1noc(C)c1C[NH+]1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450252560 501219348 /nfs/dbraw/zinc/21/93/48/501219348.db2.gz ZJULTZQTZGSPAP-UHFFFAOYSA-N 1 1 367.409 3.070 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CCC[C@H]3O)n2)c1 ZINC000451339767 501269322 /nfs/dbraw/zinc/26/93/22/501269322.db2.gz JWJHUYKRNCIVGY-GVDBMIGSSA-N 1 1 372.425 3.160 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc([C@H]3CCCc4[nH+]ccn43)n2)c2c1NCCC2 ZINC000453231535 501295757 /nfs/dbraw/zinc/29/57/57/501295757.db2.gz FWDQGDWVJUVXDO-CQSZACIVSA-N 1 1 366.381 3.125 20 5 FGBDMO COc1ccc(C[N@H+]2CC[C@](C)(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000453619019 501363686 /nfs/dbraw/zinc/36/36/86/501363686.db2.gz JCIOOGHSUMOTIX-SFHVURJKSA-N 1 1 350.415 3.157 20 5 FGBDMO CO[C@H]1C[C@@H]([N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C12CCC2 ZINC000451841099 501383983 /nfs/dbraw/zinc/38/39/83/501383983.db2.gz SXXPAUBJWSRLOB-CABCVRRESA-N 1 1 358.398 3.034 20 5 FGBDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C12CCC2 ZINC000451841099 501383985 /nfs/dbraw/zinc/38/39/85/501383985.db2.gz SXXPAUBJWSRLOB-CABCVRRESA-N 1 1 358.398 3.034 20 5 FGBDMO CO[C@H]1C[C@H]([N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C12CCC2 ZINC000451859541 501387366 /nfs/dbraw/zinc/38/73/66/501387366.db2.gz WJPVUOCYPMMTFG-GJZGRUSLSA-N 1 1 358.398 3.034 20 5 FGBDMO CO[C@H]1C[C@H]([N@@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C12CCC2 ZINC000451859541 501387369 /nfs/dbraw/zinc/38/73/69/501387369.db2.gz WJPVUOCYPMMTFG-GJZGRUSLSA-N 1 1 358.398 3.034 20 5 FGBDMO O=C(C[N@@H+]1CCC[C@]2(CCSC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000451986985 501413516 /nfs/dbraw/zinc/41/35/16/501413516.db2.gz YGYMMQYFKSRRNM-INIZCTEOSA-N 1 1 369.874 3.406 20 5 FGBDMO O=C(C[N@H+]1CCC[C@]2(CCSC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000451986985 501413518 /nfs/dbraw/zinc/41/35/18/501413518.db2.gz YGYMMQYFKSRRNM-INIZCTEOSA-N 1 1 369.874 3.406 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451986952 501413585 /nfs/dbraw/zinc/41/35/85/501413585.db2.gz YCBZALXXTXUORJ-GOSISDBHSA-N 1 1 363.483 3.451 20 5 FGBDMO COC(=O)[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@H]1c1ccccc1 ZINC000451997586 501416085 /nfs/dbraw/zinc/41/60/85/501416085.db2.gz ALHFIHUZXAVFCE-ROUUACIJSA-N 1 1 354.406 3.292 20 5 FGBDMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)c2ccc([N+](=O)[O-])s2)CCC1 ZINC000452725193 501551903 /nfs/dbraw/zinc/55/19/03/501551903.db2.gz YXWXPLXDURPNCD-UHFFFAOYSA-N 1 1 359.451 3.441 20 5 FGBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000452980549 501596275 /nfs/dbraw/zinc/59/62/75/501596275.db2.gz VYCPLGIVWKVQGQ-XJKSGUPXSA-N 1 1 363.483 3.263 20 5 FGBDMO C[C@@H](C(=O)N1CC[NH2+][C@@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000457028790 501637259 /nfs/dbraw/zinc/63/72/59/501637259.db2.gz QRHDZKCJEPPNRS-FZKQIMNGSA-N 1 1 357.385 3.011 20 5 FGBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CC=CCC1 ZINC000477649384 501749847 /nfs/dbraw/zinc/74/98/47/501749847.db2.gz LNWWSWSISFVNAR-UHFFFAOYSA-N 1 1 363.483 3.479 20 5 FGBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](C[C@@H](O)Cc1ccc3ccccc3c1)CC2 ZINC000470778815 501799865 /nfs/dbraw/zinc/79/98/65/501799865.db2.gz HYNCCTHURZBVNW-FQEVSTJZSA-N 1 1 363.417 3.105 20 5 FGBDMO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](C[C@@H](O)Cc1ccc3ccccc3c1)CC2 ZINC000470778815 501799868 /nfs/dbraw/zinc/79/98/68/501799868.db2.gz HYNCCTHURZBVNW-FQEVSTJZSA-N 1 1 363.417 3.105 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)[C@@H](C)C1 ZINC000596137909 506274758 /nfs/dbraw/zinc/27/47/58/506274758.db2.gz XYNPHNGHBZWAIA-NWDGAFQWSA-N 1 1 369.849 3.201 20 5 FGBDMO O=[N+]([O-])c1cccnc1N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000467792783 501874828 /nfs/dbraw/zinc/87/48/28/501874828.db2.gz KXOOSAJZPZSIEW-HXUWFJFHSA-N 1 1 352.438 3.482 20 5 FGBDMO C[C@@H](CNc1ncc(Br)cc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000474785278 501951628 /nfs/dbraw/zinc/95/16/28/501951628.db2.gz RSZSJOPKKAUBIE-MNOVXSKESA-N 1 1 357.252 3.427 20 5 FGBDMO CSc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)cc1[N+](=O)[O-] ZINC000464341624 501960180 /nfs/dbraw/zinc/96/01/80/501960180.db2.gz XZTUQSVYHYGNTJ-OAHLLOKOSA-N 1 1 363.483 3.311 20 5 FGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]2Cc2c(F)cccc2Cl)n1 ZINC000478413495 501974222 /nfs/dbraw/zinc/97/42/22/501974222.db2.gz CEYMCXGTKDOEJV-GFCCVEGCSA-N 1 1 352.797 3.291 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000485888430 501977370 /nfs/dbraw/zinc/97/73/70/501977370.db2.gz KJLNOCCVGDHVSZ-ZCNNSNEGSA-N 1 1 367.449 3.415 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000485888429 501977401 /nfs/dbraw/zinc/97/74/01/501977401.db2.gz KJLNOCCVGDHVSZ-XUVXKRRUSA-N 1 1 367.449 3.415 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471384925 502007292 /nfs/dbraw/zinc/00/72/92/502007292.db2.gz KAQIZKJKYOADDS-HDICACEKSA-N 1 1 365.433 3.107 20 5 FGBDMO C[C@H](CNC(=O)CSc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000478557505 502017960 /nfs/dbraw/zinc/01/79/60/502017960.db2.gz AVJXTNGEWRUANF-UONOGXRCSA-N 1 1 351.472 3.066 20 5 FGBDMO COc1c(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000475116939 502066457 /nfs/dbraw/zinc/06/64/57/502066457.db2.gz GQNSVWBMVAXJHT-GDBMZVCRSA-N 1 1 369.421 3.169 20 5 FGBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000468469715 502068185 /nfs/dbraw/zinc/06/81/85/502068185.db2.gz MUXRZXSFYJOJRW-ZDUSSCGKSA-N 1 1 373.375 3.464 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC000468474977 502070479 /nfs/dbraw/zinc/07/04/79/502070479.db2.gz LGRWNXAICFOWNK-OAHLLOKOSA-N 1 1 351.472 3.167 20 5 FGBDMO CSc1cccc(C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000468493929 502079557 /nfs/dbraw/zinc/07/95/57/502079557.db2.gz YTUSOGIAHQCOBB-AWEZNQCLSA-N 1 1 351.472 3.167 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+](Cc3ccccc3)[C@@H](CO)C3CC3)nc2c1 ZINC000482676919 502149429 /nfs/dbraw/zinc/14/94/29/502149429.db2.gz AVGIOZXKTPYAGG-IBGZPJMESA-N 1 1 366.421 3.244 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+](Cc3ccccc3)[C@@H](CO)C3CC3)nc2c1 ZINC000482676919 502149434 /nfs/dbraw/zinc/14/94/34/502149434.db2.gz AVGIOZXKTPYAGG-IBGZPJMESA-N 1 1 366.421 3.244 20 5 FGBDMO CN(C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000486456502 502159366 /nfs/dbraw/zinc/15/93/66/502159366.db2.gz NSSSXQMQXLWWNP-UHFFFAOYSA-N 1 1 373.319 3.390 20 5 FGBDMO CCc1ccc(C[N@@H+](C)Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)cc1 ZINC000475567576 502214990 /nfs/dbraw/zinc/21/49/90/502214990.db2.gz DARPNQWTEKZQHQ-UHFFFAOYSA-N 1 1 372.421 3.341 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+]2C[C@H](C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000475702860 502258443 /nfs/dbraw/zinc/25/84/43/502258443.db2.gz OEZBQLYQIVAQPR-XOBRGWDASA-N 1 1 370.405 3.340 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2C[C@H](C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000475702860 502258448 /nfs/dbraw/zinc/25/84/48/502258448.db2.gz OEZBQLYQIVAQPR-XOBRGWDASA-N 1 1 370.405 3.340 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2C[C@H](C)CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000475712435 502260457 /nfs/dbraw/zinc/26/04/57/502260457.db2.gz ZNWWAIATJUYWOQ-ZIAGYGMSSA-N 1 1 350.415 3.157 20 5 FGBDMO C[N@@H+](CCCNC(=O)NCCc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000465533599 502294623 /nfs/dbraw/zinc/29/46/23/502294623.db2.gz LNRWTKJVFRDRPK-UHFFFAOYSA-N 1 1 362.474 3.091 20 5 FGBDMO Cc1ccc(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)c(=O)n1C ZINC000487179817 502382634 /nfs/dbraw/zinc/38/26/34/502382634.db2.gz GIAGEVYQAXTQJJ-UHFFFAOYSA-N 1 1 370.434 3.015 20 5 FGBDMO O=[N+]([O-])c1cnc2ccccc2c1NCCc1[nH+]ccn1Cc1ccccc1 ZINC000487912711 502564511 /nfs/dbraw/zinc/56/45/11/502564511.db2.gz GOWXRHBECXHITI-UHFFFAOYSA-N 1 1 373.416 3.464 20 5 FGBDMO COc1ccc(-c2ccc(C[NH2+]C3(CN(C)C)CCC3)o2)c([N+](=O)[O-])c1 ZINC000466415991 502565296 /nfs/dbraw/zinc/56/52/96/502565296.db2.gz HQFGUGGHXFPIKW-UHFFFAOYSA-N 1 1 359.426 3.437 20 5 FGBDMO Cc1c(CNCc2nc3c(s2)C[N@@H+](C(C)C)CC3)cccc1[N+](=O)[O-] ZINC000480481255 502580093 /nfs/dbraw/zinc/58/00/93/502580093.db2.gz NBEZIZXXBOIZLG-UHFFFAOYSA-N 1 1 360.483 3.416 20 5 FGBDMO C[C@@H](NC(=O)N1CC[N@H+]([C@H]2C[C@H]2C)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000488006503 502597403 /nfs/dbraw/zinc/59/74/03/502597403.db2.gz GGUQAXCNXASSSD-BORJPKMPSA-N 1 1 360.458 3.028 20 5 FGBDMO COCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H]1CCC[C@H]1C ZINC000488038206 502607180 /nfs/dbraw/zinc/60/71/80/502607180.db2.gz YWVTWIPNCRZKSW-KDOFPFPSSA-N 1 1 363.458 3.369 20 5 FGBDMO COCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[C@H]1C ZINC000488035502 502607193 /nfs/dbraw/zinc/60/71/93/502607193.db2.gz OBWVFJUUPUUPMY-DOMZBBRYSA-N 1 1 369.849 3.324 20 5 FGBDMO COC(=O)COc1ccc(CNc2[nH+]cccc2C(C)C)cc1[N+](=O)[O-] ZINC000473487028 502607394 /nfs/dbraw/zinc/60/73/94/502607394.db2.gz IRMWFKYNJCHMLI-UHFFFAOYSA-N 1 1 359.382 3.277 20 5 FGBDMO COCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[C@@H]1C ZINC000488035506 502607455 /nfs/dbraw/zinc/60/74/55/502607455.db2.gz OBWVFJUUPUUPMY-WFASDCNBSA-N 1 1 369.849 3.324 20 5 FGBDMO O=[N+]([O-])c1ccccc1/C=C\CNc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000462877100 502611259 /nfs/dbraw/zinc/61/12/59/502611259.db2.gz MMDJANPGYULWGF-OCTSTCLRSA-N 1 1 353.422 3.287 20 5 FGBDMO CNc1c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000462900870 502619602 /nfs/dbraw/zinc/61/96/02/502619602.db2.gz QBIPOHKQMBTAKR-MRXNPFEDSA-N 1 1 372.425 3.187 20 5 FGBDMO CC[C@@H](OCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 ZINC000592997054 506325903 /nfs/dbraw/zinc/32/59/03/506325903.db2.gz QHKLYKGYQBSAQW-LJQANCHMSA-N 1 1 370.453 3.280 20 5 FGBDMO CCC1CCC([N@@H+](CCO)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000488162405 502643558 /nfs/dbraw/zinc/64/35/58/502643558.db2.gz CTTZMEMMNNKVND-UHFFFAOYSA-N 1 1 363.458 3.105 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@]3(CCCOC3)C2)cccc1[N+](=O)[O-] ZINC000477046158 502659419 /nfs/dbraw/zinc/65/94/19/502659419.db2.gz FSJQNHBOVRLCPX-BEFAXECRSA-N 1 1 361.442 3.123 20 5 FGBDMO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000470148871 502679106 /nfs/dbraw/zinc/67/91/06/502679106.db2.gz XTCNVTNDDGNLFJ-HNNXBMFYSA-N 1 1 358.373 3.130 20 5 FGBDMO COC(=O)[C@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1C ZINC000470149973 502680446 /nfs/dbraw/zinc/68/04/46/502680446.db2.gz VMVOUZUTEBYSNY-ABAIWWIYSA-N 1 1 361.423 3.102 20 5 FGBDMO COC(=O)[C@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1C ZINC000470149973 502680448 /nfs/dbraw/zinc/68/04/48/502680448.db2.gz VMVOUZUTEBYSNY-ABAIWWIYSA-N 1 1 361.423 3.102 20 5 FGBDMO CCN1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1=O ZINC000470154020 502682396 /nfs/dbraw/zinc/68/23/96/502682396.db2.gz BZIGEABNNMIZFD-UHFFFAOYSA-N 1 1 359.451 3.378 20 5 FGBDMO CCN1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1=O ZINC000470154020 502682400 /nfs/dbraw/zinc/68/24/00/502682400.db2.gz BZIGEABNNMIZFD-UHFFFAOYSA-N 1 1 359.451 3.378 20 5 FGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC(=O)NCc1ccccc1 ZINC000470174028 502693388 /nfs/dbraw/zinc/69/33/88/502693388.db2.gz HLWTVXSVUZLJLD-WJDWOHSUSA-N 1 1 353.422 3.246 20 5 FGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CC(=O)NCc1ccccc1 ZINC000470174028 502693391 /nfs/dbraw/zinc/69/33/91/502693391.db2.gz HLWTVXSVUZLJLD-WJDWOHSUSA-N 1 1 353.422 3.246 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000470174529 502695208 /nfs/dbraw/zinc/69/52/08/502695208.db2.gz LVFROBFXRVDRHA-MOKGIYGOSA-N 1 1 359.470 3.183 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000470174529 502695212 /nfs/dbraw/zinc/69/52/12/502695212.db2.gz LVFROBFXRVDRHA-MOKGIYGOSA-N 1 1 359.470 3.183 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000470179191 502697628 /nfs/dbraw/zinc/69/76/28/502697628.db2.gz UCMQEZJTVUHBKC-SPQRHKFCSA-N 1 1 357.454 3.236 20 5 FGBDMO CC[C@H]1Cc2ccccc2C[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000466934457 502732224 /nfs/dbraw/zinc/73/22/24/502732224.db2.gz PAGRJBLTHWMOIP-ZWKOTPCHSA-N 1 1 356.422 3.171 20 5 FGBDMO COCC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H]1CC[C@@H](C)C1 ZINC000484894879 502767477 /nfs/dbraw/zinc/76/74/77/502767477.db2.gz PLMTWKJWVJDFKF-GDBMZVCRSA-N 1 1 363.458 3.369 20 5 FGBDMO CCc1cc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000488716257 502789361 /nfs/dbraw/zinc/78/93/61/502789361.db2.gz QMRYDMYZJRBQPC-HXUWFJFHSA-N 1 1 367.453 3.146 20 5 FGBDMO COCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C[C@@H]1CC=CCC1 ZINC000485095718 502814808 /nfs/dbraw/zinc/81/48/08/502814808.db2.gz OEMDMEDRUYXNEL-MRXNPFEDSA-N 1 1 361.442 3.146 20 5 FGBDMO CCCC[N@@H+](C)CCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000488963602 502848385 /nfs/dbraw/zinc/84/83/85/502848385.db2.gz VGDAQSKMNSCGST-UHFFFAOYSA-N 1 1 362.455 3.180 20 5 FGBDMO COCC[N@@H+](C)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000505073003 502848479 /nfs/dbraw/zinc/84/84/79/502848479.db2.gz DCGNGQIPVHULPN-LJQANCHMSA-N 1 1 371.437 3.034 20 5 FGBDMO COc1ccc(C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)cc1[N+](=O)[O-] ZINC000488965313 502849106 /nfs/dbraw/zinc/84/91/06/502849106.db2.gz LDWYLFASIJYPPQ-AWEZNQCLSA-N 1 1 361.373 3.181 20 5 FGBDMO COc1ccc(C[N@H+]2CCC[C@H](Oc3ncccc3F)C2)cc1[N+](=O)[O-] ZINC000488965313 502849107 /nfs/dbraw/zinc/84/91/07/502849107.db2.gz LDWYLFASIJYPPQ-AWEZNQCLSA-N 1 1 361.373 3.181 20 5 FGBDMO C[C@@H](c1nnc(-c2cccs2)o1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488977267 502852624 /nfs/dbraw/zinc/85/26/24/502852624.db2.gz IVHXLKSRUPIJNE-NSHDSACASA-N 1 1 374.426 3.301 20 5 FGBDMO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509264875 502862317 /nfs/dbraw/zinc/86/23/17/502862317.db2.gz SVWKDSHZXSUVNK-OLZOCXBDSA-N 1 1 369.412 3.390 20 5 FGBDMO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509264875 502862322 /nfs/dbraw/zinc/86/23/22/502862322.db2.gz SVWKDSHZXSUVNK-OLZOCXBDSA-N 1 1 369.412 3.390 20 5 FGBDMO C[NH+](C)Cc1cc(NC(=O)COc2ccccc2[N+](=O)[O-])ccc1Cl ZINC000500784702 502862673 /nfs/dbraw/zinc/86/26/73/502862673.db2.gz BSWFJNHKAHVEBG-UHFFFAOYSA-N 1 1 363.801 3.327 20 5 FGBDMO CCCCCC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000489132280 502886042 /nfs/dbraw/zinc/88/60/42/502886042.db2.gz XCWAKPJLWUHTGK-UHFFFAOYSA-N 1 1 363.458 3.264 20 5 FGBDMO Cc1cc(N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489199226 502899555 /nfs/dbraw/zinc/89/95/55/502899555.db2.gz SCDBZGOMPKMKBD-ZBFHGGJFSA-N 1 1 369.469 3.314 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000509509478 502921520 /nfs/dbraw/zinc/92/15/20/502921520.db2.gz KWLDGSQHUYPGNP-STQMWFEESA-N 1 1 351.472 3.262 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000509509478 502921524 /nfs/dbraw/zinc/92/15/24/502921524.db2.gz KWLDGSQHUYPGNP-STQMWFEESA-N 1 1 351.472 3.262 20 5 FGBDMO C[C@H]1COc2ccccc2C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501053496 502922827 /nfs/dbraw/zinc/92/28/27/502922827.db2.gz KUSNTEOGBOCYMZ-AWEZNQCLSA-N 1 1 355.394 3.207 20 5 FGBDMO CC[C@H](O)C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000501052220 502922857 /nfs/dbraw/zinc/92/28/57/502922857.db2.gz OENZOVSIDHGTSN-KRWDZBQOSA-N 1 1 371.437 3.197 20 5 FGBDMO C[N@H+]1C[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000497413258 502952892 /nfs/dbraw/zinc/95/28/92/502952892.db2.gz APDZCNDJZXOXQS-IRXDYDNUSA-N 1 1 359.813 3.076 20 5 FGBDMO Cc1nc(CC[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)sc1C ZINC000513666793 502995391 /nfs/dbraw/zinc/99/53/91/502995391.db2.gz OBPWKDGFMDSLCR-KRWDZBQOSA-N 1 1 371.466 3.323 20 5 FGBDMO C[C@]1(CNC(=O)c2csc([N+](=O)[O-])c2)CCC[N@H+]1Cc1ccccc1 ZINC000490515380 503187261 /nfs/dbraw/zinc/18/72/61/503187261.db2.gz VZPIZFTVYXJUTO-GOSISDBHSA-N 1 1 359.451 3.441 20 5 FGBDMO C[C@H](C(=O)NCCC1=CCCCC1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511072546 503247040 /nfs/dbraw/zinc/24/70/40/503247040.db2.gz FQTAHFUGWRYPFW-MRXNPFEDSA-N 1 1 359.470 3.464 20 5 FGBDMO C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511072546 503247043 /nfs/dbraw/zinc/24/70/43/503247043.db2.gz FQTAHFUGWRYPFW-MRXNPFEDSA-N 1 1 359.470 3.464 20 5 FGBDMO CCc1ccc(CNC(=O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000511088710 503250903 /nfs/dbraw/zinc/25/09/03/503250903.db2.gz HKNHLSQRKKNXIB-UHFFFAOYSA-N 1 1 361.467 3.009 20 5 FGBDMO CCc1ccc(CNC(=O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000511088710 503250909 /nfs/dbraw/zinc/25/09/09/503250909.db2.gz HKNHLSQRKKNXIB-UHFFFAOYSA-N 1 1 361.467 3.009 20 5 FGBDMO Cc1sc2nc(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])nc(N)c2c1C ZINC000511108921 503256698 /nfs/dbraw/zinc/25/66/98/503256698.db2.gz SOCNLKGNNMLPKV-UHFFFAOYSA-N 1 1 371.466 3.473 20 5 FGBDMO Cc1sc2nc(C[N@@H+](C)CCc3ccccc3[N+](=O)[O-])nc(N)c2c1C ZINC000511108921 503256699 /nfs/dbraw/zinc/25/66/99/503256699.db2.gz SOCNLKGNNMLPKV-UHFFFAOYSA-N 1 1 371.466 3.473 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000507299779 503273404 /nfs/dbraw/zinc/27/34/04/503273404.db2.gz CPCFBVUCIYRZPG-OLZOCXBDSA-N 1 1 363.483 3.452 20 5 FGBDMO O=C1[C@H]([N@H+]2CCCc3ccccc3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000498920769 503294534 /nfs/dbraw/zinc/29/45/34/503294534.db2.gz ZECSQYQSFOBZEB-LJQANCHMSA-N 1 1 351.406 3.149 20 5 FGBDMO Cc1c(Br)c(N[C@@H]2CC[N@H+](C(C)(C)C)C2)ncc1[N+](=O)[O-] ZINC000596336081 506362903 /nfs/dbraw/zinc/36/29/03/506362903.db2.gz LRTVGJXDCNEHIM-SNVBAGLBSA-N 1 1 357.252 3.345 20 5 FGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000511633080 503359266 /nfs/dbraw/zinc/35/92/66/503359266.db2.gz ZJMXKKZEBOHCKO-GUDVDZBRSA-N 1 1 368.433 3.478 20 5 FGBDMO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)c2ccc(Br)cc2)cs1 ZINC000503247758 503376773 /nfs/dbraw/zinc/37/67/73/503376773.db2.gz TZFOXYVDHUVBNG-GFCCVEGCSA-N 1 1 357.229 3.242 20 5 FGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c1 ZINC000511760933 503382646 /nfs/dbraw/zinc/38/26/46/503382646.db2.gz YROMMWJUVYRNPO-QHAWAJNXSA-N 1 1 368.433 3.478 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000499421983 503399401 /nfs/dbraw/zinc/39/94/01/503399401.db2.gz LDHWADWXJQPGPT-IRXDYDNUSA-N 1 1 367.449 3.259 20 5 FGBDMO O=[N+]([O-])c1cccc(CN2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000593068964 506372643 /nfs/dbraw/zinc/37/26/43/506372643.db2.gz QETSDVOAWBBPLT-NHCUHLMSSA-N 1 1 367.449 3.070 20 5 FGBDMO COc1cc(N2CC[NH+](Cc3ccccc3C)CC2)c(F)cc1[N+](=O)[O-] ZINC000508234103 503459364 /nfs/dbraw/zinc/45/93/64/503459364.db2.gz ZENQQTCBTJHIAX-UHFFFAOYSA-N 1 1 359.401 3.373 20 5 FGBDMO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])[C@H](C)C1 ZINC000516193214 503467047 /nfs/dbraw/zinc/46/70/47/503467047.db2.gz IAGJKJVYTLLJGD-AYOQOUSVSA-N 1 1 361.486 3.309 20 5 FGBDMO CC(C)N1C[C@@H]([NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000493994875 503471605 /nfs/dbraw/zinc/47/16/05/503471605.db2.gz ATPJCAPZMTYMTJ-FXAWDEMLSA-N 1 1 353.422 3.283 20 5 FGBDMO O=[N+]([O-])c1ccc(OCC[N@H+](CCCO)[C@H]2CCc3ccccc32)cc1 ZINC000512338393 503523729 /nfs/dbraw/zinc/52/37/29/503523729.db2.gz XYQRIAOSZUJILE-FQEVSTJZSA-N 1 1 356.422 3.346 20 5 FGBDMO Cc1c(NC(=O)CC[N@@H+]2CCCCC[C@@H]2C[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000512427467 503547237 /nfs/dbraw/zinc/54/72/37/503547237.db2.gz LZAKHTBEBLSTCL-GDBMZVCRSA-N 1 1 363.458 3.247 20 5 FGBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000516611391 503549524 /nfs/dbraw/zinc/54/95/24/503549524.db2.gz WGSPNACYSAWSMQ-LLVKDONJSA-N 1 1 359.373 3.046 20 5 FGBDMO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000516626549 503554696 /nfs/dbraw/zinc/55/46/96/503554696.db2.gz BJIISBCMTGXXSS-UHFFFAOYSA-N 1 1 357.414 3.129 20 5 FGBDMO CC[C@@H]1CN(c2c([N+](=O)[O-])nc(C)n2CC)CC[N@H+]1Cc1ccccc1 ZINC000516677929 503566491 /nfs/dbraw/zinc/56/64/91/503566491.db2.gz YBPYETAMTBIPQP-QGZVFWFLSA-N 1 1 357.458 3.220 20 5 FGBDMO C[C@]1(c2ccccc2)CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000500184787 503574404 /nfs/dbraw/zinc/57/44/04/503574404.db2.gz WMZOHEDEWIDHIB-FPOVZHCZSA-N 1 1 370.449 3.388 20 5 FGBDMO C[C@H](CCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000593084972 506382794 /nfs/dbraw/zinc/38/27/94/506382794.db2.gz UZTZYPWQHGJMRP-OAHLLOKOSA-N 1 1 373.428 3.303 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@H](COC(F)F)C3)co2)cc1 ZINC000512806317 503636133 /nfs/dbraw/zinc/63/61/33/503636133.db2.gz UAYQCKBBSDACHD-NSHDSACASA-N 1 1 353.325 3.311 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@H](COC(F)F)C3)co2)cc1 ZINC000512806317 503636134 /nfs/dbraw/zinc/63/61/34/503636134.db2.gz UAYQCKBBSDACHD-NSHDSACASA-N 1 1 353.325 3.311 20 5 FGBDMO COC(=O)CC[N@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000536682487 503678334 /nfs/dbraw/zinc/67/83/34/503678334.db2.gz ROVGYGPHAJMUBD-INIZCTEOSA-N 1 1 364.442 3.262 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000543206946 503679549 /nfs/dbraw/zinc/67/95/49/503679549.db2.gz GQYVUTBFYYVOER-MOPGFXCFSA-N 1 1 370.449 3.289 20 5 FGBDMO CC[N@@H+](CCC1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1)CC(C)C ZINC000540237370 503719782 /nfs/dbraw/zinc/71/97/82/503719782.db2.gz UVTVKFNNAQKKKE-UHFFFAOYSA-N 1 1 364.490 3.154 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2c[nH+]ccc2-n2cccn2)c1 ZINC000518025111 503892917 /nfs/dbraw/zinc/89/29/17/503892917.db2.gz FZSQAIODXQIRMV-UHFFFAOYSA-N 1 1 355.379 3.150 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+](C)[C@@H]2CCOC2)cc1OC ZINC000543842532 503912155 /nfs/dbraw/zinc/91/21/55/503912155.db2.gz NWTBALXAOGUTMR-DZGCQCFKSA-N 1 1 352.431 3.249 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+](C)[C@@H]2CCOC2)cc1OC ZINC000543842532 503912159 /nfs/dbraw/zinc/91/21/59/503912159.db2.gz NWTBALXAOGUTMR-DZGCQCFKSA-N 1 1 352.431 3.249 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+](C)[C@H]2CCOC2)cc1OC ZINC000543842535 503912221 /nfs/dbraw/zinc/91/22/21/503912221.db2.gz NWTBALXAOGUTMR-ZFWWWQNUSA-N 1 1 352.431 3.249 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+](C)[C@H]2CCOC2)cc1OC ZINC000543842535 503912226 /nfs/dbraw/zinc/91/22/26/503912226.db2.gz NWTBALXAOGUTMR-ZFWWWQNUSA-N 1 1 352.431 3.249 20 5 FGBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CC[N@@H+](C)C[C@@H]2C)cc1OC ZINC000543844810 503913364 /nfs/dbraw/zinc/91/33/64/503913364.db2.gz AVKJKGHYVCLNEM-CABCVRRESA-N 1 1 365.474 3.164 20 5 FGBDMO COc1cc2c(cc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)OCO2 ZINC000546961479 503938320 /nfs/dbraw/zinc/93/83/20/503938320.db2.gz CFQPUORHDPQTBW-UHFFFAOYSA-N 1 1 356.378 3.497 20 5 FGBDMO COc1cc2c(cc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)OCO2 ZINC000546961479 503938325 /nfs/dbraw/zinc/93/83/25/503938325.db2.gz CFQPUORHDPQTBW-UHFFFAOYSA-N 1 1 356.378 3.497 20 5 FGBDMO Cc1ccc([C@@H](C)NC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000533818143 503962221 /nfs/dbraw/zinc/96/22/21/503962221.db2.gz CBQAHHBRVKSMTO-KDOFPFPSSA-N 1 1 368.437 3.450 20 5 FGBDMO Cc1ccc([C@@H](C)NC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000533818143 503962226 /nfs/dbraw/zinc/96/22/26/503962226.db2.gz CBQAHHBRVKSMTO-KDOFPFPSSA-N 1 1 368.437 3.450 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])c(Nc2ccc(CC[NH+]3CCOCC3)cc2)n1 ZINC000541005058 503972784 /nfs/dbraw/zinc/97/27/84/503972784.db2.gz IQJLHCDQMCJSMT-UHFFFAOYSA-N 1 1 356.426 3.225 20 5 FGBDMO COc1ccc(NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000541107625 504010026 /nfs/dbraw/zinc/01/00/26/504010026.db2.gz ZZJTZMCLFXZCTH-CQSZACIVSA-N 1 1 364.446 3.380 20 5 FGBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2c2ccc(Br)s2)c1 ZINC000544191687 504042629 /nfs/dbraw/zinc/04/26/29/504042629.db2.gz PULGROQYOABKSG-LLVKDONJSA-N 1 1 371.260 3.452 20 5 FGBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]2c2ccc(Br)s2)c1 ZINC000544191687 504042632 /nfs/dbraw/zinc/04/26/32/504042632.db2.gz PULGROQYOABKSG-LLVKDONJSA-N 1 1 371.260 3.452 20 5 FGBDMO C[C@@H]1CCC[C@H](C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 ZINC000537807510 504048329 /nfs/dbraw/zinc/04/83/29/504048329.db2.gz DBSKQHLTPONWDJ-KGLIPLIRSA-N 1 1 351.472 3.240 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534244818 504082364 /nfs/dbraw/zinc/08/23/64/504082364.db2.gz POCOWEVIVZIPOE-FZMZJTMJSA-N 1 1 367.812 3.226 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534244818 504082368 /nfs/dbraw/zinc/08/23/68/504082368.db2.gz POCOWEVIVZIPOE-FZMZJTMJSA-N 1 1 367.812 3.226 20 5 FGBDMO Cc1ccc2[nH]c(C[NH+]3CCN(c4ccc([N+](=O)[O-])nc4)CC3)cc2c1C ZINC000547449314 504109496 /nfs/dbraw/zinc/10/94/96/504109496.db2.gz PVLROULXYWZKHG-UHFFFAOYSA-N 1 1 365.437 3.410 20 5 FGBDMO Cc1cccc(C)c1NC(=O)CCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000544440271 504136016 /nfs/dbraw/zinc/13/60/16/504136016.db2.gz GGORYAHUGLVOFG-UHFFFAOYSA-N 1 1 368.437 3.384 20 5 FGBDMO Cc1cccc(C)c1NC(=O)CCC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000544440271 504136023 /nfs/dbraw/zinc/13/60/23/504136023.db2.gz GGORYAHUGLVOFG-UHFFFAOYSA-N 1 1 368.437 3.384 20 5 FGBDMO COC(=O)c1cc(N[C@@H]2C[N@@H+](C)Cc3ccccc32)cc(C)c1[N+](=O)[O-] ZINC000534530971 504167990 /nfs/dbraw/zinc/16/79/90/504167990.db2.gz SAUFLYCCKOSNLK-QGZVFWFLSA-N 1 1 355.394 3.288 20 5 FGBDMO Cc1ccc(CN(C(=O)C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000538227358 504168684 /nfs/dbraw/zinc/16/86/84/504168684.db2.gz PSMCRGYZAONZKR-AWEZNQCLSA-N 1 1 357.410 3.338 20 5 FGBDMO COCC[C@@H]([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000541646796 504209380 /nfs/dbraw/zinc/20/93/80/504209380.db2.gz FYEPVDCAESOTDP-CQSZACIVSA-N 1 1 361.398 3.111 20 5 FGBDMO COCC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccc2c(c1)OCO2 ZINC000538729492 504347461 /nfs/dbraw/zinc/34/74/61/504347461.db2.gz UIOJRQMLNUONLN-GQCTYLIASA-N 1 1 370.405 3.485 20 5 FGBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000545197459 504393043 /nfs/dbraw/zinc/39/30/43/504393043.db2.gz KSQIMBDPDBPMQP-OXJNMPFZSA-N 1 1 367.449 3.466 20 5 FGBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000545197459 504393048 /nfs/dbraw/zinc/39/30/48/504393048.db2.gz KSQIMBDPDBPMQP-OXJNMPFZSA-N 1 1 367.449 3.466 20 5 FGBDMO COC1CC[NH+](C2(CNCc3ccc(C)c([N+](=O)[O-])c3)CCCC2)CC1 ZINC000520228948 504440715 /nfs/dbraw/zinc/44/07/15/504440715.db2.gz WCGJPQJSOXFJJW-UHFFFAOYSA-N 1 1 361.486 3.416 20 5 FGBDMO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000548453709 504452013 /nfs/dbraw/zinc/45/20/13/504452013.db2.gz JZEJKYHQEXRROO-CQSZACIVSA-N 1 1 356.426 3.089 20 5 FGBDMO CC(C)[N@@H+](C)CC1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000531881816 504458150 /nfs/dbraw/zinc/45/81/50/504458150.db2.gz HPHRCHNRPKVNMV-UHFFFAOYSA-N 1 1 371.279 3.309 20 5 FGBDMO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccccc1[N+](=O)[O-] 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ZINC000554835388 505275987 /nfs/dbraw/zinc/27/59/87/505275987.db2.gz URKAIYXAASTVNH-LBPRGKRZSA-N 1 1 363.364 3.375 20 5 FGBDMO CC1=C(c2ccco2)C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000554837794 505276263 /nfs/dbraw/zinc/27/62/63/505276263.db2.gz WBCXXIPGQIQVMQ-GOSISDBHSA-N 1 1 367.405 3.473 20 5 FGBDMO CC1=C(c2ccco2)C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000554837794 505276265 /nfs/dbraw/zinc/27/62/65/505276265.db2.gz WBCXXIPGQIQVMQ-GOSISDBHSA-N 1 1 367.405 3.473 20 5 FGBDMO Cc1c(CNC(=O)N(C)CCC[N@@H+](C)Cc2ccco2)cccc1[N+](=O)[O-] ZINC000558017831 505287167 /nfs/dbraw/zinc/28/71/67/505287167.db2.gz MDMIJMZXYKOEEV-UHFFFAOYSA-N 1 1 374.441 3.160 20 5 FGBDMO C[C@H](CO)[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000564321550 505384072 /nfs/dbraw/zinc/38/40/72/505384072.db2.gz XCMUMZVICNBLLY-OAHLLOKOSA-N 1 1 366.421 3.260 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]CCCc1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000552063147 505387287 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XIWABCNXBJDWDH-LJQANCHMSA-N 1 1 359.470 3.298 20 5 FGBDMO C[C@@H](O)C[C@@H]1COCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000561983020 505485187 /nfs/dbraw/zinc/48/51/87/505485187.db2.gz MPAZLLGBOMIHRA-ZIAGYGMSSA-N 1 1 362.451 3.295 20 5 FGBDMO C[C@@H](O)C[C@@H]1COCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000561983020 505485191 /nfs/dbraw/zinc/48/51/91/505485191.db2.gz MPAZLLGBOMIHRA-ZIAGYGMSSA-N 1 1 362.451 3.295 20 5 FGBDMO CCc1[nH+]ccn1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000562038909 505499359 /nfs/dbraw/zinc/49/93/59/505499359.db2.gz SUASYGQICTVTNO-UHFFFAOYSA-N 1 1 357.151 3.007 20 5 FGBDMO C[C@@H]1c2ccc(F)cc2CC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612079651 506423932 /nfs/dbraw/zinc/42/39/32/506423932.db2.gz WXALKMUPAIHZOI-CZUORRHYSA-N 1 1 360.385 3.093 20 5 FGBDMO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612079651 506423940 /nfs/dbraw/zinc/42/39/40/506423940.db2.gz WXALKMUPAIHZOI-CZUORRHYSA-N 1 1 360.385 3.093 20 5 FGBDMO CCOc1cc(N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)ccc1[N+](=O)[O-] ZINC000596515153 506441954 /nfs/dbraw/zinc/44/19/54/506441954.db2.gz XNYUMPOFVJPVCF-QZTJIDSGSA-N 1 1 361.442 3.049 20 5 FGBDMO O=[N+]([O-])c1cc(F)ccc1Cn1cc(C[NH2+][C@H]2CCc3ccccc32)nn1 ZINC000603222757 506461368 /nfs/dbraw/zinc/46/13/68/506461368.db2.gz CVNOFELVMWUYHR-SFHVURJKSA-N 1 1 367.384 3.151 20 5 FGBDMO CC(C)C[N@@H+](C)CCCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000593203523 506462061 /nfs/dbraw/zinc/46/20/61/506462061.db2.gz MIBJDMYCKFTBNH-UHFFFAOYSA-N 1 1 353.438 3.106 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c([N+](=O)[O-])cc1OC ZINC000589200126 506481000 /nfs/dbraw/zinc/48/10/00/506481000.db2.gz RRCVVAPHTXSANC-GJZGRUSLSA-N 1 1 364.442 3.251 20 5 FGBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000596658072 506514349 /nfs/dbraw/zinc/51/43/49/506514349.db2.gz PLGZLHQYHNANDK-KRWDZBQOSA-N 1 1 362.474 3.388 20 5 FGBDMO 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CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C12CCC2 ZINC000589505380 506571989 /nfs/dbraw/zinc/57/19/89/506571989.db2.gz GHIGPJQVXMNCNS-DLBZAZTESA-N 1 1 362.426 3.161 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](C)c2ccc(OC)c(F)c2)c1 ZINC000589507908 506573980 /nfs/dbraw/zinc/57/39/80/506573980.db2.gz DGXMEBNQYJVIRT-NSHDSACASA-N 1 1 362.357 3.380 20 5 FGBDMO COCC[N@@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])[C@@H]1CC[C@H](C)C1 ZINC000589512917 506574003 /nfs/dbraw/zinc/57/40/03/506574003.db2.gz PNUVMWOFYSMJDG-XJKSGUPXSA-N 1 1 350.415 3.018 20 5 FGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3cnc(N4CCCC4)nc3)C2)cc1 ZINC000583184606 506635493 /nfs/dbraw/zinc/63/54/93/506635493.db2.gz MYUCVUUOFGGNLX-GOSISDBHSA-N 1 1 367.453 3.365 20 5 FGBDMO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)[N@H+]1CCC[C@H](C)C1 ZINC000599830481 506663271 /nfs/dbraw/zinc/66/32/71/506663271.db2.gz JENACXIVRIUSLI-UONOGXRCSA-N 1 1 371.441 3.385 20 5 FGBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599830923 506663900 /nfs/dbraw/zinc/66/39/00/506663900.db2.gz ZNMVVAKCDNQNCH-ZIAGYGMSSA-N 1 1 371.441 3.385 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cc4ccncc4s3)C2)nc1 ZINC000597013384 506731026 /nfs/dbraw/zinc/73/10/26/506731026.db2.gz JIWQENQWINXQRI-ZDUSSCGKSA-N 1 1 355.423 3.286 20 5 FGBDMO CC(=O)NCC[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000590182994 506760144 /nfs/dbraw/zinc/76/01/44/506760144.db2.gz GOIBDRYJHCNROF-CYBMUJFWSA-N 1 1 373.375 3.352 20 5 FGBDMO CC(=O)NCC[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000590182994 506760152 /nfs/dbraw/zinc/76/01/52/506760152.db2.gz GOIBDRYJHCNROF-CYBMUJFWSA-N 1 1 373.375 3.352 20 5 FGBDMO CC1(C)CN(c2nc3sccn3c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000609193425 506808728 /nfs/dbraw/zinc/80/87/28/506808728.db2.gz IIAUMXSCMKVVSY-UHFFFAOYSA-N 1 1 371.466 3.405 20 5 FGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c[nH+]ccc1-n1cccn1 ZINC000609285596 506834697 /nfs/dbraw/zinc/83/46/97/506834697.db2.gz ONJGJCBMRYKFJU-GFCCVEGCSA-N 1 1 369.406 3.295 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+]3CC[C@@H]4COC[C@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000597232378 506850109 /nfs/dbraw/zinc/85/01/09/506850109.db2.gz UIPINGAZPDKKHB-ZIAGYGMSSA-N 1 1 358.394 3.332 20 5 FGBDMO O=C(CSc1ccccc1[N+](=O)[O-])NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000600229129 506861227 /nfs/dbraw/zinc/86/12/27/506861227.db2.gz PVVRVXFOHWQGKW-OAHLLOKOSA-N 1 1 363.483 3.210 20 5 FGBDMO CC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccccc1F ZINC000594019178 506887624 /nfs/dbraw/zinc/88/76/24/506887624.db2.gz CUHSWWXWKVVFQW-OAHLLOKOSA-N 1 1 361.373 3.422 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](OC3CCC3)C2)cccc1[N+](=O)[O-] ZINC000594026969 506891698 /nfs/dbraw/zinc/89/16/98/506891698.db2.gz RCUBNMKWXJDSED-GOEBONIOSA-N 1 1 361.442 3.264 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](OC3CCC3)C2)cccc1[N+](=O)[O-] ZINC000594026969 506891704 /nfs/dbraw/zinc/89/17/04/506891704.db2.gz RCUBNMKWXJDSED-GOEBONIOSA-N 1 1 361.442 3.264 20 5 FGBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000609489261 506897912 /nfs/dbraw/zinc/89/79/12/506897912.db2.gz FBCLZLLCDQDZRV-CQSZACIVSA-N 1 1 363.458 3.234 20 5 FGBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](c3ccco3)C2)c([N+](=O)[O-])c1 ZINC000609540412 506915210 /nfs/dbraw/zinc/91/52/10/506915210.db2.gz VOQZJNFAZVLUMG-CHWSQXEVSA-N 1 1 359.382 3.013 20 5 FGBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](c3ccco3)C2)c([N+](=O)[O-])c1 ZINC000609540412 506915213 /nfs/dbraw/zinc/91/52/13/506915213.db2.gz VOQZJNFAZVLUMG-CHWSQXEVSA-N 1 1 359.382 3.013 20 5 FGBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000609546209 506918177 /nfs/dbraw/zinc/91/81/77/506918177.db2.gz MVDXAPNKDDPXGW-HNNXBMFYSA-N 1 1 362.474 3.295 20 5 FGBDMO C[NH+](C)[C@@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000609548722 506919996 /nfs/dbraw/zinc/91/99/96/506919996.db2.gz ZORSDRMTBZVOHZ-QGZVFWFLSA-N 1 1 361.829 3.210 20 5 FGBDMO CC(C)[N@@H+](C)CC1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000609560377 506922389 /nfs/dbraw/zinc/92/23/89/506922389.db2.gz IDYYPIHQVYWWFA-UHFFFAOYSA-N 1 1 374.485 3.044 20 5 FGBDMO CC(C)Oc1cc(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000594194907 506999739 /nfs/dbraw/zinc/99/97/39/506999739.db2.gz AJMYIUSRPYIILZ-HOTGVXAUSA-N 1 1 361.442 3.129 20 5 FGBDMO CC(C)(C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1F ZINC000594195089 507000200 /nfs/dbraw/zinc/00/02/00/507000200.db2.gz BXAIJRWNIRFIHI-DLBZAZTESA-N 1 1 363.433 3.145 20 5 FGBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000594198088 507001410 /nfs/dbraw/zinc/00/14/10/507001410.db2.gz ROOVERPHZSQYIH-UONOGXRCSA-N 1 1 371.359 3.360 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)c1 ZINC000609916495 507049178 /nfs/dbraw/zinc/04/91/78/507049178.db2.gz UMLDKHSQPHQJCW-QFBILLFUSA-N 1 1 374.412 3.038 20 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COc1ccc(CN2CC[C@H]([NH2+][C@@H](C)c3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000610420526 507233398 /nfs/dbraw/zinc/23/33/98/507233398.db2.gz HXXQWEUUKGDXTC-KSSFIOAISA-N 1 1 369.421 3.055 20 5 FGBDMO CCN(Cc1ccccc1)C(=O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595010504 507352846 /nfs/dbraw/zinc/35/28/46/507352846.db2.gz WZWPQISXZGHZLO-OAHLLOKOSA-N 1 1 371.437 3.303 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCN(c2ccccc2F)C1=O ZINC000595020023 507357459 /nfs/dbraw/zinc/35/74/59/507357459.db2.gz UJIFOQIAXIEDPV-BLLLJJGKSA-N 1 1 373.384 3.199 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000595035071 507362527 /nfs/dbraw/zinc/36/25/27/507362527.db2.gz UOKADQXDKWQWJD-ZDUSSCGKSA-N 1 1 372.425 3.317 20 5 FGBDMO CCOC(=O)Cc1ccc(NC[C@@H]2CC[N@@H+](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC000591921188 507409197 /nfs/dbraw/zinc/40/91/97/507409197.db2.gz NMQVXHQLZAGYJM-INIZCTEOSA-N 1 1 363.458 3.090 20 5 FGBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000598466198 507437289 /nfs/dbraw/zinc/43/72/89/507437289.db2.gz NKTPINHKWKRPND-UHFFFAOYSA-N 1 1 362.474 3.045 20 5 FGBDMO C[C@@H](NC(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000595484329 507524971 /nfs/dbraw/zinc/52/49/71/507524971.db2.gz ZKQOVJMQNJTGNR-DNVCBOLYSA-N 1 1 368.437 3.230 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](C(C)(C)C(=O)OC)C1 ZINC000611321110 507618940 /nfs/dbraw/zinc/61/89/40/507618940.db2.gz FPTAFSJQMXNXNI-OAHLLOKOSA-N 1 1 364.442 3.405 20 5 FGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000611350858 507636427 /nfs/dbraw/zinc/63/64/27/507636427.db2.gz VFKZCVPHFVGXHA-OAGGEKHMSA-N 1 1 361.442 3.060 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@H](C)[C@H]2CCO)c([N+](=O)[O-])cc1OC(F)F ZINC000595704788 507640814 /nfs/dbraw/zinc/64/08/14/507640814.db2.gz VNCWFNVNJQGOES-WCQYABFASA-N 1 1 374.384 3.188 20 5 FGBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](CCF)C2)c([N+](=O)[O-])c1 ZINC000595756751 507670783 /nfs/dbraw/zinc/67/07/83/507670783.db2.gz WIZFKKPXCQTSAY-ZDUSSCGKSA-N 1 1 353.394 3.004 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595790972 507688186 /nfs/dbraw/zinc/68/81/86/507688186.db2.gz RPYDLWLDPLVTNP-QAPCUYQASA-N 1 1 361.442 3.123 20 5 FGBDMO CCCC(=O)NC1CC[NH+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602446323 507713156 /nfs/dbraw/zinc/71/31/56/507713156.db2.gz BXGYACJXRSAIKE-UHFFFAOYSA-N 1 1 373.375 3.494 20 5 FGBDMO CCO[C@H]1CCC[N@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000611517842 507717009 /nfs/dbraw/zinc/71/70/09/507717009.db2.gz WTVGZCRHTNFCLZ-ZDUSSCGKSA-N 1 1 374.384 3.248 20 5 FGBDMO CCO[C@H]1CCC[N@@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000611517842 507717012 /nfs/dbraw/zinc/71/70/12/507717012.db2.gz WTVGZCRHTNFCLZ-ZDUSSCGKSA-N 1 1 374.384 3.248 20 5 FGBDMO O=C(C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)NC1CCCC1 ZINC000611520852 507720150 /nfs/dbraw/zinc/72/01/50/507720150.db2.gz DHKOPOUMFATPOO-FQEVSTJZSA-N 1 1 353.422 3.333 20 5 FGBDMO CCOc1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1OC ZINC000602511381 507731809 /nfs/dbraw/zinc/73/18/09/507731809.db2.gz QXTRYYGGUCVMTL-UHFFFAOYSA-N 1 1 357.366 3.433 20 5 FGBDMO COCCOc1cccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000602521396 507736798 /nfs/dbraw/zinc/73/67/98/507736798.db2.gz QIWVUQNIAYRSJO-UHFFFAOYSA-N 1 1 357.366 3.051 20 5 FGBDMO O=[N+]([O-])c1ccccc1CN1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000595906912 507737528 /nfs/dbraw/zinc/73/75/28/507737528.db2.gz CKCCIBDFLAPKKA-UHFFFAOYSA-N 1 1 369.469 3.165 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@@H](COc3ccccc3)C1)OCCO2 ZINC000611561459 507741252 /nfs/dbraw/zinc/74/12/52/507741252.db2.gz DSEYXGRSPQUBSK-OAHLLOKOSA-N 1 1 370.405 3.267 20 5 FGBDMO CC(C)N(C(=O)c1ccc([N+](=O)[O-])n1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000592693965 507766748 /nfs/dbraw/zinc/76/67/48/507766748.db2.gz FORGTHAZQCSALF-QGZVFWFLSA-N 1 1 370.453 3.058 20 5 FGBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cccc(-c2nn[nH]n2)c1F ZINC000824296961 608387877 /nfs/dbraw/zinc/38/78/77/608387877.db2.gz MYHMXUIRHBFUFV-UHFFFAOYSA-N 1 1 370.388 3.325 20 5 FGBDMO O=[N+]([O-])c1cccc2ncnc(NCC[N@H+]3CCc4sccc4C3)c21 ZINC000543449820 673648007 /nfs/dbraw/zinc/64/80/07/673648007.db2.gz RUYRILYILHHMPG-UHFFFAOYSA-N 1 1 355.423 3.070 20 5 FGBDMO CCCCCNC(=O)C1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000051802945 695916695 /nfs/dbraw/zinc/91/66/95/695916695.db2.gz BLRLCMYCGZZNFG-UHFFFAOYSA-N 1 1 351.422 3.252 20 5 FGBDMO CCCCN(C)C(=O)C1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000052187147 695920528 /nfs/dbraw/zinc/92/05/28/695920528.db2.gz YOMNAXZDQMIPAZ-UHFFFAOYSA-N 1 1 351.422 3.204 20 5 FGBDMO COc1cc(C[NH2+]Cc2ccc(OC)c(Cl)c2)c([N+](=O)[O-])cc1O ZINC000132326713 700826373 /nfs/dbraw/zinc/82/63/73/700826373.db2.gz SKAOOCXDQOUYKB-UHFFFAOYSA-N 1 1 352.774 3.261 20 5 FGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)c(Cl)c1 ZINC000374666876 713938214 /nfs/dbraw/zinc/93/82/14/713938214.db2.gz XTTKZSHCCUKAAC-ZDUSSCGKSA-N 1 1 354.834 3.266 20 5 FGBDMO C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@@H]1CCCC[C@H]1O ZINC000779152806 724395826 /nfs/dbraw/zinc/39/58/26/724395826.db2.gz GNOPTGUDWJMHGC-SWLSCSKDSA-N 1 1 357.248 3.340 20 5 FGBDMO COc1cc(COC(=O)CC[C@H]2CCCC[N@H+]2C)c([N+](=O)[O-])cc1F ZINC000803854491 724475410 /nfs/dbraw/zinc/47/54/10/724475410.db2.gz SEJVFBOSZOFUNQ-CYBMUJFWSA-N 1 1 354.378 3.050 20 5 FGBDMO C[C@H]([NH2+][C@@H](C)c1cncc(F)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000783014143 724716231 /nfs/dbraw/zinc/71/62/31/724716231.db2.gz UGOYMNIZDBZVKA-UWVGGRQHSA-N 1 1 366.780 3.460 20 5 FGBDMO C[N@H+]1CCC[C@@H]1CCN1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792916571 723382259 /nfs/dbraw/zinc/38/22/59/723382259.db2.gz ZCPIOVGZSSSBLH-GFCCVEGCSA-N 1 1 368.275 3.200 20 5 FGBDMO Cc1[nH+]ccn1CCCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000794426098 723520588 /nfs/dbraw/zinc/52/05/88/723520588.db2.gz CRLWGHDDGWUXPL-UHFFFAOYSA-N 1 1 367.203 3.281 20 5 FGBDMO C[N@H+]1CCC[C@@H]2CN(c3cc(Br)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000765545604 723522934 /nfs/dbraw/zinc/52/29/34/723522934.db2.gz MBNGMQXXXUFZRD-YPMHNXCESA-N 1 1 354.248 3.278 20 5 FGBDMO CC(C)[N@H+](CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O)C1CC1 ZINC000795408039 723588796 /nfs/dbraw/zinc/58/87/96/723588796.db2.gz GPJHCHPXJZLAMI-UHFFFAOYSA-N 1 1 368.231 3.143 20 5 FGBDMO CC(C)[N@@H+](CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O)C1CC1 ZINC000795408039 723588797 /nfs/dbraw/zinc/58/87/97/723588797.db2.gz GPJHCHPXJZLAMI-UHFFFAOYSA-N 1 1 368.231 3.143 20 5 FGBDMO CC(C)[N@H+]1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000768139165 723648032 /nfs/dbraw/zinc/64/80/32/723648032.db2.gz XDAQVZVWKGXINF-UHFFFAOYSA-N 1 1 356.264 3.273 20 5 FGBDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000785836687 724941560 /nfs/dbraw/zinc/94/15/60/724941560.db2.gz BFLKKJLCWZZSTI-DTWKUNHWSA-N 1 1 362.308 3.051 20 5 FGBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000785836687 724941561 /nfs/dbraw/zinc/94/15/61/724941561.db2.gz BFLKKJLCWZZSTI-DTWKUNHWSA-N 1 1 362.308 3.051 20 5 FGBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809923162 725276342 /nfs/dbraw/zinc/27/63/42/725276342.db2.gz XQKFWMWYPMPONP-CYBMUJFWSA-N 1 1 354.838 3.490 20 5 FGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000810068585 725286415 /nfs/dbraw/zinc/28/64/15/725286415.db2.gz SKSUZLRINDHFLW-VXGBXAGGSA-N 1 1 359.348 3.046 20 5 FGBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000826750510 729414043 /nfs/dbraw/zinc/41/40/43/729414043.db2.gz GDCQBDPJHHLCJB-AWEZNQCLSA-N 1 1 363.483 3.169 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000827287226 729428162 /nfs/dbraw/zinc/42/81/62/729428162.db2.gz JXQYSNMMVIOJNR-CJNGLKHVSA-N 1 1 363.483 3.263 20 5 FGBDMO C[N@@H+]1CC[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000827491765 729430878 /nfs/dbraw/zinc/43/08/78/729430878.db2.gz PZLVSBVSXQJKMX-ZBFHGGJFSA-N 1 1 353.850 3.037 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000827491765 729430879 /nfs/dbraw/zinc/43/08/79/729430879.db2.gz PZLVSBVSXQJKMX-ZBFHGGJFSA-N 1 1 353.850 3.037 20 5 FGBDMO COCCCC[N@@H+](C)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878719281 736910936 /nfs/dbraw/zinc/91/09/36/736910936.db2.gz WLUISBZKACQWOU-UHFFFAOYSA-N 1 1 354.794 3.157 20 5 FGBDMO Cc1noc(C[NH+]2CCC([C@H](O)c3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000851765529 731494229 /nfs/dbraw/zinc/49/42/29/731494229.db2.gz VOSDTOIWBKCUCY-QGZVFWFLSA-N 1 1 365.817 3.490 20 5 FGBDMO C[N@H+]1CC[C@@]2(C1)CCCN(Cc1cccc([N+](=O)[O-])c1Br)C2 ZINC000852107691 731544184 /nfs/dbraw/zinc/54/41/84/731544184.db2.gz OKJKFHUYICJZGQ-MRXNPFEDSA-N 1 1 368.275 3.275 20 5 FGBDMO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000855811137 731958306 /nfs/dbraw/zinc/95/83/06/731958306.db2.gz IZVBTXCJFAMIMC-CYBMUJFWSA-N 1 1 351.834 3.385 20 5 FGBDMO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1cc([N+](=O)[O-])ccc1Cl ZINC000855810618 731958500 /nfs/dbraw/zinc/95/85/00/731958500.db2.gz CUPWPCBMGKBPNA-GFCCVEGCSA-N 1 1 351.834 3.385 20 5 FGBDMO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000856476989 732031858 /nfs/dbraw/zinc/03/18/58/732031858.db2.gz KPHUMUYYGBBRFV-CYBMUJFWSA-N 1 1 351.834 3.100 20 5 FGBDMO C[C@H]([NH2+][C@@H](C)c1ccns1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000860055258 732442793 /nfs/dbraw/zinc/44/27/93/732442793.db2.gz UBJMSKARLICXBB-IUCAKERBSA-N 1 1 354.819 3.383 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000864885178 733111001 /nfs/dbraw/zinc/11/10/01/733111001.db2.gz UCIGMYRYQXTKDC-AWEZNQCLSA-N 1 1 351.422 3.047 20 5 FGBDMO C[C@@]([NH3+])(C(=O)N1CCC(c2ccsc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000867973898 733541155 /nfs/dbraw/zinc/54/11/55/733541155.db2.gz MQQWLWRUTXHVRA-SFHVURJKSA-N 1 1 359.451 3.236 20 5 FGBDMO COC1CCN(C(C)(C)C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872036653 735580069 /nfs/dbraw/zinc/58/00/69/735580069.db2.gz UODZLUNAXYXJCK-CYBMUJFWSA-N 1 1 353.438 3.274 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000874831836 735936841 /nfs/dbraw/zinc/93/68/41/735936841.db2.gz BBOIVNIHHNJZFN-JKSUJKDBSA-N 1 1 363.483 3.406 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[NH+]2CCC3(CC3(F)F)CC2)o1 ZINC000878806497 736920296 /nfs/dbraw/zinc/92/02/96/736920296.db2.gz OUPRUGOUWLJEQM-UHFFFAOYSA-N 1 1 350.325 3.266 20 5 FGBDMO CC(C)(O)[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000879964170 737091578 /nfs/dbraw/zinc/09/15/78/737091578.db2.gz CKLSPGUXOURIRP-LBPRGKRZSA-N 1 1 357.248 3.340 20 5 FGBDMO CC(C)(O)[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000879964170 737091584 /nfs/dbraw/zinc/09/15/84/737091584.db2.gz CKLSPGUXOURIRP-LBPRGKRZSA-N 1 1 357.248 3.340 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@@H+](C2CC2)[C@@H]2CCC3(C[C@@H]2F)OCCO3)cc1 ZINC000891623863 739922201 /nfs/dbraw/zinc/92/22/01/739922201.db2.gz PZYZYSPZCDOIOW-DLBZAZTESA-N 1 1 350.390 3.193 20 5 FGBDMO O=[N+]([O-])c1cccc(Br)c1NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000896525919 742561896 /nfs/dbraw/zinc/56/18/96/742561896.db2.gz RBZZGPCMOYIKIJ-LBPRGKRZSA-N 1 1 370.247 3.023 20 5 FGBDMO O=[N+]([O-])c1cccc(Br)c1NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000896525919 742561899 /nfs/dbraw/zinc/56/18/99/742561899.db2.gz RBZZGPCMOYIKIJ-LBPRGKRZSA-N 1 1 370.247 3.023 20 5 FGBDMO C[C@H]1C[C@@H](NC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC[N@H+]1C ZINC000896667994 742580736 /nfs/dbraw/zinc/58/07/36/742580736.db2.gz PCTPKVRVDCQCMI-YUMQZZPRSA-N 1 1 364.204 3.253 20 5 FGBDMO Cn1cc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c(Br)n1 ZINC000903188868 743819646 /nfs/dbraw/zinc/81/96/46/743819646.db2.gz ZQURJPQZRMSANR-CQSZACIVSA-N 1 1 365.231 3.258 20 5 FGBDMO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CC[C@]4(CC(F)(F)C4(F)F)C3)c2c1 ZINC000905676213 744043120 /nfs/dbraw/zinc/04/31/20/744043120.db2.gz AAGYAFWGMZPGLA-ZDUSSCGKSA-N 1 1 358.295 3.268 20 5 FGBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CC[C@]4(CC(F)(F)C4(F)F)C3)c2c1 ZINC000905676213 744043123 /nfs/dbraw/zinc/04/31/23/744043123.db2.gz AAGYAFWGMZPGLA-ZDUSSCGKSA-N 1 1 358.295 3.268 20 5 FGBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCC[C@@H]1CCCC[N@H+]1C ZINC000920776831 758600107 /nfs/dbraw/zinc/60/01/07/758600107.db2.gz DVOKFDNMYFKGDP-JSGCOSHPSA-N 1 1 370.833 3.433 20 5 FGBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(O)(Cc3ccccn3)CC2)ccc1Cl ZINC000930985389 760747015 /nfs/dbraw/zinc/74/70/15/760747015.db2.gz LQNMBKTWQJXKIK-UHFFFAOYSA-N 1 1 361.829 3.213 20 5 FGBDMO COC(=O)c1cnc([C@@H]2CC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)s1 ZINC000932670117 761214053 /nfs/dbraw/zinc/21/40/53/761214053.db2.gz CYADRMYUEXXBTG-CYBMUJFWSA-N 1 1 361.423 3.136 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCCSC[C@H]3C3CC3)n2)cc1 ZINC000933914149 761494733 /nfs/dbraw/zinc/49/47/33/761494733.db2.gz HWBJLPWDTWVKSS-HNNXBMFYSA-N 1 1 360.439 3.362 20 5 FGBDMO Cc1cccc(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)c1[N+](=O)[O-] ZINC000056039082 221077691 /nfs/dbraw/zinc/07/76/91/221077691.db2.gz LCSODHARBHBBFO-UHFFFAOYSA-N 1 1 369.421 3.030 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000579792235 505622580 /nfs/dbraw/zinc/62/25/80/505622580.db2.gz RGYAQAWVDANGOP-UHFFFAOYSA-N 1 1 364.446 3.332 20 5 FGBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000573844669 505633622 /nfs/dbraw/zinc/63/36/22/505633622.db2.gz BOIDBNHHWHTXOO-GUYCJALGSA-N 1 1 360.483 3.490 20 5 FGBDMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C2CC2)CC1 ZINC000579969215 505654758 /nfs/dbraw/zinc/65/47/58/505654758.db2.gz PCXNQHLPYUQIGT-UHFFFAOYSA-N 1 1 370.457 3.109 20 5 FGBDMO O=C1OCCN1c1cccc2c1CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000075916948 493795178 /nfs/dbraw/zinc/79/51/78/493795178.db2.gz HVQJWYSXPBNHBK-UHFFFAOYSA-N 1 1 353.378 3.110 20 5 FGBDMO O=C1OCCN1c1cccc2c1CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000075916948 493795184 /nfs/dbraw/zinc/79/51/84/493795184.db2.gz HVQJWYSXPBNHBK-UHFFFAOYSA-N 1 1 353.378 3.110 20 5 FGBDMO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)N1 ZINC000028795767 493802029 /nfs/dbraw/zinc/80/20/29/493802029.db2.gz ZXBRIYFQMYGXAQ-QGZVFWFLSA-N 1 1 374.360 3.301 20 5 FGBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000048322804 493816617 /nfs/dbraw/zinc/81/66/17/493816617.db2.gz RMBBDVZZMOSREN-UHFFFAOYSA-N 1 1 374.416 3.086 20 5 FGBDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1(C)C ZINC000076152235 493833339 /nfs/dbraw/zinc/83/33/39/493833339.db2.gz VQEPPQGNVLAWJO-QAPCUYQASA-N 1 1 350.415 3.097 20 5 FGBDMO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000081293484 493861657 /nfs/dbraw/zinc/86/16/57/493861657.db2.gz YDCQBLBXIJYGQF-AWEZNQCLSA-N 1 1 356.426 3.070 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2)cc1F ZINC000060046916 493913227 /nfs/dbraw/zinc/91/32/27/493913227.db2.gz PRMWOHYNKNPNJL-UHFFFAOYSA-N 1 1 354.341 3.158 20 5 FGBDMO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[N@H+](C2CC2)CC1 ZINC000050631231 493924787 /nfs/dbraw/zinc/92/47/87/493924787.db2.gz LSZLAMBQDFTGGF-UHFFFAOYSA-N 1 1 372.450 3.029 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@H+](C)CC12CCCCC2 ZINC000081597487 493925288 /nfs/dbraw/zinc/92/52/88/493925288.db2.gz PBEDVZYMFXFQDU-UHFFFAOYSA-N 1 1 374.485 3.182 20 5 FGBDMO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000076808823 493974795 /nfs/dbraw/zinc/97/47/95/493974795.db2.gz OWCJRRPKOYWLMK-MLGOLLRUSA-N 1 1 357.385 3.211 20 5 FGBDMO Cc1cccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)c1 ZINC000032509963 493994689 /nfs/dbraw/zinc/99/46/89/493994689.db2.gz JIFRQJAQLHEVNA-UHFFFAOYSA-N 1 1 356.382 3.134 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](OCCC(C)C)C1 ZINC000083246768 494014407 /nfs/dbraw/zinc/01/44/07/494014407.db2.gz LTTTYJSBIMAMLW-QGZVFWFLSA-N 1 1 363.458 3.369 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)Cc1cccc(F)c1 ZINC000007420359 494021013 /nfs/dbraw/zinc/02/10/13/494021013.db2.gz ITHSPBNSJDNAPZ-GFCCVEGCSA-N 1 1 361.373 3.202 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(F)c1 ZINC000007420359 494021016 /nfs/dbraw/zinc/02/10/16/494021016.db2.gz ITHSPBNSJDNAPZ-GFCCVEGCSA-N 1 1 361.373 3.202 20 5 FGBDMO CC[N@@H+](CCc1ccccc1)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000052968899 494080189 /nfs/dbraw/zinc/08/01/89/494080189.db2.gz YITUBDYPRKWAKA-UHFFFAOYSA-N 1 1 353.422 3.049 20 5 FGBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000064311943 494112629 /nfs/dbraw/zinc/11/26/29/494112629.db2.gz IMORKONNZVLNPN-HZPDHXFCSA-N 1 1 362.474 3.024 20 5 FGBDMO Cc1ccc(NCCCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[nH+]c1 ZINC000085383258 494118530 /nfs/dbraw/zinc/11/85/30/494118530.db2.gz QWNYBBMNGIGOHF-UHFFFAOYSA-N 1 1 362.817 3.113 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000053369616 494123150 /nfs/dbraw/zinc/12/31/50/494123150.db2.gz KDFHHKLJDQQIGU-INIZCTEOSA-N 1 1 362.474 3.168 20 5 FGBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000064724838 494144981 /nfs/dbraw/zinc/14/49/81/494144981.db2.gz JQBXOZPBAODRKS-STQMWFEESA-N 1 1 369.849 3.006 20 5 FGBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000087168850 494179012 /nfs/dbraw/zinc/17/90/12/494179012.db2.gz JYIKBTFSRGKEKX-APWZRJJASA-N 1 1 367.449 3.479 20 5 FGBDMO CC(C)NC(=O)c1ccc(N2CCC[N@H+](C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000077994939 494211442 /nfs/dbraw/zinc/21/14/42/494211442.db2.gz NCALTWWQCXWUAW-UHFFFAOYSA-N 1 1 374.485 3.188 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000054281565 494215547 /nfs/dbraw/zinc/21/55/47/494215547.db2.gz FYGKKOCEDWYMDY-HNNXBMFYSA-N 1 1 373.478 3.324 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC2(C1)CCOCC2 ZINC000072899045 494278203 /nfs/dbraw/zinc/27/82/03/494278203.db2.gz LHIQWCUYQCDYKJ-GFCCVEGCSA-N 1 1 367.833 3.078 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC2(C1)CCOCC2 ZINC000072899045 494278208 /nfs/dbraw/zinc/27/82/08/494278208.db2.gz LHIQWCUYQCDYKJ-GFCCVEGCSA-N 1 1 367.833 3.078 20 5 FGBDMO C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@H](C)C1 ZINC000043341522 494289416 /nfs/dbraw/zinc/28/94/16/494289416.db2.gz QKLOFKHTUSBZMO-RYUDHWBXSA-N 1 1 354.838 3.490 20 5 FGBDMO Cc1ccccc1OCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000015099948 494339114 /nfs/dbraw/zinc/33/91/14/494339114.db2.gz XHOCDOKWBWIOAQ-HNNXBMFYSA-N 1 1 357.410 3.241 20 5 FGBDMO Cc1ccccc1OCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000015099948 494339119 /nfs/dbraw/zinc/33/91/19/494339119.db2.gz XHOCDOKWBWIOAQ-HNNXBMFYSA-N 1 1 357.410 3.241 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000073432739 494370829 /nfs/dbraw/zinc/37/08/29/494370829.db2.gz XOHNKTWATFJLNW-MRXNPFEDSA-N 1 1 355.442 3.292 20 5 FGBDMO CCN1C[C@@H](C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)Oc2ccccc21 ZINC000016423372 494389522 /nfs/dbraw/zinc/38/95/22/494389522.db2.gz PDBFCZFRGRSBKO-QGZVFWFLSA-N 1 1 371.437 3.323 20 5 FGBDMO CCN1C[C@@H](C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)Oc2ccccc21 ZINC000016423372 494389528 /nfs/dbraw/zinc/38/95/28/494389528.db2.gz PDBFCZFRGRSBKO-QGZVFWFLSA-N 1 1 371.437 3.323 20 5 FGBDMO C[C@@H](C1CC1)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000073778928 494427540 /nfs/dbraw/zinc/42/75/40/494427540.db2.gz MKBPXDUUFZWMNN-VIFPVBQESA-N 1 1 356.220 3.026 20 5 FGBDMO Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000131395884 494604834 /nfs/dbraw/zinc/60/48/34/494604834.db2.gz HGPVMICGFQKJGL-LJQANCHMSA-N 1 1 356.422 3.010 20 5 FGBDMO Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000131395884 494604840 /nfs/dbraw/zinc/60/48/40/494604840.db2.gz HGPVMICGFQKJGL-LJQANCHMSA-N 1 1 356.422 3.010 20 5 FGBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000067753663 494634232 /nfs/dbraw/zinc/63/42/32/494634232.db2.gz RGOXAZSNTBOCJT-ZBFHGGJFSA-N 1 1 369.421 3.169 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+]3CCCC[C@@H]3CC(N)=O)o2)c([N+](=O)[O-])c1 ZINC000092588724 494680110 /nfs/dbraw/zinc/68/01/10/494680110.db2.gz KIQWIGBJFYSXCM-CYBMUJFWSA-N 1 1 373.409 3.093 20 5 FGBDMO Cc1sc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000116249890 494746452 /nfs/dbraw/zinc/74/64/52/494746452.db2.gz WCNIZNHRXRMKAF-SWLSCSKDSA-N 1 1 374.466 3.000 20 5 FGBDMO CC[C@@H](c1ccncc1)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000091992976 494747072 /nfs/dbraw/zinc/74/70/72/494747072.db2.gz MDPDPNFXXAJTKM-KRWDZBQOSA-N 1 1 372.425 3.410 20 5 FGBDMO C[C@@H]1C[C@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000131851483 494753093 /nfs/dbraw/zinc/75/30/93/494753093.db2.gz KNGABADATMCPHE-VQIMIIECSA-N 1 1 367.449 3.164 20 5 FGBDMO COc1cc(C[N@H+](C)CCOc2ccccc2F)c([N+](=O)[O-])cc1OC ZINC000121519798 494788764 /nfs/dbraw/zinc/78/87/64/494788764.db2.gz UDGKTRGCFICDLA-UHFFFAOYSA-N 1 1 364.373 3.262 20 5 FGBDMO COc1cc(C[N@@H+](C)CCOc2ccccc2F)c([N+](=O)[O-])cc1OC ZINC000121519798 494788772 /nfs/dbraw/zinc/78/87/72/494788772.db2.gz UDGKTRGCFICDLA-UHFFFAOYSA-N 1 1 364.373 3.262 20 5 FGBDMO CC[C@H](c1ccncc1)[N@@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000092225136 494814697 /nfs/dbraw/zinc/81/46/97/494814697.db2.gz CWOJATBOFOZLPO-MRXNPFEDSA-N 1 1 370.409 3.371 20 5 FGBDMO C[C@@H](c1ccccc1Cl)[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000075685424 494815983 /nfs/dbraw/zinc/81/59/83/494815983.db2.gz KDFUUJHGSDESNB-SWLSCSKDSA-N 1 1 364.833 3.031 20 5 FGBDMO C[N@H+](Cc1cccc(Cl)c1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026712430 494834487 /nfs/dbraw/zinc/83/44/87/494834487.db2.gz IIDSVOGKKNWMCL-MRXNPFEDSA-N 1 1 350.802 3.120 20 5 FGBDMO C[N@H+](Cc1ccc(Cl)s1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026811576 494839561 /nfs/dbraw/zinc/83/95/61/494839561.db2.gz JTUZPQRELBYZMS-LBPRGKRZSA-N 1 1 356.831 3.181 20 5 FGBDMO CCC[C@H]([NH2+]C[C@H](C(C)C)N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000132359108 494862602 /nfs/dbraw/zinc/86/26/02/494862602.db2.gz RBCYLBNGXYCZFX-VQTJNVASSA-N 1 1 362.518 3.298 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)ccc1Br ZINC000093505668 494895801 /nfs/dbraw/zinc/89/58/01/494895801.db2.gz DCDVGYJZVQYJLF-IUODEOHRSA-N 1 1 355.232 3.358 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)ccc1Br ZINC000093505668 494895805 /nfs/dbraw/zinc/89/58/05/494895805.db2.gz DCDVGYJZVQYJLF-IUODEOHRSA-N 1 1 355.232 3.358 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc(F)c(Cl)c3)C2)nc1 ZINC000093534336 494898811 /nfs/dbraw/zinc/89/88/11/494898811.db2.gz IEBAKQXTJKQZRV-GFCCVEGCSA-N 1 1 350.781 3.469 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccc(F)c(Cl)c3)C2)nc1 ZINC000093534336 494898815 /nfs/dbraw/zinc/89/88/15/494898815.db2.gz IEBAKQXTJKQZRV-GFCCVEGCSA-N 1 1 350.781 3.469 20 5 FGBDMO Cc1cc(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)cc([N+](=O)[O-])c1 ZINC000122123668 494927674 /nfs/dbraw/zinc/92/76/74/494927674.db2.gz QPUWSEVNFSVOKL-UHFFFAOYSA-N 1 1 369.421 3.030 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc(C)cc([N+](=O)[O-])c2)cc1F ZINC000122159405 494933396 /nfs/dbraw/zinc/93/33/96/494933396.db2.gz UQKVOEMZDVKVNZ-UHFFFAOYSA-N 1 1 368.368 3.466 20 5 FGBDMO O=C1[C@@H]([N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCCN1CC(F)(F)F ZINC000571513239 505751155 /nfs/dbraw/zinc/75/11/55/505751155.db2.gz CGHOORFRWOEKJH-HNNXBMFYSA-N 1 1 371.359 3.113 20 5 FGBDMO O=C1[C@@H]([N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCCN1CC(F)(F)F ZINC000571513239 505751158 /nfs/dbraw/zinc/75/11/58/505751158.db2.gz CGHOORFRWOEKJH-HNNXBMFYSA-N 1 1 371.359 3.113 20 5 FGBDMO CCc1nn(C)c(N2CCC[N@@H+](CCCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000094153524 494954953 /nfs/dbraw/zinc/95/49/53/494954953.db2.gz MUHPJUYPSOERIN-UHFFFAOYSA-N 1 1 371.485 3.036 20 5 FGBDMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000122385582 494967577 /nfs/dbraw/zinc/96/75/77/494967577.db2.gz WEATXNKXTBZKGH-INIZCTEOSA-N 1 1 372.469 3.286 20 5 FGBDMO Cc1c(CC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000133276302 494993770 /nfs/dbraw/zinc/99/37/70/494993770.db2.gz APGREGHLJVKIIK-UHFFFAOYSA-N 1 1 369.465 3.473 20 5 FGBDMO CN(C)c1cccc([C@H]2CCC[N@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000118867294 495049801 /nfs/dbraw/zinc/04/98/01/495049801.db2.gz PVXGLMBGQMXLFN-GOSISDBHSA-N 1 1 368.437 3.097 20 5 FGBDMO Cc1nn(C)c(N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000133835941 495068274 /nfs/dbraw/zinc/06/82/74/495068274.db2.gz YEFKUNBQVDWHBW-QZTJIDSGSA-N 1 1 369.469 3.128 20 5 FGBDMO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000123253286 495103559 /nfs/dbraw/zinc/10/35/59/495103559.db2.gz JZXAOTYMNQSDER-QGZVFWFLSA-N 1 1 369.421 3.442 20 5 FGBDMO O=C1CCCN1[C@H]1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000123253021 495103578 /nfs/dbraw/zinc/10/35/78/495103578.db2.gz JZXAOTYMNQSDER-KRWDZBQOSA-N 1 1 369.421 3.442 20 5 FGBDMO COCC[N@@H+](C)CC[C@@H](Nc1ccc([N+](=O)[O-])c(C)n1)c1ccccc1 ZINC000134199191 495120935 /nfs/dbraw/zinc/12/09/35/495120935.db2.gz RLJIKOUMCRHNSB-QGZVFWFLSA-N 1 1 358.442 3.420 20 5 FGBDMO C[C@H](NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000119538511 495186285 /nfs/dbraw/zinc/18/62/85/495186285.db2.gz VURPKVRZPJCUGY-NWDGAFQWSA-N 1 1 367.396 3.256 20 5 FGBDMO COc1ccc([C@H](CO)[N@@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000112996054 495265078 /nfs/dbraw/zinc/26/50/78/495265078.db2.gz WQPCVBCEZDBHKR-IBGZPJMESA-N 1 1 360.410 3.038 20 5 FGBDMO C[N@@H+](CCCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCCCC1 ZINC000129729306 495287164 /nfs/dbraw/zinc/28/71/64/495287164.db2.gz JHKBZXZDYPRDGN-UHFFFAOYSA-N 1 1 372.469 3.389 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3CC[N@@H+](CC4CC4)C3)cs2)c1 ZINC000113339994 495298071 /nfs/dbraw/zinc/29/80/71/495298071.db2.gz ISDXTFHAACFHJL-OAHLLOKOSA-N 1 1 358.467 3.292 20 5 FGBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000105293061 495353670 /nfs/dbraw/zinc/35/36/70/495353670.db2.gz QBMSLXDYOHBDAA-UHFFFAOYSA-N 1 1 362.474 3.389 20 5 FGBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000120401277 495369432 /nfs/dbraw/zinc/36/94/32/495369432.db2.gz KTJRHGUHHJWYTQ-CQSZACIVSA-N 1 1 358.442 3.318 20 5 FGBDMO CCO[C@@H]1C[C@H]([N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1(C)C ZINC000120488634 495390071 /nfs/dbraw/zinc/39/00/71/495390071.db2.gz GKPKLODESFYXGL-LSDHHAIUSA-N 1 1 360.414 3.280 20 5 FGBDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1(C)C ZINC000120488634 495390075 /nfs/dbraw/zinc/39/00/75/495390075.db2.gz GKPKLODESFYXGL-LSDHHAIUSA-N 1 1 360.414 3.280 20 5 FGBDMO CCc1nc([C@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cs1 ZINC000130479023 495398388 /nfs/dbraw/zinc/39/83/88/495398388.db2.gz GZBGVSBIDBHOPA-JTQLQIEISA-N 1 1 366.418 3.432 20 5 FGBDMO Cc1[nH+]ccn1CCCN(C)C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000130600633 495417565 /nfs/dbraw/zinc/41/75/65/495417565.db2.gz JJGCHZHVIBRWDB-CYBMUJFWSA-N 1 1 362.455 3.129 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000125353081 495431034 /nfs/dbraw/zinc/43/10/34/495431034.db2.gz VNHHVYPNRYUUPL-GOSISDBHSA-N 1 1 354.410 3.464 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CC[C@H](CN4CCOCC4)C3)o2)c1 ZINC000131004835 495478136 /nfs/dbraw/zinc/47/81/36/495478136.db2.gz CDNWASAZFGSDGT-MRXNPFEDSA-N 1 1 371.437 3.009 20 5 FGBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccc(NC)c([N+](=O)[O-])c2)c1 ZINC000141840270 495511284 /nfs/dbraw/zinc/51/12/84/495511284.db2.gz PWCWTBFLMGCPIY-UHFFFAOYSA-N 1 1 356.426 3.018 20 5 FGBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000577793752 505793609 /nfs/dbraw/zinc/79/36/09/505793609.db2.gz WEOYPWRZKRQRAN-HNNXBMFYSA-N 1 1 357.458 3.220 20 5 FGBDMO COCC[N@@H+](C)CCCC1CCN(c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000185653967 495664318 /nfs/dbraw/zinc/66/43/18/495664318.db2.gz YYFFXQFXXBTMAH-UHFFFAOYSA-N 1 1 365.474 3.178 20 5 FGBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000173777599 495689106 /nfs/dbraw/zinc/68/91/06/495689106.db2.gz XKEFVEOIKYLWST-VXGBXAGGSA-N 1 1 373.375 3.464 20 5 FGBDMO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000171139246 495739652 /nfs/dbraw/zinc/73/96/52/495739652.db2.gz MKUNSICFSYTZMD-QGZVFWFLSA-N 1 1 368.437 3.281 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3c[nH]c(-c4ccccc4)n3)C2)nc1 ZINC000179818819 495748002 /nfs/dbraw/zinc/74/80/02/495748002.db2.gz BQOFSDQHVODYQJ-OAHLLOKOSA-N 1 1 364.409 3.066 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3c[nH]c(-c4ccccc4)n3)C2)nc1 ZINC000179818819 495748011 /nfs/dbraw/zinc/74/80/11/495748011.db2.gz BQOFSDQHVODYQJ-OAHLLOKOSA-N 1 1 364.409 3.066 20 5 FGBDMO Cc1nc(C(C)(C)[NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)sc1C ZINC000173962366 495766243 /nfs/dbraw/zinc/76/62/43/495766243.db2.gz TYAOOTAPWYWUDY-UHFFFAOYSA-N 1 1 374.466 3.082 20 5 FGBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000183004636 495795653 /nfs/dbraw/zinc/79/56/53/495795653.db2.gz QDUBYNAWLYGRIV-LBPRGKRZSA-N 1 1 371.890 3.141 20 5 FGBDMO Cc1ccccc1C[NH+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000176988193 495872342 /nfs/dbraw/zinc/87/23/42/495872342.db2.gz AOURHYGTEWGJNY-UHFFFAOYSA-N 1 1 366.421 3.362 20 5 FGBDMO Cc1ccc(NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000151546632 495873929 /nfs/dbraw/zinc/87/39/29/495873929.db2.gz NSUZKWUBFFUMNT-SFHVURJKSA-N 1 1 369.421 3.133 20 5 FGBDMO Cc1ccc(NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000151546632 495873935 /nfs/dbraw/zinc/87/39/35/495873935.db2.gz NSUZKWUBFFUMNT-SFHVURJKSA-N 1 1 369.421 3.133 20 5 FGBDMO COC(=O)c1cc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)oc1C ZINC000174243948 495880248 /nfs/dbraw/zinc/88/02/48/495880248.db2.gz OVPKWMDEVGNGSN-UHFFFAOYSA-N 1 1 374.393 3.326 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1ccccc1)CC(C)(C)O ZINC000180225428 495914297 /nfs/dbraw/zinc/91/42/97/495914297.db2.gz UOPJBIBQDCLYHX-UHFFFAOYSA-N 1 1 371.437 3.115 20 5 FGBDMO CCC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000160342680 495940024 /nfs/dbraw/zinc/94/00/24/495940024.db2.gz GLIRDDOSQDLKNL-NSHDSACASA-N 1 1 374.363 3.467 20 5 FGBDMO CO[C@@]1(C)C[C@H]([N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1(C)C ZINC000174485047 495979025 /nfs/dbraw/zinc/97/90/25/495979025.db2.gz WUIZUTIKPIHATR-KSSFIOAISA-N 1 1 360.414 3.280 20 5 FGBDMO CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1(C)C ZINC000174485047 495979029 /nfs/dbraw/zinc/97/90/29/495979029.db2.gz WUIZUTIKPIHATR-KSSFIOAISA-N 1 1 360.414 3.280 20 5 FGBDMO COCC[N@@H+]1CCC[C@H]1CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180417437 495988677 /nfs/dbraw/zinc/98/86/77/495988677.db2.gz OCWDQURQZFJXKL-SFTDATJTSA-N 1 1 369.465 3.385 20 5 FGBDMO COCC[N@H+]1CCC[C@H]1CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180417437 495988682 /nfs/dbraw/zinc/98/86/82/495988682.db2.gz OCWDQURQZFJXKL-SFTDATJTSA-N 1 1 369.465 3.385 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c2c(c1)COCO2 ZINC000186441920 495999800 /nfs/dbraw/zinc/99/98/00/495999800.db2.gz DNKVEQPNPVNHAA-FQEVSTJZSA-N 1 1 368.389 3.093 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c2c(c1)COCO2 ZINC000186441920 495999808 /nfs/dbraw/zinc/99/98/08/495999808.db2.gz DNKVEQPNPVNHAA-FQEVSTJZSA-N 1 1 368.389 3.093 20 5 FGBDMO Cc1sc2[nH]c(C[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)nc(=O)c2c1C ZINC000180450057 496001199 /nfs/dbraw/zinc/00/11/99/496001199.db2.gz DBFQNXVCOFNQQT-JTQLQIEISA-N 1 1 358.423 3.360 20 5 FGBDMO C[C@H]1C[C@@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000183499090 496011075 /nfs/dbraw/zinc/01/10/75/496011075.db2.gz VOPLGXGOHSATHI-CMPLNLGQSA-N 1 1 369.874 3.082 20 5 FGBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cc(F)c(F)c(F)c1 ZINC000180513065 496027067 /nfs/dbraw/zinc/02/70/67/496027067.db2.gz CLJDOLSPJXWKQT-UHFFFAOYSA-N 1 1 367.327 3.473 20 5 FGBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cc([N+](=O)[O-])cnc3N)cc2)C1 ZINC000180530955 496032952 /nfs/dbraw/zinc/03/29/52/496032952.db2.gz QTKHROZOIYOKDG-CYBMUJFWSA-N 1 1 369.425 3.056 20 5 FGBDMO CC(C)c1[nH+]ccn1CCC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000580707539 505819449 /nfs/dbraw/zinc/81/94/49/505819449.db2.gz XBKUQAGWPZNMBZ-UHFFFAOYSA-N 1 1 369.425 3.145 20 5 FGBDMO C[C@H]1CN(C)c2ccccc2C[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000177401365 496048025 /nfs/dbraw/zinc/04/80/25/496048025.db2.gz BVYOYAGMQVWNRD-AWEZNQCLSA-N 1 1 369.421 3.302 20 5 FGBDMO C[C@H]1CN(C)c2ccccc2C[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000177401365 496048027 /nfs/dbraw/zinc/04/80/27/496048027.db2.gz BVYOYAGMQVWNRD-AWEZNQCLSA-N 1 1 369.421 3.302 20 5 FGBDMO C[C@@H](NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000171864766 496068057 /nfs/dbraw/zinc/06/80/57/496068057.db2.gz YZGIKHIZCPIYKQ-CABCVRRESA-N 1 1 353.422 3.219 20 5 FGBDMO C[C@@H](NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000171864766 496068063 /nfs/dbraw/zinc/06/80/63/496068063.db2.gz YZGIKHIZCPIYKQ-CABCVRRESA-N 1 1 353.422 3.219 20 5 FGBDMO COc1cc(C[NH2+][C@@H](CO)c2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000183666220 496069102 /nfs/dbraw/zinc/06/91/02/496069102.db2.gz QNXWACLXXJXGCC-ZDUSSCGKSA-N 1 1 368.336 3.028 20 5 FGBDMO C[C@H](c1ccc(Cl)cc1Cl)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174721301 496076930 /nfs/dbraw/zinc/07/69/30/496076930.db2.gz VFAFINVLTWRWDY-MFKMUULPSA-N 1 1 373.240 3.152 20 5 FGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cc1 ZINC000155817273 496078084 /nfs/dbraw/zinc/07/80/84/496078084.db2.gz GHYXJSIIZQAYAY-MRXNPFEDSA-N 1 1 351.410 3.060 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000152296261 496106847 /nfs/dbraw/zinc/10/68/47/496106847.db2.gz GPXQEIXHSGDERW-QGZVFWFLSA-N 1 1 357.410 3.453 20 5 FGBDMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175001809 496202763 /nfs/dbraw/zinc/20/27/63/496202763.db2.gz LLWQSKQYERYFKF-CQSZACIVSA-N 1 1 363.801 3.408 20 5 FGBDMO O=C1C[C@H]([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000180927964 496203013 /nfs/dbraw/zinc/20/30/13/496203013.db2.gz LVDINVKGZWLNLA-JXFKEZNVSA-N 1 1 351.406 3.037 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(c2ccnc3ccccc32)CC1 ZINC000569017192 505831564 /nfs/dbraw/zinc/83/15/64/505831564.db2.gz GVJOWPRZFLRIKC-UHFFFAOYSA-N 1 1 351.410 3.256 20 5 FGBDMO CCOC(=O)CC[C@H]1CCC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000161976961 496273809 /nfs/dbraw/zinc/27/38/09/496273809.db2.gz BPASBHFZXAOKJK-CQSZACIVSA-N 1 1 350.415 3.159 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000181131325 496282529 /nfs/dbraw/zinc/28/25/29/496282529.db2.gz RUDJMPIXMFFQED-GFCCVEGCSA-N 1 1 351.472 3.308 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c(C(F)(F)F)c1 ZINC000156751488 496326854 /nfs/dbraw/zinc/32/68/54/496326854.db2.gz POPIOQXUXWGQLV-GFCCVEGCSA-N 1 1 369.347 3.117 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](Cn3cncn3)C2)c(C(F)(F)F)c1 ZINC000156751488 496326856 /nfs/dbraw/zinc/32/68/56/496326856.db2.gz POPIOQXUXWGQLV-GFCCVEGCSA-N 1 1 369.347 3.117 20 5 FGBDMO C[C@]1(CNC(=O)c2ccccc2[N+](=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000162381593 496344954 /nfs/dbraw/zinc/34/49/54/496344954.db2.gz OTBBLMLAQZMAKT-HXUWFJFHSA-N 1 1 353.422 3.379 20 5 FGBDMO Cc1ccc(NCCCNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)[nH+]c1 ZINC000175387616 496368722 /nfs/dbraw/zinc/36/87/22/496368722.db2.gz ITBSZNVNJFUQTP-UHFFFAOYSA-N 1 1 371.441 3.335 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000162732812 496404832 /nfs/dbraw/zinc/40/48/32/496404832.db2.gz DPWFJHMRQWHOTL-UHFFFAOYSA-N 1 1 368.437 3.295 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)c1 ZINC000172760466 496418792 /nfs/dbraw/zinc/41/87/92/496418792.db2.gz XTXXQXJUAXQGLC-UHFFFAOYSA-N 1 1 367.449 3.470 20 5 FGBDMO C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181505403 496423217 /nfs/dbraw/zinc/42/32/17/496423217.db2.gz GPXHMGLZDXTDDZ-RDJZCZTQSA-N 1 1 359.470 3.297 20 5 FGBDMO Cc1cc(N2CC[NH+](CC3CCOCC3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000181505477 496423765 /nfs/dbraw/zinc/42/37/65/496423765.db2.gz WWFBEFKQPVXICJ-UHFFFAOYSA-N 1 1 370.453 3.000 20 5 FGBDMO C[C@@H](NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181648316 496485901 /nfs/dbraw/zinc/48/59/01/496485901.db2.gz BLGASLQXCMDNGE-VXGBXAGGSA-N 1 1 367.396 3.256 20 5 FGBDMO Cc1sc(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000181661885 496491983 /nfs/dbraw/zinc/49/19/83/496491983.db2.gz GDAWRYMDVWDSBD-WCQYABFASA-N 1 1 351.472 3.348 20 5 FGBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000184713798 496504307 /nfs/dbraw/zinc/50/43/07/496504307.db2.gz MCPJERSQFQLWAF-ROUUACIJSA-N 1 1 361.486 3.400 20 5 FGBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCCn1cc[nH+]c1C ZINC000184824604 496547197 /nfs/dbraw/zinc/54/71/97/496547197.db2.gz ZTXNIBXZILYPPO-KRWDZBQOSA-N 1 1 358.442 3.265 20 5 FGBDMO COc1ccc([C@@H]2CCC[N@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000153699170 496550080 /nfs/dbraw/zinc/55/00/80/496550080.db2.gz DPEPJIDRRGJPCQ-ROUUACIJSA-N 1 1 372.421 3.483 20 5 FGBDMO CC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](C)Cc1ccsc1 ZINC000187801897 496576925 /nfs/dbraw/zinc/57/69/25/496576925.db2.gz LYFMYFNWULPCOO-HOCLYGCPSA-N 1 1 364.467 3.349 20 5 FGBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCc2cccc(F)c2C1 ZINC000157904081 496581675 /nfs/dbraw/zinc/58/16/75/496581675.db2.gz JZBCHTCHGHBMKW-UHFFFAOYSA-N 1 1 371.368 3.090 20 5 FGBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCc2cccc(F)c2C1 ZINC000157904081 496581681 /nfs/dbraw/zinc/58/16/81/496581681.db2.gz JZBCHTCHGHBMKW-UHFFFAOYSA-N 1 1 371.368 3.090 20 5 FGBDMO CCc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000173262739 496616600 /nfs/dbraw/zinc/61/66/00/496616600.db2.gz FBPOKHHQPIQQNA-KRWDZBQOSA-N 1 1 357.410 3.317 20 5 FGBDMO Cc1cnn(-c2cc[nH+]cc2NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000158070803 496620508 /nfs/dbraw/zinc/62/05/08/496620508.db2.gz SLLSDJSCSRJDNM-UHFFFAOYSA-N 1 1 357.757 3.390 20 5 FGBDMO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000153966841 496639145 /nfs/dbraw/zinc/63/91/45/496639145.db2.gz AAERDIRGRRXVGQ-INIZCTEOSA-N 1 1 374.466 3.131 20 5 FGBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000153966841 496639150 /nfs/dbraw/zinc/63/91/50/496639150.db2.gz AAERDIRGRRXVGQ-INIZCTEOSA-N 1 1 374.466 3.131 20 5 FGBDMO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc(-n2ccnn2)cc1 ZINC000182030057 496642041 /nfs/dbraw/zinc/64/20/41/496642041.db2.gz DGSNQPOATOMTPB-LBPRGKRZSA-N 1 1 364.365 3.168 20 5 FGBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176055826 496663373 /nfs/dbraw/zinc/66/33/73/496663373.db2.gz BCUCXMMPJPODMM-JSGCOSHPSA-N 1 1 359.430 3.105 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c(Cl)c1 ZINC000182154776 496690431 /nfs/dbraw/zinc/69/04/31/496690431.db2.gz CHBLKTKQXUBBOK-CYBMUJFWSA-N 1 1 361.833 3.166 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c(Cl)c1 ZINC000182154776 496690435 /nfs/dbraw/zinc/69/04/35/496690435.db2.gz CHBLKTKQXUBBOK-CYBMUJFWSA-N 1 1 361.833 3.166 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000176139524 496699513 /nfs/dbraw/zinc/69/95/13/496699513.db2.gz VPZAQJWWROYMSI-HOTGVXAUSA-N 1 1 362.474 3.384 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000185302519 496726578 /nfs/dbraw/zinc/72/65/78/496726578.db2.gz DROXRQFAFOIHJP-HXUWFJFHSA-N 1 1 367.449 3.164 20 5 FGBDMO Cc1cnc([C@@H]([NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C2CC2)s1 ZINC000185323385 496728989 /nfs/dbraw/zinc/72/89/89/496728989.db2.gz GNFFQQFUBYKIAV-INIZCTEOSA-N 1 1 360.439 3.348 20 5 FGBDMO Cc1ccc(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000198941032 496971232 /nfs/dbraw/zinc/97/12/32/496971232.db2.gz KCILWRAQPHUSIN-UHFFFAOYSA-N 1 1 353.422 3.251 20 5 FGBDMO COc1cccc([C@@H]2CCC[N@H+]2C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000248373154 496986034 /nfs/dbraw/zinc/98/60/34/496986034.db2.gz GUCBFYAPJYIWPU-AEFFLSMTSA-N 1 1 372.421 3.180 20 5 FGBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000278104970 497006629 /nfs/dbraw/zinc/00/66/29/497006629.db2.gz ZTPSXZPZTZDPMM-UHFFFAOYSA-N 1 1 370.409 3.051 20 5 FGBDMO COc1ccccc1[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248476433 497023938 /nfs/dbraw/zinc/02/39/38/497023938.db2.gz YFBUXZPDGXAEKH-WBVHZDCISA-N 1 1 372.421 3.180 20 5 FGBDMO C[C@@H](C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000248538447 497033185 /nfs/dbraw/zinc/03/31/85/497033185.db2.gz AKCQRNRKXCMAMC-HZSPNIEDSA-N 1 1 351.422 3.074 20 5 FGBDMO C[C@H](c1cccnc1)[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000265165431 497061504 /nfs/dbraw/zinc/06/15/04/497061504.db2.gz XFKXODPIOQIUPZ-OAHLLOKOSA-N 1 1 363.421 3.421 20 5 FGBDMO C[C@@H](NC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000227114689 497086392 /nfs/dbraw/zinc/08/63/92/497086392.db2.gz JXWUWUQYNBVPHC-OWCLPIDISA-N 1 1 362.474 3.323 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1C ZINC000248882477 497125156 /nfs/dbraw/zinc/12/51/56/497125156.db2.gz GBONHFDWFAAOIE-DZGCQCFKSA-N 1 1 358.394 3.486 20 5 FGBDMO Cc1cc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000248997155 497148328 /nfs/dbraw/zinc/14/83/28/497148328.db2.gz GXJPLEWNLCGMRI-AEFFLSMTSA-N 1 1 354.410 3.470 20 5 FGBDMO CC(C)N1CCC([N@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000271045550 497251967 /nfs/dbraw/zinc/25/19/67/497251967.db2.gz QFYDIWKSOCMCEC-UHFFFAOYSA-N 1 1 371.485 3.300 20 5 FGBDMO CC(C)N1CCC([N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000271045550 497251975 /nfs/dbraw/zinc/25/19/75/497251975.db2.gz QFYDIWKSOCMCEC-UHFFFAOYSA-N 1 1 371.485 3.300 20 5 FGBDMO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000245457173 497416481 /nfs/dbraw/zinc/41/64/81/497416481.db2.gz UFJYUNBLEBASJJ-SJCJKPOMSA-N 1 1 364.833 3.031 20 5 FGBDMO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)C(F)F)cc1)c1ccccc1[N+](=O)[O-] ZINC000271709671 497425691 /nfs/dbraw/zinc/42/56/91/497425691.db2.gz ITZBHBSPMXLQSK-LLVKDONJSA-N 1 1 370.377 3.442 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000275801093 497435747 /nfs/dbraw/zinc/43/57/47/497435747.db2.gz LBYSGRIQZHSQFP-OCCSQVGLSA-N 1 1 351.834 3.113 20 5 FGBDMO C[N@H+]1CCC[C@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000245779811 497535785 /nfs/dbraw/zinc/53/57/85/497535785.db2.gz YRTLGZDQJOJKOX-PXAZEXFGSA-N 1 1 374.466 3.051 20 5 FGBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CCCCO)c([N+](=O)[O-])c1 ZINC000276372258 497556563 /nfs/dbraw/zinc/55/65/63/497556563.db2.gz KAJFRLKXOHTIGO-LJQANCHMSA-N 1 1 371.437 3.287 20 5 FGBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CCCCO)c([N+](=O)[O-])c1 ZINC000276372258 497556566 /nfs/dbraw/zinc/55/65/66/497556566.db2.gz KAJFRLKXOHTIGO-LJQANCHMSA-N 1 1 371.437 3.287 20 5 FGBDMO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@@H]1OCCc2ccccc21 ZINC000263656972 497806124 /nfs/dbraw/zinc/80/61/24/497806124.db2.gz CXVNOKIEFXMLEF-IBGZPJMESA-N 1 1 370.405 3.207 20 5 FGBDMO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@@H]1OCCc2ccccc21 ZINC000263656972 497806127 /nfs/dbraw/zinc/80/61/27/497806127.db2.gz CXVNOKIEFXMLEF-IBGZPJMESA-N 1 1 370.405 3.207 20 5 FGBDMO CCO[C@@H]1C[C@@H]([NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C12CCC2 ZINC000295828992 497822604 /nfs/dbraw/zinc/82/26/04/497822604.db2.gz CHXVCFUQLSPKDT-HUUCEWRRSA-N 1 1 358.398 3.082 20 5 FGBDMO C[NH+](C)CCCOc1cnccc1CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000288594627 497840511 /nfs/dbraw/zinc/84/05/11/497840511.db2.gz OYXSLMAECGMCRM-VMPITWQZSA-N 1 1 370.453 3.123 20 5 FGBDMO CSC[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000292355865 497983909 /nfs/dbraw/zinc/98/39/09/497983909.db2.gz HUKFIJOQOBHOTK-AWEZNQCLSA-N 1 1 351.472 3.307 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](CSC)C1 ZINC000292466912 498026352 /nfs/dbraw/zinc/02/63/52/498026352.db2.gz QZHAFGKRYDEVTQ-CYBMUJFWSA-N 1 1 367.471 3.007 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1nc2sccn2c1[N+](=O)[O-] ZINC000301308906 498050492 /nfs/dbraw/zinc/05/04/92/498050492.db2.gz DJJGZHIXHUSAQN-TZMCWYRMSA-N 1 1 372.454 3.022 20 5 FGBDMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000364693880 498093881 /nfs/dbraw/zinc/09/38/81/498093881.db2.gz ICIZMIHHDYSRBS-DLBZAZTESA-N 1 1 351.834 3.224 20 5 FGBDMO COCc1cc([N+](=O)[O-])ccc1NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000301452076 498115863 /nfs/dbraw/zinc/11/58/63/498115863.db2.gz UKIHPQKDUPNNCM-OKILXGFUSA-N 1 1 351.447 3.041 20 5 FGBDMO O=C1NC[C@]2(CCC[N@@H+](Cc3cc(=O)oc4ccc5ccccc5c34)C2)O1 ZINC000364781584 498140098 /nfs/dbraw/zinc/14/00/98/498140098.db2.gz VDRAJVCIVHGSFW-NRFANRHFSA-N 1 1 364.401 3.021 20 5 FGBDMO COc1ccc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000569770244 506011863 /nfs/dbraw/zinc/01/18/63/506011863.db2.gz JPYDRRCCEMMCNM-GOSISDBHSA-N 1 1 372.421 3.273 20 5 FGBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000293252014 498321226 /nfs/dbraw/zinc/32/12/26/498321226.db2.gz FKCRNWQJGZFFPD-LBPRGKRZSA-N 1 1 373.375 3.321 20 5 FGBDMO CN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286195131 498321425 /nfs/dbraw/zinc/32/14/25/498321425.db2.gz LVBOBYFSHMETJH-FUNVUKJBSA-N 1 1 369.824 3.013 20 5 FGBDMO C[C@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000569785226 506015897 /nfs/dbraw/zinc/01/58/97/506015897.db2.gz CPTFMHVFNZFJEW-KRWDZBQOSA-N 1 1 367.449 3.433 20 5 FGBDMO Cc1cccc(NC2CCN(C(=O)c3cc([N+](=O)[O-])ccc3C)CC2)[nH+]1 ZINC000361035069 498336583 /nfs/dbraw/zinc/33/65/83/498336583.db2.gz MPDQPHBUSUXGRE-UHFFFAOYSA-N 1 1 354.410 3.323 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000361797031 498433026 /nfs/dbraw/zinc/43/30/26/498433026.db2.gz GTFQRRDPCBWBHS-LBPRGKRZSA-N 1 1 365.393 3.361 20 5 FGBDMO O=C([C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1)N1CCCC1 ZINC000331744133 498439897 /nfs/dbraw/zinc/43/98/97/498439897.db2.gz XAAFLBYGNYAYCZ-AWEZNQCLSA-N 1 1 351.834 3.083 20 5 FGBDMO CC[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000302217005 498447348 /nfs/dbraw/zinc/44/73/48/498447348.db2.gz JYIREYASCQTQMZ-GJZGRUSLSA-N 1 1 365.796 3.425 20 5 FGBDMO CC[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000302217005 498447354 /nfs/dbraw/zinc/44/73/54/498447354.db2.gz JYIREYASCQTQMZ-GJZGRUSLSA-N 1 1 365.796 3.425 20 5 FGBDMO Cc1cc(C(=O)N2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000362106113 498466174 /nfs/dbraw/zinc/46/61/74/498466174.db2.gz LTSXFNXCFZZINI-INIZCTEOSA-N 1 1 357.454 3.240 20 5 FGBDMO C[C@@H](c1nc([C@@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1)c1cccc([N+](=O)[O-])c1 ZINC000575977489 506047723 /nfs/dbraw/zinc/04/77/23/506047723.db2.gz HCFDULJYGGQMLP-MRAWALMUSA-N 1 1 358.398 3.055 20 5 FGBDMO C[C@@H](c1nc([C@@H]2C[N@H+]3CCC[C@@]3(C)CO2)no1)c1cccc([N+](=O)[O-])c1 ZINC000575977489 506047728 /nfs/dbraw/zinc/04/77/28/506047728.db2.gz HCFDULJYGGQMLP-MRAWALMUSA-N 1 1 358.398 3.055 20 5 FGBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(n3cc(Br)cn3)CC2)cs1 ZINC000332000320 498528695 /nfs/dbraw/zinc/52/86/95/498528695.db2.gz ZHHHFCQZXMBKPY-UHFFFAOYSA-N 1 1 371.260 3.452 20 5 FGBDMO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC2)C1 ZINC000332120822 498569030 /nfs/dbraw/zinc/56/90/30/498569030.db2.gz LDVKPCJRBZDWOW-CQSZACIVSA-N 1 1 363.433 3.204 20 5 FGBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)C1 ZINC000294088027 498584969 /nfs/dbraw/zinc/58/49/69/498584969.db2.gz KBTJENWVIHAOBD-MRXNPFEDSA-N 1 1 371.359 3.172 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H](C)CCSC ZINC000298029723 498643288 /nfs/dbraw/zinc/64/32/88/498643288.db2.gz BNHLUSYYDAHMBQ-LBPRGKRZSA-N 1 1 355.460 3.005 20 5 FGBDMO Cc1c(CC(=O)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cccc1[N+](=O)[O-] ZINC000332382262 498669635 /nfs/dbraw/zinc/66/96/35/498669635.db2.gz GJOLXDZSAKMPMT-DAYGRLMNSA-N 1 1 359.470 3.310 20 5 FGBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000303462421 498676667 /nfs/dbraw/zinc/67/66/67/498676667.db2.gz HMVARLLMRZULNI-HNNXBMFYSA-N 1 1 374.466 3.323 20 5 FGBDMO Cc1cnc(N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000312091297 498755793 /nfs/dbraw/zinc/75/57/93/498755793.db2.gz ZMVOYSMFIIWHMA-QZTJIDSGSA-N 1 1 352.438 3.257 20 5 FGBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C[C@@H]2[C@H]1c1ccccc1 ZINC000363417692 498811024 /nfs/dbraw/zinc/81/10/24/498811024.db2.gz BCLDSRMGLCCVNE-DKSSEZFCSA-N 1 1 369.396 3.109 20 5 FGBDMO C[NH+](C)CCOc1ccccc1CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000576172574 506093825 /nfs/dbraw/zinc/09/38/25/506093825.db2.gz QDHQKIBPGPILMS-GOSISDBHSA-N 1 1 355.438 3.312 20 5 FGBDMO CC[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H](O)C(F)F ZINC000294971990 498866598 /nfs/dbraw/zinc/86/65/98/498866598.db2.gz FTYVGKNNAXXNRV-OLZOCXBDSA-N 1 1 357.382 3.213 20 5 FGBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000291266659 498868660 /nfs/dbraw/zinc/86/86/60/498868660.db2.gz DNGBTEYGMGMYLU-IINYFYTJSA-N 1 1 372.252 3.458 20 5 FGBDMO CC[NH+](CC)[C@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)c1ccco1 ZINC000288474139 499035477 /nfs/dbraw/zinc/03/54/77/499035477.db2.gz OWPRPQWJVFEPJL-OAHLLOKOSA-N 1 1 371.397 3.332 20 5 FGBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000366741531 499056571 /nfs/dbraw/zinc/05/65/71/499056571.db2.gz WZSPARBUJZGFGP-SNVBAGLBSA-N 1 1 351.204 3.085 20 5 FGBDMO CSc1cccc(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)c1[N+](=O)[O-] ZINC000372463085 499130278 /nfs/dbraw/zinc/13/02/78/499130278.db2.gz HESJDUTXAWLKJM-OAHLLOKOSA-N 1 1 357.435 3.233 20 5 FGBDMO CSc1cccc(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)c1[N+](=O)[O-] ZINC000372463085 499130281 /nfs/dbraw/zinc/13/02/81/499130281.db2.gz HESJDUTXAWLKJM-OAHLLOKOSA-N 1 1 357.435 3.233 20 5 FGBDMO C[N@@H+](C[C@@H]1CC12CCN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])CC2)C1CC1 ZINC000367301882 499176638 /nfs/dbraw/zinc/17/66/38/499176638.db2.gz CEJUTMCNKYZOAK-NADMHLTPSA-N 1 1 369.465 3.331 20 5 FGBDMO Cc1ncc(C[N@H+]2CC[C@@H](Nc3ccc(N)cc3[N+](=O)[O-])[C@H](C)C2)s1 ZINC000367349737 499186443 /nfs/dbraw/zinc/18/64/43/499186443.db2.gz UWCQATIJVUYCBR-IAQYHMDHSA-N 1 1 361.471 3.264 20 5 FGBDMO CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000370236879 499200759 /nfs/dbraw/zinc/20/07/59/499200759.db2.gz RVXSDEWVVLVMIH-HOTGVXAUSA-N 1 1 372.425 3.101 20 5 FGBDMO CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000370236879 499200760 /nfs/dbraw/zinc/20/07/60/499200760.db2.gz RVXSDEWVVLVMIH-HOTGVXAUSA-N 1 1 372.425 3.101 20 5 FGBDMO C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000371493789 499334311 /nfs/dbraw/zinc/33/43/11/499334311.db2.gz UIDQYUWSDOPKMB-RDJZCZTQSA-N 1 1 353.422 3.235 20 5 FGBDMO Cc1nc2c(s1)CCC[C@@H]2C[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000369540733 499414730 /nfs/dbraw/zinc/41/47/30/499414730.db2.gz KKEOIMKEKJRMMO-ZBFHGGJFSA-N 1 1 361.467 3.445 20 5 FGBDMO Cc1sc(C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000369569018 499419857 /nfs/dbraw/zinc/41/98/57/499419857.db2.gz MULBOJVTINKFJB-NHYWBVRUSA-N 1 1 365.480 3.449 20 5 FGBDMO C[N@H+]1CC[C@@H](CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000369570155 499420282 /nfs/dbraw/zinc/42/02/82/499420282.db2.gz QAKDMZBRXHEYOT-IVBOWMRWSA-N 1 1 371.462 3.479 20 5 FGBDMO Cc1ccc(N2CCC(NC(=O)c3ccc([N+](=O)[O-])cc3C)CC2)[nH+]c1 ZINC000369668556 499434392 /nfs/dbraw/zinc/43/43/92/499434392.db2.gz XPNZYLXBDKESAU-UHFFFAOYSA-N 1 1 354.410 3.005 20 5 FGBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](Cc3cc(-c4ccc(F)cc4)no3)C2)c1 ZINC000375405181 499514648 /nfs/dbraw/zinc/51/46/48/499514648.db2.gz RPVPBTMWDPRHTN-HNNXBMFYSA-N 1 1 371.372 3.423 20 5 FGBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3cc(-c4ccc(F)cc4)no3)C2)c1 ZINC000375405181 499514649 /nfs/dbraw/zinc/51/46/49/499514649.db2.gz RPVPBTMWDPRHTN-HNNXBMFYSA-N 1 1 371.372 3.423 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000378506772 499525425 /nfs/dbraw/zinc/52/54/25/499525425.db2.gz JFBJPRGXZLHECG-APWZRJJASA-N 1 1 360.502 3.065 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000378506772 499525427 /nfs/dbraw/zinc/52/54/27/499525427.db2.gz JFBJPRGXZLHECG-APWZRJJASA-N 1 1 360.502 3.065 20 5 FGBDMO CC(C)c1[nH+]ccn1[C@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000375798871 499556812 /nfs/dbraw/zinc/55/68/12/499556812.db2.gz XXTAPMGIJQUWBI-HNNXBMFYSA-N 1 1 371.441 3.190 20 5 FGBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398168300 499566945 /nfs/dbraw/zinc/56/69/45/499566945.db2.gz UEXBJTQKNDFWCT-WMLDXEAASA-N 1 1 357.458 3.442 20 5 FGBDMO Cn1ccnc1[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000376045378 499578441 /nfs/dbraw/zinc/57/84/41/499578441.db2.gz WEUHRNAZGPJENU-GFCCVEGCSA-N 1 1 366.368 3.309 20 5 FGBDMO Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000376045378 499578443 /nfs/dbraw/zinc/57/84/43/499578443.db2.gz WEUHRNAZGPJENU-GFCCVEGCSA-N 1 1 366.368 3.309 20 5 FGBDMO CCCN1CC[NH+](C2CCN(c3cc(Cl)ccc3[N+](=O)[O-])CC2)CC1 ZINC000376223518 499592314 /nfs/dbraw/zinc/59/23/14/499592314.db2.gz XIRMZZBYQHKOEG-UHFFFAOYSA-N 1 1 366.893 3.245 20 5 FGBDMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000411050532 499693005 /nfs/dbraw/zinc/69/30/05/499693005.db2.gz GJPPHSWBORJUHV-LLVKDONJSA-N 1 1 359.348 3.170 20 5 FGBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000411050532 499693006 /nfs/dbraw/zinc/69/30/06/499693006.db2.gz GJPPHSWBORJUHV-LLVKDONJSA-N 1 1 359.348 3.170 20 5 FGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCC(OC3CCOCC3)CC2)c1 ZINC000377784079 499732776 /nfs/dbraw/zinc/73/27/76/499732776.db2.gz QRMXRAZRILNVJU-UHFFFAOYSA-N 1 1 354.834 3.408 20 5 FGBDMO COc1cc(C(=O)N2CCC[C@H]2Cn2cc[nH+]c2C(C)C)ccc1[N+](=O)[O-] ZINC000377795718 499735182 /nfs/dbraw/zinc/73/51/82/499735182.db2.gz QSFQUTWOHPZZOC-HNNXBMFYSA-N 1 1 372.425 3.228 20 5 FGBDMO COc1cc(C[N@H+]2CCSC3(CCC3)CC2)c([N+](=O)[O-])cc1OC ZINC000414475655 499797188 /nfs/dbraw/zinc/79/71/88/499797188.db2.gz HVJAFVVMAVUYPB-UHFFFAOYSA-N 1 1 352.456 3.474 20 5 FGBDMO O=C1C[C@@]2(CC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C2)Oc2ccccc21 ZINC000411983149 499809517 /nfs/dbraw/zinc/80/95/17/499809517.db2.gz LPYHXYWQTGDDNJ-HXUWFJFHSA-N 1 1 368.389 3.084 20 5 FGBDMO O=C1C[C@@]2(CC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)Oc2ccccc21 ZINC000411983149 499809519 /nfs/dbraw/zinc/80/95/19/499809519.db2.gz LPYHXYWQTGDDNJ-HXUWFJFHSA-N 1 1 368.389 3.084 20 5 FGBDMO C[C@@H](CC[NH3+])NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000414902477 499843433 /nfs/dbraw/zinc/84/34/33/499843433.db2.gz YJIIHMVRXRYLNC-JTQLQIEISA-N 1 1 368.231 3.444 20 5 FGBDMO Cn1cc[nH+]c1CC1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413124567 499916774 /nfs/dbraw/zinc/91/67/74/499916774.db2.gz GFQADQSNBBNODB-UHFFFAOYSA-N 1 1 351.410 3.336 20 5 FGBDMO CC[N@@H+](CCC1CCN(c2ncc([N+](=O)[O-])cc2F)CC1)CC1CC1 ZINC000413215786 499928231 /nfs/dbraw/zinc/92/82/31/499928231.db2.gz BBQVCLWWAFLTQY-UHFFFAOYSA-N 1 1 350.438 3.467 20 5 FGBDMO C[C@@H](NC(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000429232941 500028687 /nfs/dbraw/zinc/02/86/87/500028687.db2.gz CDOOOYXQWVKBKC-CYBMUJFWSA-N 1 1 359.401 3.436 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCC[C@@H](n4ccnn4)C3)o2)c1 ZINC000425345390 500080004 /nfs/dbraw/zinc/08/00/04/500080004.db2.gz DUUGECFLVMUJQI-MRXNPFEDSA-N 1 1 353.382 3.283 20 5 FGBDMO CC(C)[N@H+]1CCCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425392631 500092835 /nfs/dbraw/zinc/09/28/35/500092835.db2.gz HIDWVFBRANHUNZ-UHFFFAOYSA-N 1 1 356.264 3.273 20 5 FGBDMO C[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000429578111 500107471 /nfs/dbraw/zinc/10/74/71/500107471.db2.gz LNRIYECZHGVCSP-GHMZBOCLSA-N 1 1 370.247 3.416 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000430211333 500209204 /nfs/dbraw/zinc/20/92/04/500209204.db2.gz IFMCLEXATVJXSV-CVEARBPZSA-N 1 1 352.456 3.090 20 5 FGBDMO Cc1cc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)nc(N2CCCC2)n1 ZINC000426285397 500256343 /nfs/dbraw/zinc/25/63/43/500256343.db2.gz BCKIKWYDACWALO-OAHLLOKOSA-N 1 1 355.442 3.453 20 5 FGBDMO Cc1cc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)nc(N2CCCC2)n1 ZINC000426288404 500256933 /nfs/dbraw/zinc/25/69/33/500256933.db2.gz JEDALEBSVFFGPC-LJQANCHMSA-N 1 1 367.453 3.461 20 5 FGBDMO CC[N@@H+](CCNC(=O)c1c(Cl)cccc1[N+](=O)[O-])CCC(F)(F)F ZINC000427438595 500393665 /nfs/dbraw/zinc/39/36/65/500393665.db2.gz HTBWHUXWPHZRJQ-UHFFFAOYSA-N 1 1 367.755 3.252 20 5 FGBDMO C[C@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@H]1C ZINC000431872169 500437320 /nfs/dbraw/zinc/43/73/20/500437320.db2.gz SUUCDXBOJZAPRM-HUUCEWRRSA-N 1 1 362.474 3.392 20 5 FGBDMO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000427903931 500443801 /nfs/dbraw/zinc/44/38/01/500443801.db2.gz JXNWFIQHDBZYBJ-UHFFFAOYSA-N 1 1 357.410 3.072 20 5 FGBDMO C[N@H+]1CCC[C@H](CNc2c(C(N)=O)cccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000420605199 500476811 /nfs/dbraw/zinc/47/68/11/500476811.db2.gz UMHTVASQNCJZBW-SJKOYZFVSA-N 1 1 374.466 3.250 20 5 FGBDMO COC(=O)[C@]1(c2ccccc2)CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000428810336 500560295 /nfs/dbraw/zinc/56/02/95/500560295.db2.gz XSEZMRSVJIEZBH-FOIQADDNSA-N 1 1 354.406 3.473 20 5 FGBDMO C[C@H]1C[N@@H+](CCCNc2ccc(Br)cc2[N+](=O)[O-])CCCO1 ZINC000432855922 500578733 /nfs/dbraw/zinc/57/87/33/500578733.db2.gz XSXDFZUUMZJXDG-LBPRGKRZSA-N 1 1 372.263 3.270 20 5 FGBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437227185 500617708 /nfs/dbraw/zinc/61/77/08/500617708.db2.gz QRCFVHMUEZXZTJ-CYBMUJFWSA-N 1 1 359.348 3.218 20 5 FGBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000437584676 500664523 /nfs/dbraw/zinc/66/45/23/500664523.db2.gz SUNOJINPKSKTOJ-KRWDZBQOSA-N 1 1 355.394 3.379 20 5 FGBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000447817796 500669597 /nfs/dbraw/zinc/66/95/97/500669597.db2.gz SJPKQMYMIIJQOI-ZIAGYGMSSA-N 1 1 353.806 3.074 20 5 FGBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437781874 500695100 /nfs/dbraw/zinc/69/51/00/500695100.db2.gz YQMSADZGKCFADQ-IBGZPJMESA-N 1 1 374.485 3.234 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3c[nH]nc3-c3ccsc3)C2)nc1 ZINC000438093131 500737023 /nfs/dbraw/zinc/73/70/23/500737023.db2.gz IDGCTXUHSJFODC-AWEZNQCLSA-N 1 1 370.438 3.128 20 5 FGBDMO CC(C)NC(=O)c1ccc(NC[C@@H]2CCCC[N@H+]2C2CC2)c([N+](=O)[O-])c1 ZINC000433799710 500745819 /nfs/dbraw/zinc/74/58/19/500745819.db2.gz SFVMNTXQBNCWAT-INIZCTEOSA-N 1 1 360.458 3.162 20 5 FGBDMO Cc1cccc(NCCNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[nH+]1 ZINC000444103149 500803344 /nfs/dbraw/zinc/80/33/44/500803344.db2.gz UHBLDYJPVBUOLX-UHFFFAOYSA-N 1 1 372.428 3.227 20 5 FGBDMO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000444682369 500877880 /nfs/dbraw/zinc/87/78/80/500877880.db2.gz ZWBJYBNUTGAQBN-LLVKDONJSA-N 1 1 353.382 3.280 20 5 FGBDMO C[C@@H](CCO)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccccc1 ZINC000444688445 500879448 /nfs/dbraw/zinc/87/94/48/500879448.db2.gz YULTUCPUAUUTIA-AWEZNQCLSA-N 1 1 354.410 3.244 20 5 FGBDMO C[C@@H](CCO)[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccccc1 ZINC000444688445 500879451 /nfs/dbraw/zinc/87/94/51/500879451.db2.gz YULTUCPUAUUTIA-AWEZNQCLSA-N 1 1 354.410 3.244 20 5 FGBDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444712629 500885351 /nfs/dbraw/zinc/88/53/51/500885351.db2.gz WOVHFSQHZLSLLY-MRXNPFEDSA-N 1 1 354.410 3.161 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]CCCC1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000449353531 500984988 /nfs/dbraw/zinc/98/49/88/500984988.db2.gz CPZZZPMCUYRXQB-GOSISDBHSA-N 1 1 358.442 3.214 20 5 FGBDMO COc1ccc(C[N@H+](C)[C@H](CO)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000449452047 501005947 /nfs/dbraw/zinc/00/59/47/501005947.db2.gz JRESMMWKYWNYMF-MRXNPFEDSA-N 1 1 350.802 3.422 20 5 FGBDMO COc1ccc(C[N@@H+](C)[C@H](CO)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000449452047 501005950 /nfs/dbraw/zinc/00/59/50/501005950.db2.gz JRESMMWKYWNYMF-MRXNPFEDSA-N 1 1 350.802 3.422 20 5 FGBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435831977 501035166 /nfs/dbraw/zinc/03/51/66/501035166.db2.gz XLTDGTDPMBXJIX-CYBMUJFWSA-N 1 1 367.424 3.035 20 5 FGBDMO Cc1nc(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)ncc1[N+](=O)[O-] ZINC000450402181 501112980 /nfs/dbraw/zinc/11/29/80/501112980.db2.gz IPAAZHOMFRHXCE-DZGCQCFKSA-N 1 1 365.796 3.343 20 5 FGBDMO Cc1nc(N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)ncc1[N+](=O)[O-] ZINC000450402181 501112984 /nfs/dbraw/zinc/11/29/84/501112984.db2.gz IPAAZHOMFRHXCE-DZGCQCFKSA-N 1 1 365.796 3.343 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000441283456 501113583 /nfs/dbraw/zinc/11/35/83/501113583.db2.gz YRWCPWAEQTVDIY-KBMXLJTQSA-N 1 1 372.425 3.454 20 5 FGBDMO CC(C)(C)Oc1cc(NC[C@H]2CCC[N@H+]2CCCO)ccc1[N+](=O)[O-] ZINC000450589208 501161608 /nfs/dbraw/zinc/16/16/08/501161608.db2.gz CHZOCRICNZSUJA-OAHLLOKOSA-N 1 1 351.447 3.031 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(CN[C@@H]3CCC[N@H+](Cc4ccccc4)C3)nc2c1 ZINC000446830800 501169922 /nfs/dbraw/zinc/16/99/22/501169922.db2.gz WYXXVCNSSONQEG-MRXNPFEDSA-N 1 1 365.437 3.225 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(CN[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)nc2c1 ZINC000446830800 501169924 /nfs/dbraw/zinc/16/99/24/501169924.db2.gz WYXXVCNSSONQEG-MRXNPFEDSA-N 1 1 365.437 3.225 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cnc(-c4ccncc4)s3)nc2c1 ZINC000446840510 501172038 /nfs/dbraw/zinc/17/20/38/501172038.db2.gz ZTZDZXBCWZGVGF-UHFFFAOYSA-N 1 1 366.406 3.279 20 5 FGBDMO CC(=O)Nc1ccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cn1 ZINC000602640989 506242499 /nfs/dbraw/zinc/24/24/99/506242499.db2.gz TTYNGASNHSGNGH-UHFFFAOYSA-N 1 1 368.315 3.257 20 5 FGBDMO CCn1cccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1=O ZINC000602640996 506242617 /nfs/dbraw/zinc/24/26/17/506242617.db2.gz UBNPYMJAPPRNIO-UHFFFAOYSA-N 1 1 355.316 3.085 20 5 FGBDMO C[C@@H]1Cc2[nH+]cn(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)c2C[C@@H]1C ZINC000451004298 501238463 /nfs/dbraw/zinc/23/84/63/501238463.db2.gz WNBFDMVYLDHLGI-NEPJUHHUSA-N 1 1 353.382 3.260 20 5 FGBDMO C[C@@H]1Cc2[nH+]cn(CCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)c2C[C@@H]1C ZINC000451004312 501238475 /nfs/dbraw/zinc/23/84/75/501238475.db2.gz WQFWSVZIRIJWCC-OLZOCXBDSA-N 1 1 370.409 3.160 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCc1ccccc1C ZINC000451166176 501249367 /nfs/dbraw/zinc/24/93/67/501249367.db2.gz FTRJRLMSDOWEAC-UHFFFAOYSA-N 1 1 357.410 3.025 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCc1ccccc1C ZINC000451166176 501249368 /nfs/dbraw/zinc/24/93/68/501249368.db2.gz FTRJRLMSDOWEAC-UHFFFAOYSA-N 1 1 357.410 3.025 20 5 FGBDMO Cn1c(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)nnc1C1CCC1 ZINC000451543472 501318529 /nfs/dbraw/zinc/31/85/29/501318529.db2.gz BXFUMAWFWYTRLC-INIZCTEOSA-N 1 1 355.442 3.370 20 5 FGBDMO Cn1c(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)nnc1C1CCC1 ZINC000451543472 501318532 /nfs/dbraw/zinc/31/85/32/501318532.db2.gz BXFUMAWFWYTRLC-INIZCTEOSA-N 1 1 355.442 3.370 20 5 FGBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+](C)C(C)(C)CO)cc1OC ZINC000611662233 506246969 /nfs/dbraw/zinc/24/69/69/506246969.db2.gz DKUBASQDDGBBLN-CYBMUJFWSA-N 1 1 354.447 3.231 20 5 FGBDMO COC[C@H]1CCCC[N@@H+]1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000452034772 501421805 /nfs/dbraw/zinc/42/18/05/501421805.db2.gz FMDZQBSKGWTJMB-CYBMUJFWSA-N 1 1 374.384 3.248 20 5 FGBDMO COC[C@H]1CCCC[N@H+]1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000452034772 501421809 /nfs/dbraw/zinc/42/18/09/501421809.db2.gz FMDZQBSKGWTJMB-CYBMUJFWSA-N 1 1 374.384 3.248 20 5 FGBDMO C[C@@H](NC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000598971854 506253449 /nfs/dbraw/zinc/25/34/49/506253449.db2.gz GZTJFQFRPPXQIZ-RDTXWAMCSA-N 1 1 360.458 3.362 20 5 FGBDMO Cc1c(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000456309387 501494249 /nfs/dbraw/zinc/49/42/49/501494249.db2.gz PSBDWTQVYUSKGP-MRXNPFEDSA-N 1 1 367.449 3.497 20 5 FGBDMO C[N@H+]1CCC[C@H](CCNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000459296178 501626573 /nfs/dbraw/zinc/62/65/73/501626573.db2.gz JDZWMHJAIVJIBY-OAHLLOKOSA-N 1 1 360.458 3.001 20 5 FGBDMO C[C@H]1CN(c2ccccc2C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC000459341011 501635174 /nfs/dbraw/zinc/63/51/74/501635174.db2.gz GAIHRTREDJENLC-INIZCTEOSA-N 1 1 367.449 3.378 20 5 FGBDMO C[C@H]1CN(c2ccccc2C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC000459341011 501635176 /nfs/dbraw/zinc/63/51/76/501635176.db2.gz GAIHRTREDJENLC-INIZCTEOSA-N 1 1 367.449 3.378 20 5 FGBDMO COc1cc(CC2C[NH+](Cc3ccc([N+](=O)[O-])cc3F)C2)cc(OC)c1 ZINC000459612639 501686594 /nfs/dbraw/zinc/68/65/94/501686594.db2.gz VWFSBTWVFJBORL-UHFFFAOYSA-N 1 1 360.385 3.426 20 5 FGBDMO COCC[C@H]1CCCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000467272328 501754000 /nfs/dbraw/zinc/75/40/00/501754000.db2.gz BBXKRQWTENHPPF-CYBMUJFWSA-N 1 1 369.849 3.325 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+](Cc1ccc2c(c1)OCO2)C1(C)CCCC1 ZINC000474262778 501765140 /nfs/dbraw/zinc/76/51/40/501765140.db2.gz BFJUEBRMWZTREZ-UHFFFAOYSA-N 1 1 372.425 3.392 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](Cc1ccc2c(c1)OCO2)C1(C)CCCC1 ZINC000474262778 501765143 /nfs/dbraw/zinc/76/51/43/501765143.db2.gz BFJUEBRMWZTREZ-UHFFFAOYSA-N 1 1 372.425 3.392 20 5 FGBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](C[C@H](O)Cc1ccc3ccccc3c1)CC2 ZINC000470778816 501799526 /nfs/dbraw/zinc/79/95/26/501799526.db2.gz HYNCCTHURZBVNW-HXUWFJFHSA-N 1 1 363.417 3.105 20 5 FGBDMO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](C[C@H](O)Cc1ccc3ccccc3c1)CC2 ZINC000470778816 501799530 /nfs/dbraw/zinc/79/95/30/501799530.db2.gz HYNCCTHURZBVNW-HXUWFJFHSA-N 1 1 363.417 3.105 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)nc1-c1ccc(F)cc1 ZINC000485391633 501807081 /nfs/dbraw/zinc/80/70/81/501807081.db2.gz RKPWXZXIYYQVOY-CVEARBPZSA-N 1 1 356.401 3.257 20 5 FGBDMO CC[C@@H]1C[N@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CCCO1 ZINC000467553458 501825187 /nfs/dbraw/zinc/82/51/87/501825187.db2.gz JKCHNULEYOHVFR-CYBMUJFWSA-N 1 1 374.384 3.248 20 5 FGBDMO CC[C@@H]1C[N@@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CCCO1 ZINC000467553458 501825190 /nfs/dbraw/zinc/82/51/90/501825190.db2.gz JKCHNULEYOHVFR-CYBMUJFWSA-N 1 1 374.384 3.248 20 5 FGBDMO Cc1cc(NC[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)ncc1[N+](=O)[O-] ZINC000470858782 501831447 /nfs/dbraw/zinc/83/14/47/501831447.db2.gz KUCLHJUFZNWPFQ-SFHVURJKSA-N 1 1 354.454 3.215 20 5 FGBDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000481663300 501843406 /nfs/dbraw/zinc/84/34/06/501843406.db2.gz WLOHQFYMFWRXRH-OAHLLOKOSA-N 1 1 370.453 3.095 20 5 FGBDMO COc1cc(C[N@@H+]2CCC[C@@](C)(OC)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000470907026 501849507 /nfs/dbraw/zinc/84/95/07/501849507.db2.gz QYYJGQQOZNUXIA-MRXNPFEDSA-N 1 1 360.357 3.206 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@@](C)(OC)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000470907026 501849512 /nfs/dbraw/zinc/84/95/12/501849512.db2.gz QYYJGQQOZNUXIA-MRXNPFEDSA-N 1 1 360.357 3.206 20 5 FGBDMO O=[N+]([O-])c1ccccc1OCCN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471000883 501887557 /nfs/dbraw/zinc/88/75/57/501887557.db2.gz KGFFJMNYEIBLRY-KDURUIRLSA-N 1 1 367.449 3.037 20 5 FGBDMO Cc1ccc([C@@H]2CC[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)c(C)c1 ZINC000471019008 501893111 /nfs/dbraw/zinc/89/31/11/501893111.db2.gz NTOIPBBWQCRUIZ-QZTJIDSGSA-N 1 1 370.449 3.441 20 5 FGBDMO O=[N+]([O-])c1cccc(F)c1CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471025755 501894495 /nfs/dbraw/zinc/89/44/95/501894495.db2.gz PCXCFVQAVLBTLB-CALCHBBNSA-N 1 1 355.413 3.298 20 5 FGBDMO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000464341241 501960009 /nfs/dbraw/zinc/96/00/09/501960009.db2.gz WXUQPRHGGBACQC-HNNXBMFYSA-N 1 1 351.834 3.243 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000485888427 501977683 /nfs/dbraw/zinc/97/76/83/501977683.db2.gz KJLNOCCVGDHVSZ-AQNXPRMDSA-N 1 1 367.449 3.415 20 5 FGBDMO C[C@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[N@H+]1CCCC[C@@H]1C ZINC000478700361 502062428 /nfs/dbraw/zinc/06/24/28/502062428.db2.gz IWMXBRFQSRHUOA-JKSUJKDBSA-N 1 1 374.485 3.188 20 5 FGBDMO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000475203592 502097979 /nfs/dbraw/zinc/09/79/79/502097979.db2.gz HGBBTLNKWFJYOX-JSGCOSHPSA-N 1 1 372.347 3.362 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@@H]4COCC[C@H]43)o2)c1 ZINC000464854045 502123105 /nfs/dbraw/zinc/12/31/05/502123105.db2.gz PPGOTLRCQWZCOE-NVXWUHKLSA-N 1 1 357.410 3.293 20 5 FGBDMO C[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](c2ccco2)C1 ZINC000464856947 502124298 /nfs/dbraw/zinc/12/42/98/502124298.db2.gz NDBYFBSSDPPXPS-UWWQBHOKSA-N 1 1 360.410 3.401 20 5 FGBDMO CCOc1cc(C[N@H+](C)C[C@@H]2COc3ccccc3O2)ccc1[N+](=O)[O-] ZINC000482626805 502130497 /nfs/dbraw/zinc/13/04/97/502130497.db2.gz CGFRAIVMFXLWEB-OAHLLOKOSA-N 1 1 358.394 3.265 20 5 FGBDMO CCOc1cc(C[N@@H+](C)C[C@@H]2COc3ccccc3O2)ccc1[N+](=O)[O-] ZINC000482626805 502130501 /nfs/dbraw/zinc/13/05/01/502130501.db2.gz CGFRAIVMFXLWEB-OAHLLOKOSA-N 1 1 358.394 3.265 20 5 FGBDMO COC(=O)c1c(Cl)c(N2CCC3(CCC[N@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000596181953 506295923 /nfs/dbraw/zinc/29/59/23/506295923.db2.gz IGRJVEHPOOOJNG-UHFFFAOYSA-N 1 1 367.833 3.099 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@@H]2C2CCCC2)cc1[N+](=O)[O-] ZINC000475570655 502215077 /nfs/dbraw/zinc/21/50/77/502215077.db2.gz TYOIXCKMGTWYET-MRXNPFEDSA-N 1 1 362.426 3.301 20 5 FGBDMO Cc1cc(N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000461946770 502247990 /nfs/dbraw/zinc/24/79/90/502247990.db2.gz HVOQPCOLUXSPNR-RBSFLKMASA-N 1 1 351.422 3.120 20 5 FGBDMO CCC[C@@H](C)[C@H]1CCC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000486785778 502259939 /nfs/dbraw/zinc/25/99/39/502259939.db2.gz FABHVAZZMPZZRY-TZMCWYRMSA-N 1 1 363.414 3.163 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@H](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000475725708 502266338 /nfs/dbraw/zinc/26/63/38/502266338.db2.gz OQMBXEOYLYFFKB-OAHLLOKOSA-N 1 1 350.415 3.015 20 5 FGBDMO Cc1c(CNC(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)cccc1[N+](=O)[O-] ZINC000479739246 502362116 /nfs/dbraw/zinc/36/21/16/502362116.db2.gz CMYPIXSFJFKZRI-KRWDZBQOSA-N 1 1 362.474 3.213 20 5 FGBDMO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)s2)cc1[N+](=O)[O-] ZINC000469329000 502376890 /nfs/dbraw/zinc/37/68/90/502376890.db2.gz SXGLBGOMPDTDOP-LLVKDONJSA-N 1 1 354.453 3.219 20 5 FGBDMO COc1cc(NCCC[N@H+]2CCCO[C@H](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596210071 506310420 /nfs/dbraw/zinc/31/04/20/506310420.db2.gz XBHHBTYRPHBIJA-GFCCVEGCSA-N 1 1 357.838 3.170 20 5 FGBDMO COC1CCN(C2(C[NH2+]Cc3ccc([N+](=O)[O-])cc3F)CCCC2)CC1 ZINC000479928827 502421983 /nfs/dbraw/zinc/42/19/83/502421983.db2.gz SRMBBRDIEAYFMX-UHFFFAOYSA-N 1 1 365.449 3.247 20 5 FGBDMO CC(C)[N@H+]1CCCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1 ZINC000462487845 502460447 /nfs/dbraw/zinc/46/04/47/502460447.db2.gz KOODROQRENXPLC-UHFFFAOYSA-N 1 1 370.453 3.489 20 5 FGBDMO C[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@@H](C)C1 ZINC000466243608 502514408 /nfs/dbraw/zinc/51/44/08/502514408.db2.gz VIXGTCCJOHWKEJ-CHWSQXEVSA-N 1 1 368.865 3.168 20 5 FGBDMO C[C@H]1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC(=O)N1Cc1ccccc1 ZINC000466477403 502582390 /nfs/dbraw/zinc/58/23/90/502582390.db2.gz LGZLCJHCMBECSH-SCLBCKFNSA-N 1 1 357.385 3.013 20 5 FGBDMO COC(=O)c1coc([C@@H](C)[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000602841649 506322696 /nfs/dbraw/zinc/32/26/96/506322696.db2.gz OWSNGTYDGCMKTD-TZMCWYRMSA-N 1 1 359.382 3.310 20 5 FGBDMO COC(=O)c1coc([C@@H](C)[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000602841649 506322702 /nfs/dbraw/zinc/32/27/02/506322702.db2.gz OWSNGTYDGCMKTD-TZMCWYRMSA-N 1 1 359.382 3.310 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1CNc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000462875073 502609161 /nfs/dbraw/zinc/60/91/61/502609161.db2.gz GGRDLLGVAXMDRF-LJQANCHMSA-N 1 1 371.437 3.172 20 5 FGBDMO Cc1cc(N[C@@H]2CCn3cc[nH+]c3C2)c(Br)cc1[N+](=O)[O-] ZINC000473512358 502618455 /nfs/dbraw/zinc/61/84/55/502618455.db2.gz HKBSQJIFUZIFGY-SNVBAGLBSA-N 1 1 351.204 3.289 20 5 FGBDMO CC(C)(C)C1=CC[N@@H+](CCNC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000476915006 502619032 /nfs/dbraw/zinc/61/90/32/502619032.db2.gz RWXYCBQWTUCXDF-UHFFFAOYSA-N 1 1 359.470 3.322 20 5 FGBDMO COc1ccc(C[N@H+]2CCC[C@](CO)(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000463032372 502667998 /nfs/dbraw/zinc/66/79/98/502667998.db2.gz IIFFDVSDHSYSIW-NRFANRHFSA-N 1 1 370.449 3.421 20 5 FGBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000470139958 502674824 /nfs/dbraw/zinc/67/48/24/502674824.db2.gz BZAGAEREAAKVAJ-XCRHUMRWSA-N 1 1 371.462 3.409 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(Cc2cc(C)on2)CC1 ZINC000470170834 502691649 /nfs/dbraw/zinc/69/16/49/502691649.db2.gz AVQITEKBGIECAX-XNTDXEJSSA-N 1 1 356.426 3.112 20 5 FGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000470174902 502694814 /nfs/dbraw/zinc/69/48/14/502694814.db2.gz NSDMVWFLMFTXOO-ILCZHQDMSA-N 1 1 369.421 3.372 20 5 FGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000470174902 502694820 /nfs/dbraw/zinc/69/48/20/502694820.db2.gz NSDMVWFLMFTXOO-ILCZHQDMSA-N 1 1 369.421 3.372 20 5 FGBDMO CC(C)(C(=O)NC[C@H]1CCCC[N@H+]1C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000470179406 502697197 /nfs/dbraw/zinc/69/71/97/502697197.db2.gz XENVIERMLPYEAO-OAHLLOKOSA-N 1 1 363.433 3.145 20 5 FGBDMO Cc1cc(NC(=O)NCC[N@H+](C)Cc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000473784692 502706332 /nfs/dbraw/zinc/70/63/32/502706332.db2.gz OEDIJAFMJPULDL-UHFFFAOYSA-N 1 1 360.389 3.296 20 5 FGBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccc(OC)cc1 ZINC000488516468 502739529 /nfs/dbraw/zinc/73/95/29/502739529.db2.gz RYZPXBCIEMAPEB-UHFFFAOYSA-N 1 1 357.410 3.454 20 5 FGBDMO C[C@]1(Cc2ccccc2)CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000467019300 502760056 /nfs/dbraw/zinc/76/00/56/502760056.db2.gz WNPCDWUCTNDMNZ-GHTZIAJQSA-N 1 1 370.449 3.432 20 5 FGBDMO COCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[C@@H](C)C1 ZINC000484875589 502762843 /nfs/dbraw/zinc/76/28/43/502762843.db2.gz BJCIOBPAXXWPKI-TZMCWYRMSA-N 1 1 369.849 3.324 20 5 FGBDMO CCCN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000505028680 502841740 /nfs/dbraw/zinc/84/17/40/502841740.db2.gz IBLQPXVDSUEGBM-KRWDZBQOSA-N 1 1 370.453 3.440 20 5 FGBDMO CCc1ccc([C@@H]2CN(C(=O)c3cc(C)cc([N+](=O)[O-])c3)CC[NH2+]2)cc1 ZINC000505506469 502921031 /nfs/dbraw/zinc/92/10/31/502921031.db2.gz MXDQDNCGRXSMPB-IBGZPJMESA-N 1 1 353.422 3.252 20 5 FGBDMO CCc1ccc([C@@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)cc1 ZINC000513391926 502924316 /nfs/dbraw/zinc/92/43/16/502924316.db2.gz HVBICBDBOTVLOC-GOSISDBHSA-N 1 1 355.438 3.199 20 5 FGBDMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000497393848 502947050 /nfs/dbraw/zinc/94/70/50/502947050.db2.gz TXIAROHYWNEABW-HUUCEWRRSA-N 1 1 363.458 3.120 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@@H](C)C[C@H]2c2cccnc2)c1 ZINC000593023960 506343103 /nfs/dbraw/zinc/34/31/03/506343103.db2.gz IBSFBSQBEBDAFZ-UGSOOPFHSA-N 1 1 355.394 3.360 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H](C)C[C@H]2c2cccnc2)c1 ZINC000593023960 506343111 /nfs/dbraw/zinc/34/31/11/506343111.db2.gz IBSFBSQBEBDAFZ-UGSOOPFHSA-N 1 1 355.394 3.360 20 5 FGBDMO COc1ccc(C[N@H+]2CC[C@H]2CNc2c3c(ccc2[N+](=O)[O-])NCC3)cc1 ZINC000599141128 506343188 /nfs/dbraw/zinc/34/31/88/506343188.db2.gz YCLXPHWSBCRNRJ-HNNXBMFYSA-N 1 1 368.437 3.258 20 5 FGBDMO CSc1ccc(C(=O)N[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000497400936 502949849 /nfs/dbraw/zinc/94/98/49/502949849.db2.gz KFIVDYAFIYIJOX-JKSUJKDBSA-N 1 1 371.462 3.144 20 5 FGBDMO CC[N@H+](C[C@H](C)O)[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000510146089 503059397 /nfs/dbraw/zinc/05/93/97/503059397.db2.gz VHSKMYLJVKLVIG-KXBFYZLASA-N 1 1 371.437 3.286 20 5 FGBDMO CC[N@@H+](C[C@H](C)O)[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000510146089 503059399 /nfs/dbraw/zinc/05/93/99/503059399.db2.gz VHSKMYLJVKLVIG-KXBFYZLASA-N 1 1 371.437 3.286 20 5 FGBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[N@H+]1CCCC[C@H]1C ZINC000497924256 503067652 /nfs/dbraw/zinc/06/76/52/503067652.db2.gz HNMFIAQDQCCMCO-KGLIPLIRSA-N 1 1 356.426 3.136 20 5 FGBDMO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000510243188 503078049 /nfs/dbraw/zinc/07/80/49/503078049.db2.gz OBLVFTQAGHEJIK-QAPCUYQASA-N 1 1 371.437 3.238 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000506260168 503080460 /nfs/dbraw/zinc/08/04/60/503080460.db2.gz PHPXURVRJWUMBS-ILXRZTDVSA-N 1 1 365.499 3.312 20 5 FGBDMO CCC[N@@H+](CC)CCNC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000510466435 503120244 /nfs/dbraw/zinc/12/02/44/503120244.db2.gz WYXHUCKPQSBQAF-UHFFFAOYSA-N 1 1 372.263 3.127 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000506635723 503147138 /nfs/dbraw/zinc/14/71/38/503147138.db2.gz MCQZVTRMDRZFHE-QWHCGFSZSA-N 1 1 351.472 3.309 20 5 FGBDMO C[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])s2)CCC[N@H+]1Cc1ccccc1 ZINC000490523045 503188977 /nfs/dbraw/zinc/18/89/77/503188977.db2.gz DGYXLUDLOBGCJH-SFHVURJKSA-N 1 1 359.451 3.441 20 5 FGBDMO COc1ccc(NC(=O)CC[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000511107518 503256934 /nfs/dbraw/zinc/25/69/34/503256934.db2.gz NVZVGKXFIRUQBK-UHFFFAOYSA-N 1 1 357.410 3.107 20 5 FGBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000498778136 503262483 /nfs/dbraw/zinc/26/24/83/503262483.db2.gz SUFMRTOQLDKFJH-SNVBAGLBSA-N 1 1 360.336 3.172 20 5 FGBDMO COc1cccc(NC(=O)CC[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000511126042 503262862 /nfs/dbraw/zinc/26/28/62/503262862.db2.gz PEOULOFRCJUWOB-UHFFFAOYSA-N 1 1 357.410 3.107 20 5 FGBDMO COc1ccc(-c2noc(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])n2)cc1 ZINC000511136430 503265684 /nfs/dbraw/zinc/26/56/84/503265684.db2.gz AECOFKJIOBOKBB-UHFFFAOYSA-N 1 1 368.393 3.328 20 5 FGBDMO COc1ccc(-c2noc(C[N@@H+](C)CCc3ccccc3[N+](=O)[O-])n2)cc1 ZINC000511136430 503265688 /nfs/dbraw/zinc/26/56/88/503265688.db2.gz AECOFKJIOBOKBB-UHFFFAOYSA-N 1 1 368.393 3.328 20 5 FGBDMO C[N@@H+](CCC(=O)Nc1cc(F)cc(F)c1)CCc1ccccc1[N+](=O)[O-] ZINC000511136691 503265986 /nfs/dbraw/zinc/26/59/86/503265986.db2.gz JXGWCQARDBXZPT-UHFFFAOYSA-N 1 1 363.364 3.376 20 5 FGBDMO COc1cc2c(cc1OC)CC[NH+](Cc1ccc([N+](=O)[O-])cc1F)CC2 ZINC000491113499 503275195 /nfs/dbraw/zinc/27/51/95/503275195.db2.gz LYSSVWZRZBGYHD-UHFFFAOYSA-N 1 1 360.385 3.352 20 5 FGBDMO CC[N@H+]1C[C@H](C)N(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C[C@H]1C ZINC000498916120 503292404 /nfs/dbraw/zinc/29/24/04/503292404.db2.gz PTOUBTZELVDIRR-NEPJUHHUSA-N 1 1 373.400 3.119 20 5 FGBDMO Cc1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cn2cc[nH+]c12 ZINC000502947411 503313169 /nfs/dbraw/zinc/31/31/69/503313169.db2.gz FGLWHXTUSFDEOA-UHFFFAOYSA-N 1 1 365.393 3.403 20 5 FGBDMO Cc1ccc(C)n1C1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000499018521 503315541 /nfs/dbraw/zinc/31/55/41/503315541.db2.gz FQCYTHMBGCQDOQ-UHFFFAOYSA-N 1 1 356.426 3.289 20 5 FGBDMO CCOc1cc(C[N@@H+]2CCCC[C@@H]2[C@H](O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000492582189 503375786 /nfs/dbraw/zinc/37/57/86/503375786.db2.gz KGMFMRJIWSTSAF-HIFRSBDPSA-N 1 1 362.348 3.271 20 5 FGBDMO CCOc1cc(C[N@H+]2CCCC[C@@H]2[C@H](O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000492582189 503375791 /nfs/dbraw/zinc/37/57/91/503375791.db2.gz KGMFMRJIWSTSAF-HIFRSBDPSA-N 1 1 362.348 3.271 20 5 FGBDMO C[C@@H]([NH2+][C@@H]1CCC[C@H]1OC(F)F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000503399882 503400776 /nfs/dbraw/zinc/40/07/76/503400776.db2.gz BVGMSBFTPIGWCG-OASPWFOLSA-N 1 1 368.340 3.456 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000511895783 503409829 /nfs/dbraw/zinc/40/98/29/503409829.db2.gz LZGRUMJXSRDHLC-GUDVDZBRSA-N 1 1 353.422 3.025 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000494058347 503480954 /nfs/dbraw/zinc/48/09/54/503480954.db2.gz FQOGUBBMGWJRFP-QAPCUYQASA-N 1 1 353.422 3.296 20 5 FGBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1C ZINC000500120251 503558934 /nfs/dbraw/zinc/55/89/34/503558934.db2.gz IHOKSVLDIHNMCZ-MNOVXSKESA-N 1 1 359.348 3.168 20 5 FGBDMO COc1ccc([C@H]2CC[N@H+](CC(=O)Nc3c(C)cccc3[N+](=O)[O-])C2)cc1 ZINC000504504978 503581779 /nfs/dbraw/zinc/58/17/79/503581779.db2.gz WXTYOZFQUHENJX-INIZCTEOSA-N 1 1 369.421 3.340 20 5 FGBDMO COc1ccc([C@H]2CC[N@@H+](CC(=O)Nc3c(C)cccc3[N+](=O)[O-])C2)cc1 ZINC000504504978 503581781 /nfs/dbraw/zinc/58/17/81/503581781.db2.gz WXTYOZFQUHENJX-INIZCTEOSA-N 1 1 369.421 3.340 20 5 FGBDMO CCn1cc(C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C(C)C)cn1 ZINC000593081258 506382446 /nfs/dbraw/zinc/38/24/46/506382446.db2.gz QLRHSPJCBLBPGI-UHFFFAOYSA-N 1 1 373.457 3.359 20 5 FGBDMO CN(C)c1cc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc[nH+]1 ZINC000500421993 503621121 /nfs/dbraw/zinc/62/11/21/503621121.db2.gz CCCQFEVLRGUHEE-UHFFFAOYSA-N 1 1 372.428 3.254 20 5 FGBDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000500439054 503625611 /nfs/dbraw/zinc/62/56/11/503625611.db2.gz HRPVFENRFXWAFF-HZPDHXFCSA-N 1 1 353.422 3.330 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000500439054 503625613 /nfs/dbraw/zinc/62/56/13/503625613.db2.gz HRPVFENRFXWAFF-HZPDHXFCSA-N 1 1 353.422 3.330 20 5 FGBDMO CC(C)[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccco1 ZINC000533248721 503776104 /nfs/dbraw/zinc/77/61/04/503776104.db2.gz MSPLBBOAVKVQME-UHFFFAOYSA-N 1 1 359.382 3.396 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@H](CCO)c3ccccc3)co2)cc1 ZINC000537028168 503782380 /nfs/dbraw/zinc/78/23/80/503782380.db2.gz KNIFVODAGLQJHM-GOSISDBHSA-N 1 1 353.378 3.463 20 5 FGBDMO CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000537091516 503799264 /nfs/dbraw/zinc/79/92/64/503799264.db2.gz JHRDESVADCRSKH-HUUCEWRRSA-N 1 1 371.441 3.289 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@H+]2C[C@H](C)[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000543905035 503936388 /nfs/dbraw/zinc/93/63/88/503936388.db2.gz AXZYFWBHANURDD-QRTARXTBSA-N 1 1 361.442 3.443 20 5 FGBDMO COC(=O)COc1ccc(C[NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)cc1[N+](=O)[O-] ZINC000530441412 503965702 /nfs/dbraw/zinc/96/57/02/503965702.db2.gz QHENEKUWLYALKV-WFASDCNBSA-N 1 1 374.393 3.153 20 5 FGBDMO CC[N@@H+](Cc1ccc(C)cc1)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000530500127 503988607 /nfs/dbraw/zinc/98/86/07/503988607.db2.gz NUCAQYTUYJEXCG-UHFFFAOYSA-N 1 1 372.421 3.477 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](c2ccc(C)cc2)C1 ZINC000544191694 504042325 /nfs/dbraw/zinc/04/23/25/504042325.db2.gz PWNLZKQIWGLKRY-INIZCTEOSA-N 1 1 369.421 3.340 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](c2ccc(C)cc2)C1 ZINC000544191694 504042331 /nfs/dbraw/zinc/04/23/31/504042331.db2.gz PWNLZKQIWGLKRY-INIZCTEOSA-N 1 1 369.421 3.340 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[C@H]1c1ccccc1 ZINC000534261094 504087873 /nfs/dbraw/zinc/08/78/73/504087873.db2.gz ZLHSLXLZEKWOIR-QFBILLFUSA-N 1 1 364.405 3.251 20 5 FGBDMO O=[N+]([O-])c1c(N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)ccc2ncccc21 ZINC000534270801 504091915 /nfs/dbraw/zinc/09/19/15/504091915.db2.gz CZFPODLLYDCROF-AEFFLSMTSA-N 1 1 356.426 3.198 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000537957927 504095971 /nfs/dbraw/zinc/09/59/71/504095971.db2.gz ZMQISCFXYFQNLU-OAHLLOKOSA-N 1 1 358.442 3.089 20 5 FGBDMO CCOc1cccc(N2CC[NH+](CCOc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000544352514 504100019 /nfs/dbraw/zinc/10/00/19/504100019.db2.gz IDFUCFMGSUWNMY-UHFFFAOYSA-N 1 1 371.437 3.195 20 5 FGBDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000541350516 504102507 /nfs/dbraw/zinc/10/25/07/504102507.db2.gz XDFBKMAZSVERGQ-ZWKOTPCHSA-N 1 1 358.438 3.288 20 5 FGBDMO Cc1cc(C)cc([C@H]2CC[N@@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000541390536 504115386 /nfs/dbraw/zinc/11/53/86/504115386.db2.gz SIKHBLAWHOJBTB-PXNSSMCTSA-N 1 1 370.449 3.441 20 5 FGBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCc1cccc(OC(F)(F)F)c1)CC2 ZINC000541617769 504201195 /nfs/dbraw/zinc/20/11/95/504201195.db2.gz FHSFMBMHYHCWEO-UHFFFAOYSA-N 1 1 367.327 3.489 20 5 FGBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000534957354 504293134 /nfs/dbraw/zinc/29/31/34/504293134.db2.gz HJRDKUQHZMXERV-UHFFFAOYSA-N 1 1 358.442 3.269 20 5 FGBDMO CC(=O)c1ccc2c(c1)CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC000535212485 504375161 /nfs/dbraw/zinc/37/51/61/504375161.db2.gz OHDMWTJKWSIKKM-UHFFFAOYSA-N 1 1 354.406 3.277 20 5 FGBDMO C[NH+](C)[C@H](C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)c1cccc(Cl)c1 ZINC000535310499 504399312 /nfs/dbraw/zinc/39/93/12/504399312.db2.gz OIWADPRDGWLVPP-SFHVURJKSA-N 1 1 373.840 3.436 20 5 FGBDMO C[C@H]1c2c(F)cccc2CC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000542278750 504436307 /nfs/dbraw/zinc/43/63/07/504436307.db2.gz LCMDJVMCUWZWPZ-ZFWWWQNUSA-N 1 1 360.385 3.093 20 5 FGBDMO C[C@H]1c2c(F)cccc2CC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000542278750 504436311 /nfs/dbraw/zinc/43/63/11/504436311.db2.gz LCMDJVMCUWZWPZ-ZFWWWQNUSA-N 1 1 360.385 3.093 20 5 FGBDMO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000531878465 504456973 /nfs/dbraw/zinc/45/69/73/504456973.db2.gz QQBXYXVGMYPCCG-QGZVFWFLSA-N 1 1 374.828 3.210 20 5 FGBDMO C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccccc1[N+](=O)[O-] ZINC000539363288 504542265 /nfs/dbraw/zinc/54/22/65/504542265.db2.gz JWKSWCRASDZGOH-DOTOQJQBSA-N 1 1 368.437 3.079 20 5 FGBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000539526535 504599032 /nfs/dbraw/zinc/59/90/32/504599032.db2.gz XBJJFMPPFOFTHS-INIZCTEOSA-N 1 1 363.458 3.053 20 5 FGBDMO Cc1cn2cc(Nc3cc(C)nc(-c4ccc([N+](=O)[O-])cc4)n3)ccc2[nH+]1 ZINC000535988966 504600548 /nfs/dbraw/zinc/60/05/48/504600548.db2.gz NXMJIAJWYJMDMX-UHFFFAOYSA-N 1 1 360.377 3.482 20 5 FGBDMO C[N@H+]1Cc2ccccc2[C@@H](Nc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000536022249 504610935 /nfs/dbraw/zinc/61/09/35/504610935.db2.gz GWUGNWBXRFPKSE-ZDUSSCGKSA-N 1 1 363.215 3.351 20 5 FGBDMO C[N@@H+]1Cc2ccccc2[C@@H](Nc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000536022249 504610937 /nfs/dbraw/zinc/61/09/37/504610937.db2.gz GWUGNWBXRFPKSE-ZDUSSCGKSA-N 1 1 363.215 3.351 20 5 FGBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@]3(CC[C@@H](C)C3)C2)c([N+](=O)[O-])c1 ZINC000542881404 504645874 /nfs/dbraw/zinc/64/58/74/504645874.db2.gz FNDFNFMXVCGWEA-TYILLQQXSA-N 1 1 361.442 3.443 20 5 FGBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000549157120 504706357 /nfs/dbraw/zinc/70/63/57/504706357.db2.gz VQRCXCUJJJLJIU-GOSISDBHSA-N 1 1 357.385 3.014 20 5 FGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000549157120 504706360 /nfs/dbraw/zinc/70/63/60/504706360.db2.gz VQRCXCUJJJLJIU-GOSISDBHSA-N 1 1 357.385 3.014 20 5 FGBDMO CC[C@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000549264006 504776975 /nfs/dbraw/zinc/77/69/75/504776975.db2.gz SYGYTBGMUNXBAA-INIZCTEOSA-N 1 1 356.426 3.099 20 5 FGBDMO CC(=O)c1cc(NCC[NH+]2CCN(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000552973002 504796202 /nfs/dbraw/zinc/79/62/02/504796202.db2.gz CACKWGMISRZZAP-UHFFFAOYSA-N 1 1 368.437 3.032 20 5 FGBDMO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000565264916 504837422 /nfs/dbraw/zinc/83/74/22/504837422.db2.gz DVHUMTIZCGCAKC-CYBMUJFWSA-N 1 1 351.472 3.263 20 5 FGBDMO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCc1c[nH+]c2n1CCCC2 ZINC000553254959 504865445 /nfs/dbraw/zinc/86/54/45/504865445.db2.gz DWQKLUVBYOMLJM-UHFFFAOYSA-N 1 1 362.361 3.056 20 5 FGBDMO COC[C@H]1CC[N@H+]1Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000565589913 504930876 /nfs/dbraw/zinc/93/08/76/504930876.db2.gz AVOBOVDBRPPVED-GOSISDBHSA-N 1 1 372.421 3.403 20 5 FGBDMO CCCOc1ccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000550616321 505074328 /nfs/dbraw/zinc/07/43/28/505074328.db2.gz BVIXJOVDIMACLB-INIZCTEOSA-N 1 1 356.426 3.465 20 5 FGBDMO C[C@@H](C(=O)N1CC[N@H+]([C@H]2C[C@@H]2C)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000554129089 505099900 /nfs/dbraw/zinc/09/99/00/505099900.db2.gz YUSQNFBTWPLFMY-FLTUCWPJSA-N 1 1 363.433 3.026 20 5 FGBDMO C[N@H+]1CCC[C@H](CNc2cccc(C(N)=O)c2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000557589254 505176349 /nfs/dbraw/zinc/17/63/49/505176349.db2.gz SBXQRTOYFNTCFZ-WBMJQRKESA-N 1 1 374.466 3.250 20 5 FGBDMO CC1(C)C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)Cc2ccccc2O1 ZINC000566685860 505244140 /nfs/dbraw/zinc/24/41/40/505244140.db2.gz MYXKFDXHOJNIBY-KRWDZBQOSA-N 1 1 372.421 3.008 20 5 FGBDMO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(OCc2cccnc2)cc1 ZINC000561089816 505247363 /nfs/dbraw/zinc/24/73/63/505247363.db2.gz CTJQSRDPSWZERF-CQSZACIVSA-N 1 1 367.409 3.153 20 5 FGBDMO COc1cccc(Cl)c1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000554848149 505280010 /nfs/dbraw/zinc/28/00/10/505280010.db2.gz IKEWXXOLHFJTMS-UHFFFAOYSA-N 1 1 350.806 3.290 20 5 FGBDMO C[C@H]1CCC[N@@H+](C(C)(C)CNCCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000566850541 505291491 /nfs/dbraw/zinc/29/14/91/505291491.db2.gz GIVGZDKXJXVZSN-HNNXBMFYSA-N 1 1 362.474 3.024 20 5 FGBDMO C[C@H]1CCC[N@H+](C(C)(C)CNCCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000566850541 505291498 /nfs/dbraw/zinc/29/14/98/505291498.db2.gz GIVGZDKXJXVZSN-HNNXBMFYSA-N 1 1 362.474 3.024 20 5 FGBDMO CCC[N@@H+](C)[C@@H](CNc1c([N+](=O)[O-])ncn1C)c1ccc(Cl)cc1 ZINC000561335977 505317752 /nfs/dbraw/zinc/31/77/52/505317752.db2.gz NQRIURUQKQEOOO-AWEZNQCLSA-N 1 1 351.838 3.477 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]C[C@@H](CO)CC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000552056058 505384082 /nfs/dbraw/zinc/38/40/82/505384082.db2.gz PNJADLUHYLQTQH-LPHOPBHVSA-N 1 1 372.469 3.196 20 5 FGBDMO C[C@@H](C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000561691271 505410701 /nfs/dbraw/zinc/41/07/01/505410701.db2.gz OLJRWJBZQLUVNP-HNNXBMFYSA-N 1 1 367.449 3.393 20 5 FGBDMO C[C@@H](C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000561691271 505410704 /nfs/dbraw/zinc/41/07/04/505410704.db2.gz OLJRWJBZQLUVNP-HNNXBMFYSA-N 1 1 367.449 3.393 20 5 FGBDMO Cn1cc(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000564533729 505444320 /nfs/dbraw/zinc/44/43/20/505444320.db2.gz XHFZCYQETVKLDA-IEBWSBKVSA-N 1 1 370.453 3.385 20 5 FGBDMO CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000552277740 505448102 /nfs/dbraw/zinc/44/81/02/505448102.db2.gz HNBYXVPBSVQGFU-NEWSRXKRSA-N 1 1 372.469 3.459 20 5 FGBDMO C[C@H](Cc1ccccc1C(F)(F)F)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000561899534 505462743 /nfs/dbraw/zinc/46/27/43/505462743.db2.gz QZQCAAGHNFYEAM-LLVKDONJSA-N 1 1 356.348 3.410 20 5 FGBDMO C[C@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000561899534 505462746 /nfs/dbraw/zinc/46/27/46/505462746.db2.gz QZQCAAGHNFYEAM-LLVKDONJSA-N 1 1 356.348 3.410 20 5 FGBDMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000564602557 505467026 /nfs/dbraw/zinc/46/70/26/505467026.db2.gz XMVBIUOQPLWYSL-GFCCVEGCSA-N 1 1 362.455 3.177 20 5 FGBDMO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558739848 505479363 /nfs/dbraw/zinc/47/93/63/505479363.db2.gz QBELIWTYDCSBDX-LSDHHAIUSA-N 1 1 373.428 3.474 20 5 FGBDMO CCC[N@H+](CCCN(C)C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000561980565 505484102 /nfs/dbraw/zinc/48/41/02/505484102.db2.gz XSGISQIGYXXTBE-UHFFFAOYSA-N 1 1 359.474 3.159 20 5 FGBDMO CCC[N@@H+](CCCN(C)C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000561980565 505484106 /nfs/dbraw/zinc/48/41/06/505484106.db2.gz XSGISQIGYXXTBE-UHFFFAOYSA-N 1 1 359.474 3.159 20 5 FGBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000567524620 505488107 /nfs/dbraw/zinc/48/81/07/505488107.db2.gz 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HMLNASYEYKJMIH-CQSZACIVSA-N 1 1 365.499 3.456 20 5 FGBDMO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000604476350 506842633 /nfs/dbraw/zinc/84/26/33/506842633.db2.gz VDFXNQNKLALDPA-UHFFFAOYSA-N 1 1 374.485 3.392 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000604484510 506845147 /nfs/dbraw/zinc/84/51/47/506845147.db2.gz ZRZDROKQQCFNNW-GOSISDBHSA-N 1 1 355.394 3.384 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000604484510 506845153 /nfs/dbraw/zinc/84/51/53/506845153.db2.gz ZRZDROKQQCFNNW-GOSISDBHSA-N 1 1 355.394 3.384 20 5 FGBDMO C[C@@H](C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000600231048 506862032 /nfs/dbraw/zinc/86/20/32/506862032.db2.gz ZZWVZSIDPORYEQ-CZUORRHYSA-N 1 1 363.433 3.361 20 5 FGBDMO COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)Cc1cc([N+](=O)[O-])ccc1OC ZINC000604540482 506866824 /nfs/dbraw/zinc/86/68/24/506866824.db2.gz FAELWRGPSWFBOQ-OAHLLOKOSA-N 1 1 372.421 3.415 20 5 FGBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000590626069 506887127 /nfs/dbraw/zinc/88/71/27/506887127.db2.gz BATBYRCUFKPLGK-NSHDSACASA-N 1 1 359.348 3.074 20 5 FGBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000609489174 506897161 /nfs/dbraw/zinc/89/71/61/506897161.db2.gz AGHXWINNPHLHEA-ZFWWWQNUSA-N 1 1 351.472 3.066 20 5 FGBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](c3ccco3)C2)c([N+](=O)[O-])c1 ZINC000609539839 506915147 /nfs/dbraw/zinc/91/51/47/506915147.db2.gz DYFFYILVQSLPPM-ZDUSSCGKSA-N 1 1 359.382 3.015 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000600473132 506963326 /nfs/dbraw/zinc/96/33/26/506963326.db2.gz RILBVFCJPFKTIR-OAHLLOKOSA-N 1 1 363.483 3.454 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594198248 507002161 /nfs/dbraw/zinc/00/21/61/507002161.db2.gz TZDRKFNJPJIEHZ-HZPDHXFCSA-N 1 1 363.483 3.454 20 5 FGBDMO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000583898790 507039190 /nfs/dbraw/zinc/03/91/90/507039190.db2.gz LZULQLDDYCXUMY-CVEARBPZSA-N 1 1 371.437 3.150 20 5 FGBDMO CC(C)(NC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000594283369 507061529 /nfs/dbraw/zinc/06/15/29/507061529.db2.gz GSDWRTRQUDZHBD-DLBZAZTESA-N 1 1 360.458 3.146 20 5 FGBDMO C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000609995731 507065277 /nfs/dbraw/zinc/06/52/77/507065277.db2.gz JFVACOUASDFZPC-HOCLYGCPSA-N 1 1 356.426 3.048 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000597709950 507069707 /nfs/dbraw/zinc/06/97/07/507069707.db2.gz DYINTODAUOIQKD-QGZVFWFLSA-N 1 1 351.834 3.115 20 5 FGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597855599 507136116 /nfs/dbraw/zinc/13/61/16/507136116.db2.gz TZSASULUBGAWEO-KGLIPLIRSA-N 1 1 365.499 3.312 20 5 FGBDMO CC(C)Oc1cc(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000597859929 507137322 /nfs/dbraw/zinc/13/73/22/507137322.db2.gz IEQBAXSTBDDXDN-AWEZNQCLSA-N 1 1 363.458 3.232 20 5 FGBDMO C[C@@H](Cc1ccccn1)[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000594513191 507162660 /nfs/dbraw/zinc/16/26/60/507162660.db2.gz BYWOIGDCWSRCFN-KBXCAEBGSA-N 1 1 351.410 3.034 20 5 FGBDMO O=[N+]([O-])c1cc(Br)cnc1N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594603362 507204929 /nfs/dbraw/zinc/20/49/29/507204929.db2.gz UOFLDQZZTAEHQD-NEPJUHHUSA-N 1 1 355.236 3.181 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000594736831 507261887 /nfs/dbraw/zinc/26/18/87/507261887.db2.gz WOKVWELAMXLBDO-AWEZNQCLSA-N 1 1 369.412 3.408 20 5 FGBDMO CC(C)CC(=O)N1CCC(Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000601109264 507263012 /nfs/dbraw/zinc/26/30/12/507263012.db2.gz SZTLNVYZSMBPOL-UHFFFAOYSA-N 1 1 356.426 3.014 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000610543150 507283855 /nfs/dbraw/zinc/28/38/55/507283855.db2.gz PUAFOVZLXAHCOF-IBGZPJMESA-N 1 1 355.438 3.180 20 5 FGBDMO CN(Cc1ccccc1)[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000610543150 507283861 /nfs/dbraw/zinc/28/38/61/507283861.db2.gz PUAFOVZLXAHCOF-IBGZPJMESA-N 1 1 355.438 3.180 20 5 FGBDMO CN(Cc1ccccc1)[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000610543150 507283867 /nfs/dbraw/zinc/28/38/67/507283867.db2.gz PUAFOVZLXAHCOF-IBGZPJMESA-N 1 1 355.438 3.180 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601170849 507286671 /nfs/dbraw/zinc/28/66/71/507286671.db2.gz DTDJNKHOTROSHE-CABCVRRESA-N 1 1 363.433 3.461 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000598195615 507307717 /nfs/dbraw/zinc/30/77/17/507307717.db2.gz PQXPEHSLKPWTSW-IBGZPJMESA-N 1 1 367.449 3.292 20 5 FGBDMO C[C@@H](C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000598218561 507322940 /nfs/dbraw/zinc/32/29/40/507322940.db2.gz IDEFHNNPVFJLAC-KGLIPLIRSA-N 1 1 363.433 3.361 20 5 FGBDMO CCc1ccc([C@@H]([NH2+]CC[C@H](O)C(F)F)c2ccc([N+](=O)[O-])cc2)o1 ZINC000601298259 507326320 /nfs/dbraw/zinc/32/63/20/507326320.db2.gz FZLVFFJXSZDKAT-HOCLYGCPSA-N 1 1 354.353 3.445 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601701956 507431506 /nfs/dbraw/zinc/43/15/06/507431506.db2.gz QVWLHPTXMQOTGJ-GOEBONIOSA-N 1 1 371.412 3.232 20 5 FGBDMO COc1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(C)c1OC ZINC000584681393 507447650 /nfs/dbraw/zinc/44/76/50/507447650.db2.gz AFEJMJUHNKVZCS-UHFFFAOYSA-N 1 1 356.382 3.087 20 5 FGBDMO Cc1noc(C[N@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)c1[N+](=O)[O-] ZINC000595305909 507454909 /nfs/dbraw/zinc/45/49/09/507454909.db2.gz SIABVWYAJPDRJV-UHFFFAOYSA-N 1 1 355.398 3.346 20 5 FGBDMO Cc1noc(C[N@@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)c1[N+](=O)[O-] ZINC000595305909 507454913 /nfs/dbraw/zinc/45/49/13/507454913.db2.gz SIABVWYAJPDRJV-UHFFFAOYSA-N 1 1 355.398 3.346 20 5 FGBDMO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC000595373345 507474005 /nfs/dbraw/zinc/47/40/05/507474005.db2.gz YZTKFFAJROFXQE-UHFFFAOYSA-N 1 1 371.412 3.471 20 5 FGBDMO Cc1noc(C[N@H+]2CCC[C@H](c3nc4cc(C)ccc4[nH]3)C2)c1[N+](=O)[O-] ZINC000595403711 507483364 /nfs/dbraw/zinc/48/33/64/507483364.db2.gz JFEFELOBIWXXRU-ZDUSSCGKSA-N 1 1 355.398 3.456 20 5 FGBDMO Cc1noc(C[N@@H+]2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)c1[N+](=O)[O-] ZINC000595403711 507483376 /nfs/dbraw/zinc/48/33/76/507483376.db2.gz JFEFELOBIWXXRU-ZDUSSCGKSA-N 1 1 355.398 3.456 20 5 FGBDMO Cc1noc(C[N@H+]2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)c1[N+](=O)[O-] ZINC000595403711 507483382 /nfs/dbraw/zinc/48/33/82/507483382.db2.gz JFEFELOBIWXXRU-ZDUSSCGKSA-N 1 1 355.398 3.456 20 5 FGBDMO Cc1noc(CN[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595436311 507495624 /nfs/dbraw/zinc/49/56/24/507495624.db2.gz MTFOZFRFIJPEEN-UOIKSKOESA-N 1 1 358.442 3.137 20 5 FGBDMO CC(C)COCC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132640 507498513 /nfs/dbraw/zinc/49/85/13/507498513.db2.gz LYYYNFRTAGCCBD-IYARVYRRSA-N 1 1 350.459 3.373 20 5 FGBDMO Cc1c(CNC(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000595589074 507578133 /nfs/dbraw/zinc/57/81/33/507578133.db2.gz ZPFSWWWKZFACBB-INIZCTEOSA-N 1 1 360.458 3.109 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@H](Cc3ccccc3)C1)OCCO2 ZINC000611254928 507584434 /nfs/dbraw/zinc/58/44/34/507584434.db2.gz SAFVBJAJYGCWRU-MRXNPFEDSA-N 1 1 354.406 3.431 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@@H](Nc3ccccc3)C1)OCCO2 ZINC000611274391 507598567 /nfs/dbraw/zinc/59/85/67/507598567.db2.gz QMZCUMKPHQYLLM-QGZVFWFLSA-N 1 1 369.421 3.443 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@@H](Nc3ccccc3)C1)OCCO2 ZINC000611274391 507598577 /nfs/dbraw/zinc/59/85/77/507598577.db2.gz QMZCUMKPHQYLLM-QGZVFWFLSA-N 1 1 369.421 3.443 20 5 FGBDMO COc1ccc(NC(=O)CC[N@H+]2CCc3ccc(C)cc3C2)c([N+](=O)[O-])c1 ZINC000595656394 507617546 /nfs/dbraw/zinc/61/75/46/507617546.db2.gz ABOMIFKSZMBAJU-UHFFFAOYSA-N 1 1 369.421 3.299 20 5 FGBDMO CN1CCO[C@@H]2CC[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C[C@H]21 ZINC000585767639 507623004 /nfs/dbraw/zinc/62/30/04/507623004.db2.gz XREZOFLOWIGMEU-QZTJIDSGSA-N 1 1 373.478 3.228 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2CCO)c([N+](=O)[O-])cc1OC(F)F ZINC000595704789 507641000 /nfs/dbraw/zinc/64/10/00/507641000.db2.gz VNCWFNVNJQGOES-YPMHNXCESA-N 1 1 374.384 3.188 20 5 FGBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CCF)C2)c([N+](=O)[O-])c1 ZINC000595754848 507668008 /nfs/dbraw/zinc/66/80/08/507668008.db2.gz DISHRUKGSAGNDW-OLZOCXBDSA-N 1 1 353.394 3.002 20 5 FGBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](CCF)C2)c([N+](=O)[O-])c1 ZINC000595754848 507668014 /nfs/dbraw/zinc/66/80/14/507668014.db2.gz DISHRUKGSAGNDW-OLZOCXBDSA-N 1 1 353.394 3.002 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CCF)C1 ZINC000595755728 507669998 /nfs/dbraw/zinc/66/99/98/507669998.db2.gz OZAPBUPTVNXMIK-CHWSQXEVSA-N 1 1 353.394 3.002 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CCF)C1 ZINC000595755728 507670002 /nfs/dbraw/zinc/67/00/02/507670002.db2.gz OZAPBUPTVNXMIK-CHWSQXEVSA-N 1 1 353.394 3.002 20 5 FGBDMO COc1ccc(OCC[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c([N+](=O)[O-])c1 ZINC000595786940 507684695 /nfs/dbraw/zinc/68/46/95/507684695.db2.gz CZANTUCWIOGXBV-YJBOKZPZSA-N 1 1 364.442 3.263 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3nc4c(s3)CCCC4)C2)nc1 ZINC000611464559 507693771 /nfs/dbraw/zinc/69/37/71/507693771.db2.gz WCUUVTDQCFXFOW-LBPRGKRZSA-N 1 1 359.455 3.012 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3nc4c(s3)CCCC4)C2)nc1 ZINC000611464559 507693778 /nfs/dbraw/zinc/69/37/78/507693778.db2.gz WCUUVTDQCFXFOW-LBPRGKRZSA-N 1 1 359.455 3.012 20 5 FGBDMO Cc1nnc([C@H]2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)[nH]1 ZINC000602483293 507722258 /nfs/dbraw/zinc/72/22/58/507722258.db2.gz IPYPMHGVYUBMTH-LBPRGKRZSA-N 1 1 369.347 3.420 20 5 FGBDMO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)n1 ZINC000602483293 507722262 /nfs/dbraw/zinc/72/22/62/507722262.db2.gz IPYPMHGVYUBMTH-LBPRGKRZSA-N 1 1 369.347 3.420 20 5 FGBDMO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)n1 ZINC000602483293 507722266 /nfs/dbraw/zinc/72/22/66/507722266.db2.gz IPYPMHGVYUBMTH-LBPRGKRZSA-N 1 1 369.347 3.420 20 5 FGBDMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000587991267 507726034 /nfs/dbraw/zinc/72/60/34/507726034.db2.gz PPXPKWUDFABJMJ-UHFFFAOYSA-N 1 1 373.840 3.134 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@H](COc3ccccc3)C1)OCCO2 ZINC000611561458 507741277 /nfs/dbraw/zinc/74/12/77/507741277.db2.gz DSEYXGRSPQUBSK-HNNXBMFYSA-N 1 1 370.405 3.267 20 5 FGBDMO CC(C)N(C(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000592693978 507767410 /nfs/dbraw/zinc/76/74/10/507767410.db2.gz GAARPYBJJSCRKP-MRXNPFEDSA-N 1 1 357.410 3.313 20 5 FGBDMO COc1ccccc1N1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000002893910 537067991 /nfs/dbraw/zinc/06/79/91/537067991.db2.gz KJMFKFSAOJIZAG-VURMDHGXSA-N 1 1 353.422 3.439 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C2CC2)cc1 ZINC000826498184 608173364 /nfs/dbraw/zinc/17/33/64/608173364.db2.gz KLPRVLGJYQVGRO-UHFFFAOYSA-N 1 1 368.372 3.079 20 5 FGBDMO O=[N+]([O-])c1ccc2ncnc(NCC[N@H+]3CCc4sccc4C3)c2c1 ZINC000611707032 676051521 /nfs/dbraw/zinc/05/15/21/676051521.db2.gz DBIJNIYHSBNFNA-UHFFFAOYSA-N 1 1 355.423 3.070 20 5 FGBDMO CCC[NH+]1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000047509159 695861225 /nfs/dbraw/zinc/86/12/25/695861225.db2.gz JXYUZNPPOOZMKF-UHFFFAOYSA-N 1 1 362.308 3.054 20 5 FGBDMO C[N@H+](Cc1ccc(Br)o1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136929326 704865850 /nfs/dbraw/zinc/86/58/50/704865850.db2.gz HCEVEHZKAVUWFQ-ZDUSSCGKSA-N 1 1 355.188 3.116 20 5 FGBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175793514 705559397 /nfs/dbraw/zinc/55/93/97/705559397.db2.gz IGJVVNMPTVHVNN-FRRDWIJNSA-N 1 1 353.850 3.344 20 5 FGBDMO Cc1sc(C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000522397274 714186786 /nfs/dbraw/zinc/18/67/86/714186786.db2.gz SCTILSFFFBVHDC-UHFFFAOYSA-N 1 1 351.472 3.301 20 5 FGBDMO C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@H]1CCCC[C@H]1O ZINC000779152804 724395873 /nfs/dbraw/zinc/39/58/73/724395873.db2.gz GNOPTGUDWJMHGC-IUODEOHRSA-N 1 1 357.248 3.340 20 5 FGBDMO O=C([C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1)N1CCCC1 ZINC000783566601 724765673 /nfs/dbraw/zinc/76/56/73/724765673.db2.gz IQDNPKQSJDMCIH-CQSZACIVSA-N 1 1 351.834 3.083 20 5 FGBDMO Cc1[nH+]ccn1CCCC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000741956805 722550839 /nfs/dbraw/zinc/55/08/39/722550839.db2.gz IAEVORHLWSKYEK-QGZVFWFLSA-N 1 1 360.439 3.154 20 5 FGBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756942611 722972198 /nfs/dbraw/zinc/97/21/98/722972198.db2.gz PEVOMFGWYHPAMT-AWEZNQCLSA-N 1 1 368.865 3.312 20 5 FGBDMO Cn1cc[nH+]c1N1CCC(Nc2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000758120700 722984618 /nfs/dbraw/zinc/98/46/18/722984618.db2.gz YWFKDLUXLZCSQH-UHFFFAOYSA-N 1 1 358.427 3.019 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000758271736 722987434 /nfs/dbraw/zinc/98/74/34/722987434.db2.gz HHMSQGUWMGYBDY-SJORKVTESA-N 1 1 356.451 3.327 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000758271734 722987448 /nfs/dbraw/zinc/98/74/48/722987448.db2.gz HHMSQGUWMGYBDY-IRXDYDNUSA-N 1 1 356.451 3.327 20 5 FGBDMO O=[N+]([O-])c1ccc2nc(N[C@H]3CCCC[C@@H]3[NH+]3CCOCC3)sc2c1 ZINC000763377356 723338594 /nfs/dbraw/zinc/33/85/94/723338594.db2.gz WHRAPLHXDLOSTK-ZFWWWQNUSA-N 1 1 362.455 3.260 20 5 FGBDMO O=[N+]([O-])c1ccc(Br)c2c1C[N@H+](C[C@H]1CCCOC1)CC2 ZINC000792897959 723378923 /nfs/dbraw/zinc/37/89/23/723378923.db2.gz OOHITELCIIVGBL-LLVKDONJSA-N 1 1 355.232 3.142 20 5 FGBDMO O=[N+]([O-])c1ccc(Br)c2c1C[N@@H+](C[C@H]1CCCOC1)CC2 ZINC000792897959 723378927 /nfs/dbraw/zinc/37/89/27/723378927.db2.gz OOHITELCIIVGBL-LLVKDONJSA-N 1 1 355.232 3.142 20 5 FGBDMO O=C(NC[C@H]1CCCC[N@H+]1C1CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000765661819 723531104 /nfs/dbraw/zinc/53/11/04/723531104.db2.gz JJNCAGAUFSDCMT-CYBMUJFWSA-N 1 1 352.822 3.387 20 5 FGBDMO O=C([C@@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1)N1CCCC1 ZINC000768554577 723661728 /nfs/dbraw/zinc/66/17/28/723661728.db2.gz KIQUTTAJTNWINA-CQSZACIVSA-N 1 1 351.834 3.083 20 5 FGBDMO O=C([C@@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1)N1CCCC1 ZINC000768554577 723661729 /nfs/dbraw/zinc/66/17/29/723661729.db2.gz KIQUTTAJTNWINA-CQSZACIVSA-N 1 1 351.834 3.083 20 5 FGBDMO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000768892892 723671472 /nfs/dbraw/zinc/67/14/72/723671472.db2.gz RYVBITUWVFUCEI-NSHDSACASA-N 1 1 365.231 3.460 20 5 FGBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000768892892 723671473 /nfs/dbraw/zinc/67/14/73/723671473.db2.gz RYVBITUWVFUCEI-NSHDSACASA-N 1 1 365.231 3.460 20 5 FGBDMO Cc1c(NC(=O)CC[N@@H+]2CCC=C(Br)C2)cccc1[N+](=O)[O-] ZINC000799326984 724010980 /nfs/dbraw/zinc/01/09/80/724010980.db2.gz GIHOSJPICARQQR-UHFFFAOYSA-N 1 1 368.231 3.216 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CCC=C(Br)C2)cccc1[N+](=O)[O-] ZINC000799326984 724010984 /nfs/dbraw/zinc/01/09/84/724010984.db2.gz GIHOSJPICARQQR-UHFFFAOYSA-N 1 1 368.231 3.216 20 5 FGBDMO C[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CC1(O)CCCCCC1 ZINC000778284913 724318566 /nfs/dbraw/zinc/31/85/66/724318566.db2.gz YLBGMRFMVHRDCJ-UHFFFAOYSA-N 1 1 369.849 3.204 20 5 FGBDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000788475563 725066442 /nfs/dbraw/zinc/06/64/42/725066442.db2.gz FCSYVKFCIPSPPK-DZGCQCFKSA-N 1 1 351.422 3.251 20 5 FGBDMO CN(C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000806252021 725121732 /nfs/dbraw/zinc/12/17/32/725121732.db2.gz BJLJAOLQNOCYJN-FUNVUKJBSA-N 1 1 352.822 3.337 20 5 FGBDMO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CCC[C@H]3[C@@H]3CCCO3)c2c(Cl)c1 ZINC000789509143 725132936 /nfs/dbraw/zinc/13/29/36/725132936.db2.gz SZAYQDVKUUFYRZ-GJZGRUSLSA-N 1 1 350.806 3.199 20 5 FGBDMO O=[N+]([O-])c1cc2cnn(C[N@H+]3CCC[C@H]3[C@@H]3CCCO3)c2c(Cl)c1 ZINC000789509143 725132937 /nfs/dbraw/zinc/13/29/37/725132937.db2.gz SZAYQDVKUUFYRZ-GJZGRUSLSA-N 1 1 350.806 3.199 20 5 FGBDMO C[C@H](CN1CCOCC1)[N@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809998196 725281331 /nfs/dbraw/zinc/28/13/31/725281331.db2.gz NJEMVTRATBUJEZ-LLVKDONJSA-N 1 1 362.257 3.054 20 5 FGBDMO C[C@H](CN1CCOCC1)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809998196 725281333 /nfs/dbraw/zinc/28/13/33/725281333.db2.gz NJEMVTRATBUJEZ-LLVKDONJSA-N 1 1 362.257 3.054 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000810844850 725330506 /nfs/dbraw/zinc/33/05/06/725330506.db2.gz AWHDBHFPFMVQDO-NWANDNLSSA-N 1 1 350.440 3.245 20 5 FGBDMO CC(C)(C)SCC(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813170911 726846139 /nfs/dbraw/zinc/84/61/39/726846139.db2.gz NBNLFYYOGLXHKX-HNNXBMFYSA-N 1 1 352.456 3.244 20 5 FGBDMO CC(C)(C)SCC(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813170911 726846145 /nfs/dbraw/zinc/84/61/45/726846145.db2.gz NBNLFYYOGLXHKX-HNNXBMFYSA-N 1 1 352.456 3.244 20 5 FGBDMO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC[NH+](C2CCC2)CC1 ZINC000813451977 726878045 /nfs/dbraw/zinc/87/80/45/726878045.db2.gz HECWXFLBQBEADS-UHFFFAOYSA-N 1 1 358.225 3.212 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1Cl ZINC000836376644 729953615 /nfs/dbraw/zinc/95/36/15/729953615.db2.gz HNWOZVFFLDPLRE-DGCLKSJQSA-N 1 1 353.850 3.407 20 5 FGBDMO O=[N+]([O-])c1cc2cnn(C[N@H+]3CCC[C@H]3[C@@H]3CCCOC3)c2c(Cl)c1 ZINC000842614023 730518874 /nfs/dbraw/zinc/51/88/74/730518874.db2.gz FXTMKZKRLMEYDX-WBMJQRKESA-N 1 1 364.833 3.446 20 5 FGBDMO CCc1[nH+]ccn1[C@H](C)CC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000843820425 730657533 /nfs/dbraw/zinc/65/75/33/730657533.db2.gz ATUHTIHHMSRLKI-LLVKDONJSA-N 1 1 350.806 3.275 20 5 FGBDMO CC(C)n1nccc1C[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000883288267 737547418 /nfs/dbraw/zinc/54/74/18/737547418.db2.gz XUVXBIWEZGGWQD-UHFFFAOYSA-N 1 1 353.220 3.425 20 5 FGBDMO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000847182103 731029746 /nfs/dbraw/zinc/02/97/46/731029746.db2.gz XHCISOSXCCYCPO-AAEUAGOBSA-N 1 1 352.822 3.387 20 5 FGBDMO C[N@H+]1CC[C@@H](CCOC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000847827583 731098460 /nfs/dbraw/zinc/09/84/60/731098460.db2.gz UVGOTJYHDKYTLI-LBPRGKRZSA-N 1 1 361.423 3.217 20 5 FGBDMO CC1(C)CC[N@@H+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)CCS1 ZINC000848485365 731170187 /nfs/dbraw/zinc/17/01/87/731170187.db2.gz LUPFMBRIQFEIAW-MRXNPFEDSA-N 1 1 363.483 3.086 20 5 FGBDMO Cc1cc(Cl)c(C(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000854735010 731857752 /nfs/dbraw/zinc/85/77/52/731857752.db2.gz HYVAQFACTBRQFX-QGZVFWFLSA-N 1 1 351.834 3.115 20 5 FGBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000874832791 735936801 /nfs/dbraw/zinc/93/68/01/735936801.db2.gz HBYSBLRIEWHIRD-CHWSQXEVSA-N 1 1 369.874 3.035 20 5 FGBDMO C[C@@]12CC[N@H+](Cc3nnc(-c4ccccc4[N+](=O)[O-])o3)C[C@@H]1C2(F)F ZINC000878638294 736902984 /nfs/dbraw/zinc/90/29/84/736902984.db2.gz QAKBTNGSQDURKF-SWLSCSKDSA-N 1 1 350.325 3.122 20 5 FGBDMO C[C@@]12CC[N@@H+](Cc3nnc(-c4ccccc4[N+](=O)[O-])o3)C[C@@H]1C2(F)F ZINC000878638294 736902986 /nfs/dbraw/zinc/90/29/86/736902986.db2.gz QAKBTNGSQDURKF-SWLSCSKDSA-N 1 1 350.325 3.122 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](c3nccs3)C2)cccc1[N+](=O)[O-] ZINC000880318315 737153844 /nfs/dbraw/zinc/15/38/44/737153844.db2.gz FBALMPKTBNCFGK-STQMWFEESA-N 1 1 360.439 3.176 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H](c3nccs3)C2)cccc1[N+](=O)[O-] ZINC000880318315 737153848 /nfs/dbraw/zinc/15/38/48/737153848.db2.gz FBALMPKTBNCFGK-STQMWFEESA-N 1 1 360.439 3.176 20 5 FGBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000888288569 739497401 /nfs/dbraw/zinc/49/74/01/739497401.db2.gz QMVFIPPSQTVZNT-RYUDHWBXSA-N 1 1 352.822 3.305 20 5 FGBDMO C[C@H]1C[C@@H](C(=O)OCc2ccc([N+](=O)[O-])cc2Br)CC[N@H+]1C ZINC000889097196 739624247 /nfs/dbraw/zinc/62/42/47/739624247.db2.gz VISLKHSAHMQMMZ-QWRGUYRKSA-N 1 1 371.231 3.131 20 5 FGBDMO CN(C)c1nc(C(F)(F)F)ccc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000892609158 740022408 /nfs/dbraw/zinc/02/24/08/740022408.db2.gz WAYUZRXYDFSYJF-UHFFFAOYSA-N 1 1 354.332 3.364 20 5 FGBDMO COc1ccc(C[NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])cc1Cl ZINC000893170342 742119504 /nfs/dbraw/zinc/11/95/04/742119504.db2.gz IGRALDWISIIURZ-UHFFFAOYSA-N 1 1 352.774 3.261 20 5 FGBDMO COc1c(O)ccc(C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c1[N+](=O)[O-] ZINC000895405881 742407502 /nfs/dbraw/zinc/40/75/02/742407502.db2.gz QMERNCHPIISXSY-CZUORRHYSA-N 1 1 350.415 3.090 20 5 FGBDMO CCO/C=C/[C@@](O)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C(F)(F)F ZINC000895708490 742443699 /nfs/dbraw/zinc/44/36/99/742443699.db2.gz SEMRKOUUTCTMFZ-URWSZGRFSA-N 1 1 368.739 3.181 20 5 FGBDMO O=[N+]([O-])c1c(Br)cccc1NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000896520966 742561371 /nfs/dbraw/zinc/56/13/71/742561371.db2.gz APZLLAFNARBFMO-LBPRGKRZSA-N 1 1 370.247 3.023 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000896519670 742561410 /nfs/dbraw/zinc/56/14/10/742561410.db2.gz XBPXIIGAXDVLGL-CYBMUJFWSA-N 1 1 370.247 3.023 20 5 FGBDMO CCOC(=O)[C@@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000896962362 742622137 /nfs/dbraw/zinc/62/21/37/742622137.db2.gz NEMARKKRFQWBKP-CYBMUJFWSA-N 1 1 361.423 3.103 20 5 FGBDMO CCOC(=O)[C@@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000896962362 742622142 /nfs/dbraw/zinc/62/21/42/742622142.db2.gz NEMARKKRFQWBKP-CYBMUJFWSA-N 1 1 361.423 3.103 20 5 FGBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000907064152 744183093 /nfs/dbraw/zinc/18/30/93/744183093.db2.gz GURCZKWUHHOLQZ-RHSMWYFYSA-N 1 1 365.861 3.124 20 5 FGBDMO C[NH+](C)[C@@H](CNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])c1ccco1 ZINC000929322311 760359931 /nfs/dbraw/zinc/35/99/31/760359931.db2.gz SBPSBOJGHVZGAX-HNNXBMFYSA-N 1 1 365.817 3.193 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[N@H+](CCc1ccns1)[C@H]1CC[C@H](O)CC1 ZINC000930810859 760702604 /nfs/dbraw/zinc/70/26/04/760702604.db2.gz UHQAVPWBBCRUSD-WKILWMFISA-N 1 1 361.467 3.400 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(CO)(C(F)(F)F)CC1 ZINC000932824279 761254224 /nfs/dbraw/zinc/25/42/24/761254224.db2.gz AJMODYQDDHHULW-UHFFFAOYSA-N 1 1 362.348 3.130 20 5 FGBDMO CC[N@@H+]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)sc2C1 ZINC000021295110 220356295 /nfs/dbraw/zinc/35/62/95/220356295.db2.gz AECIQPDRUVNQGP-UHFFFAOYSA-N 1 1 366.830 3.335 20 5 FGBDMO CC[N@H+]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)sc2C1 ZINC000021295110 220356299 /nfs/dbraw/zinc/35/62/99/220356299.db2.gz AECIQPDRUVNQGP-UHFFFAOYSA-N 1 1 366.830 3.335 20 5 FGBDMO C[C@@H](c1cccnc1)[NH+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000297106230 257381267 /nfs/dbraw/zinc/38/12/67/257381267.db2.gz LMEAMEXIWNXRGM-HNNXBMFYSA-N 1 1 363.421 3.421 20 5 FGBDMO CCN(C[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1)CC(F)(F)F ZINC000081558514 493915401 /nfs/dbraw/zinc/91/54/01/493915401.db2.gz HXXVSQQZDNVYHQ-NSHDSACASA-N 1 1 351.394 3.362 20 5 FGBDMO CCN(C[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1)CC(F)(F)F ZINC000081558514 493915405 /nfs/dbraw/zinc/91/54/05/493915405.db2.gz HXXVSQQZDNVYHQ-NSHDSACASA-N 1 1 351.394 3.362 20 5 FGBDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)nc1 ZINC000080926591 493793605 /nfs/dbraw/zinc/79/36/05/493793605.db2.gz FEGNDNLQNNRRML-MRXNPFEDSA-N 1 1 354.410 3.149 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000080960867 493800028 /nfs/dbraw/zinc/80/00/28/493800028.db2.gz NXPXPJBZHUFWCQ-OCCSQVGLSA-N 1 1 368.397 3.309 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1F 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495298952 /nfs/dbraw/zinc/29/89/52/495298952.db2.gz UNOQCSKILAHOHI-AWEZNQCLSA-N 1 1 357.410 3.105 20 5 FGBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCCC[C@@H]2CCCc2ccccc2)c1 ZINC000124968186 495371642 /nfs/dbraw/zinc/37/16/42/495371642.db2.gz XWEQITXAGQAWPZ-QUCCMNQESA-N 1 1 372.469 3.030 20 5 FGBDMO C[N@@H+](CCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CCCC1 ZINC000120634361 495423321 /nfs/dbraw/zinc/42/33/21/495423321.db2.gz SELCZJXLELRLPQ-UHFFFAOYSA-N 1 1 360.458 3.143 20 5 FGBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000120705458 495439441 /nfs/dbraw/zinc/43/94/41/495439441.db2.gz JUKBGZSIJONDEC-RZRUPYEKSA-N 1 1 351.834 3.060 20 5 FGBDMO CC(C)Oc1cccc(C[N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000120715647 495441291 /nfs/dbraw/zinc/44/12/91/495441291.db2.gz XOZKQONALLVAMN-UHFFFAOYSA-N 1 1 371.437 3.477 20 5 FGBDMO CC(C)Oc1cccc(C[N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000120715647 495441292 /nfs/dbraw/zinc/44/12/92/495441292.db2.gz XOZKQONALLVAMN-UHFFFAOYSA-N 1 1 371.437 3.477 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000138395661 495461159 /nfs/dbraw/zinc/46/11/59/495461159.db2.gz NBTQBIPWSWXNPL-AWEZNQCLSA-N 1 1 357.410 3.110 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CC[C@@H](CN4CCOCC4)C3)o2)c1 ZINC000131005069 495477979 /nfs/dbraw/zinc/47/79/79/495477979.db2.gz CDNWASAZFGSDGT-INIZCTEOSA-N 1 1 371.437 3.009 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000139822451 495483472 /nfs/dbraw/zinc/48/34/72/495483472.db2.gz RGXLBYSZGOYWOS-FRFSOERESA-N 1 1 371.441 3.122 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000143393128 495532940 /nfs/dbraw/zinc/53/29/40/495532940.db2.gz ZISYGHUWKATCCC-UHFFFAOYSA-N 1 1 356.426 3.249 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000143393128 495532945 /nfs/dbraw/zinc/53/29/45/495532945.db2.gz ZISYGHUWKATCCC-UHFFFAOYSA-N 1 1 356.426 3.249 20 5 FGBDMO COc1cccc(CCC[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000173470140 495544878 /nfs/dbraw/zinc/54/48/78/495544878.db2.gz CGXUFEANSORODN-MRXNPFEDSA-N 1 1 356.426 3.117 20 5 FGBDMO COc1ccc(OCC[N@@H+]2CC=C(c3ccc(O)cc3)CC2)c([N+](=O)[O-])c1 ZINC000173476799 495548504 /nfs/dbraw/zinc/54/85/04/495548504.db2.gz UYVVLTMHURQBPY-UHFFFAOYSA-N 1 1 370.405 3.477 20 5 FGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000170689452 495567194 /nfs/dbraw/zinc/56/71/94/495567194.db2.gz SGUSWFOACHHHDP-PBHICJAKSA-N 1 1 354.410 3.108 20 5 FGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000170689452 495567198 /nfs/dbraw/zinc/56/71/98/495567198.db2.gz SGUSWFOACHHHDP-PBHICJAKSA-N 1 1 354.410 3.108 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C[C@H](C)O)C1CCCCC1 ZINC000170691631 495567863 /nfs/dbraw/zinc/56/78/63/495567863.db2.gz RZKRLHMFJHBPSO-HNNXBMFYSA-N 1 1 363.458 3.247 20 5 FGBDMO COc1cc(C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000173597173 495605661 /nfs/dbraw/zinc/60/56/61/495605661.db2.gz YNWAJYRTXMMCED-OAHLLOKOSA-N 1 1 371.437 3.244 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000185539015 495614903 /nfs/dbraw/zinc/61/49/03/495614903.db2.gz YIMGAGPRXVXSLU-GJZGRUSLSA-N 1 1 365.449 3.322 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000154877156 495758239 /nfs/dbraw/zinc/75/82/39/495758239.db2.gz RQYNLCYQTNRAAI-QGZVFWFLSA-N 1 1 368.437 3.418 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000154877156 495758242 /nfs/dbraw/zinc/75/82/42/495758242.db2.gz RQYNLCYQTNRAAI-QGZVFWFLSA-N 1 1 368.437 3.418 20 5 FGBDMO CC[C@](C)([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1nc(C)cs1 ZINC000173951727 495761324 /nfs/dbraw/zinc/76/13/24/495761324.db2.gz FWRGRKRJKPGHFX-SFHVURJKSA-N 1 1 374.466 3.164 20 5 FGBDMO CCCC[N@@H+]1CCCC[C@H]1CNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000577841310 505802142 /nfs/dbraw/zinc/80/21/42/505802142.db2.gz HZHHELKWIKOGOB-INIZCTEOSA-N 1 1 362.474 3.168 20 5 FGBDMO CCCC[N@H+]1CCCC[C@H]1CNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000577841310 505802145 /nfs/dbraw/zinc/80/21/45/505802145.db2.gz HZHHELKWIKOGOB-INIZCTEOSA-N 1 1 362.474 3.168 20 5 FGBDMO CC[N@@H+](Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000179974973 495806826 /nfs/dbraw/zinc/80/68/26/495806826.db2.gz VGWWLTYSYSSOBB-CYBMUJFWSA-N 1 1 374.384 3.248 20 5 FGBDMO CC[N@H+](Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000179974973 495806828 /nfs/dbraw/zinc/80/68/28/495806828.db2.gz VGWWLTYSYSSOBB-CYBMUJFWSA-N 1 1 374.384 3.248 20 5 FGBDMO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc2c(c1)CCC(=O)N2 ZINC000179993910 495815006 /nfs/dbraw/zinc/81/50/06/495815006.db2.gz UFMABNIGXXFDLL-NSHDSACASA-N 1 1 366.377 3.472 20 5 FGBDMO COc1ccc(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000574582749 505807101 /nfs/dbraw/zinc/80/71/01/505807101.db2.gz MRVHXCAHAQAFQU-HNNXBMFYSA-N 1 1 355.394 3.064 20 5 FGBDMO Cc1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(C)c1 ZINC000155406962 495948383 /nfs/dbraw/zinc/94/83/83/495948383.db2.gz GTPZUDPZQGHVDK-UHFFFAOYSA-N 1 1 353.422 3.170 20 5 FGBDMO COc1cc(C[N@@H+](C)CC2CCOCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000155875455 496094787 /nfs/dbraw/zinc/09/47/87/496094787.db2.gz QVDXYTFZOSUTFE-UHFFFAOYSA-N 1 1 360.357 3.063 20 5 FGBDMO CC(C)(C)N1C[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1=O ZINC000177564274 496115030 /nfs/dbraw/zinc/11/50/30/496115030.db2.gz PUVAQUPOHQLJAC-ZDUSSCGKSA-N 1 1 374.466 3.207 20 5 FGBDMO Cc1ccc(C[NH+]2CCC(CCCN3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000180795082 496149305 /nfs/dbraw/zinc/14/93/05/496149305.db2.gz CJFIPKMREBXULW-UHFFFAOYSA-N 1 1 361.486 3.228 20 5 FGBDMO CC(=O)N1CC[C@@H](C[N@H+](C)Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000180823196 496160420 /nfs/dbraw/zinc/16/04/20/496160420.db2.gz HKYXRYKVKJGYKC-AWEZNQCLSA-N 1 1 374.466 3.019 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000174923155 496166630 /nfs/dbraw/zinc/16/66/30/496166630.db2.gz NCPOWJCGXJVBRU-GOSISDBHSA-N 1 1 367.449 3.497 20 5 FGBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000174963660 496184277 /nfs/dbraw/zinc/18/42/77/496184277.db2.gz NMXBTQLQNWTWMX-IBGZPJMESA-N 1 1 367.449 3.118 20 5 FGBDMO CC(C)[N@@H+](CCn1cnc2ccccc2c1=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000172245282 496225514 /nfs/dbraw/zinc/22/55/14/496225514.db2.gz FISHNOPWZWFFJC-UHFFFAOYSA-N 1 1 366.421 3.215 20 5 FGBDMO CCOC(=O)c1cc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000161907214 496261046 /nfs/dbraw/zinc/26/10/46/496261046.db2.gz ZSNSKBDBLDOKNP-RDTXWAMCSA-N 1 1 373.453 3.225 20 5 FGBDMO COc1ccc(-c2ccc(C[NH2+]Cc3cnn(C)c3C)o2)c([N+](=O)[O-])c1 ZINC000156604400 496290612 /nfs/dbraw/zinc/29/06/12/496290612.db2.gz LHZNWYOLDFAVPH-UHFFFAOYSA-N 1 1 356.382 3.195 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172437576 496297728 /nfs/dbraw/zinc/29/77/28/496297728.db2.gz NIJFYQBSQVUZSQ-UHFFFAOYSA-N 1 1 362.430 3.086 20 5 FGBDMO C[C@H](CCNC(=O)NCc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccccc1 ZINC000175349332 496349790 /nfs/dbraw/zinc/34/97/90/496349790.db2.gz GSNVTBUANNDBHJ-MRXNPFEDSA-N 1 1 370.453 3.305 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000175541450 496434131 /nfs/dbraw/zinc/43/41/31/496434131.db2.gz OOQITXWUHNOMOB-XJKSGUPXSA-N 1 1 360.414 3.159 20 5 FGBDMO Cc1csc([C@@H]([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000181600885 496464805 /nfs/dbraw/zinc/46/48/05/496464805.db2.gz GOIRUTQUVDIFTI-INIZCTEOSA-N 1 1 360.439 3.063 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@H](c4cccnc4)C3)n2)cc1 ZINC000574753258 505848663 /nfs/dbraw/zinc/84/86/63/505848663.db2.gz NJNRRNMJZPUZMC-HNNXBMFYSA-N 1 1 351.366 3.029 20 5 FGBDMO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000175734016 496521068 /nfs/dbraw/zinc/52/10/68/496521068.db2.gz DPDIIFJMTDLAAF-WMLDXEAASA-N 1 1 360.458 3.220 20 5 FGBDMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C2 ZINC000181791300 496546462 /nfs/dbraw/zinc/54/64/62/496546462.db2.gz VCAPQQFNAMQNDT-NWDGAFQWSA-N 1 1 372.347 3.314 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000153834406 496594601 /nfs/dbraw/zinc/59/46/01/496594601.db2.gz BDRMIKOSSSYJCP-QGZVFWFLSA-N 1 1 370.409 3.164 20 5 FGBDMO COc1cc(C(=O)N2CCC[N@H+](C3CCCC3)CC2)cc([N+](=O)[O-])c1C ZINC000187911548 496617258 /nfs/dbraw/zinc/61/72/58/496617258.db2.gz GWJZLJISNACXOK-UHFFFAOYSA-N 1 1 361.442 3.002 20 5 FGBDMO C[N@H+](Cc1ccccc1)C[C@@H](O)COc1c(Cl)cccc1[N+](=O)[O-] ZINC000153934961 496629284 /nfs/dbraw/zinc/62/92/84/496629284.db2.gz VBJHOJWTKRGRCF-CQSZACIVSA-N 1 1 350.802 3.120 20 5 FGBDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000187995622 496644466 /nfs/dbraw/zinc/64/44/66/496644466.db2.gz FZWQJBMDTIKVKG-QGZVFWFLSA-N 1 1 374.437 3.302 20 5 FGBDMO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000176040045 496655437 /nfs/dbraw/zinc/65/54/37/496655437.db2.gz RZRPJHVEMOBTOB-GOSISDBHSA-N 1 1 357.385 3.015 20 5 FGBDMO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000176040045 496655444 /nfs/dbraw/zinc/65/54/44/496655444.db2.gz RZRPJHVEMOBTOB-GOSISDBHSA-N 1 1 357.385 3.015 20 5 FGBDMO C[S@](=O)C[C@@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000182095995 496668049 /nfs/dbraw/zinc/66/80/49/496668049.db2.gz VLBKMWIEXHPZCG-CMJOXMDJSA-N 1 1 352.843 3.458 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C1Cc2ccccc2C1 ZINC000165936178 496673438 /nfs/dbraw/zinc/67/34/38/496673438.db2.gz NKDQEKZQWGCUGY-UHFFFAOYSA-N 1 1 353.422 3.331 20 5 FGBDMO Cc1cnn(-c2cc[nH+]cc2NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000185138209 496678027 /nfs/dbraw/zinc/67/80/27/496678027.db2.gz NLSHLGHNPHWWFM-LBPRGKRZSA-N 1 1 369.356 3.365 20 5 FGBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)cc1 ZINC000182177360 496698859 /nfs/dbraw/zinc/69/88/59/496698859.db2.gz IJJBTDGKQJSPNU-YOEHRIQHSA-N 1 1 352.456 3.023 20 5 FGBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]3CCCC[C@@H]32)cc1 ZINC000182177360 496698862 /nfs/dbraw/zinc/69/88/62/496698862.db2.gz IJJBTDGKQJSPNU-YOEHRIQHSA-N 1 1 352.456 3.023 20 5 FGBDMO Cc1ccc(Cl)c(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000182193970 496702421 /nfs/dbraw/zinc/70/24/21/496702421.db2.gz DODSVTLOBDNYTN-HNNXBMFYSA-N 1 1 364.829 3.428 20 5 FGBDMO Cc1ccc(Cl)c(OC[C@@H](O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000182193970 496702423 /nfs/dbraw/zinc/70/24/23/496702423.db2.gz DODSVTLOBDNYTN-HNNXBMFYSA-N 1 1 364.829 3.428 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccccc1F)C1CC1 ZINC000182199053 496704265 /nfs/dbraw/zinc/70/42/65/496704265.db2.gz ADSFNDAIIJYFIW-INIZCTEOSA-N 1 1 360.385 3.138 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)C1CC1 ZINC000185316550 496728221 /nfs/dbraw/zinc/72/82/21/496728221.db2.gz AEJLNYKMPRRBLH-OAHLLOKOSA-N 1 1 359.451 3.297 20 5 FGBDMO COc1cccc(C2CC[NH+](CC(=O)Nc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000194883762 496747186 /nfs/dbraw/zinc/74/71/86/496747186.db2.gz RUEKBFSAGOQGOK-UHFFFAOYSA-N 1 1 369.421 3.422 20 5 FGBDMO Cc1sc(C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000247312083 496831605 /nfs/dbraw/zinc/83/16/05/496831605.db2.gz WCNIZNHRXRMKAF-DOMZBBRYSA-N 1 1 374.466 3.000 20 5 FGBDMO O=[N+]([O-])c1ccc(Cc2noc([C@H]3CCC[N@@H+]3Cc3ccccc3)n2)nc1 ZINC000273919980 496956888 /nfs/dbraw/zinc/95/68/88/496956888.db2.gz LDPDGHHPZZOEJQ-QGZVFWFLSA-N 1 1 365.393 3.301 20 5 FGBDMO O=[N+]([O-])c1ccc(Cc2noc([C@H]3CCC[N@H+]3Cc3ccccc3)n2)nc1 ZINC000273919980 496956895 /nfs/dbraw/zinc/95/68/95/496956895.db2.gz LDPDGHHPZZOEJQ-QGZVFWFLSA-N 1 1 365.393 3.301 20 5 FGBDMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000248165381 496966823 /nfs/dbraw/zinc/96/68/23/496966823.db2.gz SVUYBTVJEULZDC-SMDDNHRTSA-N 1 1 352.822 3.196 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000248376128 496987158 /nfs/dbraw/zinc/98/71/58/496987158.db2.gz ZOYOZBMBYKIAHD-IRXDYDNUSA-N 1 1 360.385 3.311 20 5 FGBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000278197078 497034524 /nfs/dbraw/zinc/03/45/24/497034524.db2.gz UZNPVIAVWGXINA-UHFFFAOYSA-N 1 1 355.394 3.290 20 5 FGBDMO Cc1c(CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000248870481 497121905 /nfs/dbraw/zinc/12/19/05/497121905.db2.gz QLMHFGPDPKJFHT-DNVCBOLYSA-N 1 1 367.449 3.082 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000278461277 497123640 /nfs/dbraw/zinc/12/36/40/497123640.db2.gz HIUSSHQDFVRCNU-TZMCWYRMSA-N 1 1 351.834 3.113 20 5 FGBDMO CC[C@@H]([NH2+]Cc1c(Br)cnn1C)c1cccc([N+](=O)[O-])c1 ZINC000278549832 497150808 /nfs/dbraw/zinc/15/08/08/497150808.db2.gz UZSKFGYFJORPQZ-CYBMUJFWSA-N 1 1 353.220 3.332 20 5 FGBDMO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000274744512 497156933 /nfs/dbraw/zinc/15/69/33/497156933.db2.gz YZQDAWIXIUETHM-UHFFFAOYSA-N 1 1 369.421 3.037 20 5 FGBDMO COc1cc(C[N@H+]2CCCC3(CCOCC3)C2)c([N+](=O)[O-])cc1OC ZINC000271197302 497288278 /nfs/dbraw/zinc/28/82/78/497288278.db2.gz RWRYDFZSSOFNNO-UHFFFAOYSA-N 1 1 350.415 3.005 20 5 FGBDMO C[N@@H+]1CCCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 ZINC000275485096 497341526 /nfs/dbraw/zinc/34/15/26/497341526.db2.gz NXVKLMFMXPBYMG-UHFFFAOYSA-N 1 1 371.387 3.150 20 5 FGBDMO C[N@H+]1CCCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 ZINC000275485096 497341528 /nfs/dbraw/zinc/34/15/28/497341528.db2.gz NXVKLMFMXPBYMG-UHFFFAOYSA-N 1 1 371.387 3.150 20 5 FGBDMO Cc1cc(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2Cl)cc([N+](=O)[O-])c1 ZINC000261974913 497486178 /nfs/dbraw/zinc/48/61/78/497486178.db2.gz NODNHJPWLGPEKS-QGZVFWFLSA-N 1 1 359.813 3.343 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000245904573 497565804 /nfs/dbraw/zinc/56/58/04/497565804.db2.gz SUIDXSJOLMITRE-ZFWWWQNUSA-N 1 1 363.483 3.404 20 5 FGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000245910441 497568255 /nfs/dbraw/zinc/56/82/55/497568255.db2.gz WBMZHUMHYFMCOP-OIISXLGYSA-N 1 1 360.458 3.232 20 5 FGBDMO CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000575077772 505915375 /nfs/dbraw/zinc/91/53/75/505915375.db2.gz OTBCHSOFYQOYTM-SFHVURJKSA-N 1 1 361.417 3.095 20 5 FGBDMO O=C1[C@@H]([N@@H+]2CCC[C@@H](c3nccs3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000245998259 497593755 /nfs/dbraw/zinc/59/37/55/497593755.db2.gz CHZFNEWJFUYMMI-CJNGLKHVSA-N 1 1 372.450 3.036 20 5 FGBDMO O=C1[C@@H]([N@H+]2CCC[C@@H](c3nccs3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000245998259 497593756 /nfs/dbraw/zinc/59/37/56/497593756.db2.gz CHZFNEWJFUYMMI-CJNGLKHVSA-N 1 1 372.450 3.036 20 5 FGBDMO Cc1ccc(N2CCC(C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)CC2)[nH+]c1 ZINC000194176948 497594002 /nfs/dbraw/zinc/59/40/02/497594002.db2.gz KMALLIUUYZZSLC-OAHLLOKOSA-N 1 1 368.437 3.392 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000272329293 497598502 /nfs/dbraw/zinc/59/85/02/497598502.db2.gz MSZFMZYIEZPGDX-UHOFOFEASA-N 1 1 374.441 3.435 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000276670565 497624659 /nfs/dbraw/zinc/62/46/59/497624659.db2.gz ZHOZCQJLLAVPQK-ZDUSSCGKSA-N 1 1 353.850 3.407 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]CCCc1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000272509063 497647667 /nfs/dbraw/zinc/64/76/67/497647667.db2.gz IODQZAJRNLNYAK-GOSISDBHSA-N 1 1 351.410 3.035 20 5 FGBDMO CCCc1[nH]nc(C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)c1[N+](=O)[O-] ZINC000280188764 497675714 /nfs/dbraw/zinc/67/57/14/497675714.db2.gz LZPLJGJBQRAWGW-UHFFFAOYSA-N 1 1 365.821 3.238 20 5 FGBDMO Cc1ccc(NCCCNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)[nH+]c1 ZINC000194475685 497679572 /nfs/dbraw/zinc/67/95/72/497679572.db2.gz PLDUAWWIBYMXND-AWEZNQCLSA-N 1 1 357.414 3.161 20 5 FGBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000268114350 497680869 /nfs/dbraw/zinc/68/08/69/497680869.db2.gz JVICTXGWFXOTRE-SJKOYZFVSA-N 1 1 358.467 3.291 20 5 FGBDMO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000268114350 497680872 /nfs/dbraw/zinc/68/08/72/497680872.db2.gz JVICTXGWFXOTRE-SJKOYZFVSA-N 1 1 358.467 3.291 20 5 FGBDMO CCOc1cc(C[NH2+][C@H](C[S@@](C)=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000276950698 497697640 /nfs/dbraw/zinc/69/76/40/497697640.db2.gz UEWDRPIQWKJSDG-PUAOIOHZSA-N 1 1 362.451 3.203 20 5 FGBDMO CC(C)C[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000268227825 497705905 /nfs/dbraw/zinc/70/59/05/497705905.db2.gz LDSPTUQVEGHFBE-MRXNPFEDSA-N 1 1 374.485 3.221 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000246941405 497821272 /nfs/dbraw/zinc/82/12/72/497821272.db2.gz IUBNWLXTCODFRD-KBXCAEBGSA-N 1 1 369.425 3.022 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@]4(O)CCCC[C@H]4C3)o2)c1 ZINC000246939761 497821387 /nfs/dbraw/zinc/82/13/87/497821387.db2.gz NNJLDYVRBIYDPJ-OXJNMPFZSA-N 1 1 371.437 3.419 20 5 FGBDMO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000581217480 505935578 /nfs/dbraw/zinc/93/55/78/505935578.db2.gz JFXRCLZPHTXVLG-QAPCUYQASA-N 1 1 371.437 3.150 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000295903146 497847963 /nfs/dbraw/zinc/84/79/63/497847963.db2.gz DFNYCMVBSBEAPL-IUODEOHRSA-N 1 1 360.414 3.189 20 5 FGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000581218216 505935867 /nfs/dbraw/zinc/93/58/67/505935867.db2.gz OULHDOLXNWRMNL-SOKLDJIMSA-N 1 1 358.360 3.491 20 5 FGBDMO CC(C)(CCC(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1)[N+](=O)[O-] ZINC000295908586 497850672 /nfs/dbraw/zinc/85/06/72/497850672.db2.gz DPEQNNOOLJLNFY-MRXNPFEDSA-N 1 1 359.426 3.062 20 5 FGBDMO Cc1cc([C@H]2CCC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)[nH]n1 ZINC000364419328 497947070 /nfs/dbraw/zinc/94/70/70/497947070.db2.gz JBPQSEYGRVMPNM-HNNXBMFYSA-N 1 1 371.441 3.143 20 5 FGBDMO Cc1cc([C@H]2CCC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)n[nH]1 ZINC000364419328 497947077 /nfs/dbraw/zinc/94/70/77/497947077.db2.gz JBPQSEYGRVMPNM-HNNXBMFYSA-N 1 1 371.441 3.143 20 5 FGBDMO Cc1cc([C@H]2CCC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)n[nH]1 ZINC000364419328 497947084 /nfs/dbraw/zinc/94/70/84/497947084.db2.gz JBPQSEYGRVMPNM-HNNXBMFYSA-N 1 1 371.441 3.143 20 5 FGBDMO C[C@@H](NC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000292307094 497963272 /nfs/dbraw/zinc/96/32/72/497963272.db2.gz NEIPPCCLZPISBQ-HUUCEWRRSA-N 1 1 360.458 3.172 20 5 FGBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000285281823 498041580 /nfs/dbraw/zinc/04/15/80/498041580.db2.gz JNWIYFMSIRQSPO-UHFFFAOYSA-N 1 1 373.365 3.044 20 5 FGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000285281823 498041587 /nfs/dbraw/zinc/04/15/87/498041587.db2.gz JNWIYFMSIRQSPO-UHFFFAOYSA-N 1 1 373.365 3.044 20 5 FGBDMO C[C@H](CCc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000296593454 498112088 /nfs/dbraw/zinc/11/20/88/498112088.db2.gz VBVMBNRBLLIQCZ-SOLBZPMBSA-N 1 1 367.449 3.197 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000289440987 498147293 /nfs/dbraw/zinc/14/72/93/498147293.db2.gz DTSBFRCFFIBMRP-MJGOQNOKSA-N 1 1 373.453 3.265 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC000289446777 498150595 /nfs/dbraw/zinc/15/05/95/498150595.db2.gz KRTKDPTZLZWGSU-OLZOCXBDSA-N 1 1 373.375 3.355 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@H]2[C@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000572517393 505988212 /nfs/dbraw/zinc/98/82/12/505988212.db2.gz QAIXQWRLZOQNST-YJBOKZPZSA-N 1 1 361.442 3.123 20 5 FGBDMO CC(C)(C)[C@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1O ZINC000330853379 498205927 /nfs/dbraw/zinc/20/59/27/498205927.db2.gz MOXHSJBJLFOLIC-DLBZAZTESA-N 1 1 359.426 3.479 20 5 FGBDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1O ZINC000330853379 498205934 /nfs/dbraw/zinc/20/59/34/498205934.db2.gz MOXHSJBJLFOLIC-DLBZAZTESA-N 1 1 359.426 3.479 20 5 FGBDMO Cn1cc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c(-c2ccncc2)n1 ZINC000289588223 498206855 /nfs/dbraw/zinc/20/68/55/498206855.db2.gz UJONASJIICPYOP-UHFFFAOYSA-N 1 1 351.410 3.065 20 5 FGBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000301728872 498241857 /nfs/dbraw/zinc/24/18/57/498241857.db2.gz RKLLADXUGBLNAQ-WCQYABFASA-N 1 1 354.248 3.278 20 5 FGBDMO O=[N+]([O-])c1cncc(Br)c1N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000301901141 498319581 /nfs/dbraw/zinc/31/95/81/498319581.db2.gz VKDGRNJCXKXGBH-GFCCVEGCSA-N 1 1 369.263 3.429 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000282032884 498365801 /nfs/dbraw/zinc/36/58/01/498365801.db2.gz TXTYJBBPLHOMIY-CZUORRHYSA-N 1 1 364.446 3.188 20 5 FGBDMO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@@H](O)Cc1ccccc1 ZINC000293389233 498368777 /nfs/dbraw/zinc/36/87/77/498368777.db2.gz QGZXLFJEPPJXLL-IBGZPJMESA-N 1 1 367.405 3.285 20 5 FGBDMO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@@H](O)Cc1ccccc1 ZINC000293389233 498368782 /nfs/dbraw/zinc/36/87/82/498368782.db2.gz QGZXLFJEPPJXLL-IBGZPJMESA-N 1 1 367.405 3.285 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293408644 498373545 /nfs/dbraw/zinc/37/35/45/498373545.db2.gz HZLURUAAVCXZIR-LLVKDONJSA-N 1 1 359.348 3.218 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000289969537 498374869 /nfs/dbraw/zinc/37/48/69/498374869.db2.gz XEWHQOKPUXOSRP-AEFFLSMTSA-N 1 1 361.442 3.121 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)c1 ZINC000302056950 498388910 /nfs/dbraw/zinc/38/89/10/498388910.db2.gz RBLOVBCLKWFMRY-SFHVURJKSA-N 1 1 355.438 3.472 20 5 FGBDMO Cc1cc[nH+]c(N2CCN(c3ccc([N+](=O)[O-])cc3OC(F)F)CC2)c1 ZINC000302212781 498445999 /nfs/dbraw/zinc/44/59/99/498445999.db2.gz HKVICFCPYQPOFS-UHFFFAOYSA-N 1 1 364.352 3.226 20 5 FGBDMO CCOC1(C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000293802082 498493832 /nfs/dbraw/zinc/49/38/32/498493832.db2.gz VDLPCFMNDOMNGH-QGZVFWFLSA-N 1 1 358.442 3.357 20 5 FGBDMO O=C1C[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CN1 ZINC000362337622 498499962 /nfs/dbraw/zinc/49/99/62/498499962.db2.gz XGYNXGGIJNFJNU-YOEHRIQHSA-N 1 1 369.421 3.345 20 5 FGBDMO C[C@@H](C(=O)Nc1cccnc1Cl)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282542397 498551775 /nfs/dbraw/zinc/55/17/75/498551775.db2.gz WGIWYASVROKHKN-LBPRGKRZSA-N 1 1 362.817 3.145 20 5 FGBDMO C[C@@H](C(=O)Nc1cccnc1Cl)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282542397 498551782 /nfs/dbraw/zinc/55/17/82/498551782.db2.gz WGIWYASVROKHKN-LBPRGKRZSA-N 1 1 362.817 3.145 20 5 FGBDMO Cc1cc[nH+]c(N2CCN(C(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)CC2)c1 ZINC000332395923 498675018 /nfs/dbraw/zinc/67/50/18/498675018.db2.gz PCBCLLTUISAGQL-UHFFFAOYSA-N 1 1 368.437 3.186 20 5 FGBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000363156389 498678752 /nfs/dbraw/zinc/67/87/52/498678752.db2.gz KHKHHSPCEDSRPO-HIFRSBDPSA-N 1 1 372.450 3.075 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@@H]1CN(c2ccccc2)CCO1)C1CC1 ZINC000572896064 506077842 /nfs/dbraw/zinc/07/78/42/506077842.db2.gz JFHUKZPGBNFKMV-FQEVSTJZSA-N 1 1 367.449 3.465 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@@H]1CN(c2ccccc2)CCO1)C1CC1 ZINC000572896064 506077845 /nfs/dbraw/zinc/07/78/45/506077845.db2.gz JFHUKZPGBNFKMV-FQEVSTJZSA-N 1 1 367.449 3.465 20 5 FGBDMO C[C@@H]1CCCN(c2ccc(C(=O)N[C@H]3CC[N@@H+](C)[C@H](C)C3)cc2[N+](=O)[O-])C1 ZINC000332563670 498727611 /nfs/dbraw/zinc/72/76/11/498727611.db2.gz WHMISLWHCOVDOG-INMHGKMJSA-N 1 1 374.485 3.044 20 5 FGBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000332596624 498735640 /nfs/dbraw/zinc/73/56/40/498735640.db2.gz GVVYROWQQYMGDT-QWHCGFSZSA-N 1 1 371.359 3.312 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCC(c4ccncn4)CC3)co2)cc1 ZINC000298372107 498748264 /nfs/dbraw/zinc/74/82/64/498748264.db2.gz NQJCWCHNNUSUBL-UHFFFAOYSA-N 1 1 365.393 3.419 20 5 FGBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000332651823 498754240 /nfs/dbraw/zinc/75/42/40/498754240.db2.gz UTOWKQHTWZASQD-UONOGXRCSA-N 1 1 351.834 3.255 20 5 FGBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@@H]2[C@@H]1c1ccccc1 ZINC000363562077 498880129 /nfs/dbraw/zinc/88/01/29/498880129.db2.gz IFCAEJIQZKMZFI-LJHODMEESA-N 1 1 369.396 3.109 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@H](O)CC(C)(C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000295237062 498952370 /nfs/dbraw/zinc/95/23/70/498952370.db2.gz OPAAQPWFZOLNCV-LBPRGKRZSA-N 1 1 374.384 3.188 20 5 FGBDMO C[N@@H+](CCC(=O)Nc1cc(F)cc(F)c1)CCc1cccc([N+](=O)[O-])c1 ZINC000576293829 506123091 /nfs/dbraw/zinc/12/30/91/506123091.db2.gz VHBHMLFWVHVDHP-UHFFFAOYSA-N 1 1 363.364 3.376 20 5 FGBDMO O=C(c1csc([N+](=O)[O-])c1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000299339403 499029388 /nfs/dbraw/zinc/02/93/88/499029388.db2.gz MAJBCXGERFUXKI-UHFFFAOYSA-N 1 1 371.462 3.319 20 5 FGBDMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000299339118 499029468 /nfs/dbraw/zinc/02/94/68/499029468.db2.gz JLBQTOANESOICV-MRXNPFEDSA-N 1 1 361.373 3.284 20 5 FGBDMO C[C@H](C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000570269720 506129338 /nfs/dbraw/zinc/12/93/38/506129338.db2.gz FAMADWPCFMVTET-OXJNMPFZSA-N 1 1 367.449 3.479 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@H](C)C1 ZINC000284197320 499067002 /nfs/dbraw/zinc/06/70/02/499067002.db2.gz YQHHGAZPRUQBTO-YPMHNXCESA-N 1 1 354.838 3.442 20 5 FGBDMO C[N@@H+]1CC[C@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000366798258 499077565 /nfs/dbraw/zinc/07/75/65/499077565.db2.gz YZZUPGUYSJLUFU-RDJZCZTQSA-N 1 1 361.348 3.048 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000366798258 499077569 /nfs/dbraw/zinc/07/75/69/499077569.db2.gz YZZUPGUYSJLUFU-RDJZCZTQSA-N 1 1 361.348 3.048 20 5 FGBDMO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000372712207 499165100 /nfs/dbraw/zinc/16/51/00/499165100.db2.gz FNSORKYHVHOFBG-GOSISDBHSA-N 1 1 355.373 3.047 20 5 FGBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000372712207 499165101 /nfs/dbraw/zinc/16/51/01/499165101.db2.gz FNSORKYHVHOFBG-GOSISDBHSA-N 1 1 355.373 3.047 20 5 FGBDMO Cc1cc(N2CCC([N@@H+](C)Cc3ccc([N+](=O)[O-])c(F)c3)CC2)nc(C)n1 ZINC000367299586 499176238 /nfs/dbraw/zinc/17/62/38/499176238.db2.gz PTIHAUUDPIBLIP-UHFFFAOYSA-N 1 1 373.432 3.242 20 5 FGBDMO Cc1ncc(C[N@H+]2CC[C@H](Nc3ccc(N)cc3[N+](=O)[O-])[C@H](C)C2)s1 ZINC000367349736 499186409 /nfs/dbraw/zinc/18/64/09/499186409.db2.gz UWCQATIJVUYCBR-ABAIWWIYSA-N 1 1 361.471 3.264 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c2c(c1)COCO2 ZINC000367402234 499195037 /nfs/dbraw/zinc/19/50/37/499195037.db2.gz JIXBXVJHXUWJHN-CABCVRRESA-N 1 1 362.426 3.100 20 5 FGBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cscc3Br)CC2)n1 ZINC000368034961 499257715 /nfs/dbraw/zinc/25/77/15/499257715.db2.gz DJXUWXCEUROOCK-UHFFFAOYSA-N 1 1 371.260 3.452 20 5 FGBDMO C[N@H+]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000368059478 499260579 /nfs/dbraw/zinc/26/05/79/499260579.db2.gz RFDHFCCEIIBJDD-FUHWJXTLSA-N 1 1 356.382 3.038 20 5 FGBDMO C[C@H]1CCC[N@H+]1C1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000371140834 499292812 /nfs/dbraw/zinc/29/28/12/499292812.db2.gz ZMVHVHPFHNPCRX-AWEZNQCLSA-N 1 1 370.453 3.094 20 5 FGBDMO Cn1cc([C@@H](O)C[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000371464101 499330357 /nfs/dbraw/zinc/33/03/57/499330357.db2.gz OPYBTAMDJOGKNH-RDJZCZTQSA-N 1 1 364.833 3.070 20 5 FGBDMO CC(=O)NCc1ccc([C@H]2CCC[N@H+]2Cc2cccc([N+](=O)[O-])c2C)o1 ZINC000368782591 499332229 /nfs/dbraw/zinc/33/22/29/499332229.db2.gz CPAOCHZXNNUOLJ-GOSISDBHSA-N 1 1 357.410 3.469 20 5 FGBDMO COCCn1ncc2c1[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)CCC2 ZINC000368843266 499338687 /nfs/dbraw/zinc/33/86/87/499338687.db2.gz PDJGALSEZQSFPH-INIZCTEOSA-N 1 1 364.833 3.258 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCOCC4(CCC4)C3)o2)c1 ZINC000368856546 499340376 /nfs/dbraw/zinc/34/03/76/499340376.db2.gz PMKIMYIKDMKQOU-UHFFFAOYSA-N 1 1 357.410 3.295 20 5 FGBDMO Cc1cc(C[NH+]2CCC(N(C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)on1 ZINC000368960698 499350964 /nfs/dbraw/zinc/35/09/64/499350964.db2.gz QCSWOVUTUHONJQ-UHFFFAOYSA-N 1 1 373.413 3.020 20 5 FGBDMO Cc1c[nH+]cn1C1CCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000369099856 499365482 /nfs/dbraw/zinc/36/54/82/499365482.db2.gz KGWZMKCKMFYXHK-CYBMUJFWSA-N 1 1 360.389 3.206 20 5 FGBDMO COc1cc(C(=O)N2CCC[C@@H]2CNc2cccc(C)[nH+]2)ccc1[N+](=O)[O-] ZINC000369496499 499409118 /nfs/dbraw/zinc/40/91/18/499409118.db2.gz MGWKQRDBDIUILT-OAHLLOKOSA-N 1 1 370.409 3.024 20 5 FGBDMO C[N@H+]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccs1 ZINC000369539347 499414481 /nfs/dbraw/zinc/41/44/81/499414481.db2.gz IAJKELAVCVECIQ-MLGOLLRUSA-N 1 1 360.439 3.471 20 5 FGBDMO CNC(=O)c1ccc(NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000369562157 499418079 /nfs/dbraw/zinc/41/80/79/499418079.db2.gz XQMFBFNXKIYDSW-SUMWQHHRSA-N 1 1 374.466 3.121 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000369569012 499419661 /nfs/dbraw/zinc/41/96/61/499419661.db2.gz MRUWZXYFXLOUSX-SUMWQHHRSA-N 1 1 359.451 3.388 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000369569011 499419770 /nfs/dbraw/zinc/41/97/70/499419770.db2.gz MRUWZXYFXLOUSX-GUYCJALGSA-N 1 1 359.451 3.388 20 5 FGBDMO C[C@H](C(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000373258155 499460198 /nfs/dbraw/zinc/46/01/98/499460198.db2.gz GSILMLAKNKYSBD-KGLIPLIRSA-N 1 1 363.433 3.313 20 5 FGBDMO COCCn1cc2c(n1)[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)CCC2 ZINC000375195334 499494333 /nfs/dbraw/zinc/49/43/33/499494333.db2.gz CQNWABIFRQLZQB-RHSMWYFYSA-N 1 1 358.442 3.474 20 5 FGBDMO COC(=O)c1cc(NCc2[nH+]c(C)n3c2CCCC3)cc(C)c1[N+](=O)[O-] ZINC000378407617 499513091 /nfs/dbraw/zinc/51/30/91/499513091.db2.gz YGULXGOGKMIKIK-UHFFFAOYSA-N 1 1 358.398 3.143 20 5 FGBDMO O=C(NCc1c[nH+]c2n1CCCC2)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000375392874 499513161 /nfs/dbraw/zinc/51/31/61/499513161.db2.gz RDAAOGJPNNXFKW-UHFFFAOYSA-N 1 1 368.315 3.076 20 5 FGBDMO Cc1ccncc1C1=CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000378441270 499517170 /nfs/dbraw/zinc/51/71/70/499517170.db2.gz IAXRQSVIFYIXIN-UHFFFAOYSA-N 1 1 366.421 3.416 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](O)c2ccccc2C1 ZINC000375823428 499559162 /nfs/dbraw/zinc/55/91/62/499559162.db2.gz JRDZAXNVDZFBDT-IBGZPJMESA-N 1 1 369.421 3.171 20 5 FGBDMO CNc1ccc(C(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000398015635 499566268 /nfs/dbraw/zinc/56/62/68/499566268.db2.gz WFDKQBQYSSEZAJ-PBHICJAKSA-N 1 1 368.437 3.029 20 5 FGBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398168302 499566981 /nfs/dbraw/zinc/56/69/81/499566981.db2.gz UEXBJTQKNDFWCT-YOEHRIQHSA-N 1 1 357.458 3.442 20 5 FGBDMO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000573237590 506150475 /nfs/dbraw/zinc/15/04/75/506150475.db2.gz QXYWGZPUGTXXBW-CRAIPNDOSA-N 1 1 353.422 3.296 20 5 FGBDMO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000408276803 499582967 /nfs/dbraw/zinc/58/29/67/499582967.db2.gz LKLYRRAZCDLSFC-SJKOYZFVSA-N 1 1 362.405 3.215 20 5 FGBDMO C[C@H]1OCC[C@]1(O)C[N@@H+](Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000573249387 506152968 /nfs/dbraw/zinc/15/29/68/506152968.db2.gz HRLXSTRXNDXJEX-UZLBHIALSA-N 1 1 356.422 3.137 20 5 FGBDMO CC(C)[C@]1(CO)CC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000377668970 499717665 /nfs/dbraw/zinc/71/76/65/499717665.db2.gz GKXWGUQFIWTZBH-OAHLLOKOSA-N 1 1 357.248 3.198 20 5 FGBDMO CC(C)[C@]1(CO)CC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000377668970 499717667 /nfs/dbraw/zinc/71/76/67/499717667.db2.gz GKXWGUQFIWTZBH-OAHLLOKOSA-N 1 1 357.248 3.198 20 5 FGBDMO O=C1C[C@@]2(CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)Oc2ccccc21 ZINC000411976927 499808572 /nfs/dbraw/zinc/80/85/72/499808572.db2.gz FJHIZEMFZBWXLB-HXUWFJFHSA-N 1 1 352.390 3.247 20 5 FGBDMO COc1ccc(-c2ccc(CN3CC[C@H](C)[C@@H](C[NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000415123739 499866734 /nfs/dbraw/zinc/86/67/34/499866734.db2.gz JOOSXNRBHGMQOI-KBPBESRZSA-N 1 1 359.426 3.280 20 5 FGBDMO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3ccccc3)CC2)c(C(F)(F)F)c1 ZINC000413026719 499904950 /nfs/dbraw/zinc/90/49/50/499904950.db2.gz VUWOJXYIJKBAKK-UHFFFAOYSA-N 1 1 366.343 3.331 20 5 FGBDMO C[C@@H]1C[N@H+](Cc2ccc(CNc3ncc([N+](=O)[O-])cc3F)cc2)C[C@H](C)O1 ZINC000413086134 499911693 /nfs/dbraw/zinc/91/16/93/499911693.db2.gz CBBPOYDIUBFPLA-OKILXGFUSA-N 1 1 374.416 3.350 20 5 FGBDMO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC[N@H+](C2CCC2)C1 ZINC000413303307 499939427 /nfs/dbraw/zinc/93/94/27/499939427.db2.gz NVAXQMFSAGJBME-NSHDSACASA-N 1 1 358.364 3.319 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000421438407 500048304 /nfs/dbraw/zinc/04/83/04/500048304.db2.gz ZZTCTGXFHGFYLT-AWEZNQCLSA-N 1 1 373.478 3.450 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000421438407 500048306 /nfs/dbraw/zinc/04/83/06/500048306.db2.gz ZZTCTGXFHGFYLT-AWEZNQCLSA-N 1 1 373.478 3.450 20 5 FGBDMO CCO[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1(C)C ZINC000579438062 506173735 /nfs/dbraw/zinc/17/37/35/506173735.db2.gz ZRRGNTYHGREBLS-IRXDYDNUSA-N 1 1 363.458 3.367 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000425413526 500097438 /nfs/dbraw/zinc/09/74/38/500097438.db2.gz BPPWAOAUYIRYJV-DGCLKSJQSA-N 1 1 355.232 3.216 20 5 FGBDMO Cc1cccc2c1C[N@@H+]([C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)CC2 ZINC000429571682 500105718 /nfs/dbraw/zinc/10/57/18/500105718.db2.gz ZRNCDWISJQQSIR-IBGZPJMESA-N 1 1 351.406 3.067 20 5 FGBDMO Cc1cccc2c1C[N@H+]([C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)CC2 ZINC000429571682 500105725 /nfs/dbraw/zinc/10/57/25/500105725.db2.gz ZRNCDWISJQQSIR-IBGZPJMESA-N 1 1 351.406 3.067 20 5 FGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425966623 500217559 /nfs/dbraw/zinc/21/75/59/500217559.db2.gz LJIIBPAOHVEFBP-UWJYYQICSA-N 1 1 369.465 3.225 20 5 FGBDMO Cc1cc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)nc(N2CCCC2)n1 ZINC000426285393 500256307 /nfs/dbraw/zinc/25/63/07/500256307.db2.gz BCKIKWYDACWALO-HNNXBMFYSA-N 1 1 355.442 3.453 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+]3CC[C@](O)(C4CC4)C3)o2)c([N+](=O)[O-])c1 ZINC000426533648 500286124 /nfs/dbraw/zinc/28/61/24/500286124.db2.gz SHBKVBIRJNVOJQ-LJQANCHMSA-N 1 1 358.394 3.210 20 5 FGBDMO Cc1ccc(C[N@@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000430876040 500300271 /nfs/dbraw/zinc/30/02/71/500300271.db2.gz PTNAWPDBEJGOHI-QGZVFWFLSA-N 1 1 353.422 3.388 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2nc(CN3CCC4(CC[NH2+]C4)CC3)cs2)c1 ZINC000430913419 500305809 /nfs/dbraw/zinc/30/58/09/500305809.db2.gz UYCHPWGSHINLRS-UHFFFAOYSA-N 1 1 358.467 3.294 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCSC[C@@H]3C3CCC3)o2)cc1 ZINC000419366829 500357850 /nfs/dbraw/zinc/35/78/50/500357850.db2.gz SWKZBMIUEGUMPR-OAHLLOKOSA-N 1 1 360.439 3.362 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCSC[C@@H]3C3CCC3)o2)cc1 ZINC000419366829 500357852 /nfs/dbraw/zinc/35/78/52/500357852.db2.gz SWKZBMIUEGUMPR-OAHLLOKOSA-N 1 1 360.439 3.362 20 5 FGBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000431688047 500409053 /nfs/dbraw/zinc/40/90/53/500409053.db2.gz AYWDNCCEKUWYJB-MRXNPFEDSA-N 1 1 362.474 3.394 20 5 FGBDMO C[C@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@@H]1C ZINC000431872171 500437406 /nfs/dbraw/zinc/43/74/06/500437406.db2.gz SUUCDXBOJZAPRM-LSDHHAIUSA-N 1 1 362.474 3.392 20 5 FGBDMO C[C@@H](CCNc1c(C(N)=O)cccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000420597427 500475928 /nfs/dbraw/zinc/47/59/28/500475928.db2.gz IILLQHLVHCBRGO-AWEZNQCLSA-N 1 1 356.426 3.016 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420594295 500476120 /nfs/dbraw/zinc/47/61/20/500476120.db2.gz DCHGORIOHNCGBG-WMLDXEAASA-N 1 1 368.437 3.016 20 5 FGBDMO Cn1cc[nH+]c1C[C@@H]1CCCN(c2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000432337704 500500938 /nfs/dbraw/zinc/50/09/38/500500938.db2.gz UMAXUFWKSMZYPY-AWEZNQCLSA-N 1 1 351.410 3.336 20 5 FGBDMO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000428803199 500559456 /nfs/dbraw/zinc/55/94/56/500559456.db2.gz LAPZXYAYPSLFCO-IBGZPJMESA-N 1 1 358.369 3.051 20 5 FGBDMO O=C(C[N@H+]1CCC[C@@H](c2ccccc2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000433054298 500614258 /nfs/dbraw/zinc/61/42/58/500614258.db2.gz AYIIHWWVXWSJGP-GOSISDBHSA-N 1 1 365.433 3.364 20 5 FGBDMO O=C(C[N@H+]1CCC[C@H](c2ccccc2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000433054300 500614791 /nfs/dbraw/zinc/61/47/91/500614791.db2.gz AYIIHWWVXWSJGP-SFHVURJKSA-N 1 1 365.433 3.364 20 5 FGBDMO C[N@H+](Cc1ccc(F)c(Cl)c1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000433263181 500657594 /nfs/dbraw/zinc/65/75/94/500657594.db2.gz UMMRWYZICZKSTN-CYBMUJFWSA-N 1 1 368.792 3.259 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cc4c(cccc4F)[nH]3)C2)nc1 ZINC000438093113 500736848 /nfs/dbraw/zinc/73/68/48/500736848.db2.gz IAEISAJJRFELMA-LBPRGKRZSA-N 1 1 355.373 3.297 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cc4c(cccc4F)[nH]3)C2)nc1 ZINC000438093113 500736849 /nfs/dbraw/zinc/73/68/49/500736849.db2.gz IAEISAJJRFELMA-LBPRGKRZSA-N 1 1 355.373 3.297 20 5 FGBDMO CC(C)(C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000448282677 500743171 /nfs/dbraw/zinc/74/31/71/500743171.db2.gz VAYZWRSOIARYDV-DNVCBOLYSA-N 1 1 371.481 3.348 20 5 FGBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C[C@H]1C ZINC000448342487 500750170 /nfs/dbraw/zinc/75/01/70/500750170.db2.gz QTOXTOBJCKBHQI-GHMZBOCLSA-N 1 1 359.348 3.168 20 5 FGBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C[C@H]1C ZINC000448342487 500750172 /nfs/dbraw/zinc/75/01/72/500750172.db2.gz QTOXTOBJCKBHQI-GHMZBOCLSA-N 1 1 359.348 3.168 20 5 FGBDMO Cn1cc(C[N@@H+]2CCO[C@@H](C(C)(C)C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000448364511 500754256 /nfs/dbraw/zinc/75/42/56/500754256.db2.gz GEQIOBXBOKUPCH-QGZVFWFLSA-N 1 1 358.442 3.242 20 5 FGBDMO Cn1cc(C[N@H+]2CCO[C@@H](C(C)(C)C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000448364511 500754261 /nfs/dbraw/zinc/75/42/61/500754261.db2.gz GEQIOBXBOKUPCH-QGZVFWFLSA-N 1 1 358.442 3.242 20 5 FGBDMO CC(C)c1n[nH]c(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000434028070 500783620 /nfs/dbraw/zinc/78/36/20/500783620.db2.gz PKQIAHNDTJKDNO-AWEZNQCLSA-N 1 1 373.457 3.082 20 5 FGBDMO C[C@]1(c2ccccc2)CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000438475058 500789951 /nfs/dbraw/zinc/78/99/51/500789951.db2.gz AGARLFKVKRXRHT-NRFANRHFSA-N 1 1 365.433 3.148 20 5 FGBDMO C[C@H]1CCC[N@@H+](CCNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000448708770 500810574 /nfs/dbraw/zinc/81/05/74/500810574.db2.gz OOYYCCSLWGJMGQ-NSHDSACASA-N 1 1 359.348 3.075 20 5 FGBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000444186173 500815066 /nfs/dbraw/zinc/81/50/66/500815066.db2.gz RLLWYFDURGTCLD-DNVCBOLYSA-N 1 1 371.437 3.286 20 5 FGBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000444186173 500815069 /nfs/dbraw/zinc/81/50/69/500815069.db2.gz RLLWYFDURGTCLD-DNVCBOLYSA-N 1 1 371.437 3.286 20 5 FGBDMO COc1cc(C(=O)N(C)CC[N@@H+](C)C2CCCCC2)c([N+](=O)[O-])cc1F ZINC000448813013 500841414 /nfs/dbraw/zinc/84/14/14/500841414.db2.gz QRXBHHUTRPKKJN-UHFFFAOYSA-N 1 1 367.421 3.079 20 5 FGBDMO CC(C)[N@@H+](C)Cc1ccccc1CNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000439101737 500856549 /nfs/dbraw/zinc/85/65/49/500856549.db2.gz OTUVBWVDRSNJQX-UHFFFAOYSA-N 1 1 356.426 3.146 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCSC(C)(C)CC1 ZINC000434713433 500883425 /nfs/dbraw/zinc/88/34/25/500883425.db2.gz HLIBGEHZIZCPTE-LBPRGKRZSA-N 1 1 367.471 3.148 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCSC(C)(C)CC1 ZINC000434713433 500883428 /nfs/dbraw/zinc/88/34/28/500883428.db2.gz HLIBGEHZIZCPTE-LBPRGKRZSA-N 1 1 367.471 3.148 20 5 FGBDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1(CC)CC ZINC000434977742 500918028 /nfs/dbraw/zinc/91/80/28/500918028.db2.gz JNNBKNGILUKZFQ-IRXDYDNUSA-N 1 1 363.458 3.109 20 5 FGBDMO CCOCCCN1CC[C@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000449139859 500933042 /nfs/dbraw/zinc/93/30/42/500933042.db2.gz LZBMRKAVFHWFCN-LMMKCTJWSA-N 1 1 363.502 3.252 20 5 FGBDMO CCOc1ccccc1C[N@@H+]1CCN(c2ncccc2[N+](=O)[O-])[C@H](C)C1 ZINC000440655188 501035545 /nfs/dbraw/zinc/03/55/45/501035545.db2.gz BNARPZVLHVPEKE-OAHLLOKOSA-N 1 1 356.426 3.099 20 5 FGBDMO CCOc1ccccc1C[N@H+]1CCN(c2ncccc2[N+](=O)[O-])[C@H](C)C1 ZINC000440655188 501035548 /nfs/dbraw/zinc/03/55/48/501035548.db2.gz BNARPZVLHVPEKE-OAHLLOKOSA-N 1 1 356.426 3.099 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000449812090 501094512 /nfs/dbraw/zinc/09/45/12/501094512.db2.gz BOACCBNZOZLXSZ-QGZVFWFLSA-N 1 1 361.442 3.017 20 5 FGBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436347344 501111873 /nfs/dbraw/zinc/11/18/73/501111873.db2.gz ZSKDTNZZNYIIFC-ZDUSSCGKSA-N 1 1 369.440 3.281 20 5 FGBDMO COc1cccc([C@@H]2[C@@H](Nc3ccc([N+](=O)[O-])nc3)CC[N@H+]2C2CC2)c1 ZINC000450426018 501119426 /nfs/dbraw/zinc/11/94/26/501119426.db2.gz BMSXAYSNEMYRAH-PKOBYXMFSA-N 1 1 354.410 3.388 20 5 FGBDMO COc1ccc(OCC[N@@H+]2CCOC3(CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000441437750 501138957 /nfs/dbraw/zinc/13/89/57/501138957.db2.gz QIDXLYBSSWNITM-UHFFFAOYSA-N 1 1 350.415 3.017 20 5 FGBDMO COc1ccc(OCC[N@H+]2CCOC3(CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000441437750 501138961 /nfs/dbraw/zinc/13/89/61/501138961.db2.gz QIDXLYBSSWNITM-UHFFFAOYSA-N 1 1 350.415 3.017 20 5 FGBDMO CCOCC[N@H+]1CCN(c2nccc3c2cccc3[N+](=O)[O-])C[C@@H]1CC ZINC000450310139 501231043 /nfs/dbraw/zinc/23/10/43/501231043.db2.gz CIUZDPAPYBTDPP-HNNXBMFYSA-N 1 1 358.442 3.080 20 5 FGBDMO CC1(C)CCC[N@@H+](CCNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000451221426 501253238 /nfs/dbraw/zinc/25/32/38/501253238.db2.gz YVVVVYVQFMSXPG-UHFFFAOYSA-N 1 1 373.375 3.465 20 5 FGBDMO CCN(CCC[NH+](CC)CC)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000451296246 501259121 /nfs/dbraw/zinc/25/91/21/501259121.db2.gz OYWVTFNYTNZPEU-UHFFFAOYSA-N 1 1 373.457 3.179 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CCC[C@@H]3O)n2)cc1 ZINC000451339040 501269554 /nfs/dbraw/zinc/26/95/54/501269554.db2.gz IAMFZFXXYWZHDZ-BBWFWOEESA-N 1 1 372.425 3.160 20 5 FGBDMO O=[N+]([O-])c1cccc([C@H](N[C@H]2CCC[N@@H+](CCCO)C2)c2ccccc2)c1 ZINC000453280520 501306791 /nfs/dbraw/zinc/30/67/91/501306791.db2.gz BXXNYXOJOYPMHN-PZJWPPBQSA-N 1 1 369.465 3.121 20 5 FGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](C[C@H](O)COc3ccccc3F)C2)cc1 ZINC000451550410 501321101 /nfs/dbraw/zinc/32/11/01/501321101.db2.gz ROGDOCPHGITIOX-AEFFLSMTSA-N 1 1 374.412 3.353 20 5 FGBDMO CCS(=O)(=O)CCCCC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451552723 501321499 /nfs/dbraw/zinc/32/14/99/501321499.db2.gz XGRDVEVCUGKWEU-QGZVFWFLSA-N 1 1 368.499 3.379 20 5 FGBDMO COCC[N@@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)Cc1c(C)nn(C)c1C ZINC000453602951 501358803 /nfs/dbraw/zinc/35/88/03/501358803.db2.gz AERJUHMDUCEGMX-RVDMUPIBSA-N 1 1 372.469 3.497 20 5 FGBDMO CC[C@H]1C[N@@H+](CC)CCN1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000451724651 501360750 /nfs/dbraw/zinc/36/07/50/501360750.db2.gz IBDCJKMTXUMOBN-ZDUSSCGKSA-N 1 1 373.400 3.121 20 5 FGBDMO CO[C@@H]1C[C@H]([N@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC000451857698 501386621 /nfs/dbraw/zinc/38/66/21/501386621.db2.gz UXWHRIBYJRLIEP-LSDHHAIUSA-N 1 1 367.833 3.076 20 5 FGBDMO CO[C@@H]1C[C@H]([N@@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC000451857698 501386622 /nfs/dbraw/zinc/38/66/22/501386622.db2.gz UXWHRIBYJRLIEP-LSDHHAIUSA-N 1 1 367.833 3.076 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(Cc2c(F)cccc2F)CC1 ZINC000451959333 501408455 /nfs/dbraw/zinc/40/84/55/501408455.db2.gz NBTOPYQJILYXMU-UHFFFAOYSA-N 1 1 350.369 3.061 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(OCCOC(C)C)CC1 ZINC000451962119 501408823 /nfs/dbraw/zinc/40/88/23/501408823.db2.gz YKFFCUKGGFLYKQ-UHFFFAOYSA-N 1 1 352.431 3.009 20 5 FGBDMO O=C(C[N@@H+]1CCC[C@@]2(CCSC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000451986986 501413587 /nfs/dbraw/zinc/41/35/87/501413587.db2.gz YGYMMQYFKSRRNM-MRXNPFEDSA-N 1 1 369.874 3.406 20 5 FGBDMO O=C(C[N@H+]1CCC[C@@]2(CCSC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000451986986 501413588 /nfs/dbraw/zinc/41/35/88/501413588.db2.gz YGYMMQYFKSRRNM-MRXNPFEDSA-N 1 1 369.874 3.406 20 5 FGBDMO NC(=O)c1cc(NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000596092290 506253399 /nfs/dbraw/zinc/25/33/99/506253399.db2.gz NGIYNKPSFLTBIQ-MRXNPFEDSA-N 1 1 368.437 3.018 20 5 FGBDMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)c2ccccc2[N+](=O)[O-])CCC1 ZINC000452724577 501551757 /nfs/dbraw/zinc/55/17/57/501551757.db2.gz YCMSUYGKAYFPGD-UHFFFAOYSA-N 1 1 353.422 3.379 20 5 FGBDMO CCn1cc([C@@H](C)[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)cn1 ZINC000602682784 506260669 /nfs/dbraw/zinc/26/06/69/506260669.db2.gz RYKJYLAZWPHHFH-MRVPVSSYSA-N 1 1 359.249 3.486 20 5 FGBDMO O=C1[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCN1c1ccc(Cl)cc1F ZINC000598995884 506268400 /nfs/dbraw/zinc/26/84/00/506268400.db2.gz IFUCCRFJNFEAES-LBPRGKRZSA-N 1 1 369.805 3.344 20 5 FGBDMO COc1nc2ccccc2cc1C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602730963 506276185 /nfs/dbraw/zinc/27/61/85/506276185.db2.gz HDRWJMFJRVZLDZ-FQEVSTJZSA-N 1 1 367.405 3.149 20 5 FGBDMO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000481609839 501830868 /nfs/dbraw/zinc/83/08/68/501830868.db2.gz OXTSRUBRIVIRGL-UHFFFAOYSA-N 1 1 362.376 3.443 20 5 FGBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000460477899 501834054 /nfs/dbraw/zinc/83/40/54/501834054.db2.gz CTCFGJMEPKAZDM-GJZGRUSLSA-N 1 1 350.463 3.384 20 5 FGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)c1 ZINC000481721909 501863570 /nfs/dbraw/zinc/86/35/70/501863570.db2.gz YBNRORKHHBAOMK-FQEVSTJZSA-N 1 1 354.406 3.495 20 5 FGBDMO Cc1ccc([C@H]2CC[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)c(C)c1 ZINC000471019009 501893669 /nfs/dbraw/zinc/89/36/69/501893669.db2.gz NTOIPBBWQCRUIZ-ROUUACIJSA-N 1 1 370.449 3.441 20 5 FGBDMO CN(c1nc2sccn2c1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474783967 501951789 /nfs/dbraw/zinc/95/17/89/501951789.db2.gz ILQUQLSPBMLFKV-AWEZNQCLSA-N 1 1 357.439 3.015 20 5 FGBDMO Nc1ccc(N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)nc1[N+](=O)[O-] ZINC000596169144 506291247 /nfs/dbraw/zinc/29/12/47/506291247.db2.gz QWOXFNGDDDLQCP-FUHWJXTLSA-N 1 1 367.453 3.063 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000468483072 502074929 /nfs/dbraw/zinc/07/49/29/502074929.db2.gz GYKGOJKOODFWRL-CQSZACIVSA-N 1 1 353.850 3.407 20 5 FGBDMO CO[C@]1(C)C[C@@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1(C)C ZINC000464831097 502110219 /nfs/dbraw/zinc/11/02/19/502110219.db2.gz RLVFMPOZFHXVDF-VQIMIIECSA-N 1 1 363.458 3.367 20 5 FGBDMO C[C@H]1OCC[C@]12C[N@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)CCO2 ZINC000475289645 502120661 /nfs/dbraw/zinc/12/06/61/502120661.db2.gz BKEDAHSXLPYUKY-KUHUBIRLSA-N 1 1 358.394 3.235 20 5 FGBDMO C[C@H]1OCC[C@]12C[N@@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)CCO2 ZINC000475289645 502120666 /nfs/dbraw/zinc/12/06/66/502120666.db2.gz BKEDAHSXLPYUKY-KUHUBIRLSA-N 1 1 358.394 3.235 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000468635562 502132671 /nfs/dbraw/zinc/13/26/71/502132671.db2.gz QSBFFZLHWLDPOQ-FYXHJSOBSA-N 1 1 359.470 3.089 20 5 FGBDMO CCCC[N@@H+](C)CC1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000482682004 502151048 /nfs/dbraw/zinc/15/10/48/502151048.db2.gz IUPHERCDWINKEM-UHFFFAOYSA-N 1 1 359.474 3.415 20 5 FGBDMO Cc1cc(NCc2ccccc2C[NH+]2CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000461715642 502177184 /nfs/dbraw/zinc/17/71/84/502177184.db2.gz AOFOMSYZNZZKHQ-UHFFFAOYSA-N 1 1 359.401 3.487 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000475585543 502219827 /nfs/dbraw/zinc/21/98/27/502219827.db2.gz RTXHEFVIMBDBBF-QGZVFWFLSA-N 1 1 370.405 3.266 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@@]2(CO)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000475655616 502243829 /nfs/dbraw/zinc/24/38/29/502243829.db2.gz ZBCPGXPGIGPOFJ-FQEVSTJZSA-N 1 1 356.422 3.173 20 5 FGBDMO O=c1[nH]ccc(N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC000596191911 506302159 /nfs/dbraw/zinc/30/21/59/506302159.db2.gz BZKXVAGFDDZNLD-GVDBMIGSSA-N 1 1 368.437 3.408 20 5 FGBDMO C[C@@]1(C(N)=O)CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000475674151 502251052 /nfs/dbraw/zinc/25/10/52/502251052.db2.gz JJFGUOKNCUTIFN-QGZVFWFLSA-N 1 1 363.801 3.206 20 5 FGBDMO COC[C@@H](Cc1ccccc1)[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000475750362 502280301 /nfs/dbraw/zinc/28/03/01/502280301.db2.gz SRADNVIULXBZDK-QGZVFWFLSA-N 1 1 371.437 3.031 20 5 FGBDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000475750362 502280305 /nfs/dbraw/zinc/28/03/05/502280305.db2.gz SRADNVIULXBZDK-QGZVFWFLSA-N 1 1 371.437 3.031 20 5 FGBDMO Cc1c([C@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)s2)cccc1[N+](=O)[O-] ZINC000469310333 502370694 /nfs/dbraw/zinc/37/06/94/502370694.db2.gz MTPBFXANQRFEDK-NSHDSACASA-N 1 1 354.453 3.219 20 5 FGBDMO Cn1ccnc1[C@H](NC[C@H]1CC[N@H+]1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000599074297 506309555 /nfs/dbraw/zinc/30/95/55/506309555.db2.gz PLVGCLPPEAPULU-RTBURBONSA-N 1 1 369.469 3.024 20 5 FGBDMO C[C@]1(c2ccc(F)cc2)CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000483428197 502388392 /nfs/dbraw/zinc/38/83/92/502388392.db2.gz CBBVYIJDNNWGEF-XLIONFOSSA-N 1 1 374.412 3.137 20 5 FGBDMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000487227113 502396797 /nfs/dbraw/zinc/39/67/97/502396797.db2.gz HGVBHVGASRHAEC-AWEZNQCLSA-N 1 1 371.462 3.428 20 5 FGBDMO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487388620 502432179 /nfs/dbraw/zinc/43/21/79/502432179.db2.gz MGTKMAQXLHLYSU-ZBFHGGJFSA-N 1 1 371.412 3.374 20 5 FGBDMO C[C@@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C[N@H+]1Cc1ccccc1 ZINC000466538467 502600400 /nfs/dbraw/zinc/60/04/00/502600400.db2.gz HGWIRKSFIBMIDV-PBHICJAKSA-N 1 1 354.410 3.379 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000480592827 502613815 /nfs/dbraw/zinc/61/38/15/502613815.db2.gz ZZJQEDDBRKEHRT-HDICACEKSA-N 1 1 352.438 3.175 20 5 FGBDMO CCOCCC[N@H+]1CC[C@H](Nc2nc3ccccc3cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000473519043 502619811 /nfs/dbraw/zinc/61/98/11/502619811.db2.gz GFGOOHFZRQGDHO-RDJZCZTQSA-N 1 1 372.469 3.114 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000470144187 502677289 /nfs/dbraw/zinc/67/72/89/502677289.db2.gz YMSWKWLGZIZFRO-CYBMUJFWSA-N 1 1 352.410 3.223 20 5 FGBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470151220 502680213 /nfs/dbraw/zinc/68/02/13/502680213.db2.gz KYMYSDNQUQCAMF-CYBMUJFWSA-N 1 1 360.389 3.376 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@H](c4cccnc4)C3)n2)cc1 ZINC000602856756 506328763 /nfs/dbraw/zinc/32/87/63/506328763.db2.gz RANDTUKKAQOZRC-MRXNPFEDSA-N 1 1 365.393 3.419 20 5 FGBDMO CCC[C@@H]1CN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC[N@H+]1CCOC ZINC000470180476 502698001 /nfs/dbraw/zinc/69/80/01/502698001.db2.gz NXGVJWLFONSEJU-MBGNVJMVSA-N 1 1 361.486 3.431 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000488479943 502726711 /nfs/dbraw/zinc/72/67/11/502726711.db2.gz NUZFAMYNRIRFBP-IFXJQAMLSA-N 1 1 371.412 3.374 20 5 FGBDMO CC[N@@H+](CCc1ccccc1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000488542286 502745954 /nfs/dbraw/zinc/74/59/54/502745954.db2.gz WOURNOAESJESKB-IBGZPJMESA-N 1 1 353.422 3.265 20 5 FGBDMO COCC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CC[C@H](C)C1 ZINC000484877748 502763294 /nfs/dbraw/zinc/76/32/94/502763294.db2.gz GAWDINOFGTYDRR-GJZGRUSLSA-N 1 1 352.431 3.119 20 5 FGBDMO COCC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CC[C@@H](C)C1 ZINC000484900452 502770323 /nfs/dbraw/zinc/77/03/23/502770323.db2.gz VOCSHFNGGSVHMH-CZUORRHYSA-N 1 1 360.414 3.282 20 5 FGBDMO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000481185682 502777365 /nfs/dbraw/zinc/77/73/65/502777365.db2.gz DWCKFVPCKWPESJ-MJGOQNOKSA-N 1 1 369.465 3.474 20 5 FGBDMO C[NH+](C)Cc1cc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)ccc1Cl ZINC000500749081 502853941 /nfs/dbraw/zinc/85/39/41/502853941.db2.gz JQBXPGDULGWWKP-UHFFFAOYSA-N 1 1 373.800 3.438 20 5 FGBDMO COC(=O)c1ccc2c(c1)C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC2 ZINC000500783645 502862410 /nfs/dbraw/zinc/86/24/10/502862410.db2.gz KXZTXNZUWXJCIW-XQRVVYSFSA-N 1 1 352.390 3.453 20 5 FGBDMO COC(=O)c1ccc2c(c1)C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC2 ZINC000500783645 502862414 /nfs/dbraw/zinc/86/24/14/502862414.db2.gz KXZTXNZUWXJCIW-XQRVVYSFSA-N 1 1 352.390 3.453 20 5 FGBDMO CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000513174517 502869094 /nfs/dbraw/zinc/86/90/94/502869094.db2.gz UYZAKOBPHNTQPH-MRXNPFEDSA-N 1 1 363.458 3.263 20 5 FGBDMO CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000513174516 502869456 /nfs/dbraw/zinc/86/94/56/502869456.db2.gz UYZAKOBPHNTQPH-INIZCTEOSA-N 1 1 363.458 3.263 20 5 FGBDMO Cc1cc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000513249817 502888508 /nfs/dbraw/zinc/88/85/08/502888508.db2.gz RSUKVCTVYFPKOW-SFHVURJKSA-N 1 1 353.422 3.298 20 5 FGBDMO CCc1ccc([C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3C)CC[NH2+]2)cc1 ZINC000505544231 502932249 /nfs/dbraw/zinc/93/22/49/502932249.db2.gz ZYGODNMBBFLKMO-LJQANCHMSA-N 1 1 353.422 3.252 20 5 FGBDMO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501128994 502946027 /nfs/dbraw/zinc/94/60/27/502946027.db2.gz TYFRUSABOWPZCV-BEFAXECRSA-N 1 1 369.421 3.385 20 5 FGBDMO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501128994 502946031 /nfs/dbraw/zinc/94/60/31/502946031.db2.gz TYFRUSABOWPZCV-BEFAXECRSA-N 1 1 369.421 3.385 20 5 FGBDMO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1CC1(C)C ZINC000489397674 502947103 /nfs/dbraw/zinc/94/71/03/502947103.db2.gz DYXAKVDVCVVEPY-LBPRGKRZSA-N 1 1 356.220 3.026 20 5 FGBDMO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1CC1(C)C ZINC000489397674 502947106 /nfs/dbraw/zinc/94/71/06/502947106.db2.gz DYXAKVDVCVVEPY-LBPRGKRZSA-N 1 1 356.220 3.026 20 5 FGBDMO C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000497411343 502952613 /nfs/dbraw/zinc/95/26/13/502952613.db2.gz OMRHNUWFIAAZJO-DLBZAZTESA-N 1 1 365.389 3.169 20 5 FGBDMO Cc1c[nH+]cn1C1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000505665506 502962555 /nfs/dbraw/zinc/96/25/55/502962555.db2.gz VEZQIXHQCGHFGD-UHFFFAOYSA-N 1 1 360.439 3.056 20 5 FGBDMO CC(C)(C)c1ccc(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000588816490 506345070 /nfs/dbraw/zinc/34/50/70/506345070.db2.gz SRGRSXCOARJKNR-JKSUJKDBSA-N 1 1 363.433 3.151 20 5 FGBDMO CCc1nn(C)c(Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)c1[N+](=O)[O-] ZINC000588815660 506345273 /nfs/dbraw/zinc/34/52/73/506345273.db2.gz MHAYULFXUJJLDL-CYBMUJFWSA-N 1 1 359.430 3.028 20 5 FGBDMO COC(=O)c1c(Cl)c(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000596295706 506346124 /nfs/dbraw/zinc/34/61/24/506346124.db2.gz CWARQHUMCKHFMK-YPMHNXCESA-N 1 1 367.833 3.464 20 5 FGBDMO C[C@]1(c2ccccc2)CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000510079205 503045091 /nfs/dbraw/zinc/04/50/91/503045091.db2.gz OUEJACGEOJDSTO-FQEVSTJZSA-N 1 1 355.438 3.200 20 5 FGBDMO C[C@@H]1C[C@@H](CCNC(=O)c2ccc([N+](=O)[O-])o2)C[N@H+]1Cc1ccccc1 ZINC000510083964 503045640 /nfs/dbraw/zinc/04/56/40/503045640.db2.gz IYESAYKQMMYZOV-GDBMZVCRSA-N 1 1 357.410 3.218 20 5 FGBDMO CC[N@H+](C[C@H](C)O)[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000510146087 503058190 /nfs/dbraw/zinc/05/81/90/503058190.db2.gz VHSKMYLJVKLVIG-HNAYVOBHSA-N 1 1 371.437 3.286 20 5 FGBDMO CC[N@@H+](C[C@H](C)O)[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000510146087 503058196 /nfs/dbraw/zinc/05/81/96/503058196.db2.gz VHSKMYLJVKLVIG-HNAYVOBHSA-N 1 1 371.437 3.286 20 5 FGBDMO C[C@@H](NC(=O)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000489914083 503063667 /nfs/dbraw/zinc/06/36/67/503063667.db2.gz PCXCGKRZIVMPNO-OIPACUDHSA-N 1 1 360.458 3.028 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCSC[C@H]2C2CCC2)c1 ZINC000593036155 506350330 /nfs/dbraw/zinc/35/03/30/506350330.db2.gz OQWAFMBAVXCGQD-INIZCTEOSA-N 1 1 350.440 3.099 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCSC[C@H]2C2CCC2)c1 ZINC000593036155 506350335 /nfs/dbraw/zinc/35/03/35/506350335.db2.gz OQWAFMBAVXCGQD-INIZCTEOSA-N 1 1 350.440 3.099 20 5 FGBDMO COc1ccccc1[C@H]1CC[C@@H](C)C[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000510243184 503078106 /nfs/dbraw/zinc/07/81/06/503078106.db2.gz OBLVFTQAGHEJIK-CRAIPNDOSA-N 1 1 371.437 3.238 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]CCc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000514082496 503082503 /nfs/dbraw/zinc/08/25/03/503082503.db2.gz HDTUPJXMIZBEAK-GOSISDBHSA-N 1 1 354.385 3.389 20 5 FGBDMO C[N@H+]1CCCC[C@H](CNC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000599156942 506351538 /nfs/dbraw/zinc/35/15/38/506351538.db2.gz LLXMYOCAXRPVQP-AEFFLSMTSA-N 1 1 374.485 3.216 20 5 FGBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514212508 503114318 /nfs/dbraw/zinc/11/43/18/503114318.db2.gz FIJOHIPFULVEOB-CYBMUJFWSA-N 1 1 371.384 3.143 20 5 FGBDMO C[C@]1(c2cccc(F)c2)CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000593039058 506353926 /nfs/dbraw/zinc/35/39/26/506353926.db2.gz CBNMHOJZRCXTMI-PXNSSMCTSA-N 1 1 374.412 3.137 20 5 FGBDMO COc1cc(C[N@H+]2CCCOCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000510538165 503138388 /nfs/dbraw/zinc/13/83/88/503138388.db2.gz LIHGRHBLIVXXKE-UHFFFAOYSA-N 1 1 372.421 3.405 20 5 FGBDMO CC1=CC[N@@H+](CCNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000506654174 503150697 /nfs/dbraw/zinc/15/06/97/503150697.db2.gz NXQHGNMESLCZQG-UHFFFAOYSA-N 1 1 372.450 3.100 20 5 FGBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000490714949 503217236 /nfs/dbraw/zinc/21/72/36/503217236.db2.gz VTRAACNIPVSKNQ-AWEZNQCLSA-N 1 1 350.463 3.250 20 5 FGBDMO C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000498638057 503230211 /nfs/dbraw/zinc/23/02/11/503230211.db2.gz KNAPKRQURJEGHN-QGZVFWFLSA-N 1 1 368.437 3.031 20 5 FGBDMO Cc1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490829023 503233515 /nfs/dbraw/zinc/23/35/15/503233515.db2.gz SREOMYASCQNBRA-IBGZPJMESA-N 1 1 356.422 3.308 20 5 FGBDMO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511067687 503245719 /nfs/dbraw/zinc/24/57/19/503245719.db2.gz WNWXCFYLFZVCDP-GOSISDBHSA-N 1 1 371.437 3.495 20 5 FGBDMO C[C@H](NC(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000511093100 503251693 /nfs/dbraw/zinc/25/16/93/503251693.db2.gz BXJGTHVHFWBKAS-AWEZNQCLSA-N 1 1 359.401 3.086 20 5 FGBDMO C[C@H](NC(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000511093100 503251699 /nfs/dbraw/zinc/25/16/99/503251699.db2.gz BXJGTHVHFWBKAS-AWEZNQCLSA-N 1 1 359.401 3.086 20 5 FGBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000511093621 503252452 /nfs/dbraw/zinc/25/24/52/503252452.db2.gz DGYKIJHBSQKTRH-CQSZACIVSA-N 1 1 357.410 3.105 20 5 FGBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000511093621 503252457 /nfs/dbraw/zinc/25/24/57/503252457.db2.gz DGYKIJHBSQKTRH-CQSZACIVSA-N 1 1 357.410 3.105 20 5 FGBDMO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC2)nc1 ZINC000491136392 503278479 /nfs/dbraw/zinc/27/84/79/503278479.db2.gz GUFNEDROMCJHEF-UHFFFAOYSA-N 1 1 372.400 3.288 20 5 FGBDMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000491181565 503281853 /nfs/dbraw/zinc/28/18/53/503281853.db2.gz FJWZJSSVIQAEGP-UKRRQHHQSA-N 1 1 351.422 3.251 20 5 FGBDMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000491181565 503281859 /nfs/dbraw/zinc/28/18/59/503281859.db2.gz FJWZJSSVIQAEGP-UKRRQHHQSA-N 1 1 351.422 3.251 20 5 FGBDMO CC[N@H+]1C[C@@H](C)N(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C ZINC000498926445 503295976 /nfs/dbraw/zinc/29/59/76/503295976.db2.gz CDFHVPZQCAQTBD-HUUCEWRRSA-N 1 1 358.442 3.207 20 5 FGBDMO CCN1C[C@@H](C)[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C ZINC000498926445 503295981 /nfs/dbraw/zinc/29/59/81/503295981.db2.gz CDFHVPZQCAQTBD-HUUCEWRRSA-N 1 1 358.442 3.207 20 5 FGBDMO CCN1C[C@@H](C)[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C ZINC000498926445 503295985 /nfs/dbraw/zinc/29/59/85/503295985.db2.gz CDFHVPZQCAQTBD-HUUCEWRRSA-N 1 1 358.442 3.207 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000498943529 503300360 /nfs/dbraw/zinc/30/03/60/503300360.db2.gz XKXCETDEUWCUAV-AWEZNQCLSA-N 1 1 371.441 3.369 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000498943532 503300728 /nfs/dbraw/zinc/30/07/28/503300728.db2.gz XKXCETDEUWCUAV-CQSZACIVSA-N 1 1 371.441 3.369 20 5 FGBDMO COc1cc(C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000511677104 503367623 /nfs/dbraw/zinc/36/76/23/503367623.db2.gz GARMXUXCJHYABH-PBHICJAKSA-N 1 1 369.421 3.169 20 5 FGBDMO COc1cc(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000511677106 503367888 /nfs/dbraw/zinc/36/78/88/503367888.db2.gz GARMXUXCJHYABH-WMLDXEAASA-N 1 1 369.421 3.169 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000511676978 503367957 /nfs/dbraw/zinc/36/79/57/503367957.db2.gz DECOREOILLWZHW-WBVHZDCISA-N 1 1 353.422 3.469 20 5 FGBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000511900781 503410822 /nfs/dbraw/zinc/41/08/22/503410822.db2.gz JPUPYYZMLIDMSN-SFHVURJKSA-N 1 1 360.458 3.143 20 5 FGBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000499672834 503454364 /nfs/dbraw/zinc/45/43/64/503454364.db2.gz XKHSUVXSMOSUDE-KRWDZBQOSA-N 1 1 362.474 3.168 20 5 FGBDMO O=[N+]([O-])c1ccccc1CN1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000593069078 506373364 /nfs/dbraw/zinc/37/33/64/506373364.db2.gz RRDVHFPRRDBUAW-LEWJYISDSA-N 1 1 367.449 3.070 20 5 FGBDMO COC(=O)c1ccc(N2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)[C@H](C)C2)cc1 ZINC000512364645 503528948 /nfs/dbraw/zinc/52/89/48/503528948.db2.gz JSLZLYIBOMJWRG-OAHLLOKOSA-N 1 1 369.421 3.092 20 5 FGBDMO COC(=O)c1ccc(N2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)[C@H](C)C2)cc1 ZINC000512364645 503528953 /nfs/dbraw/zinc/52/89/53/503528953.db2.gz JSLZLYIBOMJWRG-OAHLLOKOSA-N 1 1 369.421 3.092 20 5 FGBDMO C[N@@H+](CCc1cccc(NC(=O)c2c(N)cccc2[N+](=O)[O-])c1)C1CC1 ZINC000500031754 503536993 /nfs/dbraw/zinc/53/69/93/503536993.db2.gz SQWBRVXDKKJMNJ-UHFFFAOYSA-N 1 1 354.410 3.066 20 5 FGBDMO Cc1ccc(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c(=O)n1C ZINC000494462488 503545506 /nfs/dbraw/zinc/54/55/06/503545506.db2.gz BNIYKVTVULZJBS-HXUWFJFHSA-N 1 1 363.417 3.481 20 5 FGBDMO C[C@@]1(c2ccccc2)CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000500184793 503573709 /nfs/dbraw/zinc/57/37/09/503573709.db2.gz WMZOHEDEWIDHIB-TZIWHRDSSA-N 1 1 370.449 3.388 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000504695172 503605870 /nfs/dbraw/zinc/60/58/70/503605870.db2.gz MXTVITRQUNXKQK-CVEARBPZSA-N 1 1 362.813 3.435 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000504695172 503605875 /nfs/dbraw/zinc/60/58/75/503605875.db2.gz MXTVITRQUNXKQK-CVEARBPZSA-N 1 1 362.813 3.435 20 5 FGBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000500552943 503645617 /nfs/dbraw/zinc/64/56/17/503645617.db2.gz ARIXYTWQEXVORP-HZSPNIEDSA-N 1 1 358.442 3.172 20 5 FGBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@](O)(CC)C2)cc1OC ZINC000495204127 503697822 /nfs/dbraw/zinc/69/78/22/503697822.db2.gz UMAMPBLIEQUOHL-AUUYWEPGSA-N 1 1 366.458 3.375 20 5 FGBDMO COc1ccc2c(c1)CCCN2C(=O)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000540427570 503768519 /nfs/dbraw/zinc/76/85/19/503768519.db2.gz WUKJMWFPYJHPAX-CQSZACIVSA-N 1 1 369.421 3.233 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)c2ncc([N+](=O)[O-])c(C)c2Br)[C@@H](C)C1 ZINC000543434690 503769161 /nfs/dbraw/zinc/76/91/61/503769161.db2.gz FJSNULGVVQCMLW-JQWIXIFHSA-N 1 1 371.279 3.227 20 5 FGBDMO COc1cccc(C[N@@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)c1 ZINC000533229993 503769321 /nfs/dbraw/zinc/76/93/21/503769321.db2.gz VVDBWEQSXCSNMK-UHFFFAOYSA-N 1 1 371.393 3.033 20 5 FGBDMO O=C(CC[N@H+]1CC[C@@H](Cc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000533293616 503794946 /nfs/dbraw/zinc/79/49/46/503794946.db2.gz WEBPKXXSZSUECU-KRWDZBQOSA-N 1 1 353.422 3.488 20 5 FGBDMO C[N@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)CC1CCC1 ZINC000533302920 503798922 /nfs/dbraw/zinc/79/89/22/503798922.db2.gz FSFHCVYMPVZUJA-UHFFFAOYSA-N 1 1 360.439 3.389 20 5 FGBDMO Cn1ccc([C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2)n1 ZINC000537191277 503834685 /nfs/dbraw/zinc/83/46/85/503834685.db2.gz YNOKMMNYSSFDEH-IBGZPJMESA-N 1 1 370.384 3.225 20 5 FGBDMO Cn1cc(C(C)(C)[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)cn1 ZINC000546703276 503844055 /nfs/dbraw/zinc/84/40/55/503844055.db2.gz NGWKMSPSKIGONQ-UHFFFAOYSA-N 1 1 357.439 3.477 20 5 FGBDMO CCN1CC[C@H]([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000533447427 503850687 /nfs/dbraw/zinc/85/06/87/503850687.db2.gz YFSPBAHQNRGCDN-HOTGVXAUSA-N 1 1 362.474 3.036 20 5 FGBDMO CCN1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000533447427 503850690 /nfs/dbraw/zinc/85/06/90/503850690.db2.gz YFSPBAHQNRGCDN-HOTGVXAUSA-N 1 1 362.474 3.036 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](Nc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000533500920 503866209 /nfs/dbraw/zinc/86/62/09/503866209.db2.gz MBYFKDPOVSXSTD-DOTOQJQBSA-N 1 1 368.437 3.417 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](Nc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000533500920 503866211 /nfs/dbraw/zinc/86/62/11/503866211.db2.gz MBYFKDPOVSXSTD-DOTOQJQBSA-N 1 1 368.437 3.417 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[N@H+](C(C)(C)C)CC2)c1 ZINC000537276295 503866588 /nfs/dbraw/zinc/86/65/88/503866588.db2.gz YSRYZZNYONRRSE-UHFFFAOYSA-N 1 1 363.458 3.005 20 5 FGBDMO CC[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000546815662 503888074 /nfs/dbraw/zinc/88/80/74/503888074.db2.gz FSRXXGLYTYSJIQ-QGZVFWFLSA-N 1 1 353.422 3.331 20 5 FGBDMO CC[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000546815662 503888080 /nfs/dbraw/zinc/88/80/80/503888080.db2.gz FSRXXGLYTYSJIQ-QGZVFWFLSA-N 1 1 353.422 3.331 20 5 FGBDMO COc1ccc(-c2ccc(CNCC[N@@H+]3CC[C@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000540802792 503898635 /nfs/dbraw/zinc/89/86/35/503898635.db2.gz LJJJZWXMQMZNNE-AWEZNQCLSA-N 1 1 359.426 3.295 20 5 FGBDMO COc1ccc(-c2ccc(CNCC[N@H+]3CC[C@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000540802792 503898641 /nfs/dbraw/zinc/89/86/41/503898641.db2.gz LJJJZWXMQMZNNE-AWEZNQCLSA-N 1 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Cc1nn(-c2ccncc2)cc1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000555340335 505412790 /nfs/dbraw/zinc/41/27/90/505412790.db2.gz YARWFIAWYILHTF-UHFFFAOYSA-N 1 1 351.410 3.158 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000552156355 505417697 /nfs/dbraw/zinc/41/76/97/505417697.db2.gz AJNINKJCIVYVDY-KRWDZBQOSA-N 1 1 359.470 3.324 20 5 FGBDMO Cc1cc(NC[C@H](C)[N@H+]2CCCC[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000567301530 505422099 /nfs/dbraw/zinc/42/20/99/505422099.db2.gz VLWPERZQBLOOES-CVEARBPZSA-N 1 1 369.469 3.457 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]CCc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000552239491 505436904 /nfs/dbraw/zinc/43/69/04/505436904.db2.gz QLQZGXBGCURYDS-GOSISDBHSA-N 1 1 354.385 3.389 20 5 FGBDMO CC(C)CC[C@](C)(O)C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000552247295 505439386 /nfs/dbraw/zinc/43/93/86/505439386.db2.gz JFNKULVQWFMMIJ-HKUYNNGSSA-N 1 1 360.458 3.195 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]C[C@](C)(O)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000552283403 505450500 /nfs/dbraw/zinc/45/05/00/505450500.db2.gz BTCAVZZOPHEWMC-QUCCMNQESA-N 1 1 372.469 3.339 20 5 FGBDMO O=[N+]([O-])c1ccc(OCC[N@@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cc1 ZINC000561905849 505464320 /nfs/dbraw/zinc/46/43/20/505464320.db2.gz BEYLWFMNECCLNJ-DOTOQJQBSA-N 1 1 374.462 3.474 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000552514549 505505925 /nfs/dbraw/zinc/50/59/25/505505925.db2.gz GIDQTOLXEBQUQC-OAHLLOKOSA-N 1 1 357.385 3.470 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000552514549 505505928 /nfs/dbraw/zinc/50/59/28/505505928.db2.gz GIDQTOLXEBQUQC-OAHLLOKOSA-N 1 1 357.385 3.470 20 5 FGBDMO CC(=O)NCC[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCSCC1 ZINC000558863630 505514449 /nfs/dbraw/zinc/51/44/49/505514449.db2.gz ALSUWSSBCRVBIN-UHFFFAOYSA-N 1 1 371.890 3.082 20 5 FGBDMO O=C(CCNC1CC[NH+](C2CCCCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000567684467 505536060 /nfs/dbraw/zinc/53/60/60/505536060.db2.gz JMKKZUCIXUCKOO-UHFFFAOYSA-N 1 1 374.485 3.310 20 5 FGBDMO C[N@@H+]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000552810392 505558437 /nfs/dbraw/zinc/55/84/37/505558437.db2.gz ZSYVYJVXNZKDMK-OAHLLOKOSA-N 1 1 373.840 3.247 20 5 FGBDMO C[N@H+]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000552810392 505558441 /nfs/dbraw/zinc/55/84/41/505558441.db2.gz ZSYVYJVXNZKDMK-OAHLLOKOSA-N 1 1 373.840 3.247 20 5 FGBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000564957167 505563188 /nfs/dbraw/zinc/56/31/88/505563188.db2.gz CSFLXYQGPXPHHY-LJQANCHMSA-N 1 1 373.384 3.161 20 5 FGBDMO C[C@@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCc2ccccc21 ZINC000593094412 506389397 /nfs/dbraw/zinc/38/93/97/506389397.db2.gz FWPJITSMFSISPS-OAHLLOKOSA-N 1 1 353.422 3.219 20 5 FGBDMO O=[N+]([O-])c1cc(F)c(NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c(F)c1 ZINC000596423555 506398189 /nfs/dbraw/zinc/39/81/89/506398189.db2.gz LFDNEYZGPWTEFY-HNNXBMFYSA-N 1 1 363.364 3.052 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000593131843 506412513 /nfs/dbraw/zinc/41/25/13/506412513.db2.gz LRFDOVQUXAKBDD-SFHVURJKSA-N 1 1 368.437 3.294 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000593131843 506412518 /nfs/dbraw/zinc/41/25/18/506412518.db2.gz LRFDOVQUXAKBDD-SFHVURJKSA-N 1 1 368.437 3.294 20 5 FGBDMO O=C(N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccc([N+](=O)[O-])o1 ZINC000612133336 506453930 /nfs/dbraw/zinc/45/39/30/506453930.db2.gz XGNXMRYJCDDNNL-BRWVUGGUSA-N 1 1 369.421 3.218 20 5 FGBDMO O=[N+]([O-])c1cnc(NC[C@H]2CCC[N@@H+](CC3CC3)C2)c(Br)c1 ZINC000596570016 506465898 /nfs/dbraw/zinc/46/58/98/506465898.db2.gz GWBTZWCHMOXDSB-GFCCVEGCSA-N 1 1 369.263 3.286 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c([N+](=O)[O-])cc1OC ZINC000589200127 506481268 /nfs/dbraw/zinc/48/12/68/506481268.db2.gz RRCVVAPHTXSANC-HUUCEWRRSA-N 1 1 364.442 3.251 20 5 FGBDMO Cn1ncc2c1CC(C)(C)C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000596599186 506482607 /nfs/dbraw/zinc/48/26/07/506482607.db2.gz QYEFJHAGAPVSCR-UHFFFAOYSA-N 1 1 358.442 3.182 20 5 FGBDMO C[C@H](C(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000593324570 506542120 /nfs/dbraw/zinc/54/21/20/506542120.db2.gz XJEBPODMNQTEAG-JXFKEZNVSA-N 1 1 367.449 3.084 20 5 FGBDMO C[C@H](C(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000593324570 506542126 /nfs/dbraw/zinc/54/21/26/506542126.db2.gz XJEBPODMNQTEAG-JXFKEZNVSA-N 1 1 367.449 3.084 20 5 FGBDMO CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589503116 506572893 /nfs/dbraw/zinc/57/28/93/506572893.db2.gz NMZMKGOJAMCNTO-GOSISDBHSA-N 1 1 372.421 3.155 20 5 FGBDMO CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589503116 506572901 /nfs/dbraw/zinc/57/29/01/506572901.db2.gz NMZMKGOJAMCNTO-GOSISDBHSA-N 1 1 372.421 3.155 20 5 FGBDMO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000593402347 506603008 /nfs/dbraw/zinc/60/30/08/506603008.db2.gz GGGNLDDTKLPZTB-GOSISDBHSA-N 1 1 371.412 3.057 20 5 FGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593440247 506621456 /nfs/dbraw/zinc/62/14/56/506621456.db2.gz MYJSDMFEEFTHGY-JKIFEVAISA-N 1 1 363.433 3.140 20 5 FGBDMO Cc1cc(N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)ccc1[N+](=O)[O-] ZINC000593495769 506654056 /nfs/dbraw/zinc/65/40/56/506654056.db2.gz IIZAHVSVVFSHNV-RTWAWAEBSA-N 1 1 367.449 3.383 20 5 FGBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599834292 506666775 /nfs/dbraw/zinc/66/67/75/506666775.db2.gz FJHHBUPAHQRAGQ-CYBMUJFWSA-N 1 1 359.430 3.385 20 5 FGBDMO CCCN(C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)[C@@H]1CC[N@@H+](C)C1 ZINC000599837418 506669658 /nfs/dbraw/zinc/66/96/58/506669658.db2.gz DHUKIYZMZGLHAT-CYBMUJFWSA-N 1 1 357.414 3.091 20 5 FGBDMO O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000596972053 506705015 /nfs/dbraw/zinc/70/50/15/506705015.db2.gz QSRAMQLBIVREOO-IBGZPJMESA-N 1 1 367.449 3.166 20 5 FGBDMO C[C@@H](O)C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCCCC1 ZINC000608869046 506730665 /nfs/dbraw/zinc/73/06/65/506730665.db2.gz MJBLDCNXLVERNL-CYBMUJFWSA-N 1 1 360.414 3.160 20 5 FGBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000590175824 506757892 /nfs/dbraw/zinc/75/78/92/506757892.db2.gz UYMMVOQCXRDTFY-VXGBXAGGSA-N 1 1 373.375 3.464 20 5 FGBDMO CCC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccc(OC)cc1 ZINC000604492970 506849943 /nfs/dbraw/zinc/84/99/43/506849943.db2.gz QSUABAQBPNTZRE-UHFFFAOYSA-N 1 1 371.437 3.478 20 5 FGBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000600228511 506859625 /nfs/dbraw/zinc/85/96/25/506859625.db2.gz CJAWVPYQPJARBH-ZDUSSCGKSA-N 1 1 351.834 3.385 20 5 FGBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000600230061 506861107 /nfs/dbraw/zinc/86/11/07/506861107.db2.gz PKXFNWHLTIAEMS-OAHLLOKOSA-N 1 1 368.437 3.280 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](OC3CCC3)C2)cccc1[N+](=O)[O-] ZINC000594026971 506891915 /nfs/dbraw/zinc/89/19/15/506891915.db2.gz RCUBNMKWXJDSED-ZBFHGGJFSA-N 1 1 361.442 3.264 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](OC3CCC3)C2)cccc1[N+](=O)[O-] ZINC000594026971 506891921 /nfs/dbraw/zinc/89/19/21/506891921.db2.gz RCUBNMKWXJDSED-ZBFHGGJFSA-N 1 1 361.442 3.264 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000609540406 506913523 /nfs/dbraw/zinc/91/35/23/506913523.db2.gz VISJIMJAAXXHHI-CYBMUJFWSA-N 1 1 359.382 3.015 20 5 FGBDMO CC(C)(C(=O)NC[C@H]1CC[N@H+]1C1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000600471398 506963072 /nfs/dbraw/zinc/96/30/72/506963072.db2.gz SAWSNQSVWOOTJR-OAHLLOKOSA-N 1 1 363.433 3.145 20 5 FGBDMO CC(C)[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)Cc1ccccn1 ZINC000609766498 506993074 /nfs/dbraw/zinc/99/30/74/506993074.db2.gz YHUWTSBSXCIWDL-UHFFFAOYSA-N 1 1 370.409 3.198 20 5 FGBDMO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000609995689 507065297 /nfs/dbraw/zinc/06/52/97/507065297.db2.gz HJEDOIZIDYAUSB-UHFFFAOYSA-N 1 1 351.834 3.339 20 5 FGBDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000591071285 507101270 /nfs/dbraw/zinc/10/12/70/507101270.db2.gz JRIDSAZLNVAZKB-IPMKNSEASA-N 1 1 351.406 3.001 20 5 FGBDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000591071285 507101277 /nfs/dbraw/zinc/10/12/77/507101277.db2.gz JRIDSAZLNVAZKB-IPMKNSEASA-N 1 1 351.406 3.001 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000610121863 507107002 /nfs/dbraw/zinc/10/70/02/507107002.db2.gz GYMLHILOHHAJHI-HNNXBMFYSA-N 1 1 371.412 3.471 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000597859732 507136907 /nfs/dbraw/zinc/13/69/07/507136907.db2.gz GKRXRVZZRUAKET-NSHDSACASA-N 1 1 373.375 3.464 20 5 FGBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000597858112 507137669 /nfs/dbraw/zinc/13/76/69/507137669.db2.gz JQSCEZKZICMMJR-WCQYABFASA-N 1 1 369.849 3.005 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000597859668 507137815 /nfs/dbraw/zinc/13/78/15/507137815.db2.gz XKEPAFYNMYWPFP-JSGCOSHPSA-N 1 1 351.472 3.064 20 5 FGBDMO Cc1cnc(CC[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000594510881 507163741 /nfs/dbraw/zinc/16/37/41/507163741.db2.gz PJAXSOQPCWGZRB-IBGZPJMESA-N 1 1 365.437 3.262 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC000597921935 507175656 /nfs/dbraw/zinc/17/56/56/507175656.db2.gz IDGZJJMKJWOCFD-OAHLLOKOSA-N 1 1 368.437 3.259 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000597922652 507176750 /nfs/dbraw/zinc/17/67/50/507176750.db2.gz KBJFXFANSOMWOH-ZDUSSCGKSA-N 1 1 374.466 3.321 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000597924911 507177625 /nfs/dbraw/zinc/17/76/25/507177625.db2.gz UXIDZQXENOQJFY-LBPRGKRZSA-N 1 1 351.422 3.001 20 5 FGBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000610468887 507251533 /nfs/dbraw/zinc/25/15/33/507251533.db2.gz RCMHGFNTMNMMDS-AWEZNQCLSA-N 1 1 371.466 3.405 20 5 FGBDMO C[C@@H]1C[C@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000601309779 507329906 /nfs/dbraw/zinc/32/99/06/507329906.db2.gz VDNUGHYAWLPAFZ-HIFRSBDPSA-N 1 1 357.385 3.127 20 5 FGBDMO C[C@@H]1C[C@@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000601309780 507330484 /nfs/dbraw/zinc/33/04/84/507330484.db2.gz VDNUGHYAWLPAFZ-UKRRQHHQSA-N 1 1 357.385 3.127 20 5 FGBDMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000610666676 507338779 /nfs/dbraw/zinc/33/87/79/507338779.db2.gz KUEZDVPJFLESBQ-UHFFFAOYSA-N 1 1 364.405 3.338 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000595018993 507357399 /nfs/dbraw/zinc/35/73/99/507357399.db2.gz PDKANEUEURBENI-AWEZNQCLSA-N 1 1 365.474 3.143 20 5 FGBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601538538 507383399 /nfs/dbraw/zinc/38/33/99/507383399.db2.gz LHNQVNBIOXHXTM-UHFFFAOYSA-N 1 1 359.357 3.121 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])c(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)n1 ZINC000584689500 507451307 /nfs/dbraw/zinc/45/13/07/507451307.db2.gz QRCGJHDGIXANBP-SFHVURJKSA-N 1 1 371.437 3.277 20 5 FGBDMO O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000598507393 507465581 /nfs/dbraw/zinc/46/55/81/507465581.db2.gz AEOVTEOMISRXOK-MRXNPFEDSA-N 1 1 364.405 3.080 20 5 FGBDMO O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000598512972 507469510 /nfs/dbraw/zinc/46/95/10/507469510.db2.gz WNMWCSZUNBOSMI-HSALFYBXSA-N 1 1 365.433 3.089 20 5 FGBDMO Cc1noc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)c1[N+](=O)[O-] ZINC000595423382 507489337 /nfs/dbraw/zinc/48/93/37/507489337.db2.gz RDDDMNDTXQXTKY-CQSZACIVSA-N 1 1 368.397 3.056 20 5 FGBDMO Cc1noc(C[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)c1[N+](=O)[O-] ZINC000595423382 507489343 /nfs/dbraw/zinc/48/93/43/507489343.db2.gz RDDDMNDTXQXTKY-CQSZACIVSA-N 1 1 368.397 3.056 20 5 FGBDMO Cc1noc(CN2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)c1[N+](=O)[O-] ZINC000595422797 507489590 /nfs/dbraw/zinc/48/95/90/507489590.db2.gz ONYYNLUOARQWMR-AWEZNQCLSA-N 1 1 374.445 3.437 20 5 FGBDMO Cc1noc(C[N@@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)c1[N+](=O)[O-] ZINC000595422797 507489596 /nfs/dbraw/zinc/48/95/96/507489596.db2.gz ONYYNLUOARQWMR-AWEZNQCLSA-N 1 1 374.445 3.437 20 5 FGBDMO Cc1noc(C[N@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)c1[N+](=O)[O-] ZINC000595422797 507489601 /nfs/dbraw/zinc/48/96/01/507489601.db2.gz ONYYNLUOARQWMR-AWEZNQCLSA-N 1 1 374.445 3.437 20 5 FGBDMO CCC[C@@H]1CN(Cc2onc(C)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000595425593 507491014 /nfs/dbraw/zinc/49/10/14/507491014.db2.gz ULIFGBOFEYRXFY-QGZVFWFLSA-N 1 1 358.442 3.378 20 5 FGBDMO COc1cccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)n1 ZINC000592130358 507496016 /nfs/dbraw/zinc/49/60/16/507496016.db2.gz FFHMEDJANXWKBU-IYARVYRRSA-N 1 1 371.437 3.304 20 5 FGBDMO COc1cccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)n1 ZINC000592130358 507496022 /nfs/dbraw/zinc/49/60/22/507496022.db2.gz FFHMEDJANXWKBU-IYARVYRRSA-N 1 1 371.437 3.304 20 5 FGBDMO C[N@H+]1CCC[C@@H]1CCN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592133044 507498733 /nfs/dbraw/zinc/49/87/33/507498733.db2.gz RUZUPQOSOWYIIL-GUDVDZBRSA-N 1 1 361.486 3.185 20 5 FGBDMO Cc1noc(C[NH+]2CCC(n3c(C)nc4ccccc43)CC2)c1[N+](=O)[O-] ZINC000595463668 507512117 /nfs/dbraw/zinc/51/21/17/507512117.db2.gz CBUYUTDMQMDNOH-UHFFFAOYSA-N 1 1 355.398 3.386 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)cc1C(F)(F)F ZINC000611132630 507528354 /nfs/dbraw/zinc/52/83/54/507528354.db2.gz QHGHYNIROBOWGH-AWEZNQCLSA-N 1 1 373.375 3.305 20 5 FGBDMO O=C(CC[N@H+]1CCC[C@H](c2ccccn2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595502450 507532166 /nfs/dbraw/zinc/53/21/66/507532166.db2.gz USXFOIVURLPRTJ-HNNXBMFYSA-N 1 1 354.410 3.198 20 5 FGBDMO CCCN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CC[N@@H+](C)C1 ZINC000592220539 507539020 /nfs/dbraw/zinc/53/90/20/507539020.db2.gz CMOBOKBGUSYRBH-LBPRGKRZSA-N 1 1 372.372 3.144 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000595514402 507540457 /nfs/dbraw/zinc/54/04/57/507540457.db2.gz FNWVGADWVGAJRJ-UHFFFAOYSA-N 1 1 371.441 3.455 20 5 FGBDMO CC[N@H+]1CCCN(Cc2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000595536737 507548550 /nfs/dbraw/zinc/54/85/50/507548550.db2.gz UONQGVQHBASBNI-LBPRGKRZSA-N 1 1 356.264 3.273 20 5 FGBDMO CC(C)c1[nH+]ccn1CC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000602107471 507594336 /nfs/dbraw/zinc/59/43/36/507594336.db2.gz FSWGVTYIOWECCS-KRWDZBQOSA-N 1 1 360.439 3.189 20 5 FGBDMO CN(C)c1cccc(C[N@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000611276044 507601036 /nfs/dbraw/zinc/60/10/36/507601036.db2.gz DSIZZNRPGZRJKA-UHFFFAOYSA-N 1 1 357.410 3.064 20 5 FGBDMO CN(C)c1cccc(C[N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000611276044 507601041 /nfs/dbraw/zinc/60/10/41/507601041.db2.gz DSIZZNRPGZRJKA-UHFFFAOYSA-N 1 1 357.410 3.064 20 5 FGBDMO CC(C)N1CC[NH+](C2CCN(C/C=C\c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000611276033 507601056 /nfs/dbraw/zinc/60/10/56/507601056.db2.gz AWXMWXZWNXGEDT-ALCCZGGFSA-N 1 1 372.513 3.098 20 5 FGBDMO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000611319723 507619636 /nfs/dbraw/zinc/61/96/36/507619636.db2.gz HQZZMCPFIBRTAE-CQSZACIVSA-N 1 1 350.415 3.015 20 5 FGBDMO C[C@H]([NH2+]Cc1nnnn1C1CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000611336509 507627308 /nfs/dbraw/zinc/62/73/08/507627308.db2.gz MXDZXECUOZTHTD-NSHDSACASA-N 1 1 370.438 3.496 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)[C@H]2CCCC[C@@H]12 ZINC000595732164 507653498 /nfs/dbraw/zinc/65/34/98/507653498.db2.gz OLXDWQUOEVLBNM-BBWFWOEESA-N 1 1 362.426 3.157 20 5 FGBDMO COC(=O)[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]2CCCC[C@@H]12 ZINC000595734585 507656253 /nfs/dbraw/zinc/65/62/53/507656253.db2.gz UGFGLTRMQICEJG-JJRVBVJISA-N 1 1 372.425 3.025 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]2CCCC[C@@H]12 ZINC000595734585 507656257 /nfs/dbraw/zinc/65/62/57/507656257.db2.gz UGFGLTRMQICEJG-JJRVBVJISA-N 1 1 372.425 3.025 20 5 FGBDMO COC(=O)[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H]2CCCC[C@H]12 ZINC000595740193 507657186 /nfs/dbraw/zinc/65/71/86/507657186.db2.gz VZPVGSWHVQLRJQ-XJKCOSOUSA-N 1 1 350.390 3.288 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H]2CCCC[C@H]12 ZINC000595740193 507657196 /nfs/dbraw/zinc/65/71/96/507657196.db2.gz VZPVGSWHVQLRJQ-XJKCOSOUSA-N 1 1 350.390 3.288 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CCF)C1 ZINC000595755730 507670426 /nfs/dbraw/zinc/67/04/26/507670426.db2.gz OZAPBUPTVNXMIK-QWHCGFSZSA-N 1 1 353.394 3.002 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](CCF)C1 ZINC000595755730 507670433 /nfs/dbraw/zinc/67/04/33/507670433.db2.gz OZAPBUPTVNXMIK-QWHCGFSZSA-N 1 1 353.394 3.002 20 5 FGBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000595781965 507681678 /nfs/dbraw/zinc/68/16/78/507681678.db2.gz XLJKXHDXHTZYTL-KRWDZBQOSA-N 1 1 374.485 3.186 20 5 FGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000595784525 507683403 /nfs/dbraw/zinc/68/34/03/507683403.db2.gz AXERGSJDLUTCSW-KSSFIOAISA-N 1 1 361.442 3.203 20 5 FGBDMO Cn1cc(C[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)c([N+](=O)[O-])n1 ZINC000602433417 507710929 /nfs/dbraw/zinc/71/09/29/507710929.db2.gz LBLDSUFAYJFXLE-LBPRGKRZSA-N 1 1 357.439 3.318 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@H](C(F)F)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000611550200 507733467 /nfs/dbraw/zinc/73/34/67/507733467.db2.gz RCXSITRGLVHNFI-VIFPVBQESA-N 1 1 366.311 3.334 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@H](C(F)F)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000611550200 507733474 /nfs/dbraw/zinc/73/34/74/507733474.db2.gz RCXSITRGLVHNFI-VIFPVBQESA-N 1 1 366.311 3.334 20 5 FGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826498034 608531812 /nfs/dbraw/zinc/53/18/12/608531812.db2.gz DZYMYWSEQBBLSY-UHFFFAOYSA-N 1 1 370.800 3.207 20 5 FGBDMO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000824531250 609155456 /nfs/dbraw/zinc/15/54/56/609155456.db2.gz OKVIBEXGUZZULN-WDEREUQCSA-N 1 1 356.361 3.326 20 5 FGBDMO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1cc([N+](=O)[O-])ccc1Cl ZINC000045262025 695818800 /nfs/dbraw/zinc/81/88/00/695818800.db2.gz ZCAWWHGRALTRHS-UHFFFAOYSA-N 1 1 359.813 3.036 20 5 FGBDMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1cc([N+](=O)[O-])ccc1Cl ZINC000045262025 695818802 /nfs/dbraw/zinc/81/88/02/695818802.db2.gz ZCAWWHGRALTRHS-UHFFFAOYSA-N 1 1 359.813 3.036 20 5 FGBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000137009566 704866551 /nfs/dbraw/zinc/86/65/51/704866551.db2.gz WBAOBJMZGLKKIL-GOSISDBHSA-N 1 1 361.829 3.104 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000139595444 704877949 /nfs/dbraw/zinc/87/79/49/704877949.db2.gz VVGLQNITMYKJMC-CYBMUJFWSA-N 1 1 353.850 3.346 20 5 FGBDMO O=C(C1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1)N1CCCC1 ZINC000153336174 704994330 /nfs/dbraw/zinc/99/43/30/704994330.db2.gz RGBCYISCIFQNHL-UHFFFAOYSA-N 1 1 351.834 3.083 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000162209068 705291352 /nfs/dbraw/zinc/29/13/52/705291352.db2.gz XNJLWGQXCWTOPY-ZIAGYGMSSA-N 1 1 354.248 3.074 20 5 FGBDMO Cc1cc(F)cc(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000176762457 705589614 /nfs/dbraw/zinc/58/96/14/705589614.db2.gz HRZRVNUYRIOSNX-BETUJISGSA-N 1 1 351.422 3.140 20 5 FGBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000182096634 705825638 /nfs/dbraw/zinc/82/56/38/705825638.db2.gz QFIAPWKIBLMBPJ-CYBMUJFWSA-N 1 1 361.829 3.499 20 5 FGBDMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000195240501 713550128 /nfs/dbraw/zinc/55/01/28/713550128.db2.gz WMYWUYLEWNHZQA-ZIAGYGMSSA-N 1 1 351.422 3.251 20 5 FGBDMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000195240501 713550130 /nfs/dbraw/zinc/55/01/30/713550130.db2.gz WMYWUYLEWNHZQA-ZIAGYGMSSA-N 1 1 351.422 3.251 20 5 FGBDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000195240514 713550306 /nfs/dbraw/zinc/55/03/06/713550306.db2.gz WMYWUYLEWNHZQA-UONOGXRCSA-N 1 1 351.422 3.251 20 5 FGBDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000195240514 713550309 /nfs/dbraw/zinc/55/03/09/713550309.db2.gz WMYWUYLEWNHZQA-UONOGXRCSA-N 1 1 351.422 3.251 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000524890252 714308207 /nfs/dbraw/zinc/30/82/07/714308207.db2.gz XQIUQOWNJZOCRO-LZWOXQAQSA-N 1 1 365.499 3.407 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)OCC[NH+]1CCSCC1 ZINC000780422405 724465206 /nfs/dbraw/zinc/46/52/06/724465206.db2.gz BZWPVPQNRAYGFP-UHFFFAOYSA-N 1 1 370.496 3.303 20 5 FGBDMO Cc1nc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)ccc1[N+](=O)[O-] ZINC001164627542 719055290 /nfs/dbraw/zinc/05/52/90/719055290.db2.gz VVQBQLUZLDBNAA-IEBWSBKVSA-N 1 1 352.438 3.399 20 5 FGBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC001164636425 719248715 /nfs/dbraw/zinc/24/87/15/719248715.db2.gz SRXUBVPNLRHTLG-RYUDHWBXSA-N 1 1 361.833 3.234 20 5 FGBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164724687 720366772 /nfs/dbraw/zinc/36/67/72/720366772.db2.gz KNHZYJYYYVCYTF-HOTGVXAUSA-N 1 1 373.844 3.200 20 5 FGBDMO Cc1ncc([N+](=O)[O-])c(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164993624 722198488 /nfs/dbraw/zinc/19/84/88/722198488.db2.gz FTIXXMIVUYEWRP-LJQANCHMSA-N 1 1 371.416 3.077 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000746276649 722596825 /nfs/dbraw/zinc/59/68/25/722596825.db2.gz YMHUGEAYJQWMDV-CYBMUJFWSA-N 1 1 353.850 3.346 20 5 FGBDMO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000754511762 722940541 /nfs/dbraw/zinc/94/05/41/722940541.db2.gz UIFJRETYCUIALA-MRXNPFEDSA-N 1 1 370.833 3.085 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCCCC[C@H]2CCO)ccc1Br ZINC000792927730 723383310 /nfs/dbraw/zinc/38/33/10/723383310.db2.gz QZVOCBUKUKWVCD-ZDUSSCGKSA-N 1 1 357.248 3.484 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCCCC[C@H]2CCO)ccc1Br ZINC000792927730 723383315 /nfs/dbraw/zinc/38/33/15/723383315.db2.gz QZVOCBUKUKWVCD-ZDUSSCGKSA-N 1 1 357.248 3.484 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCn1cc[nH+]c1C(C)C ZINC000764022961 723385825 /nfs/dbraw/zinc/38/58/25/723385825.db2.gz WSJBDOSUVJZLSW-UHFFFAOYSA-N 1 1 362.455 3.457 20 5 FGBDMO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000764798892 723447487 /nfs/dbraw/zinc/44/74/87/723447487.db2.gz XGIOBCRLQIVHHP-HNNXBMFYSA-N 1 1 366.849 3.064 20 5 FGBDMO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000796301512 723631523 /nfs/dbraw/zinc/63/15/23/723631523.db2.gz ARAFKSDOOMSVRK-IAQYHMDHSA-N 1 1 360.332 3.392 20 5 FGBDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000796386748 723635804 /nfs/dbraw/zinc/63/58/04/723635804.db2.gz VOKRZZIMXVKBIT-JSGCOSHPSA-N 1 1 369.849 3.202 20 5 FGBDMO CC(C)CNC(=O)C1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000768543739 723661225 /nfs/dbraw/zinc/66/12/25/723661225.db2.gz GPCSCOQKUYKGGG-UHFFFAOYSA-N 1 1 353.850 3.232 20 5 FGBDMO O=[N+]([O-])c1ccc(NC(=S)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000772815619 723768926 /nfs/dbraw/zinc/76/89/26/723768926.db2.gz DTSGHPDMPVYNGZ-CXAGYDPISA-N 1 1 360.483 3.240 20 5 FGBDMO C[N@@H+](CCC1CCOCC1)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774639362 723913172 /nfs/dbraw/zinc/91/31/72/723913172.db2.gz KPYXYNYFTGFKHH-UHFFFAOYSA-N 1 1 352.822 3.304 20 5 FGBDMO CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000798964420 723981005 /nfs/dbraw/zinc/98/10/05/723981005.db2.gz PYFIPVTZVCPKLM-KRWDZBQOSA-N 1 1 370.833 3.040 20 5 FGBDMO CCOC(=O)[C@@]1(COC)CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000798964420 723981006 /nfs/dbraw/zinc/98/10/06/723981006.db2.gz PYFIPVTZVCPKLM-KRWDZBQOSA-N 1 1 370.833 3.040 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000778287392 724318681 /nfs/dbraw/zinc/31/86/81/724318681.db2.gz KBRDYMWELGTFNQ-IUODEOHRSA-N 1 1 355.385 3.018 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)OCCSc2ccc([N+](=O)[O-])cc2)C1 ZINC000810668681 725321620 /nfs/dbraw/zinc/32/16/20/725321620.db2.gz XMNKAAJXFQVGTA-KRWDZBQOSA-N 1 1 370.446 3.443 20 5 FGBDMO O=C(O[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000810836878 725329998 /nfs/dbraw/zinc/32/99/98/725329998.db2.gz CVTKSRFRHJVFSI-TZMCWYRMSA-N 1 1 358.316 3.397 20 5 FGBDMO O=C(/C=C\c1cccs1)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813174468 726846613 /nfs/dbraw/zinc/84/66/13/726846613.db2.gz UGYMZFZNMPQBFA-WLMCBFPDSA-N 1 1 358.419 3.487 20 5 FGBDMO O=C(/C=C\c1cccs1)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813174468 726846617 /nfs/dbraw/zinc/84/66/17/726846617.db2.gz UGYMZFZNMPQBFA-WLMCBFPDSA-N 1 1 358.419 3.487 20 5 FGBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000813428368 726875214 /nfs/dbraw/zinc/87/52/14/726875214.db2.gz XSDFFXHYSABDTO-SNVBAGLBSA-N 1 1 360.241 3.363 20 5 FGBDMO C[C@H]1C[C@@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000813475782 726882645 /nfs/dbraw/zinc/88/26/45/726882645.db2.gz GKGFPXMNJUHICO-WCBMZHEXSA-N 1 1 358.225 3.257 20 5 FGBDMO C[N@H+]1CCC[C@]2(CCN(Cc3c(Br)cccc3[N+](=O)[O-])C2)C1 ZINC000816642433 727183912 /nfs/dbraw/zinc/18/39/12/727183912.db2.gz ZJASOZBFGAXFRU-INIZCTEOSA-N 1 1 368.275 3.275 20 5 FGBDMO 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ZINC000838150366 730094404 /nfs/dbraw/zinc/09/44/04/730094404.db2.gz SZIVNMKSUVARBP-JTQLQIEISA-N 1 1 360.241 3.363 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@@]4(CC4(F)F)C3)n2)cc1 ZINC000844434569 730717260 /nfs/dbraw/zinc/71/72/60/730717260.db2.gz ABOKFTIUTRTTFB-OAHLLOKOSA-N 1 1 350.325 3.266 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@]4(CC4(F)F)C3)n2)cc1 ZINC000844434569 730717262 /nfs/dbraw/zinc/71/72/62/730717262.db2.gz ABOKFTIUTRTTFB-OAHLLOKOSA-N 1 1 350.325 3.266 20 5 FGBDMO Cc1c(Br)cc(C(=O)OCC[C@@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000847824167 731096927 /nfs/dbraw/zinc/09/69/27/731096927.db2.gz OZTXVFBEIGEZFZ-NSHDSACASA-N 1 1 371.231 3.164 20 5 FGBDMO Cc1cnc(CC[N@@H+](C)Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)s1 ZINC000848482482 731170259 /nfs/dbraw/zinc/17/02/59/731170259.db2.gz NLUVDLUEOHUJAJ-UHFFFAOYSA-N 1 1 357.439 3.355 20 5 FGBDMO Cc1cnc(CC[N@H+](C)Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)s1 ZINC000848482482 731170260 /nfs/dbraw/zinc/17/02/60/731170260.db2.gz NLUVDLUEOHUJAJ-UHFFFAOYSA-N 1 1 357.439 3.355 20 5 FGBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+](CCOCCO)C1CCC1 ZINC000852291358 731565361 /nfs/dbraw/zinc/56/53/61/731565361.db2.gz VOLFOJCNMQSNBN-UHFFFAOYSA-N 1 1 363.241 3.265 20 5 FGBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+](CCOCCO)C1CCC1 ZINC000852291358 731565363 /nfs/dbraw/zinc/56/53/63/731565363.db2.gz VOLFOJCNMQSNBN-UHFFFAOYSA-N 1 1 363.241 3.265 20 5 FGBDMO CCC1(CC)C[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)CCS1 ZINC000853507480 731715325 /nfs/dbraw/zinc/71/53/25/731715325.db2.gz QTUFELLVCPQGEX-UHFFFAOYSA-N 1 1 361.471 3.418 20 5 FGBDMO CCC1(CC)C[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)CCS1 ZINC000853507480 731715328 /nfs/dbraw/zinc/71/53/28/731715328.db2.gz QTUFELLVCPQGEX-UHFFFAOYSA-N 1 1 361.471 3.418 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000854184728 731802492 /nfs/dbraw/zinc/80/24/92/731802492.db2.gz HWPBLYJLAUAASG-LLVKDONJSA-N 1 1 354.838 3.490 20 5 FGBDMO 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/nfs/dbraw/zinc/13/05/50/744130550.db2.gz NHTJGLDGYRSCFT-UHFFFAOYSA-N 1 1 368.865 3.023 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000906787696 744159617 /nfs/dbraw/zinc/15/96/17/744159617.db2.gz BAZOZNYTRRYYMS-GUYCJALGSA-N 1 1 367.877 3.370 20 5 FGBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000929210659 760339022 /nfs/dbraw/zinc/33/90/22/760339022.db2.gz BKNWCNAEKLYDSG-CYBMUJFWSA-N 1 1 366.849 3.444 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)c([N+](=O)[O-])c1 ZINC000931910257 761000013 /nfs/dbraw/zinc/00/00/13/761000013.db2.gz CKQAHUKMDOCLQO-LBPRGKRZSA-N 1 1 363.267 3.369 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)c([N+](=O)[O-])c1 ZINC000931910257 761000024 /nfs/dbraw/zinc/00/00/24/761000024.db2.gz CKQAHUKMDOCLQO-LBPRGKRZSA-N 1 1 363.267 3.369 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2SC)[C@@H](C)C1 ZINC000933440037 761390793 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MAPGPDHHNYMMDQ-DNVCBOLYSA-N 1 1 353.422 3.214 20 5 FGBDMO C[C@@H](C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000571143172 505663464 /nfs/dbraw/zinc/66/34/64/505663464.db2.gz MAPGPDHHNYMMDQ-DNVCBOLYSA-N 1 1 353.422 3.214 20 5 FGBDMO CC(C)NC(=O)c1ccc(NCC[NH+]2Cc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000068321538 493797414 /nfs/dbraw/zinc/79/74/14/493797414.db2.gz UUAVXNDYVQFAPW-UHFFFAOYSA-N 1 1 368.437 3.161 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000081122139 493835753 /nfs/dbraw/zinc/83/57/53/493835753.db2.gz OXHJEMYBNOJXHZ-GOSISDBHSA-N 1 1 353.422 3.250 20 5 FGBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cccc2c1C[N@@H+](CCC(C)C)C2 ZINC000076170887 493835839 /nfs/dbraw/zinc/83/58/39/493835839.db2.gz IOIWYLUBGCZXQK-UHFFFAOYSA-N 1 1 371.441 3.100 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000081127575 493837307 /nfs/dbraw/zinc/83/73/07/493837307.db2.gz LSHDSKNQBJYCRJ-INIZCTEOSA-N 1 1 357.385 3.080 20 5 FGBDMO COc1ccc([C@H]2CCC[N@H+]2C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000058422020 493851603 /nfs/dbraw/zinc/85/16/03/493851603.db2.gz JBNJDFVYSPSZSR-FXAWDEMLSA-N 1 1 372.421 3.180 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000076388416 493880638 /nfs/dbraw/zinc/88/06/38/493880638.db2.gz MEKDBEIEDNRMJI-MRXNPFEDSA-N 1 1 353.422 3.331 20 5 FGBDMO CC(=O)c1ccc(Nc2cccc(C[NH+]3CCOCC3)c2)c([N+](=O)[O-])c1 ZINC000068938020 493898295 /nfs/dbraw/zinc/89/82/95/493898295.db2.gz MCXICTVRQPPCBR-UHFFFAOYSA-N 1 1 355.394 3.373 20 5 FGBDMO Cc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000076494287 493905705 /nfs/dbraw/zinc/90/57/05/493905705.db2.gz BMFXZYHYZGNJFY-MRXNPFEDSA-N 1 1 353.422 3.250 20 5 FGBDMO Cc1ccc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000076494287 493905708 /nfs/dbraw/zinc/90/57/08/493905708.db2.gz BMFXZYHYZGNJFY-MRXNPFEDSA-N 1 1 353.422 3.250 20 5 FGBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000031766584 493959564 /nfs/dbraw/zinc/95/95/64/493959564.db2.gz HCPFVLRCQKPOEB-UHFFFAOYSA-N 1 1 353.422 3.251 20 5 FGBDMO COc1ccc(CN2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000051377646 493965558 /nfs/dbraw/zinc/96/55/58/493965558.db2.gz XCIKPEGTBGTSTD-UHFFFAOYSA-N 1 1 373.428 3.450 20 5 FGBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000076925963 493990524 /nfs/dbraw/zinc/99/05/24/493990524.db2.gz KNPSKPRCQCVWOB-QWHCGFSZSA-N 1 1 362.455 3.033 20 5 FGBDMO Cc1cccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)c1 ZINC000032499524 493994035 /nfs/dbraw/zinc/99/40/35/493994035.db2.gz UCVNVOVQIVSATF-UHFFFAOYSA-N 1 1 353.422 3.170 20 5 FGBDMO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)N1 ZINC000007126513 494002349 /nfs/dbraw/zinc/00/23/49/494002349.db2.gz QPYXJTDZQPGLQG-KRWDZBQOSA-N 1 1 374.360 3.301 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)Cc1cccc(F)c1 ZINC000007420357 494021114 /nfs/dbraw/zinc/02/11/14/494021114.db2.gz ITHSPBNSJDNAPZ-LBPRGKRZSA-N 1 1 361.373 3.202 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)Cc1cccc(F)c1 ZINC000007420357 494021115 /nfs/dbraw/zinc/02/11/15/494021115.db2.gz ITHSPBNSJDNAPZ-LBPRGKRZSA-N 1 1 361.373 3.202 20 5 FGBDMO O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CC[NH+](CC2CC2)CC1 ZINC000052472647 494029073 /nfs/dbraw/zinc/02/90/73/494029073.db2.gz HHNKLVDEVPOZTL-UHFFFAOYSA-N 1 1 374.319 3.054 20 5 FGBDMO COc1ccc(C)cc1C[NH+]1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000007876260 494048516 /nfs/dbraw/zinc/04/85/16/494048516.db2.gz PVJYCAVZWLWDPW-UHFFFAOYSA-N 1 1 355.438 3.230 20 5 FGBDMO Cc1[nH+]ccn1-c1ccccc1CNc1nc2sccn2c1[N+](=O)[O-] ZINC000064337400 494115155 /nfs/dbraw/zinc/11/51/55/494115155.db2.gz NGVSMOCJTVJPAK-UHFFFAOYSA-N 1 1 354.395 3.410 20 5 FGBDMO Cc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000054227196 494210385 /nfs/dbraw/zinc/21/03/85/494210385.db2.gz PEKIKHUQTHUYNH-MAUKXSAKSA-N 1 1 353.422 3.469 20 5 FGBDMO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(=O)Nc1cccc(Cl)c1 ZINC000065534048 494211070 /nfs/dbraw/zinc/21/10/70/494211070.db2.gz DZKBPJHVOOYYTR-UHFFFAOYSA-N 1 1 363.801 3.198 20 5 FGBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(=O)Nc1cccc(Cl)c1 ZINC000065534048 494211073 /nfs/dbraw/zinc/21/10/73/494211073.db2.gz DZKBPJHVOOYYTR-UHFFFAOYSA-N 1 1 363.801 3.198 20 5 FGBDMO Cc1c(C[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)cccc1[N+](=O)[O-] ZINC000054364268 494225642 /nfs/dbraw/zinc/22/56/42/494225642.db2.gz RYJUTUGDJWEDDV-UHFFFAOYSA-N 1 1 359.451 3.313 20 5 FGBDMO Cc1c(C[N@H+]2CCCN(C(=O)c3ccsc3)CC2)cccc1[N+](=O)[O-] ZINC000054364268 494225644 /nfs/dbraw/zinc/22/56/44/494225644.db2.gz RYJUTUGDJWEDDV-UHFFFAOYSA-N 1 1 359.451 3.313 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCOC2(CCCCC2)C1 ZINC000072716607 494238382 /nfs/dbraw/zinc/23/83/82/494238382.db2.gz OQESYQCYFLONSD-UHFFFAOYSA-N 1 1 361.442 3.267 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)CCc1cccs1 ZINC000072800947 494253375 /nfs/dbraw/zinc/25/33/75/494253375.db2.gz YDEFIBPOIJJMTN-GFCCVEGCSA-N 1 1 363.439 3.166 20 5 FGBDMO CC[C@H]1CCCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000078257794 494264219 /nfs/dbraw/zinc/26/42/19/494264219.db2.gz NHGWMRHMLXNIIT-AWEZNQCLSA-N 1 1 362.430 3.228 20 5 FGBDMO O=c1cc(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c2c(ccc3ccccc32)o1 ZINC000089154431 494270932 /nfs/dbraw/zinc/27/09/32/494270932.db2.gz WWGKYFUKECJCDD-ICSRJNTNSA-N 1 1 365.429 3.326 20 5 FGBDMO O=c1cc(C[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c2c(ccc3ccccc32)o1 ZINC000089154431 494270935 /nfs/dbraw/zinc/27/09/35/494270935.db2.gz WWGKYFUKECJCDD-ICSRJNTNSA-N 1 1 365.429 3.326 20 5 FGBDMO C[C@H](CCc1ccccc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000055903045 494425139 /nfs/dbraw/zinc/42/51/39/494425139.db2.gz JOMNRXZPMXFUTO-OAHLLOKOSA-N 1 1 373.478 3.435 20 5 FGBDMO COc1ccc(C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C2CC2)cc1 ZINC000090519094 494476240 /nfs/dbraw/zinc/47/62/40/494476240.db2.gz ZMCDVQQYRMTLOV-HNNXBMFYSA-N 1 1 371.437 3.066 20 5 FGBDMO COc1ccc(C[C@H](C)C[N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000090620675 494489351 /nfs/dbraw/zinc/48/93/51/494489351.db2.gz WFDAXBGDQOTGDM-HNNXBMFYSA-N 1 1 371.437 3.353 20 5 FGBDMO COc1cccc([C@@H](C)[NH+]2CCN(c3cc(C)c([N+](=O)[O-])cn3)CC2)c1 ZINC000074747972 494590823 /nfs/dbraw/zinc/59/08/23/494590823.db2.gz FKQMRPLFAAVATH-OAHLLOKOSA-N 1 1 356.426 3.190 20 5 FGBDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000046980443 494602663 /nfs/dbraw/zinc/60/26/63/494602663.db2.gz ZUVRWEQAEIBJLS-AWEZNQCLSA-N 1 1 356.426 3.085 20 5 FGBDMO CCC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCc2ccccc2C1 ZINC000115816951 494628932 /nfs/dbraw/zinc/62/89/32/494628932.db2.gz BSTJLPQBHYNERB-IBGZPJMESA-N 1 1 367.449 3.463 20 5 FGBDMO CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000568597549 505732624 /nfs/dbraw/zinc/73/26/24/505732624.db2.gz UQFHNPXKKFGMEH-AWEZNQCLSA-N 1 1 367.409 3.140 20 5 FGBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000080203158 494637386 /nfs/dbraw/zinc/63/73/86/494637386.db2.gz GJQIEQLSTYDQLH-LBPRGKRZSA-N 1 1 359.348 3.218 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000121290728 494685013 /nfs/dbraw/zinc/68/50/13/494685013.db2.gz XTFWKZRUYQNWMH-NSHDSACASA-N 1 1 352.341 3.299 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000121290728 494685019 /nfs/dbraw/zinc/68/50/19/494685019.db2.gz XTFWKZRUYQNWMH-NSHDSACASA-N 1 1 352.341 3.299 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000047866088 494784311 /nfs/dbraw/zinc/78/43/11/494784311.db2.gz RJMPXVMTRJPTRL-NSHDSACASA-N 1 1 372.372 3.192 20 5 FGBDMO C[N@@H+](CCN1CCCC1=O)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000093320300 494868831 /nfs/dbraw/zinc/86/88/31/494868831.db2.gz BOWAZLNCVLNBTF-UHFFFAOYSA-N 1 1 359.451 3.378 20 5 FGBDMO COC(=O)[C@H](C)Oc1ccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000093338401 494873789 /nfs/dbraw/zinc/87/37/89/494873789.db2.gz DGDVRNJCWOQRLB-AWEZNQCLSA-N 1 1 370.405 3.093 20 5 FGBDMO COC(=O)[C@H](C)Oc1ccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000093338401 494873794 /nfs/dbraw/zinc/87/37/94/494873794.db2.gz DGDVRNJCWOQRLB-AWEZNQCLSA-N 1 1 370.405 3.093 20 5 FGBDMO CNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000093360576 494877959 /nfs/dbraw/zinc/87/79/59/494877959.db2.gz QZCNIIKRDVDOHN-AWEZNQCLSA-N 1 1 359.451 3.281 20 5 FGBDMO COC1CCC([N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000093414825 494888997 /nfs/dbraw/zinc/88/89/97/494888997.db2.gz ZDDIDABZFNHGEJ-UHFFFAOYSA-N 1 1 358.442 3.385 20 5 FGBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCc2ccsc2C1 ZINC000132551024 494891619 /nfs/dbraw/zinc/89/16/19/494891619.db2.gz VGVZFTWSKNXIDH-UHFFFAOYSA-N 1 1 359.407 3.013 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCCNc1ncc([N+](=O)[O-])cc1Br ZINC000093433822 494891676 /nfs/dbraw/zinc/89/16/76/494891676.db2.gz XAEBLMXGKVHQEG-LLVKDONJSA-N 1 1 357.252 3.429 20 5 FGBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CCc1ccc(F)cc1 ZINC000117336480 494911584 /nfs/dbraw/zinc/91/15/84/494911584.db2.gz PYGFHQQHEDVYQT-UHFFFAOYSA-N 1 1 373.384 3.206 20 5 FGBDMO COc1cc(CN2CCC([N@H+]3CCC[C@H]3C)CC2)c([N+](=O)[O-])cc1OC ZINC000093715634 494915211 /nfs/dbraw/zinc/91/52/11/494915211.db2.gz MRJIXYRSMWGIID-CQSZACIVSA-N 1 1 363.458 3.061 20 5 FGBDMO COC(=O)[C@@]1(C)CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000093813452 494923905 /nfs/dbraw/zinc/92/39/05/494923905.db2.gz XRRXRPMGLVTGAK-KRWDZBQOSA-N 1 1 361.423 3.103 20 5 FGBDMO COC(=O)[C@@]1(C)CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000093813452 494923909 /nfs/dbraw/zinc/92/39/09/494923909.db2.gz XRRXRPMGLVTGAK-KRWDZBQOSA-N 1 1 361.423 3.103 20 5 FGBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000117772356 494954796 /nfs/dbraw/zinc/95/47/96/494954796.db2.gz VSGGKBLVRXDGKK-CYBMUJFWSA-N 1 1 353.850 3.027 20 5 FGBDMO 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CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1(C)C ZINC000120504895 495393855 /nfs/dbraw/zinc/39/38/55/495393855.db2.gz LBCWDEHYXFBURL-CVEARBPZSA-N 1 1 350.415 3.097 20 5 FGBDMO Cc1c(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000114644851 495403902 /nfs/dbraw/zinc/40/39/02/495403902.db2.gz DMPBSPPZHIJYKU-KRWDZBQOSA-N 1 1 353.422 3.298 20 5 FGBDMO CC[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)C1 ZINC000137591289 495446930 /nfs/dbraw/zinc/44/69/30/495446930.db2.gz ZMUOHZHEGHRAJV-CQSZACIVSA-N 1 1 365.499 3.415 20 5 FGBDMO COc1cccc(CNC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000138400210 495461150 /nfs/dbraw/zinc/46/11/50/495461150.db2.gz UQSRMUVHCFLIOL-UHFFFAOYSA-N 1 1 371.437 3.130 20 5 FGBDMO COc1cccc(CNC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000138400210 495461152 /nfs/dbraw/zinc/46/11/52/495461152.db2.gz UQSRMUVHCFLIOL-UHFFFAOYSA-N 1 1 371.437 3.130 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@H](CN4CCOCC4)C3)o2)cc1 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/nfs/dbraw/zinc/51/86/92/495518692.db2.gz MPCBQCMCQSKJPS-QGZVFWFLSA-N 1 1 362.813 3.046 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CC[C@H]1CCCC[N@@H+]1C ZINC000173638302 495626627 /nfs/dbraw/zinc/62/66/27/495626627.db2.gz RVBHAIMMQNKGAN-MRXNPFEDSA-N 1 1 362.474 3.038 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CC[C@H]1CCCC[N@H+]1C ZINC000173638302 495626629 /nfs/dbraw/zinc/62/66/29/495626629.db2.gz RVBHAIMMQNKGAN-MRXNPFEDSA-N 1 1 362.474 3.038 20 5 FGBDMO CC1(C)CN(C(=O)c2csc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000170901975 495647907 /nfs/dbraw/zinc/64/79/07/495647907.db2.gz ZXYSRNYCUAOSAK-UHFFFAOYSA-N 1 1 359.451 3.393 20 5 FGBDMO CC1(C)CN(C(=O)c2csc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000170901975 495647910 /nfs/dbraw/zinc/64/79/10/495647910.db2.gz ZXYSRNYCUAOSAK-UHFFFAOYSA-N 1 1 359.451 3.393 20 5 FGBDMO CCOc1ccc(NC(=O)C[NH2+]C2(c3cccc(F)c3)CC2)c([N+](=O)[O-])c1 ZINC000179701206 495697295 /nfs/dbraw/zinc/69/72/95/495697295.db2.gz UMIDBFDLNSMYOT-UHFFFAOYSA-N 1 1 373.384 3.350 20 5 FGBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182834919 495720843 /nfs/dbraw/zinc/72/08/43/495720843.db2.gz OIVTYFCVDNSXKG-AAEUAGOBSA-N 1 1 371.890 3.139 20 5 FGBDMO C[C@@H]1CCC[N@H+]1C1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000154922394 495773025 /nfs/dbraw/zinc/77/30/25/495773025.db2.gz VTOAFOQEXIBMKX-LLVKDONJSA-N 1 1 369.263 3.205 20 5 FGBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000151384464 495822044 /nfs/dbraw/zinc/82/20/44/495822044.db2.gz OIFNIHPSNYADIP-AWEZNQCLSA-N 1 1 371.441 3.110 20 5 FGBDMO CSc1ccc(C(=O)N2CC[N@H+](C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000171481602 495896077 /nfs/dbraw/zinc/89/60/77/495896077.db2.gz QNKFGQXIABIOMI-UHFFFAOYSA-N 1 1 357.435 3.409 20 5 FGBDMO CSc1ccc(C(=O)N2CC[N@@H+](C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000171481602 495896080 /nfs/dbraw/zinc/89/60/80/495896080.db2.gz QNKFGQXIABIOMI-UHFFFAOYSA-N 1 1 357.435 3.409 20 5 FGBDMO Cc1cc(N2CC[C@]3(C2)CCC[N@H+](C)C3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000571770635 505811329 /nfs/dbraw/zinc/81/13/29/505811329.db2.gz AKWNLROIONGDBS-HXUWFJFHSA-N 1 1 367.453 3.282 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]C(C)(C)C(=O)NCC1CCCCC1 ZINC000155351509 495929780 /nfs/dbraw/zinc/92/97/80/495929780.db2.gz PMTNRYMXGVBHDB-UHFFFAOYSA-N 1 1 363.458 3.168 20 5 FGBDMO COc1cc(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000160343432 495941548 /nfs/dbraw/zinc/94/15/48/495941548.db2.gz OYOBRHISKRROEH-UHFFFAOYSA-N 1 1 371.437 3.374 20 5 FGBDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2c2ccc([N+](=O)[O-])c3cnccc32)C[C@H](C)O1 ZINC000160492929 495974807 /nfs/dbraw/zinc/97/48/07/495974807.db2.gz KHYSQNDZWFWXDY-XHSDSOJGSA-N 1 1 370.453 3.221 20 5 FGBDMO C[C@@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)c1cccc([N+](=O)[O-])c1 ZINC000180408858 495984173 /nfs/dbraw/zinc/98/41/73/495984173.db2.gz VVLGNUVDIRCOLF-LLVKDONJSA-N 1 1 358.785 3.107 20 5 FGBDMO C[NH+](C)[C@H](CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000160905495 496064670 /nfs/dbraw/zinc/06/46/70/496064670.db2.gz RTMIQXIEYGUVAK-QGZVFWFLSA-N 1 1 374.441 3.113 20 5 FGBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000180721433 496119320 /nfs/dbraw/zinc/11/93/20/496119320.db2.gz HBIUABUEVIACIS-CQSZACIVSA-N 1 1 351.472 3.309 20 5 FGBDMO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1cc(Cl)ccc1[N+](=O)[O-])CC2 ZINC000174873041 496142365 /nfs/dbraw/zinc/14/23/65/496142365.db2.gz UVNYAZZPKYHJQF-HZPDHXFCSA-N 1 1 354.834 3.000 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000180812324 496156593 /nfs/dbraw/zinc/15/65/93/496156593.db2.gz FDUZJVINURHXNU-CYBMUJFWSA-N 1 1 363.483 3.309 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](Cc1ccccn1)C1CC1 ZINC000180871985 496180941 /nfs/dbraw/zinc/18/09/41/496180941.db2.gz JVDIJIYDXCESMC-UHFFFAOYSA-N 1 1 354.410 3.291 20 5 FGBDMO COc1cc(C[NH2+]Cc2ccc(OC(C)(C)C)nc2)c([N+](=O)[O-])cc1O ZINC000180883556 496184772 /nfs/dbraw/zinc/18/47/72/496184772.db2.gz CARNZVKCPCIRTD-UHFFFAOYSA-N 1 1 361.398 3.171 20 5 FGBDMO CSc1ccc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C(C)C)cc1[N+](=O)[O-] ZINC000174983576 496193533 /nfs/dbraw/zinc/19/35/33/496193533.db2.gz RHIXUVUHDHHYIH-LSDHHAIUSA-N 1 1 363.483 3.404 20 5 FGBDMO O=C(C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1)N1CCCCC1 ZINC000172176790 496195761 /nfs/dbraw/zinc/19/57/61/496195761.db2.gz RJVPXLBXJBGALW-UHFFFAOYSA-N 1 1 365.861 3.473 20 5 FGBDMO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000172177965 496197642 /nfs/dbraw/zinc/19/76/42/496197642.db2.gz IAHJGGZMTFCIKC-ZDUSSCGKSA-N 1 1 353.850 3.232 20 5 FGBDMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000172177965 496197647 /nfs/dbraw/zinc/19/76/47/496197647.db2.gz IAHJGGZMTFCIKC-ZDUSSCGKSA-N 1 1 353.850 3.232 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](CO)c1ccc(OC)cc1 ZINC000175230972 496301075 /nfs/dbraw/zinc/30/10/75/496301075.db2.gz VZXKADZIGJPUJQ-GOSISDBHSA-N 1 1 360.410 3.168 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H](CO)c1ccc(OC)cc1 ZINC000175230972 496301080 /nfs/dbraw/zinc/30/10/80/496301080.db2.gz VZXKADZIGJPUJQ-GOSISDBHSA-N 1 1 360.410 3.168 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)N2CCC[N@H+](C3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000172583638 496351409 /nfs/dbraw/zinc/35/14/09/496351409.db2.gz ALLGMWQWUWBSGN-MRXNPFEDSA-N 1 1 374.485 3.181 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000181545699 496439129 /nfs/dbraw/zinc/43/91/29/496439129.db2.gz PFDGWNLFJOJIFI-STQMWFEESA-N 1 1 363.483 3.450 20 5 FGBDMO CC(C)C(=O)NCC[N@@H+](C)Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000157306097 496450824 /nfs/dbraw/zinc/45/08/24/496450824.db2.gz SBVQFAYBVVIGPR-UHFFFAOYSA-N 1 1 352.434 3.150 20 5 FGBDMO C[N@H+](Cc1ccccc1)C[C@H](O)COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000153474774 496467598 /nfs/dbraw/zinc/46/75/98/496467598.db2.gz MZJCUSSGQSBZDF-HNNXBMFYSA-N 1 1 350.802 3.120 20 5 FGBDMO Cc1csc([C@H]([NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000181614897 496470048 /nfs/dbraw/zinc/47/00/48/496470048.db2.gz PALFUDJCARSIFD-IAQYHMDHSA-N 1 1 360.439 3.428 20 5 FGBDMO C[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181658357 496490613 /nfs/dbraw/zinc/49/06/13/496490613.db2.gz URLFMFZVKJLQOO-HOTGVXAUSA-N 1 1 374.485 3.166 20 5 FGBDMO Cc1cc(C)c(OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000153649378 496532157 /nfs/dbraw/zinc/53/21/57/496532157.db2.gz DCXSPSQWXDFBRI-SFHVURJKSA-N 1 1 356.422 3.010 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@H+](C)C2(CCCCC2)C1 ZINC000571937120 505850117 /nfs/dbraw/zinc/85/01/17/505850117.db2.gz MNAWICYEXBLZHG-UHFFFAOYSA-N 1 1 374.485 3.182 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCN(C)C2(CCCCC2)C1 ZINC000571937120 505850118 /nfs/dbraw/zinc/85/01/18/505850118.db2.gz MNAWICYEXBLZHG-UHFFFAOYSA-N 1 1 374.485 3.182 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCN(C)C2(CCCCC2)C1 ZINC000571937120 505850121 /nfs/dbraw/zinc/85/01/21/505850121.db2.gz MNAWICYEXBLZHG-UHFFFAOYSA-N 1 1 374.485 3.182 20 5 FGBDMO C[C@@H](C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000571942073 505851905 /nfs/dbraw/zinc/85/19/05/505851905.db2.gz ZSUCNMAXPVGDBW-CQSZACIVSA-N 1 1 359.401 3.086 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(-c3ccccc3C[NH+]3CCOCC3)n2)cc1 ZINC000277438739 496772994 /nfs/dbraw/zinc/77/29/94/496772994.db2.gz GUEGWSREPSEQHP-UHFFFAOYSA-N 1 1 366.377 3.144 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000574844114 505866474 /nfs/dbraw/zinc/86/64/74/505866474.db2.gz CXRFPVOPNRNMER-HOCLYGCPSA-N 1 1 354.410 3.196 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000574844114 505866476 /nfs/dbraw/zinc/86/64/76/505866476.db2.gz CXRFPVOPNRNMER-HOCLYGCPSA-N 1 1 354.410 3.196 20 5 FGBDMO CC(C)c1ccc(C[N@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000247291891 496827054 /nfs/dbraw/zinc/82/70/54/496827054.db2.gz ZEYSHKYRFDNPPJ-VQIMIIECSA-N 1 1 372.469 3.397 20 5 FGBDMO C[N@H+]1CCC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H]1c1cccs1 ZINC000247318353 496833136 /nfs/dbraw/zinc/83/31/36/496833136.db2.gz HWWXVSIMPCNHKK-KXBFYZLASA-N 1 1 373.478 3.398 20 5 FGBDMO Cc1nnc([C@@H](C)[NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)s1 ZINC000273671407 496870629 /nfs/dbraw/zinc/87/06/29/496870629.db2.gz ZERGRUWHXCCSNL-SNVBAGLBSA-N 1 1 359.411 3.303 20 5 FGBDMO COc1cc(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000188754066 496897166 /nfs/dbraw/zinc/89/71/66/496897166.db2.gz MQLQTQYXKXXZKX-AWEZNQCLSA-N 1 1 363.458 3.154 20 5 FGBDMO C[C@@H](c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)[NH+]1CCOCC1 ZINC000264458937 496905561 /nfs/dbraw/zinc/90/55/61/496905561.db2.gz PHJFYCWWCITYIY-AWEZNQCLSA-N 1 1 355.394 3.240 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccccc1 ZINC000247915476 496927079 /nfs/dbraw/zinc/92/70/79/496927079.db2.gz AXBPXOSGNQNRCC-PKOBYXMFSA-N 1 1 373.840 3.352 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000580945176 505874768 /nfs/dbraw/zinc/87/47/68/505874768.db2.gz DQXKBAGCRHHZDB-HNNXBMFYSA-N 1 1 370.327 3.445 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000247988490 496940294 /nfs/dbraw/zinc/94/02/94/496940294.db2.gz IRQGRBFPCCPBTA-IEBWSBKVSA-N 1 1 371.462 3.249 20 5 FGBDMO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269680332 496988525 /nfs/dbraw/zinc/98/85/25/496988525.db2.gz XUXRRLFMEIELSS-RBUKOAKNSA-N 1 1 366.421 3.352 20 5 FGBDMO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269680332 496988529 /nfs/dbraw/zinc/98/85/29/496988529.db2.gz XUXRRLFMEIELSS-RBUKOAKNSA-N 1 1 366.421 3.352 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000248393747 496992719 /nfs/dbraw/zinc/99/27/19/496992719.db2.gz MDQNYVYDVRPTOR-ZIFCJYIRSA-N 1 1 359.470 3.106 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3CC[N@H+]4CCCC[C@H]34)cs2)c1 ZINC000264943895 497016127 /nfs/dbraw/zinc/01/61/27/497016127.db2.gz HTQJGWBJKWQHPU-IAGOWNOFSA-N 1 1 358.467 3.435 20 5 FGBDMO C[N@@H+]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000572064225 505880635 /nfs/dbraw/zinc/88/06/35/505880635.db2.gz PRHJCSTTWBWJCK-KRWDZBQOSA-N 1 1 358.373 3.255 20 5 FGBDMO C[N@H+]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000572064225 505880639 /nfs/dbraw/zinc/88/06/39/505880639.db2.gz PRHJCSTTWBWJCK-KRWDZBQOSA-N 1 1 358.373 3.255 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000270332178 497103658 /nfs/dbraw/zinc/10/36/58/497103658.db2.gz SPKHKPFGZZJEEW-UHFFFAOYSA-N 1 1 373.331 3.126 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000248836335 497115201 /nfs/dbraw/zinc/11/52/01/497115201.db2.gz NBIPCDJAMOZPHB-SUMWQHHRSA-N 1 1 373.840 3.499 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@H]3CCC4(CCCCC4)O3)C2)nc1 ZINC000248843611 497116547 /nfs/dbraw/zinc/11/65/47/497116547.db2.gz ORJDDRLDGQWCJQ-DOTOQJQBSA-N 1 1 360.458 3.358 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000278475482 497127279 /nfs/dbraw/zinc/12/72/79/497127279.db2.gz ZVBLRJZVLMLFJV-UHFFFAOYSA-N 1 1 355.394 3.290 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000192619289 497165653 /nfs/dbraw/zinc/16/56/53/497165653.db2.gz VCGDBZMWYCKAOW-UHFFFAOYSA-N 1 1 367.449 3.470 20 5 FGBDMO COc1cc(C[NH2+][C@H]2CCOc3ccc(F)cc32)c([N+](=O)[O-])cc1OC ZINC000189586451 497172675 /nfs/dbraw/zinc/17/26/75/497172675.db2.gz YXTFREZKEHUQST-AWEZNQCLSA-N 1 1 362.357 3.365 20 5 FGBDMO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000278830706 497235814 /nfs/dbraw/zinc/23/58/14/497235814.db2.gz DCLPFDCOXISRRV-KCJUWKMLSA-N 1 1 361.345 3.454 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000189785162 497243493 /nfs/dbraw/zinc/24/34/93/497243493.db2.gz YSTSRDRPJSGKKS-AEFFLSMTSA-N 1 1 370.409 3.170 20 5 FGBDMO CC[C@H](C(=O)NCc1cccc([N+](=O)[O-])c1C)[N@@H+](C)Cc1ccccc1 ZINC000581042760 505896617 /nfs/dbraw/zinc/89/66/17/505896617.db2.gz MDHKABFWTUYTMD-GOSISDBHSA-N 1 1 355.438 3.430 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@H](C)[C@H](OC)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000251901678 497290104 /nfs/dbraw/zinc/29/01/04/497290104.db2.gz RALWAWDWYOXLCV-ZUZCIYMTSA-N 1 1 360.357 3.062 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@H](C)[C@H](OC)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000251901678 497290105 /nfs/dbraw/zinc/29/01/05/497290105.db2.gz RALWAWDWYOXLCV-ZUZCIYMTSA-N 1 1 360.357 3.062 20 5 FGBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)c1 ZINC000189944757 497302170 /nfs/dbraw/zinc/30/21/70/497302170.db2.gz CYNLUSGCUIFPOQ-UHFFFAOYSA-N 1 1 371.437 3.294 20 5 FGBDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275391171 497311519 /nfs/dbraw/zinc/31/15/19/497311519.db2.gz AIOHWESYUOPIJJ-AWEZNQCLSA-N 1 1 361.445 3.308 20 5 FGBDMO C[N@@H+](Cc1ccccc1Cl)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193316023 497347523 /nfs/dbraw/zinc/34/75/23/497347523.db2.gz PZCATIZSYORLEI-AWEZNQCLSA-N 1 1 350.802 3.120 20 5 FGBDMO C[N@H+](Cc1ccccc1Cl)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193316023 497347530 /nfs/dbraw/zinc/34/75/30/497347530.db2.gz PZCATIZSYORLEI-AWEZNQCLSA-N 1 1 350.802 3.120 20 5 FGBDMO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193771049 497475742 /nfs/dbraw/zinc/47/57/42/497475742.db2.gz CWORPKXMDSDCRT-IBGZPJMESA-N 1 1 367.449 3.166 20 5 FGBDMO COc1cc(C(=O)N(C)CC[N@@H+](C)C2CCCCC2)cc([N+](=O)[O-])c1C ZINC000190440293 497481164 /nfs/dbraw/zinc/48/11/64/497481164.db2.gz DJQJTFIRVHEDCU-UHFFFAOYSA-N 1 1 363.458 3.248 20 5 FGBDMO COc1cc(C[N@H+]2CCSC[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000190473870 497493710 /nfs/dbraw/zinc/49/37/10/497493710.db2.gz RBJASSCZSRNWIY-JTQLQIEISA-N 1 1 362.398 3.390 20 5 FGBDMO CCc1ccc(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000193838724 497498137 /nfs/dbraw/zinc/49/81/37/497498137.db2.gz JEFYYCDNGJTTAZ-QGZVFWFLSA-N 1 1 367.449 3.409 20 5 FGBDMO O=C(NC1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1)c1ccsc1 ZINC000276291943 497537545 /nfs/dbraw/zinc/53/75/45/497537545.db2.gz HYRZSXPIIGQEGN-UHFFFAOYSA-N 1 1 363.414 3.190 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000279813108 497550717 /nfs/dbraw/zinc/55/07/17/497550717.db2.gz LJXOEYUALHUTHT-XHDPSFHLSA-N 1 1 371.840 3.119 20 5 FGBDMO Cc1ccc(N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)[nH+]c1 ZINC000194240645 497611044 /nfs/dbraw/zinc/61/10/44/497611044.db2.gz FCFMKVFGXJFFSW-UHFFFAOYSA-N 1 1 354.410 3.462 20 5 FGBDMO Cc1nc(CC[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000272500087 497645458 /nfs/dbraw/zinc/64/54/58/497645458.db2.gz GVILNJRDJBUMRM-INIZCTEOSA-N 1 1 357.439 3.015 20 5 FGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)c1 ZINC000246261694 497676224 /nfs/dbraw/zinc/67/62/24/497676224.db2.gz LGDOVCLDWZBQOV-DJIMGWMZSA-N 1 1 362.451 3.278 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000194799665 497775084 /nfs/dbraw/zinc/77/50/84/497775084.db2.gz ZVFRQEIMPAQSNQ-ZDUSSCGKSA-N 1 1 359.451 3.141 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000194799665 497775091 /nfs/dbraw/zinc/77/50/91/497775091.db2.gz ZVFRQEIMPAQSNQ-ZDUSSCGKSA-N 1 1 359.451 3.141 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000194799652 497775854 /nfs/dbraw/zinc/77/58/54/497775854.db2.gz ZVFRQEIMPAQSNQ-CYBMUJFWSA-N 1 1 359.451 3.141 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000194799652 497775859 /nfs/dbraw/zinc/77/58/59/497775859.db2.gz ZVFRQEIMPAQSNQ-CYBMUJFWSA-N 1 1 359.451 3.141 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000194834322 497786197 /nfs/dbraw/zinc/78/61/97/497786197.db2.gz QUAFFKJIOPDAOR-DOTOQJQBSA-N 1 1 353.422 3.296 20 5 FGBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000273041818 497789018 /nfs/dbraw/zinc/78/90/18/497789018.db2.gz WGBUDYJSCUSYQR-OAHLLOKOSA-N 1 1 360.458 3.165 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000273039268 497789162 /nfs/dbraw/zinc/78/91/62/497789162.db2.gz OOGGPHSKQPYYNX-UHFFFAOYSA-N 1 1 360.439 3.379 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000273039268 497789166 /nfs/dbraw/zinc/78/91/66/497789166.db2.gz OOGGPHSKQPYYNX-UHFFFAOYSA-N 1 1 360.439 3.379 20 5 FGBDMO C[C@@H]1C[C@H](CC[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000273124754 497801855 /nfs/dbraw/zinc/80/18/55/497801855.db2.gz AKCXCJVOHDIAGZ-RKVPGOIHSA-N 1 1 358.442 3.213 20 5 FGBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000246941009 497821396 /nfs/dbraw/zinc/82/13/96/497821396.db2.gz HNULWVCPEIHWEM-OIISXLGYSA-N 1 1 360.458 3.232 20 5 FGBDMO CO[C@]1(C)CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000280628601 497832965 /nfs/dbraw/zinc/83/29/65/497832965.db2.gz XFYHYBJXCXWZHA-MRXNPFEDSA-N 1 1 355.822 3.078 20 5 FGBDMO CO[C@]1(C)CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000280628601 497832975 /nfs/dbraw/zinc/83/29/75/497832975.db2.gz XFYHYBJXCXWZHA-MRXNPFEDSA-N 1 1 355.822 3.078 20 5 FGBDMO CCCCCC(=O)NC1CC[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000299588935 497858820 /nfs/dbraw/zinc/85/88/20/497858820.db2.gz SPPLZWUWUVOUJW-UHFFFAOYSA-N 1 1 363.458 3.264 20 5 FGBDMO CC1(C)C[C@@H](O)CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000296027975 497895833 /nfs/dbraw/zinc/89/58/33/497895833.db2.gz MHHQHWQKEMKMPK-INIZCTEOSA-N 1 1 359.426 3.275 20 5 FGBDMO CC1(C)OCc2cc(C[N@H+]3CCC[C@H](n4cc([N+](=O)[O-])cn4)C3)ccc2O1 ZINC000364337370 497906333 /nfs/dbraw/zinc/90/63/33/497906333.db2.gz MUQBWZHLLNBWLU-INIZCTEOSA-N 1 1 372.425 3.274 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000289313716 498100515 /nfs/dbraw/zinc/10/05/15/498100515.db2.gz JLPOEXZHNOXONB-ZBFHGGJFSA-N 1 1 354.410 3.196 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000289313716 498100521 /nfs/dbraw/zinc/10/05/21/498100521.db2.gz JLPOEXZHNOXONB-ZBFHGGJFSA-N 1 1 354.410 3.196 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc(O)c3)CC2)c2ncccc12 ZINC000301428658 498106448 /nfs/dbraw/zinc/10/64/48/498106448.db2.gz UWAZCENGEBIZCW-UHFFFAOYSA-N 1 1 364.405 3.171 20 5 FGBDMO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000364727102 498116483 /nfs/dbraw/zinc/11/64/83/498116483.db2.gz CRGHQHANOQUJFQ-VXGBXAGGSA-N 1 1 372.347 3.362 20 5 FGBDMO COc1cc(F)c([N+](=O)[O-])c(NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000301453106 498117706 /nfs/dbraw/zinc/11/77/06/498117706.db2.gz VBHYFGYLDXJJIV-RYUDHWBXSA-N 1 1 355.410 3.042 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC000289446786 498150427 /nfs/dbraw/zinc/15/04/27/498150427.db2.gz KRTKDPTZLZWGSU-STQMWFEESA-N 1 1 373.375 3.355 20 5 FGBDMO Cc1c(NC(=O)CC[NH2+][C@@H](C)c2c(F)cncc2F)cccc1[N+](=O)[O-] ZINC000285668458 498165609 /nfs/dbraw/zinc/16/56/09/498165609.db2.gz MNBGLQWZVQVUAS-NSHDSACASA-N 1 1 364.352 3.256 20 5 FGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000296743558 498178983 /nfs/dbraw/zinc/17/89/83/498178983.db2.gz PAKMVTIXKSBCSX-KBPBESRZSA-N 1 1 371.441 3.122 20 5 FGBDMO Cc1nc(N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000301662275 498211708 /nfs/dbraw/zinc/21/17/08/498211708.db2.gz NAOYLVSESCAVIS-GASCZTMLSA-N 1 1 362.474 3.014 20 5 FGBDMO C[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1c(F)cncc1F ZINC000285885983 498230239 /nfs/dbraw/zinc/23/02/39/498230239.db2.gz YYYBAKWEACUXJF-VIFPVBQESA-N 1 1 368.315 3.087 20 5 FGBDMO O=[N+]([O-])c1cc(F)ccc1N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000301717703 498236958 /nfs/dbraw/zinc/23/69/58/498236958.db2.gz KYIKZZXEJIULQY-CRAIPNDOSA-N 1 1 359.401 3.029 20 5 FGBDMO C[NH+](C)[C@@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000569738478 506004285 /nfs/dbraw/zinc/00/42/85/506004285.db2.gz CTGNTWCLXNOCQU-QGZVFWFLSA-N 1 1 361.829 3.210 20 5 FGBDMO Cn1cc[nH+]c1CC1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000365030382 498263426 /nfs/dbraw/zinc/26/34/26/498263426.db2.gz XIBFFHJXXMJFDG-UHFFFAOYSA-N 1 1 351.410 3.336 20 5 FGBDMO C[N@H+]1CCCC12CCN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)CC2 ZINC000360343300 498268057 /nfs/dbraw/zinc/26/80/57/498268057.db2.gz MACAEWVWZQCNHJ-UHFFFAOYSA-N 1 1 371.359 3.314 20 5 FGBDMO O=[N+]([O-])c1cc2c(ncnc2N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000286163599 498310459 /nfs/dbraw/zinc/31/04/59/498310459.db2.gz JPUWWPRNZUCROT-FZMZJTMJSA-N 1 1 359.455 3.053 20 5 FGBDMO CC(C)[C@@H]1C[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCCO1 ZINC000293234427 498316064 /nfs/dbraw/zinc/31/60/64/498316064.db2.gz SKQBUOZWWNEFJG-BBRMVZONSA-N 1 1 360.414 3.453 20 5 FGBDMO CCc1nn(C)c(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301924731 498330622 /nfs/dbraw/zinc/33/06/22/498330622.db2.gz GINUNMJRVGRQTO-HOCLYGCPSA-N 1 1 357.458 3.356 20 5 FGBDMO COc1cccc([C@H]2[C@@H](Nc3ncccc3[N+](=O)[O-])CC[N@H+]2C2CC2)c1 ZINC000302024158 498373308 /nfs/dbraw/zinc/37/33/08/498373308.db2.gz GAOFQCVUTHJQPS-WMZOPIPTSA-N 1 1 354.410 3.388 20 5 FGBDMO Cc1cnn([C@H]2CC[N@@H+]([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)c1 ZINC000289970887 498375842 /nfs/dbraw/zinc/37/58/42/498375842.db2.gz RDTDMBZFGVYNMK-CJNGLKHVSA-N 1 1 368.397 3.158 20 5 FGBDMO Cc1cnn([C@H]2CC[N@H+]([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)c1 ZINC000289970887 498375848 /nfs/dbraw/zinc/37/58/48/498375848.db2.gz RDTDMBZFGVYNMK-CJNGLKHVSA-N 1 1 368.397 3.158 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@H](OC)C[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000282276031 498449392 /nfs/dbraw/zinc/44/93/92/498449392.db2.gz HVQZSFPURNQCNY-DGCLKSJQSA-N 1 1 374.384 3.247 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@@H](OC)C[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000282276031 498449398 /nfs/dbraw/zinc/44/93/98/498449398.db2.gz HVQZSFPURNQCNY-DGCLKSJQSA-N 1 1 374.384 3.247 20 5 FGBDMO O=[N+]([O-])c1cnc(N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC000302240946 498457064 /nfs/dbraw/zinc/45/70/64/498457064.db2.gz XSPHZNBKFOKPGW-CGTJXYLNSA-N 1 1 353.426 3.097 20 5 FGBDMO C[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000293741570 498474020 /nfs/dbraw/zinc/47/40/20/498474020.db2.gz RLDMXVLZVBPGFA-GFCCVEGCSA-N 1 1 351.834 3.195 20 5 FGBDMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000331973006 498518764 /nfs/dbraw/zinc/51/87/64/498518764.db2.gz SLKHTUVSWIDDRV-LBPRGKRZSA-N 1 1 371.359 3.360 20 5 FGBDMO Cc1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)nc(N2CCCC2)n1 ZINC000293900935 498527459 /nfs/dbraw/zinc/52/74/59/498527459.db2.gz ZNVHSWKJOCDHBB-OAHLLOKOSA-N 1 1 355.442 3.453 20 5 FGBDMO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282547743 498555043 /nfs/dbraw/zinc/55/50/43/498555043.db2.gz WUXZAZYAIWWXAQ-CQSZACIVSA-N 1 1 362.451 3.234 20 5 FGBDMO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282547743 498555047 /nfs/dbraw/zinc/55/50/47/498555047.db2.gz WUXZAZYAIWWXAQ-CQSZACIVSA-N 1 1 362.451 3.234 20 5 FGBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000302744574 498556210 /nfs/dbraw/zinc/55/62/10/498556210.db2.gz RSGVMUPZIUQZER-BXUZGUMPSA-N 1 1 354.248 3.278 20 5 FGBDMO Cc1noc([C@@H](C)[N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)n1 ZINC000572852188 506068045 /nfs/dbraw/zinc/06/80/45/506068045.db2.gz AVGDBYLJLGDEOY-LLVKDONJSA-N 1 1 357.370 3.177 20 5 FGBDMO Cc1noc([C@@H](C)[N@@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)n1 ZINC000572852188 506068048 /nfs/dbraw/zinc/06/80/48/506068048.db2.gz AVGDBYLJLGDEOY-LLVKDONJSA-N 1 1 357.370 3.177 20 5 FGBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000303522302 498686827 /nfs/dbraw/zinc/68/68/27/498686827.db2.gz QIFKXXNTOXGASI-ZDUSSCGKSA-N 1 1 373.457 3.102 20 5 FGBDMO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000303522302 498686832 /nfs/dbraw/zinc/68/68/32/498686832.db2.gz QIFKXXNTOXGASI-ZDUSSCGKSA-N 1 1 373.457 3.102 20 5 FGBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000303522302 498686838 /nfs/dbraw/zinc/68/68/38/498686838.db2.gz QIFKXXNTOXGASI-ZDUSSCGKSA-N 1 1 373.457 3.102 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c1 ZINC000282933599 498715926 /nfs/dbraw/zinc/71/59/26/498715926.db2.gz XOKHHXFSPPLLIN-CABCVRRESA-N 1 1 361.442 3.081 20 5 FGBDMO C[C@H]1[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000311826404 498755083 /nfs/dbraw/zinc/75/50/83/498755083.db2.gz RHKYNAQZRWHHSO-GUYCJALGSA-N 1 1 357.385 3.127 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000287507777 498781172 /nfs/dbraw/zinc/78/11/72/498781172.db2.gz GVNSXDVKOBZANC-JTUUTPGSSA-N 1 1 360.458 3.231 20 5 FGBDMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000291183729 498832230 /nfs/dbraw/zinc/83/22/30/498832230.db2.gz ONGYKFPPGQMAHN-GIOXJEDJSA-N 1 1 362.470 3.280 20 5 FGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+](Cc2ccc(F)cc2)C2CCOCC2)c1 ZINC000287960646 498913657 /nfs/dbraw/zinc/91/36/57/498913657.db2.gz YRHJGYWVNQRFBC-HXUWFJFHSA-N 1 1 374.412 3.449 20 5 FGBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000363805081 499002977 /nfs/dbraw/zinc/00/29/77/499002977.db2.gz XHZUODJMPFMREA-IYOXOMEYSA-N 1 1 357.454 3.473 20 5 FGBDMO COCC[N@H+]1CCCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000299245724 499004572 /nfs/dbraw/zinc/00/45/72/499004572.db2.gz OQUYMYVMXAYUAC-UHFFFAOYSA-N 1 1 363.461 3.182 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000283929808 499014527 /nfs/dbraw/zinc/01/45/27/499014527.db2.gz JCDQRAKJGGCNFB-UHFFFAOYSA-N 1 1 353.325 3.280 20 5 FGBDMO COc1cc(OC)c(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c(OC)c1 ZINC000284303295 499086162 /nfs/dbraw/zinc/08/61/62/499086162.db2.gz YTLZRVADOZCHDA-LLVKDONJSA-N 1 1 361.398 3.054 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](Cc3nnc4ccccn43)C2)cs1 ZINC000364122444 499119262 /nfs/dbraw/zinc/11/92/62/499119262.db2.gz CDGRSMJFRSIXFV-CYBMUJFWSA-N 1 1 357.439 3.154 20 5 FGBDMO Cc1cc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)no1 ZINC000372461004 499129783 /nfs/dbraw/zinc/12/97/83/499129783.db2.gz XLWTZQVKPOKFOD-INIZCTEOSA-N 1 1 362.361 3.196 20 5 FGBDMO Cc1cc([C@@H]2CCC[N@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)no1 ZINC000372461004 499129785 /nfs/dbraw/zinc/12/97/85/499129785.db2.gz XLWTZQVKPOKFOD-INIZCTEOSA-N 1 1 362.361 3.196 20 5 FGBDMO COc1ccc(C[NH2+][C@H](c2cnn(C)c2)c2ccccc2)cc1[N+](=O)[O-] ZINC000369908898 499150321 /nfs/dbraw/zinc/15/03/21/499150321.db2.gz BCQOAKWKWCPNAB-IBGZPJMESA-N 1 1 352.394 3.216 20 5 FGBDMO COc1ccc(C[NH2+][C@@H](c2cnn(C)c2)c2ccccc2)cc1[N+](=O)[O-] ZINC000369908899 499150559 /nfs/dbraw/zinc/15/05/59/499150559.db2.gz BCQOAKWKWCPNAB-LJQANCHMSA-N 1 1 352.394 3.216 20 5 FGBDMO Cc1c([C@H]2CCC[N@H+]2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cnn1C ZINC000367270231 499170945 /nfs/dbraw/zinc/17/09/45/499170945.db2.gz KNKAPGRIWRSCGR-GOSISDBHSA-N 1 1 371.441 3.111 20 5 FGBDMO Cc1c(CC(=O)N2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000367353514 499186928 /nfs/dbraw/zinc/18/69/28/499186928.db2.gz KZFMWUWTPLPGAT-KRWDZBQOSA-N 1 1 371.481 3.169 20 5 FGBDMO CCC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000370236878 499200851 /nfs/dbraw/zinc/20/08/51/499200851.db2.gz RVXSDEWVVLVMIH-CVEARBPZSA-N 1 1 372.425 3.101 20 5 FGBDMO CCC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000370236878 499200853 /nfs/dbraw/zinc/20/08/53/499200853.db2.gz RVXSDEWVVLVMIH-CVEARBPZSA-N 1 1 372.425 3.101 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H](Cc2ccc(C(F)F)cc2)C1 ZINC000368118874 499266320 /nfs/dbraw/zinc/26/63/20/499266320.db2.gz PDXFCBWAOCDDBJ-CYBMUJFWSA-N 1 1 350.369 3.331 20 5 FGBDMO C[N@@H+]1CC[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000371075687 499286721 /nfs/dbraw/zinc/28/67/21/499286721.db2.gz RDKIHSHYNHFDCU-RDJZCZTQSA-N 1 1 361.348 3.048 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000371075687 499286722 /nfs/dbraw/zinc/28/67/22/499286722.db2.gz RDKIHSHYNHFDCU-RDJZCZTQSA-N 1 1 361.348 3.048 20 5 FGBDMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000368353120 499288104 /nfs/dbraw/zinc/28/81/04/499288104.db2.gz CCLFPXWZNBDSCP-DLBZAZTESA-N 1 1 351.834 3.224 20 5 FGBDMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000368353120 499288106 /nfs/dbraw/zinc/28/81/06/499288106.db2.gz CCLFPXWZNBDSCP-DLBZAZTESA-N 1 1 351.834 3.224 20 5 FGBDMO COc1cc(OC)c(OC)cc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000570314220 506140102 /nfs/dbraw/zinc/14/01/02/506140102.db2.gz YNUOIDPPKBMOHG-UHFFFAOYSA-N 1 1 360.410 3.295 20 5 FGBDMO O=C(C1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1)N1CCCCCC1 ZINC000368479360 499300249 /nfs/dbraw/zinc/30/02/49/499300249.db2.gz SNOQKIUBGOQXAK-UHFFFAOYSA-N 1 1 363.433 3.349 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@H](Nc4ccccc4)C3)n2)cc1 ZINC000371511554 499336276 /nfs/dbraw/zinc/33/62/76/499336276.db2.gz RGEAEOOFPHCMPF-INIZCTEOSA-N 1 1 365.393 3.331 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@H](Nc4ccccc4)C3)n2)cc1 ZINC000371511554 499336278 /nfs/dbraw/zinc/33/62/78/499336278.db2.gz RGEAEOOFPHCMPF-INIZCTEOSA-N 1 1 365.393 3.331 20 5 FGBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000371708761 499357642 /nfs/dbraw/zinc/35/76/42/499357642.db2.gz SYTDJFVPZYPOFU-STQMWFEESA-N 1 1 369.874 3.083 20 5 FGBDMO C[N@H+]1CC[C@@H](CNC(=O)NCc2ccccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000369543398 499415141 /nfs/dbraw/zinc/41/51/41/499415141.db2.gz GGLYGHLRSDQNKM-WMLDXEAASA-N 1 1 374.466 3.149 20 5 FGBDMO Cc1nc2c(s1)CCC[C@@H]2C[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000369547804 499415784 /nfs/dbraw/zinc/41/57/84/499415784.db2.gz CVHMNHCZUBWDNV-CQSZACIVSA-N 1 1 374.466 3.011 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@H](C[C@H]4CCOC4)C3)o2)cc1 ZINC000373143925 499453702 /nfs/dbraw/zinc/45/37/02/499453702.db2.gz YOOYJZMPBUDHBF-HUUCEWRRSA-N 1 1 372.425 3.283 20 5 FGBDMO Cc1cc(C)n(CC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)n1 ZINC000373203496 499457202 /nfs/dbraw/zinc/45/72/02/499457202.db2.gz KVBYGSPHYJITEJ-UHFFFAOYSA-N 1 1 373.413 3.229 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@]3(C2)CCCOC3)ccc1Br ZINC000375300352 499504583 /nfs/dbraw/zinc/50/45/83/499504583.db2.gz ADVDWHKPUARCBL-HNNXBMFYSA-N 1 1 355.232 3.360 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@]3(C2)CCCOC3)ccc1Br ZINC000375300352 499504584 /nfs/dbraw/zinc/50/45/84/499504584.db2.gz ADVDWHKPUARCBL-HNNXBMFYSA-N 1 1 355.232 3.360 20 5 FGBDMO C[C@@H]1[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCC12CCOCC2 ZINC000375242229 499498615 /nfs/dbraw/zinc/49/86/15/499498615.db2.gz NIRRNHQLQLEVHC-ZDUSSCGKSA-N 1 1 358.398 3.036 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000378354466 499506349 /nfs/dbraw/zinc/50/63/49/499506349.db2.gz JWLMZYVOAQWFJM-HNNXBMFYSA-N 1 1 357.454 3.240 20 5 FGBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)Nc1ccc2c(c1)CCC2 ZINC000573223085 506148169 /nfs/dbraw/zinc/14/81/69/506148169.db2.gz FWQZQGVLGRSSDQ-UHFFFAOYSA-N 1 1 353.422 3.197 20 5 FGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)Nc1ccc2c(c1)CCC2 ZINC000573223085 506148174 /nfs/dbraw/zinc/14/81/74/506148174.db2.gz FWQZQGVLGRSSDQ-UHFFFAOYSA-N 1 1 353.422 3.197 20 5 FGBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)C[C@H]21 ZINC000376729118 499632582 /nfs/dbraw/zinc/63/25/82/499632582.db2.gz OELLTQSJEIVSFH-YMTOWFKASA-N 1 1 358.225 3.068 20 5 FGBDMO Cc1nc(NC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000410554193 499667498 /nfs/dbraw/zinc/66/74/98/499667498.db2.gz QOWOKBGPSFXERM-GHMZBOCLSA-N 1 1 374.363 3.146 20 5 FGBDMO COc1ccc(NC(=O)CC[N@@H+](C)C2Cc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000411195993 499709683 /nfs/dbraw/zinc/70/96/83/499709683.db2.gz WPZZUTHDNMUKCD-UHFFFAOYSA-N 1 1 369.421 3.031 20 5 FGBDMO CC(C)[C@]1(CO)CC[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000377684503 499719385 /nfs/dbraw/zinc/71/93/85/499719385.db2.gz WTVSAMIPDZOFPG-FZKQIMNGSA-N 1 1 360.414 3.046 20 5 FGBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3csc([N+](=O)[O-])c3)C[C@H]2[C@H]1c1ccccc1 ZINC000377815312 499737842 /nfs/dbraw/zinc/73/78/42/499737842.db2.gz VSHQWMSWCNOJBL-BFYDXBDKSA-N 1 1 357.435 3.031 20 5 FGBDMO CC(=O)c1cc(NC[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC000377973696 499752560 /nfs/dbraw/zinc/75/25/60/499752560.db2.gz RFKRORDXAKVXES-KXBFYZLASA-N 1 1 354.410 3.297 20 5 FGBDMO CC(C)Oc1cc(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000411741334 499785245 /nfs/dbraw/zinc/78/52/45/499785245.db2.gz ZLZDDDLKBHVTEW-HNNXBMFYSA-N 1 1 363.458 3.232 20 5 FGBDMO O=C1[C@H]([N@H+]2CCSC3(CCC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000411872813 499798622 /nfs/dbraw/zinc/79/86/22/499798622.db2.gz WFSYYWKBSNLWOV-MRXNPFEDSA-N 1 1 361.467 3.062 20 5 FGBDMO O=C1C[C@]2(CC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C2)Oc2ccccc21 ZINC000411983145 499809472 /nfs/dbraw/zinc/80/94/72/499809472.db2.gz LPYHXYWQTGDDNJ-FQEVSTJZSA-N 1 1 368.389 3.084 20 5 FGBDMO O=C1C[C@]2(CC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)Oc2ccccc21 ZINC000411983145 499809473 /nfs/dbraw/zinc/80/94/73/499809473.db2.gz LPYHXYWQTGDDNJ-FQEVSTJZSA-N 1 1 368.389 3.084 20 5 FGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000412175171 499830916 /nfs/dbraw/zinc/83/09/16/499830916.db2.gz ITIDTGZGCRTBMA-CVEARBPZSA-N 1 1 361.442 3.081 20 5 FGBDMO Cc1ccc(Sc2ccc(C[NH2+]C[C@H]3CNCCO3)cc2[N+](=O)[O-])cc1 ZINC000415099773 499863451 /nfs/dbraw/zinc/86/34/51/499863451.db2.gz ZEPDRWAUCDKDDQ-MRXNPFEDSA-N 1 1 373.478 3.132 20 5 FGBDMO Cc1[nH+]c(N2CCOCC2)ccc1Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413198201 499925806 /nfs/dbraw/zinc/92/58/06/499925806.db2.gz HPDRRSATCZNLIN-UHFFFAOYSA-N 1 1 365.393 3.427 20 5 FGBDMO CC[C@H](Nc1ncc([N+](=O)[O-])cc1F)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000413206883 499926686 /nfs/dbraw/zinc/92/66/86/499926686.db2.gz ZFINLNFWQUXABL-ROUUACIJSA-N 1 1 374.416 3.220 20 5 FGBDMO CC[C@H](Nc1ncc([N+](=O)[O-])cc1F)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000413206883 499926689 /nfs/dbraw/zinc/92/66/89/499926689.db2.gz ZFINLNFWQUXABL-ROUUACIJSA-N 1 1 374.416 3.220 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1OCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000421181749 499984932 /nfs/dbraw/zinc/98/49/32/499984932.db2.gz KQOIPAWOSNNGCI-UHFFFAOYSA-N 1 1 358.394 3.015 20 5 FGBDMO CC(=O)c1ccc(OCc2ccc(C[NH+]3CCOCC3)cc2)c([N+](=O)[O-])c1 ZINC000421210665 499992682 /nfs/dbraw/zinc/99/26/82/499992682.db2.gz GVNYNUJQLSQLDO-UHFFFAOYSA-N 1 1 370.405 3.209 20 5 FGBDMO Cc1nn(Cc2cccc(C[NH+]3CCOCC3)c2)c2ccc([N+](=O)[O-])cc12 ZINC000421220990 499994334 /nfs/dbraw/zinc/99/43/34/499994334.db2.gz YBHXVTXAWJNVCH-UHFFFAOYSA-N 1 1 366.421 3.133 20 5 FGBDMO CC(C)([NH2+]CC(=O)N1CCC(c2ccccc2)=N1)c1ccccc1[N+](=O)[O-] ZINC000429242913 500031928 /nfs/dbraw/zinc/03/19/28/500031928.db2.gz ATMBRHBALTUPPC-UHFFFAOYSA-N 1 1 366.421 3.056 20 5 FGBDMO COc1cc(CN2CC[N@H+](C3CCC3)C[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000429360664 500059546 /nfs/dbraw/zinc/05/95/46/500059546.db2.gz BGZDYIAFXGRQHY-CYBMUJFWSA-N 1 1 351.422 3.049 20 5 FGBDMO C[N@H+]1C[C@@H]2CCCN(c3ccc([N+](=O)[O-])c(OCc4ccccc4)n3)[C@@H]2C1 ZINC000425285543 500065132 /nfs/dbraw/zinc/06/51/32/500065132.db2.gz OSXXQMWKKFDUML-FUHWJXTLSA-N 1 1 368.437 3.099 20 5 FGBDMO CCC[C@@]1(CO)CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425439920 500106777 /nfs/dbraw/zinc/10/67/77/500106777.db2.gz AZRZAIHUGLHMPZ-OAHLLOKOSA-N 1 1 357.248 3.342 20 5 FGBDMO CCC[C@@]1(CO)CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425439920 500106779 /nfs/dbraw/zinc/10/67/79/500106779.db2.gz AZRZAIHUGLHMPZ-OAHLLOKOSA-N 1 1 357.248 3.342 20 5 FGBDMO CC[N@H+](CCc1ccc(C(F)(F)F)cc1)CCn1cc([N+](=O)[O-])cn1 ZINC000425548148 500141134 /nfs/dbraw/zinc/14/11/34/500141134.db2.gz JWSLPMYNGAYMQG-UHFFFAOYSA-N 1 1 356.348 3.375 20 5 FGBDMO CN(C)C(=O)c1ccccc1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000417734670 500159311 /nfs/dbraw/zinc/15/93/11/500159311.db2.gz VKOOXXKLRLXBJH-UHFFFAOYSA-N 1 1 353.422 3.461 20 5 FGBDMO CN(C)C(=O)c1ccccc1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000417734670 500159317 /nfs/dbraw/zinc/15/93/17/500159317.db2.gz VKOOXXKLRLXBJH-UHFFFAOYSA-N 1 1 353.422 3.461 20 5 FGBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)[C@@H]2C1 ZINC000425665216 500175124 /nfs/dbraw/zinc/17/51/24/500175124.db2.gz URBZNEJWRCGRRG-IINYFYTJSA-N 1 1 372.347 3.172 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000430198810 500207933 /nfs/dbraw/zinc/20/79/33/500207933.db2.gz ACZJRSXBCKSGGR-LJQANCHMSA-N 1 1 355.438 3.310 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000430216777 500210732 /nfs/dbraw/zinc/21/07/32/500210732.db2.gz HTOZDNZLCUQJMM-AWEZNQCLSA-N 1 1 367.409 3.377 20 5 FGBDMO Cn1c2cc(Cl)ccc2nc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000425983614 500221176 /nfs/dbraw/zinc/22/11/76/500221176.db2.gz WGNDNYAZXDGPFZ-UHFFFAOYSA-N 1 1 374.832 3.169 20 5 FGBDMO CN(C(=O)[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC000430293993 500223064 /nfs/dbraw/zinc/22/30/64/500223064.db2.gz NIZWIIAZYKDQFG-QGZVFWFLSA-N 1 1 353.422 3.122 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)cc1OC ZINC000426152716 500241460 /nfs/dbraw/zinc/24/14/60/500241460.db2.gz HPZPFGBLHYXTJB-GRDNDAEWSA-N 1 1 366.458 3.231 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)cc1OC ZINC000426152716 500241464 /nfs/dbraw/zinc/24/14/64/500241464.db2.gz HPZPFGBLHYXTJB-GRDNDAEWSA-N 1 1 366.458 3.231 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+]3CC[C@@](O)(C4CC4)C3)o2)c([N+](=O)[O-])c1 ZINC000426533647 500285939 /nfs/dbraw/zinc/28/59/39/500285939.db2.gz SHBKVBIRJNVOJQ-IBGZPJMESA-N 1 1 358.394 3.210 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(OC3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000419297221 500350222 /nfs/dbraw/zinc/35/02/22/500350222.db2.gz FHMDMNPZNKMYPD-CQSZACIVSA-N 1 1 361.442 3.264 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCSC[C@@H]3C3CCC3)n2)c1 ZINC000419358638 500357241 /nfs/dbraw/zinc/35/72/41/500357241.db2.gz JLTGSISFUJQSTM-OAHLLOKOSA-N 1 1 360.439 3.362 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCSC[C@@H]3C3CCC3)n2)c1 ZINC000419358638 500357244 /nfs/dbraw/zinc/35/72/44/500357244.db2.gz JLTGSISFUJQSTM-OAHLLOKOSA-N 1 1 360.439 3.362 20 5 FGBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000431957686 500447891 /nfs/dbraw/zinc/44/78/91/500447891.db2.gz XQJQHWNTZACFCZ-GASCZTMLSA-N 1 1 362.474 3.392 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(N3CC[NH+](Cc4cccc(Cl)c4)CC3)nc2c1 ZINC000427997926 500456343 /nfs/dbraw/zinc/45/63/43/500456343.db2.gz UCXPVFZRZQGFKU-UHFFFAOYSA-N 1 1 371.828 3.447 20 5 FGBDMO C[N@H+]1CCC[C@H](CNc2c(C(N)=O)cccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000420605197 500476409 /nfs/dbraw/zinc/47/64/09/500476409.db2.gz UMHTVASQNCJZBW-PXAZEXFGSA-N 1 1 374.466 3.250 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2C[C@H](O)C3(CC3)C2)ccc1Oc1ccc(F)cc1 ZINC000428384551 500503612 /nfs/dbraw/zinc/50/36/12/500503612.db2.gz CMSZCTNFWGNHJG-SFHVURJKSA-N 1 1 358.369 3.483 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+]2C[C@H](O)C3(CC3)C2)ccc1Oc1ccc(F)cc1 ZINC000428384551 500503613 /nfs/dbraw/zinc/50/36/13/500503613.db2.gz CMSZCTNFWGNHJG-SFHVURJKSA-N 1 1 358.369 3.483 20 5 FGBDMO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000432528986 500527413 /nfs/dbraw/zinc/52/74/13/500527413.db2.gz CIGHIIBHSPKOEH-UHFFFAOYSA-N 1 1 371.437 3.285 20 5 FGBDMO CCCn1cc[nH+]c1CCCN(C)c1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000428675839 500542147 /nfs/dbraw/zinc/54/21/47/500542147.db2.gz WRYDEXWQJZZCIO-UHFFFAOYSA-N 1 1 360.414 3.057 20 5 FGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](CCO)CC1 ZINC000421024543 500558268 /nfs/dbraw/zinc/55/82/68/500558268.db2.gz XQCACQLUSIOMGZ-KBPBESRZSA-N 1 1 360.414 3.190 20 5 FGBDMO CCc1ccc([C@H]2CC[N@@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000433072043 500619570 /nfs/dbraw/zinc/61/95/70/500619570.db2.gz MVFKFIYKVAGUCV-ICSRJNTNSA-N 1 1 370.449 3.386 20 5 FGBDMO CC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@H]1CCNC1=O ZINC000442964970 500654754 /nfs/dbraw/zinc/65/47/54/500654754.db2.gz PBCZHXRKYKEJPB-HNNXBMFYSA-N 1 1 363.801 3.219 20 5 FGBDMO CC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@H]1CCNC1=O ZINC000442964970 500654757 /nfs/dbraw/zinc/65/47/57/500654757.db2.gz PBCZHXRKYKEJPB-HNNXBMFYSA-N 1 1 363.801 3.219 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000447963230 500697237 /nfs/dbraw/zinc/69/72/37/500697237.db2.gz MUXJROBDEFCOSV-WMLDXEAASA-N 1 1 362.474 3.384 20 5 FGBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000448004331 500705403 /nfs/dbraw/zinc/70/54/03/500705403.db2.gz NLXVKESGGBXRDY-HNNXBMFYSA-N 1 1 368.865 3.168 20 5 FGBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000438286318 500763525 /nfs/dbraw/zinc/76/35/25/500763525.db2.gz VEOMBFRCBOKMPP-HNNXBMFYSA-N 1 1 373.453 3.132 20 5 FGBDMO CN(C)c1cc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc[nH+]1 ZINC000444103786 500803205 /nfs/dbraw/zinc/80/32/05/500803205.db2.gz IDQXEBSESDRVCJ-UHFFFAOYSA-N 1 1 358.401 3.395 20 5 FGBDMO C[NH+](C)[C@@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])c1ccccc1Cl ZINC000439099816 500855952 /nfs/dbraw/zinc/85/59/52/500855952.db2.gz RCMYMDUAQOBIBQ-HNNXBMFYSA-N 1 1 362.817 3.062 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000444616980 500867558 /nfs/dbraw/zinc/86/75/58/500867558.db2.gz KNXTTZBCQIMYNG-AWEZNQCLSA-N 1 1 365.499 3.314 20 5 FGBDMO CC(C)[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@@H](O)COc1ccccc1 ZINC000444801729 500903946 /nfs/dbraw/zinc/90/39/46/500903946.db2.gz LWPFWJIJHRNUOI-OAHLLOKOSA-N 1 1 362.401 3.384 20 5 FGBDMO CC(C)[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@@H](O)COc1ccccc1 ZINC000444801729 500903948 /nfs/dbraw/zinc/90/39/48/500903948.db2.gz LWPFWJIJHRNUOI-OAHLLOKOSA-N 1 1 362.401 3.384 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000439869357 500948601 /nfs/dbraw/zinc/94/86/01/500948601.db2.gz JCAQYLOHOKFYAC-ZIAGYGMSSA-N 1 1 364.446 3.235 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1CCCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000449499208 501018380 /nfs/dbraw/zinc/01/83/80/501018380.db2.gz TTXIKPONQJNOMU-ZFWWWQNUSA-N 1 1 350.369 3.443 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)c1 ZINC000449553612 501032484 /nfs/dbraw/zinc/03/24/84/501032484.db2.gz MEWGRHXBNNJEHX-XUJVJEKNSA-N 1 1 356.369 3.179 20 5 FGBDMO COc1cc(C[N@H+](C)[C@H]2C[C@@H](OC)C23CCC3)c([N+](=O)[O-])cc1OC ZINC000449629883 501046301 /nfs/dbraw/zinc/04/63/01/501046301.db2.gz GUSBOXNMXSSADN-DLBZAZTESA-N 1 1 350.415 3.001 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436095289 501069803 /nfs/dbraw/zinc/06/98/03/501069803.db2.gz BBRVZNNRQFLISD-OAHLLOKOSA-N 1 1 363.461 3.286 20 5 FGBDMO COCC1(C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000449741576 501072143 /nfs/dbraw/zinc/07/21/43/501072143.db2.gz KZWLCXHGNGMDAS-KRWDZBQOSA-N 1 1 358.442 3.214 20 5 FGBDMO CCN1CCN(CC(C)(C)[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000449756533 501077318 /nfs/dbraw/zinc/07/73/18/501077318.db2.gz WJKVJUSXZZICBK-UHFFFAOYSA-N 1 1 362.518 3.224 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000596058723 506233126 /nfs/dbraw/zinc/23/31/26/506233126.db2.gz IMJLAGPXOWWVME-CQSZACIVSA-N 1 1 369.412 3.408 20 5 FGBDMO CC1(C)C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000441076335 501084090 /nfs/dbraw/zinc/08/40/90/501084090.db2.gz DCYCIOKKPZEDTM-ICSRJNTNSA-N 1 1 370.449 3.460 20 5 FGBDMO Cn1cc[nH+]c1C[C@H]1CCCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450393825 501110609 /nfs/dbraw/zinc/11/06/09/501110609.db2.gz QIKPNZGEDLNWDA-CQSZACIVSA-N 1 1 351.410 3.336 20 5 FGBDMO C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441279473 501113522 /nfs/dbraw/zinc/11/35/22/501113522.db2.gz ARJSTQINIOVAAU-ZWNOBZJWSA-N 1 1 373.240 3.152 20 5 FGBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000450540951 501149459 /nfs/dbraw/zinc/14/94/59/501149459.db2.gz PKJJOPIYEAFPLG-AWEZNQCLSA-N 1 1 370.453 3.462 20 5 FGBDMO O=c1[nH]ccc(N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000596065251 506238341 /nfs/dbraw/zinc/23/83/41/506238341.db2.gz OMSNQEZFTLMIRE-UHFFFAOYSA-N 1 1 362.817 3.061 20 5 FGBDMO C[C@@H]1Cc2c([nH+]cn2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1C ZINC000451004299 501238504 /nfs/dbraw/zinc/23/85/04/501238504.db2.gz WNBFDMVYLDHLGI-NWDGAFQWSA-N 1 1 353.382 3.260 20 5 FGBDMO C[C@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[N@H+](C2CC2)C1 ZINC000451097056 501245370 /nfs/dbraw/zinc/24/53/70/501245370.db2.gz YQHVOETZRXYYQF-HNNXBMFYSA-N 1 1 370.453 3.208 20 5 FGBDMO C[C@@H]1CN(C2CC2)CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000451097056 501245371 /nfs/dbraw/zinc/24/53/71/501245371.db2.gz YQHVOETZRXYYQF-HNNXBMFYSA-N 1 1 370.453 3.208 20 5 FGBDMO C[C@@H]1CN(C2CC2)CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000451097056 501245372 /nfs/dbraw/zinc/24/53/72/501245372.db2.gz YQHVOETZRXYYQF-HNNXBMFYSA-N 1 1 370.453 3.208 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000451226992 501253608 /nfs/dbraw/zinc/25/36/08/501253608.db2.gz KIDXZSUTSPCWIE-HRCADAONSA-N 1 1 353.422 3.245 20 5 FGBDMO CN(Cc1ccco1)C(=O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546357 501319454 /nfs/dbraw/zinc/31/94/54/501319454.db2.gz JBFCYRAJMPDQOF-INIZCTEOSA-N 1 1 357.410 3.026 20 5 FGBDMO CN(Cc1ccco1)C(=O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546357 501319455 /nfs/dbraw/zinc/31/94/55/501319455.db2.gz JBFCYRAJMPDQOF-INIZCTEOSA-N 1 1 357.410 3.026 20 5 FGBDMO CCCC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1OC ZINC000451648781 501343959 /nfs/dbraw/zinc/34/39/59/501343959.db2.gz GUUCIGWFPPGFEL-SJLPKXTDSA-N 1 1 363.458 3.253 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@@H]4C[C@H](O)CC[C@@H]4C3)o2)c1 ZINC000451691323 501351719 /nfs/dbraw/zinc/35/17/19/501351719.db2.gz BWCHPZOVONCEDO-QGPMSJSTSA-N 1 1 371.437 3.275 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(F)c(F)c1N(C)C ZINC000598962193 506248320 /nfs/dbraw/zinc/24/83/20/506248320.db2.gz DWIYRMYNUZETGX-UHFFFAOYSA-N 1 1 351.353 3.237 20 5 FGBDMO CO[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C12CCC2 ZINC000451845193 501384847 /nfs/dbraw/zinc/38/48/47/501384847.db2.gz IDZCXSGTNTVSTG-IRXDYDNUSA-N 1 1 361.442 3.121 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@]4(CCSC4)C3)n2)cc1 ZINC000451962695 501409678 /nfs/dbraw/zinc/40/96/78/501409678.db2.gz FZEXKQJUXHVUFA-QGZVFWFLSA-N 1 1 360.439 3.364 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@]4(CCSC4)C3)n2)c1 ZINC000451965122 501409709 /nfs/dbraw/zinc/40/97/09/501409709.db2.gz LUOIUVIFYQCABE-QGZVFWFLSA-N 1 1 360.439 3.364 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@]4(CCSC4)C3)n2)c1 ZINC000451965122 501409710 /nfs/dbraw/zinc/40/97/10/501409710.db2.gz LUOIUVIFYQCABE-QGZVFWFLSA-N 1 1 360.439 3.364 20 5 FGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000452172360 501452144 /nfs/dbraw/zinc/45/21/44/501452144.db2.gz WJXNNKAWMAWULL-ZIAGYGMSSA-N 1 1 363.483 3.018 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000456342100 501503836 /nfs/dbraw/zinc/50/38/36/501503836.db2.gz QJWZRLMKRXHTDH-MRXNPFEDSA-N 1 1 367.449 3.497 20 5 FGBDMO Cc1cccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000456346804 501505412 /nfs/dbraw/zinc/50/54/12/501505412.db2.gz SWFDBSAEGSUBRN-INIZCTEOSA-N 1 1 367.449 3.497 20 5 FGBDMO C[C@H]1CN(c2ccccc2C[N@H+](C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000459291297 501625733 /nfs/dbraw/zinc/62/57/33/501625733.db2.gz DECXHUXWYLKPJG-INIZCTEOSA-N 1 1 355.438 3.452 20 5 FGBDMO C[C@H]1CN(c2ccccc2C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000459291297 501625734 /nfs/dbraw/zinc/62/57/34/501625734.db2.gz DECXHUXWYLKPJG-INIZCTEOSA-N 1 1 355.438 3.452 20 5 FGBDMO C[C@@H]1CN(c2ccccc2C[N@H+](C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000459291299 501625809 /nfs/dbraw/zinc/62/58/09/501625809.db2.gz DECXHUXWYLKPJG-MRXNPFEDSA-N 1 1 355.438 3.452 20 5 FGBDMO C[C@@H]1CN(c2ccccc2C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000459291299 501625810 /nfs/dbraw/zinc/62/58/10/501625810.db2.gz DECXHUXWYLKPJG-MRXNPFEDSA-N 1 1 355.438 3.452 20 5 FGBDMO C[N@@H+](CCCCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C1CC1 ZINC000457166620 501661008 /nfs/dbraw/zinc/66/10/08/501661008.db2.gz LBBHHILMUAUAHL-UHFFFAOYSA-N 1 1 363.461 3.286 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000459575751 501679750 /nfs/dbraw/zinc/67/97/50/501679750.db2.gz KOYVLPQBPFCVKF-LJQANCHMSA-N 1 1 353.422 3.374 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](Cc1cnn(C)c1)CC(C)C ZINC000459594751 501684019 /nfs/dbraw/zinc/68/40/19/501684019.db2.gz LRENTZMJXGKHEG-UHFFFAOYSA-N 1 1 373.457 3.124 20 5 FGBDMO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000459763828 501710702 /nfs/dbraw/zinc/71/07/02/501710702.db2.gz XHRGQYNQWMEWDJ-KSSFIOAISA-N 1 1 362.401 3.037 20 5 FGBDMO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596138975 506274674 /nfs/dbraw/zinc/27/46/74/506274674.db2.gz PUVQUIRSVGVADV-LBPRGKRZSA-N 1 1 362.817 3.232 20 5 FGBDMO CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460291913 501783094 /nfs/dbraw/zinc/78/30/94/501783094.db2.gz VQPNRZCMTKMHHQ-WMLDXEAASA-N 1 1 372.473 3.040 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000474427542 501832331 /nfs/dbraw/zinc/83/23/31/501832331.db2.gz BGBFIBGMYVSWLR-CQSZACIVSA-N 1 1 372.425 3.245 20 5 FGBDMO COc1ccc(CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC(C)(C)C)cc1 ZINC000478037502 501861093 /nfs/dbraw/zinc/86/10/93/501861093.db2.gz QYYPCMSHILDHSV-UHFFFAOYSA-N 1 1 360.458 3.391 20 5 FGBDMO CC[C@@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000464489478 502004067 /nfs/dbraw/zinc/00/40/67/502004067.db2.gz VUHDZXPSCBJZSJ-CQSZACIVSA-N 1 1 350.394 3.334 20 5 FGBDMO C[C@H](CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)OCc1ccccc1 ZINC000474969283 502007272 /nfs/dbraw/zinc/00/72/72/502007272.db2.gz BMAGZRUXYHCOIZ-SJLPKXTDSA-N 1 1 370.453 3.471 20 5 FGBDMO CCc1ccc([C@@H]([NH2+]C[C@@]2(OC)CCOC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000461090046 502009859 /nfs/dbraw/zinc/00/98/59/502009859.db2.gz YIXQEXKPUSOEME-OALUTQOASA-N 1 1 360.410 3.235 20 5 FGBDMO O=[N+]([O-])c1c2ccncc2ccc1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000599036983 506289165 /nfs/dbraw/zinc/28/91/65/506289165.db2.gz DIICPNIAVHLFQJ-UHFFFAOYSA-N 1 1 364.405 3.171 20 5 FGBDMO Cc1ncc([N+](=O)[O-])n1CC[NH+]1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000602764243 506290126 /nfs/dbraw/zinc/29/01/26/506290126.db2.gz ODDUSHSVNVGTKY-UWVGGRQHSA-N 1 1 374.285 3.162 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@]3(CC[C@@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000475086803 502050154 /nfs/dbraw/zinc/05/01/54/502050154.db2.gz IUFIUAGZPPHRBX-AUUYWEPGSA-N 1 1 362.426 3.159 20 5 FGBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000468488424 502078361 /nfs/dbraw/zinc/07/83/61/502078361.db2.gz PMFJACSORRMKHJ-GOSISDBHSA-N 1 1 374.485 3.045 20 5 FGBDMO CC[N@@H+](CCNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C(C)C ZINC000475225703 502104419 /nfs/dbraw/zinc/10/44/19/502104419.db2.gz UPTCARGVWKKUPN-UHFFFAOYSA-N 1 1 362.352 3.465 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOC[C@@H]1c1ccccc1 ZINC000464829413 502110308 /nfs/dbraw/zinc/11/03/08/502110308.db2.gz JDTSXGITJFECER-LJQANCHMSA-N 1 1 369.421 3.305 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCOC[C@@H]1c1ccccc1 ZINC000464829413 502110312 /nfs/dbraw/zinc/11/03/12/502110312.db2.gz JDTSXGITJFECER-LJQANCHMSA-N 1 1 369.421 3.305 20 5 FGBDMO CN(C(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475295577 502123252 /nfs/dbraw/zinc/12/32/52/502123252.db2.gz FJYDWDHKGQLCLN-INIZCTEOSA-N 1 1 357.385 3.080 20 5 FGBDMO CN(C(=O)CCc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475308226 502127900 /nfs/dbraw/zinc/12/79/00/502127900.db2.gz MROAHXDIGKJQQS-FQEVSTJZSA-N 1 1 367.449 3.260 20 5 FGBDMO Cc1cccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000475319882 502133134 /nfs/dbraw/zinc/13/31/34/502133134.db2.gz JEHBHKZAZPIVBR-KRWDZBQOSA-N 1 1 353.422 3.250 20 5 FGBDMO COC(=O)[C@H](C)[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000482678541 502150402 /nfs/dbraw/zinc/15/04/02/502150402.db2.gz MQXPZNTTZPBRSI-KZULUSFZSA-N 1 1 368.393 3.111 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000468739019 502165874 /nfs/dbraw/zinc/16/58/74/502165874.db2.gz JTLNYCCFNWCULK-UZAOCVSLSA-N 1 1 373.497 3.356 20 5 FGBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000475663589 502245738 /nfs/dbraw/zinc/24/57/38/502245738.db2.gz XHIQKPAUTRVDHZ-FQEVSTJZSA-N 1 1 356.422 3.043 20 5 FGBDMO Cc1cc(NCc2c[nH+]c(N(C)C)n2C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461953701 502250602 /nfs/dbraw/zinc/25/06/02/502250602.db2.gz AZHSEOVQKKFFBO-UHFFFAOYSA-N 1 1 357.336 3.334 20 5 FGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000483055303 502259143 /nfs/dbraw/zinc/25/91/43/502259143.db2.gz SAWBVJVXNIDXRW-GOSISDBHSA-N 1 1 364.442 3.152 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H](c1ncc[nH]1)c1cccnc1 ZINC000479459749 502266969 /nfs/dbraw/zinc/26/69/69/502266969.db2.gz XGLTUEFWBJQSDJ-MRXNPFEDSA-N 1 1 357.801 3.288 20 5 FGBDMO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000472318311 502313525 /nfs/dbraw/zinc/31/35/25/502313525.db2.gz SHSUWWHMYXSYDG-WBVHZDCISA-N 1 1 353.422 3.486 20 5 FGBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc([N+](=O)[O-])c2OC)C1 ZINC000475911945 502330057 /nfs/dbraw/zinc/33/00/57/502330057.db2.gz PQSSWSDJMMQAJS-CQSZACIVSA-N 1 1 363.458 3.234 20 5 FGBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2c2ccc(Br)cc2)c1 ZINC000472439593 502352180 /nfs/dbraw/zinc/35/21/80/502352180.db2.gz UMFAXFDOJPDWGC-HNNXBMFYSA-N 1 1 365.231 3.391 20 5 FGBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]2c2ccc(Br)cc2)c1 ZINC000472439593 502352185 /nfs/dbraw/zinc/35/21/85/502352185.db2.gz UMFAXFDOJPDWGC-HNNXBMFYSA-N 1 1 365.231 3.391 20 5 FGBDMO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487266603 502404855 /nfs/dbraw/zinc/40/48/55/502404855.db2.gz IZJKYCOCBAAKIJ-CRAIPNDOSA-N 1 1 353.422 3.235 20 5 FGBDMO Cc1c(CNC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000480065430 502461825 /nfs/dbraw/zinc/46/18/25/502461825.db2.gz YBEXKVHSTTYZDB-IBGZPJMESA-N 1 1 368.437 3.102 20 5 FGBDMO Cc1c(CNC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000480065430 502461828 /nfs/dbraw/zinc/46/18/28/502461828.db2.gz YBEXKVHSTTYZDB-IBGZPJMESA-N 1 1 368.437 3.102 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c[nH+]ccc1-n1cccn1 ZINC000462497099 502464582 /nfs/dbraw/zinc/46/45/82/502464582.db2.gz XUBRGHMSZPOZBJ-OAHLLOKOSA-N 1 1 365.393 3.383 20 5 FGBDMO C[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@@H](C)C1 ZINC000466243610 502514240 /nfs/dbraw/zinc/51/42/40/502514240.db2.gz VIXGTCCJOHWKEJ-OLZOCXBDSA-N 1 1 368.865 3.168 20 5 FGBDMO C[C@@H]1[C@H](C)N(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC[N@@H+]1C ZINC000462695559 502536905 /nfs/dbraw/zinc/53/69/05/502536905.db2.gz HQNDECZABPXGPI-CABCVRRESA-N 1 1 356.426 3.098 20 5 FGBDMO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000484153649 502586904 /nfs/dbraw/zinc/58/69/04/502586904.db2.gz BNBIPBXXKOAFBL-LRQRDZAKSA-N 1 1 369.465 3.128 20 5 FGBDMO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000484153649 502586909 /nfs/dbraw/zinc/58/69/09/502586909.db2.gz BNBIPBXXKOAFBL-LRQRDZAKSA-N 1 1 369.465 3.128 20 5 FGBDMO Cc1cc(N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c(Br)cc1[N+](=O)[O-] ZINC000473536700 502628562 /nfs/dbraw/zinc/62/85/62/502628562.db2.gz XACGWEFKAYPEMK-XHDPSFHLSA-N 1 1 354.248 3.196 20 5 FGBDMO CNc1c(C(=O)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cccc1[N+](=O)[O-] ZINC000462934944 502632854 /nfs/dbraw/zinc/63/28/54/502632854.db2.gz KZEQOVNZSXVXDX-ZNMIVQPWSA-N 1 1 360.458 3.114 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000484483888 502651109 /nfs/dbraw/zinc/65/11/09/502651109.db2.gz CTWZZZPUIHTVFP-MRXNPFEDSA-N 1 1 361.486 3.357 20 5 FGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2cccnc2)C1 ZINC000602851598 506327232 /nfs/dbraw/zinc/32/72/32/506327232.db2.gz AQCVDNPGFJTXKK-HOCLYGCPSA-N 1 1 354.410 3.196 20 5 FGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](c2cccnc2)C1 ZINC000602851598 506327237 /nfs/dbraw/zinc/32/72/37/506327237.db2.gz AQCVDNPGFJTXKK-HOCLYGCPSA-N 1 1 354.410 3.196 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470137093 502673732 /nfs/dbraw/zinc/67/37/32/502673732.db2.gz REFRGVZVWVZEGO-SCLBCKFNSA-N 1 1 372.400 3.376 20 5 FGBDMO CC[C@H]1Cc2ccccc2C[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000466945926 502735885 /nfs/dbraw/zinc/73/58/85/502735885.db2.gz GGJHOFIAHSWQAW-PKOBYXMFSA-N 1 1 356.422 3.171 20 5 FGBDMO C[C@H]1[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000588771193 506333587 /nfs/dbraw/zinc/33/35/87/506333587.db2.gz DMJROHBOIQRPNW-JXFKEZNVSA-N 1 1 367.449 3.307 20 5 FGBDMO COc1cc(C[N@@H+](C)CC[C@@H]2CCCO2)c([N+](=O)[O-])cc1OCC(F)F ZINC000467146917 502802675 /nfs/dbraw/zinc/80/26/75/502802675.db2.gz HRWBJZDUOIAKMW-ZDUSSCGKSA-N 1 1 374.384 3.248 20 5 FGBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@](CO)(Cc3ccccc3)C2)c1 ZINC000463443418 502806996 /nfs/dbraw/zinc/80/69/96/502806996.db2.gz OHNXYABNTPUSMM-NRFANRHFSA-N 1 1 370.449 3.291 20 5 FGBDMO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1C ZINC000489043836 502866926 /nfs/dbraw/zinc/86/69/26/502866926.db2.gz ZIWMGKMGXLGTQW-CQSZACIVSA-N 1 1 357.410 3.371 20 5 FGBDMO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1C ZINC000489043836 502866927 /nfs/dbraw/zinc/86/69/27/502866927.db2.gz ZIWMGKMGXLGTQW-CQSZACIVSA-N 1 1 357.410 3.371 20 5 FGBDMO COc1ccc(C[N@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1C ZINC000489120972 502883534 /nfs/dbraw/zinc/88/35/34/502883534.db2.gz FCTPUHIBNJCYLW-UHFFFAOYSA-N 1 1 357.410 3.291 20 5 FGBDMO COc1ccc(C[N@@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1C ZINC000489120972 502883537 /nfs/dbraw/zinc/88/35/37/502883537.db2.gz FCTPUHIBNJCYLW-UHFFFAOYSA-N 1 1 357.410 3.291 20 5 FGBDMO CCc1ccc([C@H]2CN(C(=O)Cc3cccc([N+](=O)[O-])c3C)CC[NH2+]2)cc1 ZINC000505498066 502917770 /nfs/dbraw/zinc/91/77/70/502917770.db2.gz HNXGUHBKFFNHFJ-LJQANCHMSA-N 1 1 367.449 3.181 20 5 FGBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)C2)C1 ZINC000505539500 502931243 /nfs/dbraw/zinc/93/12/43/502931243.db2.gz WRIQIHQOZRJTGY-HXUWFJFHSA-N 1 1 359.470 3.450 20 5 FGBDMO CCOc1cc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)ccc1OC ZINC000505564747 502936673 /nfs/dbraw/zinc/93/66/73/502936673.db2.gz PQBVTJWMWLEMCO-UHFFFAOYSA-N 1 1 371.437 3.324 20 5 FGBDMO CC(C)(C)c1ccc(C(=O)N2CC[C@H]([NH+]3CCC3)[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000588816488 506345190 /nfs/dbraw/zinc/34/51/90/506345190.db2.gz SRGRSXCOARJKNR-HOTGVXAUSA-N 1 1 363.433 3.151 20 5 FGBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@H]2/C=C/c2ccccc2)c([N+](=O)[O-])c1 ZINC000505841720 502997195 /nfs/dbraw/zinc/99/71/95/502997195.db2.gz XRLAQYRNGUHLEA-MZEUMTGBSA-N 1 1 351.406 3.372 20 5 FGBDMO CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000506056340 503039222 /nfs/dbraw/zinc/03/92/22/503039222.db2.gz STHRWVRJUJOAEB-UHFFFAOYSA-N 1 1 374.393 3.363 20 5 FGBDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000506056340 503039226 /nfs/dbraw/zinc/03/92/26/503039226.db2.gz STHRWVRJUJOAEB-UHFFFAOYSA-N 1 1 374.393 3.363 20 5 FGBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[N@H+]1CCCC[C@@H]1C ZINC000497924255 503068011 /nfs/dbraw/zinc/06/80/11/503068011.db2.gz HNMFIAQDQCCMCO-KBPBESRZSA-N 1 1 356.426 3.136 20 5 FGBDMO COc1cccc([C@@H]2CCC[N@H+]2C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000514522446 503133473 /nfs/dbraw/zinc/13/34/73/503133473.db2.gz GADBLYRPSCXKQF-XLIONFOSSA-N 1 1 372.421 3.180 20 5 FGBDMO COc1cc(C[NH2+][C@@H](CO)c2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000602927265 506356009 /nfs/dbraw/zinc/35/60/09/506356009.db2.gz YXJOBFURIKPTPD-AWEZNQCLSA-N 1 1 370.327 3.445 20 5 FGBDMO O=[N+]([O-])c1cc(F)c(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c(F)c1 ZINC000510762970 503187250 /nfs/dbraw/zinc/18/72/50/503187250.db2.gz KINVOXIXAXHNGY-IYBDPMFKSA-N 1 1 373.403 3.437 20 5 FGBDMO C[C@]1(CNC(=O)c2ccc([N+](=O)[O-])s2)CCC[N@H+]1Cc1ccccc1 ZINC000490523044 503189186 /nfs/dbraw/zinc/18/91/86/503189186.db2.gz DGYXLUDLOBGCJH-GOSISDBHSA-N 1 1 359.451 3.441 20 5 FGBDMO Cc1ccc2nc(C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc(=O)n2c1 ZINC000490823458 503232566 /nfs/dbraw/zinc/23/25/66/503232566.db2.gz SDFNWGOKYNCPJG-UHFFFAOYSA-N 1 1 364.405 3.076 20 5 FGBDMO Cc1ccc2nc(C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc(=O)n2c1 ZINC000490823458 503232570 /nfs/dbraw/zinc/23/25/70/503232570.db2.gz SDFNWGOKYNCPJG-UHFFFAOYSA-N 1 1 364.405 3.076 20 5 FGBDMO Cc1ccccc1[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000507163893 503242219 /nfs/dbraw/zinc/24/22/19/503242219.db2.gz HNYSICKJEZCYGP-AEFFLSMTSA-N 1 1 356.422 3.132 20 5 FGBDMO CCOc1ccccc1NC(=O)[C@@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511059874 503243909 /nfs/dbraw/zinc/24/39/09/503243909.db2.gz PHXHSBNBYBMCQY-OAHLLOKOSA-N 1 1 371.437 3.495 20 5 FGBDMO CCOc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511059874 503243912 /nfs/dbraw/zinc/24/39/12/503243912.db2.gz PHXHSBNBYBMCQY-OAHLLOKOSA-N 1 1 371.437 3.495 20 5 FGBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000511108289 503256544 /nfs/dbraw/zinc/25/65/44/503256544.db2.gz PTNWOUSMIUJIMV-LJQANCHMSA-N 1 1 371.412 3.228 20 5 FGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000511108289 503256546 /nfs/dbraw/zinc/25/65/46/503256546.db2.gz PTNWOUSMIUJIMV-LJQANCHMSA-N 1 1 371.412 3.228 20 5 FGBDMO Cn1c2ccc(C[N@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)cc2oc1=O ZINC000507242148 503258314 /nfs/dbraw/zinc/25/83/14/503258314.db2.gz DIDZGPFRUZAPJF-UHFFFAOYSA-N 1 1 353.378 3.204 20 5 FGBDMO Cn1c2ccc(C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)cc2oc1=O ZINC000507242148 503258317 /nfs/dbraw/zinc/25/83/17/503258317.db2.gz 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JWIMZIQKJCXEEB-OLZOCXBDSA-N 1 1 369.421 3.210 20 5 FGBDMO COc1ccc2c(c1)C[C@@H](C)[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]2C ZINC000541020833 503976939 /nfs/dbraw/zinc/97/69/39/503976939.db2.gz JWIMZIQKJCXEEB-OLZOCXBDSA-N 1 1 369.421 3.210 20 5 FGBDMO Cc1cccc([C@@H]2CC[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000544187272 504039682 /nfs/dbraw/zinc/03/96/82/504039682.db2.gz NVWUOTGVVGCLTA-IEBWSBKVSA-N 1 1 356.422 3.132 20 5 FGBDMO CCOc1cc(NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000537833365 504057745 /nfs/dbraw/zinc/05/77/45/504057745.db2.gz CDUQKVGNVUBOOJ-HXUWFJFHSA-N 1 1 371.437 3.042 20 5 FGBDMO Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1C ZINC000534511553 504159954 /nfs/dbraw/zinc/15/99/54/504159954.db2.gz CNQZODUACAASBA-GOSISDBHSA-N 1 1 370.449 3.318 20 5 FGBDMO Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1C ZINC000534511553 504159959 /nfs/dbraw/zinc/15/99/59/504159959.db2.gz CNQZODUACAASBA-GOSISDBHSA-N 1 1 370.449 3.318 20 5 FGBDMO COc1ccccc1[C@@H](C)N(C)C(=O)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000538278072 504186316 /nfs/dbraw/zinc/18/63/16/504186316.db2.gz JUZXRLRATOOSNX-HUUCEWRRSA-N 1 1 371.437 3.474 20 5 FGBDMO CC(C)CCn1cccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000535072349 504335143 /nfs/dbraw/zinc/33/51/43/504335143.db2.gz RIZJWQYJQUPQPA-UHFFFAOYSA-N 1 1 357.458 3.160 20 5 FGBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccc(Br)o1 ZINC000520059511 504404555 /nfs/dbraw/zinc/40/45/55/504404555.db2.gz IISHCWYXFHTAJX-UHFFFAOYSA-N 1 1 355.188 3.461 20 5 FGBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000542354195 504460198 /nfs/dbraw/zinc/46/01/98/504460198.db2.gz WOJZZFGTANKBLU-CYBMUJFWSA-N 1 1 371.890 3.331 20 5 FGBDMO Cc1sc(C(=O)N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000520424598 504495770 /nfs/dbraw/zinc/49/57/70/504495770.db2.gz SQMKYDGGUAVWMQ-MBNYWOFBSA-N 1 1 351.472 3.442 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])C1 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/nfs/dbraw/zinc/65/61/67/504656167.db2.gz HXVOUBIAUSKSHX-QAPCUYQASA-N 1 1 352.438 3.281 20 5 FGBDMO Cc1ccccc1[C@H](C)[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000532493322 504669138 /nfs/dbraw/zinc/66/91/38/504669138.db2.gz OHQZWVDHSGEKPK-HNNXBMFYSA-N 1 1 353.422 3.485 20 5 FGBDMO COc1ccc(NC(=O)NCCC[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000542958913 504672908 /nfs/dbraw/zinc/67/29/08/504672908.db2.gz PDCXNFYTHQPZIC-UHFFFAOYSA-N 1 1 372.425 3.247 20 5 FGBDMO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCN(c2ccccc2F)C1=O ZINC000539841038 504713947 /nfs/dbraw/zinc/71/39/47/504713947.db2.gz VWHOOUXDMQZTLH-MONCILHSSA-N 1 1 369.396 3.484 20 5 FGBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCN(c2ccccc2F)C1=O ZINC000539841038 504713952 /nfs/dbraw/zinc/71/39/52/504713952.db2.gz VWHOOUXDMQZTLH-MONCILHSSA-N 1 1 369.396 3.484 20 5 FGBDMO Cc1c(CNC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000565191692 504821713 /nfs/dbraw/zinc/82/17/13/504821713.db2.gz SSBGXFXYWKLTKW-SFHVURJKSA-N 1 1 353.422 3.042 20 5 FGBDMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000562496328 504837334 /nfs/dbraw/zinc/83/73/34/504837334.db2.gz IMFLWQKDHNEFIO-SFHVURJKSA-N 1 1 368.405 3.154 20 5 FGBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000553168431 504843140 /nfs/dbraw/zinc/84/31/40/504843140.db2.gz IYAJBROALGGEGJ-WMLDXEAASA-N 1 1 373.453 3.143 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCC(O[C@@H]4CCOC4)CC3)co2)cc1 ZINC000559987830 504964358 /nfs/dbraw/zinc/96/43/58/504964358.db2.gz SZUZJNJGKJHSEN-GOSISDBHSA-N 1 1 373.409 3.020 20 5 FGBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC000550112961 504969223 /nfs/dbraw/zinc/96/92/23/504969223.db2.gz XRQQUVKJFJJQTG-UHFFFAOYSA-N 1 1 371.412 3.125 20 5 FGBDMO Cc1cc(N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)ncc1[N+](=O)[O-] ZINC000553677146 504980972 /nfs/dbraw/zinc/98/09/72/504980972.db2.gz RJPMTIFWJNXCNU-FQEVSTJZSA-N 1 1 352.438 3.401 20 5 FGBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000565802949 504991382 /nfs/dbraw/zinc/99/13/82/504991382.db2.gz KVBYHIZANBVOAJ-LLVKDONJSA-N 1 1 374.388 3.438 20 5 FGBDMO C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000560526430 505115496 /nfs/dbraw/zinc/11/54/96/505115496.db2.gz DKWBWUOJNBXSEM-IFXJQAMLSA-N 1 1 366.421 3.344 20 5 FGBDMO COc1cc(N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)c(F)cc1[N+](=O)[O-] ZINC000563468770 505148661 /nfs/dbraw/zinc/14/86/61/505148661.db2.gz KGIQZXFUQFDGKB-HNNXBMFYSA-N 1 1 359.401 3.106 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccnc(N)c2[N+](=O)[O-])cc1 ZINC000566439709 505176693 /nfs/dbraw/zinc/17/66/93/505176693.db2.gz LOFGGIRLRQRQMI-CYBMUJFWSA-N 1 1 369.425 3.029 20 5 FGBDMO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000566525950 505195539 /nfs/dbraw/zinc/19/55/39/505195539.db2.gz AHMCBTNUTHACLE-PXNSSMCTSA-N 1 1 374.437 3.426 20 5 FGBDMO COc1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000557964686 505273746 /nfs/dbraw/zinc/27/37/46/505273746.db2.gz ISKUSQVHCHFNPH-KRWDZBQOSA-N 1 1 370.409 3.124 20 5 FGBDMO COc1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000557964686 505273749 /nfs/dbraw/zinc/27/37/49/505273749.db2.gz ISKUSQVHCHFNPH-KRWDZBQOSA-N 1 1 370.409 3.124 20 5 FGBDMO Cc1[nH+]ccn1CCCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000554839694 505276896 /nfs/dbraw/zinc/27/68/96/505276896.db2.gz LNBFNXDCEQNQAF-UHFFFAOYSA-N 1 1 360.417 3.006 20 5 FGBDMO CSc1cccc(C(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000558011044 505284149 /nfs/dbraw/zinc/28/41/49/505284149.db2.gz LZBSRWKTSOHFNR-UMVBOHGHSA-N 1 1 363.483 3.119 20 5 FGBDMO CCc1cc(N2CC[N@H+](CC)C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000561357195 505324211 /nfs/dbraw/zinc/32/42/11/505324211.db2.gz UFAMJOMPRPSXPP-CQSZACIVSA-N 1 1 355.442 3.145 20 5 FGBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000558175413 505327380 /nfs/dbraw/zinc/32/73/80/505327380.db2.gz KYKFFPZWHDROSO-HXUWFJFHSA-N 1 1 374.412 3.040 20 5 FGBDMO CC(C)C[C@@H](CCO)C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000552047916 505380838 /nfs/dbraw/zinc/38/08/38/505380838.db2.gz AGVVYVRWFTYRIS-CRAIPNDOSA-N 1 1 360.458 3.052 20 5 FGBDMO CSc1ccc(C(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000561759933 505428845 /nfs/dbraw/zinc/42/88/45/505428845.db2.gz FKNMLMHIIKKCOU-KCQAQPDRSA-N 1 1 363.483 3.119 20 5 FGBDMO COc1ccc(C[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])[C@H](CO)C(C)C)cc1 ZINC000555420632 505428878 /nfs/dbraw/zinc/42/88/78/505428878.db2.gz NNNZNNXJHXWBAH-HXUWFJFHSA-N 1 1 374.437 3.328 20 5 FGBDMO COc1ccc(CN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@H](CO)C(C)C)cc1 ZINC000555420632 505428881 /nfs/dbraw/zinc/42/88/81/505428881.db2.gz NNNZNNXJHXWBAH-HXUWFJFHSA-N 1 1 374.437 3.328 20 5 FGBDMO C[C@@H](C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000558691478 505465158 /nfs/dbraw/zinc/46/51/58/505465158.db2.gz AMWDTNHHWYANEK-IAGOWNOFSA-N 1 1 367.449 3.431 20 5 FGBDMO C[C@@H](C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000558691478 505465161 /nfs/dbraw/zinc/46/51/61/505465161.db2.gz AMWDTNHHWYANEK-IAGOWNOFSA-N 1 1 367.449 3.431 20 5 FGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000558740216 505478926 /nfs/dbraw/zinc/47/89/26/505478926.db2.gz CDQLKPKLLAYCCD-IBGZPJMESA-N 1 1 371.412 3.404 20 5 FGBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000558742959 505479925 /nfs/dbraw/zinc/47/99/25/505479925.db2.gz QMYAZWYTJRZRIX-CRAIPNDOSA-N 1 1 368.437 3.230 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000567789783 505563397 /nfs/dbraw/zinc/56/33/97/505563397.db2.gz DNBFBZXHARTGED-CRAIPNDOSA-N 1 1 361.442 3.123 20 5 FGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000588985366 506406168 /nfs/dbraw/zinc/40/61/68/506406168.db2.gz SGZIUMDSVQSGJI-IBGZPJMESA-N 1 1 362.376 3.300 20 5 FGBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000588985366 506406173 /nfs/dbraw/zinc/40/61/73/506406173.db2.gz SGZIUMDSVQSGJI-IBGZPJMESA-N 1 1 362.376 3.300 20 5 FGBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1OCC ZINC000589007765 506410124 /nfs/dbraw/zinc/41/01/24/506410124.db2.gz JZCWIWJJHDHSJD-ZDUSSCGKSA-N 1 1 352.435 3.235 20 5 FGBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCCC23CCCCC3)cc1 ZINC000612107876 506438748 /nfs/dbraw/zinc/43/87/48/506438748.db2.gz UUGJTFHXQHLPHZ-UHFFFAOYSA-N 1 1 352.456 3.167 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000596526593 506448118 /nfs/dbraw/zinc/44/81/18/506448118.db2.gz QODRRFXYPDRHGP-MRXNPFEDSA-N 1 1 355.442 3.043 20 5 FGBDMO O=[N+]([O-])c1ccc(CCn2cc(C[NH2+][C@H]3CCc4ccccc43)nn2)cc1 ZINC000603193722 506452759 /nfs/dbraw/zinc/45/27/59/506452759.db2.gz BZYJLVWLJDQYDH-FQEVSTJZSA-N 1 1 363.421 3.206 20 5 FGBDMO CC[NH+](CC)Cc1cn(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)nn1 ZINC000603231033 506462190 /nfs/dbraw/zinc/46/21/90/506462190.db2.gz JZMWBBUPRVFRQN-UHFFFAOYSA-N 1 1 357.336 3.095 20 5 FGBDMO C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000593227513 506480966 /nfs/dbraw/zinc/48/09/66/506480966.db2.gz UQPBXGJGDDMAED-RRFJBIMHSA-N 1 1 357.410 3.311 20 5 FGBDMO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000593227513 506480971 /nfs/dbraw/zinc/48/09/71/506480971.db2.gz UQPBXGJGDDMAED-RRFJBIMHSA-N 1 1 357.410 3.311 20 5 FGBDMO O=C([C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1)N1CCCC1 ZINC000589204796 506483822 /nfs/dbraw/zinc/48/38/22/506483822.db2.gz ISEMPIXHMMQIQO-INIZCTEOSA-N 1 1 369.421 3.299 20 5 FGBDMO Cc1noc(CN2CC[N@H+](Cc3ccccc3)C[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000599536141 506490149 /nfs/dbraw/zinc/49/01/49/506490149.db2.gz GNILQCYIUIIHPC-QGZVFWFLSA-N 1 1 358.442 3.234 20 5 FGBDMO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000599657432 506558002 /nfs/dbraw/zinc/55/80/02/506558002.db2.gz KSKUWSNFGCRMBW-RBSFLKMASA-N 1 1 352.818 3.412 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000599657432 506558009 /nfs/dbraw/zinc/55/80/09/506558009.db2.gz KSKUWSNFGCRMBW-RBSFLKMASA-N 1 1 352.818 3.412 20 5 FGBDMO Cc1ccc2c(C)cc(N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)[nH+]c2c1 ZINC000603580291 506563636 /nfs/dbraw/zinc/56/36/36/506563636.db2.gz XMGMAZQDCHGCGL-UHFFFAOYSA-N 1 1 363.421 3.481 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)CCOc2ccc(C)cc2)c1 ZINC000589495006 506568442 /nfs/dbraw/zinc/56/84/42/506568442.db2.gz QRGARWRWMWPHEC-UHFFFAOYSA-N 1 1 358.394 3.201 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)CCOc2ccc(C)cc2)c1 ZINC000589495006 506568446 /nfs/dbraw/zinc/56/84/46/506568446.db2.gz QRGARWRWMWPHEC-UHFFFAOYSA-N 1 1 358.394 3.201 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](c3ccccc3OC)C2)c1 ZINC000589501926 506570586 /nfs/dbraw/zinc/57/05/86/506570586.db2.gz KKYQKTGLBUFAAN-HNNXBMFYSA-N 1 1 370.405 3.380 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](Cc2ccccc2)CC(C)(C)O)c1 ZINC000589503213 506572816 /nfs/dbraw/zinc/57/28/16/506572816.db2.gz WWUAMZCFSFRCKZ-UHFFFAOYSA-N 1 1 372.421 3.155 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](Cc2ccccc2)CC(C)(C)O)c1 ZINC000589503213 506572822 /nfs/dbraw/zinc/57/28/22/506572822.db2.gz WWUAMZCFSFRCKZ-UHFFFAOYSA-N 1 1 372.421 3.155 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](c2ccc(OC)nc2)C2CC2)c1 ZINC000599702916 506590679 /nfs/dbraw/zinc/59/06/79/506590679.db2.gz LRKVEZLRGVUQIA-GOSISDBHSA-N 1 1 371.393 3.026 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593408832 506605579 /nfs/dbraw/zinc/60/55/79/506605579.db2.gz WLZLISMBIWGEQV-CQSZACIVSA-N 1 1 351.422 3.047 20 5 FGBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccc([N+](=O)[O-])c4ccncc34)C2)C1 ZINC000599840953 506673941 /nfs/dbraw/zinc/67/39/41/506673941.db2.gz WFOAZGCYNXBTAK-LJQANCHMSA-N 1 1 369.425 3.093 20 5 FGBDMO Cc1nccc([C@@H]2CCC[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000604013602 506685296 /nfs/dbraw/zinc/68/52/96/506685296.db2.gz TZQBDGPLVMMXOW-MRXNPFEDSA-N 1 1 356.426 3.342 20 5 FGBDMO C[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000604122361 506721921 /nfs/dbraw/zinc/72/19/21/506721921.db2.gz LSBRFKKXXUWEPW-YJBOKZPZSA-N 1 1 368.437 3.230 20 5 FGBDMO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000593673378 506722798 /nfs/dbraw/zinc/72/27/98/506722798.db2.gz HBTZGUWWYUIPMH-CHWSQXEVSA-N 1 1 366.801 3.090 20 5 FGBDMO CC(C)COc1ccccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000608857588 506727804 /nfs/dbraw/zinc/72/78/04/506727804.db2.gz ZRTQDVSDUKLDSZ-UHFFFAOYSA-N 1 1 370.453 3.347 20 5 FGBDMO O=C(CC[N@H+]1CC[C@](F)(c2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000583511961 506821028 /nfs/dbraw/zinc/82/10/28/506821028.db2.gz CEMBGWLJQDWUPH-LJQANCHMSA-N 1 1 357.385 3.494 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+]3CC[C@@H]4COC[C@@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000597232374 506850210 /nfs/dbraw/zinc/85/02/10/506850210.db2.gz UIPINGAZPDKKHB-KGLIPLIRSA-N 1 1 358.394 3.332 20 5 FGBDMO CC(C)(C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000600228417 506859857 /nfs/dbraw/zinc/85/98/57/506859857.db2.gz LTDKQSXJNUQYDP-SFHVURJKSA-N 1 1 359.470 3.396 20 5 FGBDMO COC(=O)c1ccnc(NCc2ccccc2C[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000590571338 506865554 /nfs/dbraw/zinc/86/55/54/506865554.db2.gz ALYSERUKHAMSHM-UHFFFAOYSA-N 1 1 372.425 3.229 20 5 FGBDMO C[N@H+]1CCCC[C@H](CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000600313898 506900203 /nfs/dbraw/zinc/90/02/03/506900203.db2.gz LIWYSIAUFHKJPT-CYBMUJFWSA-N 1 1 374.466 3.180 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594195974 506999185 /nfs/dbraw/zinc/99/91/85/506999185.db2.gz JORSQDDTSMHOGR-ZIAGYGMSSA-N 1 1 351.834 3.303 20 5 FGBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000594198704 507002562 /nfs/dbraw/zinc/00/25/62/507002562.db2.gz VDMUJRFDEPEFPT-HIFRSBDPSA-N 1 1 371.359 3.360 20 5 FGBDMO COc1cc(C[N@@H+]2CCC[C@@H](c3ccnc(C)n3)C2)c([N+](=O)[O-])cc1F ZINC000613285989 507011709 /nfs/dbraw/zinc/01/17/09/507011709.db2.gz JEMBGTHFWZQFME-CYBMUJFWSA-N 1 1 360.389 3.221 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@@H](c3ccnc(C)n3)C2)c([N+](=O)[O-])cc1F ZINC000613285989 507011713 /nfs/dbraw/zinc/01/17/13/507011713.db2.gz JEMBGTHFWZQFME-CYBMUJFWSA-N 1 1 360.389 3.221 20 5 FGBDMO C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000583898793 507039009 /nfs/dbraw/zinc/03/90/09/507039009.db2.gz LZULQLDDYCXUMY-JKSUJKDBSA-N 1 1 371.437 3.150 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c([N+](=O)[O-])cc1F ZINC000613383410 507060970 /nfs/dbraw/zinc/06/09/70/507060970.db2.gz NLGDXXVRWKAXSJ-ZIAGYGMSSA-N 1 1 352.406 3.381 20 5 FGBDMO C[C@@H]1c2c(F)cccc2CC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000610004196 507068968 /nfs/dbraw/zinc/06/89/68/507068968.db2.gz FICNZUGLDNABAY-CJNGLKHVSA-N 1 1 360.385 3.093 20 5 FGBDMO C[C@@H]1c2c(F)cccc2CC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000610004196 507068974 /nfs/dbraw/zinc/06/89/74/507068974.db2.gz FICNZUGLDNABAY-CJNGLKHVSA-N 1 1 360.385 3.093 20 5 FGBDMO Cc1ccc(NCCCNC(=O)[C@H](c2ccccc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000610070176 507088483 /nfs/dbraw/zinc/08/84/83/507088483.db2.gz XYPIUIPGTMSLMT-IBGZPJMESA-N 1 1 370.453 3.124 20 5 FGBDMO CC[C@H](c1ccc(-c2cc([N+](=O)[O-])ccc2CO)cc1)[NH+]1CCNCC1 ZINC000600781545 507118672 /nfs/dbraw/zinc/11/86/72/507118672.db2.gz DAWAERNFBDGXOP-HXUWFJFHSA-N 1 1 355.438 3.110 20 5 FGBDMO Cc1cnc(CC[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000594509351 507161476 /nfs/dbraw/zinc/16/14/76/507161476.db2.gz HTKNHEYSYABBQT-LJQANCHMSA-N 1 1 365.437 3.262 20 5 FGBDMO C[C@H](Cc1ccccn1)[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000594514202 507164733 /nfs/dbraw/zinc/16/47/33/507164733.db2.gz HXKRLBQWTPAWOD-KDOFPFPSSA-N 1 1 351.410 3.034 20 5 FGBDMO C[C@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594592627 507200861 /nfs/dbraw/zinc/20/08/61/507200861.db2.gz URZKIARUOFYOQV-UTUOFQBUSA-N 1 1 359.373 3.106 20 5 FGBDMO C[C@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594592627 507200868 /nfs/dbraw/zinc/20/08/68/507200868.db2.gz URZKIARUOFYOQV-UTUOFQBUSA-N 1 1 359.373 3.106 20 5 FGBDMO O=C(CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1)NC1CCCC1 ZINC000610476294 507255320 /nfs/dbraw/zinc/25/53/20/507255320.db2.gz WQWRWGRDZLGESK-UHFFFAOYSA-N 1 1 363.433 3.395 20 5 FGBDMO CCN1CC[NH+](Cc2ccccc2CNc2ccc([N+](=O)[O-])s2)CC1 ZINC000610514725 507273254 /nfs/dbraw/zinc/27/32/54/507273254.db2.gz PZGIXMSMVLPLQW-UHFFFAOYSA-N 1 1 360.483 3.406 20 5 FGBDMO C[C@@](CO)([NH2+]Cc1ccc(Br)s1)c1cccc([N+](=O)[O-])c1 ZINC000601150330 507278844 /nfs/dbraw/zinc/27/88/44/507278844.db2.gz VRABDCTUQHPXNR-AWEZNQCLSA-N 1 1 371.256 3.416 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@@H](C(F)(F)F)[C@H](CO)C3)c2c1 ZINC000601164901 507284983 /nfs/dbraw/zinc/28/49/83/507284983.db2.gz HZYXMNXESDITGJ-GXFFZTMASA-N 1 1 355.316 3.140 20 5 FGBDMO COCC[N@@H+](CCc1ccccc1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581469 507301960 /nfs/dbraw/zinc/30/19/60/507301960.db2.gz HEFLSJQTQZSCBO-UHFFFAOYSA-N 1 1 355.394 3.427 20 5 FGBDMO CCS(=O)(=O)c1ccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])s1 ZINC000584420422 507334832 /nfs/dbraw/zinc/33/48/32/507334832.db2.gz IAESFKUGTMRIKK-AWEZNQCLSA-N 1 1 366.464 3.227 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCOCC3(CCCC3)C2)cccc1[N+](=O)[O-] ZINC000614222991 507412031 /nfs/dbraw/zinc/41/20/31/507412031.db2.gz YTSIFLMVPRDKEZ-OAHLLOKOSA-N 1 1 361.442 3.123 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCOCC3(CCCC3)C2)cccc1[N+](=O)[O-] ZINC000614222991 507412036 /nfs/dbraw/zinc/41/20/36/507412036.db2.gz YTSIFLMVPRDKEZ-OAHLLOKOSA-N 1 1 361.442 3.123 20 5 FGBDMO Cc1noc(C[NH+]2CCC(CN3CCc4ccccc43)CC2)c1[N+](=O)[O-] ZINC000595318290 507459012 /nfs/dbraw/zinc/45/90/12/507459012.db2.gz UIEZBLHZBJLGFF-UHFFFAOYSA-N 1 1 356.426 3.166 20 5 FGBDMO Cc1noc(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000595341531 507466667 /nfs/dbraw/zinc/46/66/67/507466667.db2.gz CEKCASPLQUFWSP-PBHICJAKSA-N 1 1 358.442 3.376 20 5 FGBDMO CC(C)CC[C@H](O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132241 507497734 /nfs/dbraw/zinc/49/77/34/507497734.db2.gz DKSGBLGOIAUUTA-FHWLQOOXSA-N 1 1 364.486 3.497 20 5 FGBDMO O=C(C[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000592134976 507497772 /nfs/dbraw/zinc/49/77/72/507497772.db2.gz XMCHLEYRVAXQJV-WBMJQRKESA-N 1 1 367.833 3.078 20 5 FGBDMO O=C(C[N@H+]1CCC[C@H]1[C@@H]1CCCOC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000592134976 507497776 /nfs/dbraw/zinc/49/77/76/507497776.db2.gz XMCHLEYRVAXQJV-WBMJQRKESA-N 1 1 367.833 3.078 20 5 FGBDMO CC(C)(C)[C@H](O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132481 507497827 /nfs/dbraw/zinc/49/78/27/507497827.db2.gz HAMDGZJGCIVGEC-JFIYKMOQSA-N 1 1 350.459 3.107 20 5 FGBDMO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3c(F)cccc3[N+](=O)[O-])C2)cc1 ZINC000601878490 507498437 /nfs/dbraw/zinc/49/84/37/507498437.db2.gz AUXNXTSJEUNQBE-OAHLLOKOSA-N 1 1 357.385 3.047 20 5 FGBDMO Cc1ccc(C[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC2CC2)cn1 ZINC000592146469 507509456 /nfs/dbraw/zinc/50/94/56/507509456.db2.gz QPUFBIYJLVWOGM-UHFFFAOYSA-N 1 1 368.437 3.457 20 5 FGBDMO Cc1ccc(C[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC2CC2)cn1 ZINC000592146469 507509460 /nfs/dbraw/zinc/50/94/60/507509460.db2.gz QPUFBIYJLVWOGM-UHFFFAOYSA-N 1 1 368.437 3.457 20 5 FGBDMO O=C([C@H]1CC12CC[NH+](Cc1csc([N+](=O)[O-])c1)CC2)N1CCCCC1 ZINC000611303571 507613395 /nfs/dbraw/zinc/61/33/95/507613395.db2.gz DSZGFXXBLZLGDG-OAHLLOKOSA-N 1 1 363.483 3.271 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC=C(c3ccccc3)C2)c1 ZINC000585756041 507617553 /nfs/dbraw/zinc/61/75/53/507617553.db2.gz XJTQWLROQKMPCF-LJQANCHMSA-N 1 1 354.406 3.124 20 5 FGBDMO COc1ccc(C[N@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000595746528 507660566 /nfs/dbraw/zinc/66/05/66/507660566.db2.gz BJTCOEBNXRCNOR-ZWKOTPCHSA-N 1 1 356.422 3.201 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](CCF)C1 ZINC000595756749 507669789 /nfs/dbraw/zinc/66/97/89/507669789.db2.gz WHUUCRBYSPRDCE-ZDUSSCGKSA-N 1 1 353.394 3.004 20 5 FGBDMO O=C(CC[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595788860 507684754 /nfs/dbraw/zinc/68/47/54/507684754.db2.gz KBQGSZCYAUNFJS-MAUKXSAKSA-N 1 1 361.442 3.205 20 5 FGBDMO O=[N+]([O-])c1cc2c(ncnc2Nc2cccc(C[NH+]3CCOCC3)c2)s1 ZINC000587543254 507711923 /nfs/dbraw/zinc/71/19/23/507711923.db2.gz JGJOKJZOIUJETH-UHFFFAOYSA-N 1 1 371.422 3.175 20 5 FGBDMO COc1cc(C[N@@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000611515375 507716314 /nfs/dbraw/zinc/71/63/14/507716314.db2.gz WJFMNVMZEZYYQU-CALCHBBNSA-N 1 1 353.422 3.172 20 5 FGBDMO C[C@H]1C[C@H](N(C)Cc2cc(Br)c([N+](=O)[O-])s2)CC[N@H+]1C ZINC000602475598 507719682 /nfs/dbraw/zinc/71/96/82/507719682.db2.gz LHPMXQYXVAXETA-VHSXEESVSA-N 1 1 362.293 3.333 20 5 FGBDMO CN(C(=O)C[N@@H+](C)C[C@H]1CCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000595877257 507723686 /nfs/dbraw/zinc/72/36/86/507723686.db2.gz IMTVKHLXYFZAFH-MRXNPFEDSA-N 1 1 353.422 3.219 20 5 FGBDMO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602512945 507733788 /nfs/dbraw/zinc/73/37/88/507733788.db2.gz YDLKIIDMCQCIQX-LLVKDONJSA-N 1 1 371.260 3.320 20 5 FGBDMO C[C@@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000611572902 507747304 /nfs/dbraw/zinc/74/73/04/507747304.db2.gz PHRCJNRWUAYZRU-UKRRQHHQSA-N 1 1 370.453 3.459 20 5 FGBDMO CCCO[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000108392531 700525438 /nfs/dbraw/zinc/52/54/38/700525438.db2.gz IXCUGDCQQQVUGW-CQSZACIVSA-N 1 1 369.849 3.468 20 5 FGBDMO CCCO[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000108392531 700525443 /nfs/dbraw/zinc/52/54/43/700525443.db2.gz IXCUGDCQQQVUGW-CQSZACIVSA-N 1 1 369.849 3.468 20 5 FGBDMO CCCO[C@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000108396727 700525558 /nfs/dbraw/zinc/52/55/58/700525558.db2.gz QGFUHVLISHVNCR-AWEZNQCLSA-N 1 1 369.849 3.468 20 5 FGBDMO CCCO[C@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000108396727 700525560 /nfs/dbraw/zinc/52/55/60/700525560.db2.gz QGFUHVLISHVNCR-AWEZNQCLSA-N 1 1 369.849 3.468 20 5 FGBDMO Cc1cc(F)cc(C(=O)N(C)CC[N@@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000176221913 705576759 /nfs/dbraw/zinc/57/67/59/705576759.db2.gz DMJNJXHGRNOUKQ-UHFFFAOYSA-N 1 1 351.422 3.379 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000253101843 713673852 /nfs/dbraw/zinc/67/38/52/713673852.db2.gz XNJLWGQXCWTOPY-KGLIPLIRSA-N 1 1 354.248 3.074 20 5 FGBDMO Cn1cc[nH+]c1[C@H]1CCCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000443955667 714032788 /nfs/dbraw/zinc/03/27/88/714032788.db2.gz AXPLESZKNBEWQS-NSHDSACASA-N 1 1 365.231 3.475 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000524888584 714308078 /nfs/dbraw/zinc/30/80/78/714308078.db2.gz DWEVJUKSQPFPFZ-TZMCWYRMSA-N 1 1 351.472 3.262 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000524890251 714308286 /nfs/dbraw/zinc/30/82/86/714308286.db2.gz XQIUQOWNJZOCRO-FMKPAKJESA-N 1 1 365.499 3.407 20 5 FGBDMO COc1cc(C[N@H+](C[C@@H](C)OC)C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000525410069 714351137 /nfs/dbraw/zinc/35/11/37/714351137.db2.gz APAJLZCZRSAFRE-LLVKDONJSA-N 1 1 362.373 3.450 20 5 FGBDMO C[N@@H+](Cc1c(Br)cccc1[N+](=O)[O-])C[C@H]1CCCC[C@H]1O ZINC000779154497 724396297 /nfs/dbraw/zinc/39/62/97/724396297.db2.gz UBVMKSHEFIHWGB-IAQYHMDHSA-N 1 1 357.248 3.340 20 5 FGBDMO C[N@H+](Cc1c(Br)cccc1[N+](=O)[O-])C[C@H]1CCCC[C@H]1O ZINC000779154497 724396301 /nfs/dbraw/zinc/39/63/01/724396301.db2.gz 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C[C@@H]1C[N@@H+](CCCNc2nc3ccc([N+](=O)[O-])cc3s2)C[C@H](C)O1 ZINC000729630410 722461121 /nfs/dbraw/zinc/46/11/21/722461121.db2.gz KBXCVTBRUWZOGF-TXEJJXNPSA-N 1 1 350.444 3.116 20 5 FGBDMO C[C@@H]1C[N@H+](CCCNc2nc3ccc([N+](=O)[O-])cc3s2)C[C@H](C)O1 ZINC000729630410 722461122 /nfs/dbraw/zinc/46/11/22/722461122.db2.gz KBXCVTBRUWZOGF-TXEJJXNPSA-N 1 1 350.444 3.116 20 5 FGBDMO CCOc1cc(COC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000755548524 722954392 /nfs/dbraw/zinc/95/43/92/722954392.db2.gz LAWXEBINZXVYNM-MJBXVCDLSA-N 1 1 350.415 3.298 20 5 FGBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000756967907 722972649 /nfs/dbraw/zinc/97/26/49/722972649.db2.gz WWHWDRRVPBBQLP-CYBMUJFWSA-N 1 1 368.865 3.122 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C ZINC000757262470 722975690 /nfs/dbraw/zinc/97/56/90/722975690.db2.gz MPSYEJBWLJJRCB-OCCSQVGLSA-N 1 1 368.865 3.262 20 5 FGBDMO 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Cc1c(NC(=O)CC[N@H+]2CC[C@@H](c3nccs3)C2)cccc1[N+](=O)[O-] ZINC000880319677 737154619 /nfs/dbraw/zinc/15/46/19/737154619.db2.gz ZMZSIYJKOWOOJH-CYBMUJFWSA-N 1 1 360.439 3.178 20 5 FGBDMO C[C@@H]1COCC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000882539565 737465378 /nfs/dbraw/zinc/46/53/78/737465378.db2.gz AUONVLBOUJAXAG-GFCCVEGCSA-N 1 1 355.385 3.222 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]CC1(C)CC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000883257202 737542713 /nfs/dbraw/zinc/54/27/13/737542713.db2.gz UXPQQGSVIAKNAQ-CQSZACIVSA-N 1 1 350.369 3.443 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886827597 739307422 /nfs/dbraw/zinc/30/74/22/739307422.db2.gz NTGLZMTUBLCDGH-WQGACYEGSA-N 1 1 367.833 3.076 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886827597 739307428 /nfs/dbraw/zinc/30/74/28/739307428.db2.gz NTGLZMTUBLCDGH-WQGACYEGSA-N 1 1 367.833 3.076 20 5 FGBDMO COC[C@@H]([NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000894090311 742237682 /nfs/dbraw/zinc/23/76/82/742237682.db2.gz SFEKFGIWZMMXCG-CQSZACIVSA-N 1 1 366.801 3.440 20 5 FGBDMO Cc1nnc([C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)[nH]1 ZINC000895011469 742364608 /nfs/dbraw/zinc/36/46/08/742364608.db2.gz JENDDSJQSCVQQX-LLVKDONJSA-N 1 1 355.320 3.030 20 5 FGBDMO Cc1n[nH]c([C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)n1 ZINC000895011469 742364617 /nfs/dbraw/zinc/36/46/17/742364617.db2.gz JENDDSJQSCVQQX-LLVKDONJSA-N 1 1 355.320 3.030 20 5 FGBDMO Cc1n[nH]c([C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)n1 ZINC000895011469 742364626 /nfs/dbraw/zinc/36/46/26/742364626.db2.gz JENDDSJQSCVQQX-LLVKDONJSA-N 1 1 355.320 3.030 20 5 FGBDMO C[C@H]1C[C@H](NC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC[N@H+]1C ZINC000896667985 742580597 /nfs/dbraw/zinc/58/05/97/742580597.db2.gz PCTPKVRVDCQCMI-JGVFFNPUSA-N 1 1 364.204 3.253 20 5 FGBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000900882041 743190960 /nfs/dbraw/zinc/19/09/60/743190960.db2.gz PLCLZWLQXQANRS-LLVKDONJSA-N 1 1 357.813 3.191 20 5 FGBDMO COc1cc([C@H](C)[NH2+]Cc2c(C(F)(F)F)cnn2C)cc([N+](=O)[O-])c1 ZINC000903205143 743822301 /nfs/dbraw/zinc/82/23/01/743822301.db2.gz DHGRECHJMGAWRW-VIFPVBQESA-N 1 1 358.320 3.207 20 5 FGBDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000908537374 744296547 /nfs/dbraw/zinc/29/65/47/744296547.db2.gz WTOMHWFCLUXFEA-GOSISDBHSA-N 1 1 365.861 3.125 20 5 FGBDMO O=[N+]([O-])c1ccc(Br)c(C[NH+]2CCC(c3c[nH]cn3)CC2)c1 ZINC000930021980 760513126 /nfs/dbraw/zinc/51/31/26/760513126.db2.gz RDRZCRTYYLVPQV-UHFFFAOYSA-N 1 1 365.231 3.460 20 5 FGBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000934047972 761530456 /nfs/dbraw/zinc/53/04/56/761530456.db2.gz KMPWTAXQXUSMFT-UHFFFAOYSA-N 1 1 360.439 3.252 20 5 FGBDMO C[C@@H]([NH2+][C@H](C)c1cncs1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000934197517 761557317 /nfs/dbraw/zinc/55/73/17/761557317.db2.gz DEFHCHMVMSFSTE-RKDXNWHRSA-N 1 1 354.819 3.383 20 5 FGBDMO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)nc1 ZINC000302141317 257385495 /nfs/dbraw/zinc/38/54/95/257385495.db2.gz FEIYZYBNLBEUKF-ZDUSSCGKSA-N 1 1 367.331 3.090 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CC(C)(C)[C@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000573588966 505573106 /nfs/dbraw/zinc/57/31/06/505573106.db2.gz SOAYOGUASWCRJP-LSDHHAIUSA-N 1 1 362.426 3.157 20 5 FGBDMO CCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C(C)C ZINC000576835750 505606371 /nfs/dbraw/zinc/60/63/71/505606371.db2.gz LWAKHQIPERUIOT-UHFFFAOYSA-N 1 1 358.236 3.416 20 5 FGBDMO C[C@H](C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000571143173 505663175 /nfs/dbraw/zinc/66/31/75/505663175.db2.gz MAPGPDHHNYMMDQ-HNAYVOBHSA-N 1 1 353.422 3.214 20 5 FGBDMO C[C@H](C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000571143173 505663178 /nfs/dbraw/zinc/66/31/78/505663178.db2.gz MAPGPDHHNYMMDQ-HNAYVOBHSA-N 1 1 353.422 3.214 20 5 FGBDMO O=C1OCCN1c1cccc2c1CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000075916987 493796019 /nfs/dbraw/zinc/79/60/19/493796019.db2.gz INKUNTSGKQCCER-UHFFFAOYSA-N 1 1 367.405 3.152 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000081122135 493836474 /nfs/dbraw/zinc/83/64/74/493836474.db2.gz OXHJEMYBNOJXHZ-SFHVURJKSA-N 1 1 353.422 3.250 20 5 FGBDMO COc1cccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000003539863 493852721 /nfs/dbraw/zinc/85/27/21/493852721.db2.gz WYNPKWMNXGQPQA-ZDUSSCGKSA-N 1 1 373.409 3.071 20 5 FGBDMO COc1cccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000003539863 493852725 /nfs/dbraw/zinc/85/27/25/493852725.db2.gz WYNPKWMNXGQPQA-ZDUSSCGKSA-N 1 1 373.409 3.071 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+](C)C2CCCCC2)c1 ZINC000068903496 493892834 /nfs/dbraw/zinc/89/28/34/493892834.db2.gz AUCBIGZUJZNERZ-UHFFFAOYSA-N 1 1 351.472 3.311 20 5 FGBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050580888 493922036 /nfs/dbraw/zinc/92/20/36/493922036.db2.gz YAFIUGCNAPMOCL-GOEBONIOSA-N 1 1 372.450 3.075 20 5 FGBDMO Cc1cc2ncn(C[C@H](O)C[N@H+](C)Cc3ccccc3[N+](=O)[O-])c2cc1C ZINC000051322993 493961814 /nfs/dbraw/zinc/96/18/14/493961814.db2.gz JUJYZNKZXRBFHR-QGZVFWFLSA-N 1 1 368.437 3.054 20 5 FGBDMO C[C@@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000052160068 494006803 /nfs/dbraw/zinc/00/68/03/494006803.db2.gz JPRJQOQREZJKLK-KBPBESRZSA-N 1 1 360.458 3.019 20 5 FGBDMO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000052315304 494018522 /nfs/dbraw/zinc/01/85/22/494018522.db2.gz DUWALVRPFWDJMC-MRXNPFEDSA-N 1 1 369.421 3.324 20 5 FGBDMO CCN1CC[NH+](Cc2ccc(NC(=O)c3csc([N+](=O)[O-])c3)cc2)CC1 ZINC000052877223 494072523 /nfs/dbraw/zinc/07/25/23/494072523.db2.gz GFTIJYUDIOKWPW-UHFFFAOYSA-N 1 1 374.466 3.046 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)CCc1ccccc1 ZINC000053047708 494087251 /nfs/dbraw/zinc/08/72/51/494087251.db2.gz MYQUXMUXXATGHX-AWEZNQCLSA-N 1 1 357.410 3.105 20 5 FGBDMO CSc1ccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000574127078 505699045 /nfs/dbraw/zinc/69/90/45/505699045.db2.gz KDXUJZOESPTNMR-LLVKDONJSA-N 1 1 350.469 3.460 20 5 FGBDMO COc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000065140788 494175690 /nfs/dbraw/zinc/17/56/90/494175690.db2.gz QCPIUTKFJSFNRS-WMLDXEAASA-N 1 1 369.421 3.169 20 5 FGBDMO NC(=O)c1ccc(C[N@H+](Cc2ccccc2)CC2CCC2)c([N+](=O)[O-])c1 ZINC000065161333 494176788 /nfs/dbraw/zinc/17/67/88/494176788.db2.gz BYKLZTZBVASGGM-UHFFFAOYSA-N 1 1 353.422 3.496 20 5 FGBDMO COc1ccc(NC(=O)CC[N@@H+](C)Cc2sccc2C)c([N+](=O)[O-])c1 ZINC000041894059 494185777 /nfs/dbraw/zinc/18/57/77/494185777.db2.gz UKQGAUMBHXRZES-UHFFFAOYSA-N 1 1 363.439 3.434 20 5 FGBDMO Cc1cccc(NC(=O)C2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)n1 ZINC000054177545 494204319 /nfs/dbraw/zinc/20/43/19/494204319.db2.gz JTYDOOSRVBCBIH-UHFFFAOYSA-N 1 1 360.439 3.210 20 5 FGBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000054286991 494217376 /nfs/dbraw/zinc/21/73/76/494217376.db2.gz RTNDDAWSJCVSMG-LBPRGKRZSA-N 1 1 353.850 3.489 20 5 FGBDMO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000054374052 494227093 /nfs/dbraw/zinc/22/70/93/494227093.db2.gz QDUWUMLUDRXBLR-MRXNPFEDSA-N 1 1 362.817 3.143 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cn1 ZINC000065727858 494230266 /nfs/dbraw/zinc/23/02/66/494230266.db2.gz WZHPYRGXGZJYRN-UHFFFAOYSA-N 1 1 371.784 3.067 20 5 FGBDMO CCOc1ccc(C(=O)N(C)CC[N@@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000065910836 494254772 /nfs/dbraw/zinc/25/47/72/494254772.db2.gz QRRJMXYEDCVQOA-UHFFFAOYSA-N 1 1 363.458 3.330 20 5 FGBDMO CNc1ccc(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000072809130 494254997 /nfs/dbraw/zinc/25/49/97/494254997.db2.gz VNHFMXOJJQYVTB-HOTGVXAUSA-N 1 1 374.485 3.363 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000073208951 494337538 /nfs/dbraw/zinc/33/75/38/494337538.db2.gz QSXMEEMTJVXXRC-AEFFLSMTSA-N 1 1 374.485 3.391 20 5 FGBDMO Cc1cnc(NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c([N+](=O)[O-])c1 ZINC000078654232 494337885 /nfs/dbraw/zinc/33/78/85/494337885.db2.gz PXIAKIHJLTUCNG-HNNXBMFYSA-N 1 1 356.426 3.131 20 5 FGBDMO Cc1cnc(NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c([N+](=O)[O-])c1 ZINC000078654232 494337891 /nfs/dbraw/zinc/33/78/91/494337891.db2.gz PXIAKIHJLTUCNG-HNNXBMFYSA-N 1 1 356.426 3.131 20 5 FGBDMO C[C@@H](C[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000066854023 494426987 /nfs/dbraw/zinc/42/69/87/494426987.db2.gz FCKZGDLVJHSMPN-HNNXBMFYSA-N 1 1 353.422 3.219 20 5 FGBDMO CCCC[N@@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000577416034 505722889 /nfs/dbraw/zinc/72/28/89/505722889.db2.gz ZRGMTQVYKALUCJ-HNNXBMFYSA-N 1 1 362.474 3.363 20 5 FGBDMO CC[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000090586379 494484598 /nfs/dbraw/zinc/48/45/98/494484598.db2.gz NGFPPMTTYUGHON-QAPCUYQASA-N 1 1 360.458 3.362 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000067162795 494487268 /nfs/dbraw/zinc/48/72/68/494487268.db2.gz RVINZRVDDIQGKF-QGZVFWFLSA-N 1 1 353.422 3.298 20 5 FGBDMO Cc1cccc(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000022610739 494528724 /nfs/dbraw/zinc/52/87/24/494528724.db2.gz YIJAXRUHOCIQRE-UHFFFAOYSA-N 1 1 353.422 3.251 20 5 FGBDMO CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000074447759 494539279 /nfs/dbraw/zinc/53/92/79/494539279.db2.gz MRGVUCACTSGQLR-LJQANCHMSA-N 1 1 353.422 3.331 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000023236270 494557570 /nfs/dbraw/zinc/55/75/70/494557570.db2.gz DBJVTYRHGLMAPN-WFASDCNBSA-N 1 1 363.439 3.088 20 5 FGBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000080117534 494602276 /nfs/dbraw/zinc/60/22/76/494602276.db2.gz SMQBFNUJGMZASL-OAHLLOKOSA-N 1 1 362.474 3.250 20 5 FGBDMO CCc1nn(C)c(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000091734691 494660635 /nfs/dbraw/zinc/66/06/35/494660635.db2.gz GINUNMJRVGRQTO-GDBMZVCRSA-N 1 1 357.458 3.356 20 5 FGBDMO Cc1cc([N+](=O)[O-])cnc1NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000092622688 494689185 /nfs/dbraw/zinc/68/91/85/494689185.db2.gz RAVJJXNQNMBAPL-OAHLLOKOSA-N 1 1 356.426 3.131 20 5 FGBDMO Cc1cc([N+](=O)[O-])cnc1NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000092622688 494689193 /nfs/dbraw/zinc/68/91/93/494689193.db2.gz RAVJJXNQNMBAPL-OAHLLOKOSA-N 1 1 356.426 3.131 20 5 FGBDMO COC(=O)[C@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000092643662 494690763 /nfs/dbraw/zinc/69/07/63/494690763.db2.gz UOSRUQNUIPBJQM-ZDUSSCGKSA-N 1 1 361.423 3.103 20 5 FGBDMO COC(=O)[C@H]1CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000092643662 494690772 /nfs/dbraw/zinc/69/07/72/494690772.db2.gz UOSRUQNUIPBJQM-ZDUSSCGKSA-N 1 1 361.423 3.103 20 5 FGBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@@H]1c1cccs1 ZINC000131689430 494701588 /nfs/dbraw/zinc/70/15/88/494701588.db2.gz BLYIDARKSCDXMZ-SUMWQHHRSA-N 1 1 374.466 3.051 20 5 FGBDMO Cc1cc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)no1 ZINC000067962829 494710481 /nfs/dbraw/zinc/71/04/81/494710481.db2.gz DSXPZQKSESNVIK-KRWDZBQOSA-N 1 1 358.398 3.365 20 5 FGBDMO Cc1cc([C@@H]2CCC[N@H+]2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)no1 ZINC000067962829 494710491 /nfs/dbraw/zinc/71/04/91/494710491.db2.gz DSXPZQKSESNVIK-KRWDZBQOSA-N 1 1 358.398 3.365 20 5 FGBDMO O=C(C[N@@H+]1CCC[C@H]1c1ccc(F)cc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000025445642 494743453 /nfs/dbraw/zinc/74/34/53/494743453.db2.gz GBBUVAQBCJUKMQ-SFHVURJKSA-N 1 1 369.396 3.460 20 5 FGBDMO O=C(C[N@H+]1CCC[C@H]1c1ccc(F)cc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000025445642 494743458 /nfs/dbraw/zinc/74/34/58/494743458.db2.gz GBBUVAQBCJUKMQ-SFHVURJKSA-N 1 1 369.396 3.460 20 5 FGBDMO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H](O)COCc1ccccc1 ZINC000116280374 494750914 /nfs/dbraw/zinc/75/09/14/494750914.db2.gz PEHNBPSVPBVCFN-KRWDZBQOSA-N 1 1 364.829 3.258 20 5 FGBDMO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H](O)COCc1ccccc1 ZINC000116280374 494750920 /nfs/dbraw/zinc/75/09/20/494750920.db2.gz PEHNBPSVPBVCFN-KRWDZBQOSA-N 1 1 364.829 3.258 20 5 FGBDMO CC(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000025536008 494755627 /nfs/dbraw/zinc/75/56/27/494755627.db2.gz MNTVBNJFGRSTFE-FQEVSTJZSA-N 1 1 367.449 3.408 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cn1 ZINC000080686024 494767969 /nfs/dbraw/zinc/76/79/69/494767969.db2.gz GGXQSDAYBWULGY-HXUWFJFHSA-N 1 1 352.438 3.482 20 5 FGBDMO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)c1 ZINC000092047846 494770066 /nfs/dbraw/zinc/77/00/66/494770066.db2.gz WIQONUKPFQCOQY-UHFFFAOYSA-N 1 1 363.421 3.307 20 5 FGBDMO COc1ccc(NC(=O)CC[N@@H+](C)Cc2ccccc2F)c([N+](=O)[O-])c1 ZINC000026224700 494810514 /nfs/dbraw/zinc/81/05/14/494810514.db2.gz TYBQMJMRUAYLJM-UHFFFAOYSA-N 1 1 361.373 3.203 20 5 FGBDMO COc1cccc(C[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000026221988 494810701 /nfs/dbraw/zinc/81/07/01/494810701.db2.gz NGRCLJHFBCSZLM-UHFFFAOYSA-N 1 1 357.410 3.372 20 5 FGBDMO CNc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000027497466 494869923 /nfs/dbraw/zinc/86/99/23/494869923.db2.gz DOSLCETWWMHMIO-QGZVFWFLSA-N 1 1 372.425 3.187 20 5 FGBDMO C[C@H](c1cccnc1)[NH+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000093413179 494888115 /nfs/dbraw/zinc/88/81/15/494888115.db2.gz DFJNNKROMJLKSQ-ZGRWHYIRSA-N 1 1 352.438 3.382 20 5 FGBDMO COc1cccc(Cl)c1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534308 494898555 /nfs/dbraw/zinc/89/85/55/494898555.db2.gz SUDHHBFVIGESMI-GFCCVEGCSA-N 1 1 362.817 3.338 20 5 FGBDMO COc1cccc(Cl)c1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534308 494898557 /nfs/dbraw/zinc/89/85/57/494898557.db2.gz SUDHHBFVIGESMI-GFCCVEGCSA-N 1 1 362.817 3.338 20 5 FGBDMO CCCN1CCC([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000109787371 494917736 /nfs/dbraw/zinc/91/77/36/494917736.db2.gz DRIGONHKMJHKFP-UHFFFAOYSA-N 1 1 362.474 3.038 20 5 FGBDMO CCCN1CCC([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000109787371 494917741 /nfs/dbraw/zinc/91/77/41/494917741.db2.gz DRIGONHKMJHKFP-UHFFFAOYSA-N 1 1 362.474 3.038 20 5 FGBDMO CC[N@@H+](C)C[C@H]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000093770164 494919908 /nfs/dbraw/zinc/91/99/08/494919908.db2.gz ZNUHCZPHOZCOFG-CYBMUJFWSA-N 1 1 356.264 3.131 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+]3CC[C@@]4(CCOC4)C3)o2)c([N+](=O)[O-])c1 ZINC000093820390 494926347 /nfs/dbraw/zinc/92/63/47/494926347.db2.gz HFYCJCOTFYPJSW-LJQANCHMSA-N 1 1 358.394 3.476 20 5 FGBDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)c1 ZINC000110019760 494940378 /nfs/dbraw/zinc/94/03/78/494940378.db2.gz LCQFTLVEHWXUMC-UHFFFAOYSA-N 1 1 374.416 3.086 20 5 FGBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000133119608 494973066 /nfs/dbraw/zinc/97/30/66/494973066.db2.gz JYDMFGOZUYYGQQ-UHFFFAOYSA-N 1 1 371.437 3.000 20 5 FGBDMO COc1cc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000133423904 495011751 /nfs/dbraw/zinc/01/17/51/495011751.db2.gz YJTGEHZKPHDEIX-INIZCTEOSA-N 1 1 373.409 3.153 20 5 FGBDMO CCCC[N@@H+](C)CC1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000122797171 495032866 /nfs/dbraw/zinc/03/28/66/495032866.db2.gz PBKNCPAREHBHKD-UHFFFAOYSA-N 1 1 361.486 3.416 20 5 FGBDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000111312738 495063617 /nfs/dbraw/zinc/06/36/17/495063617.db2.gz YBCSYZRXDKOXFF-INIZCTEOSA-N 1 1 374.466 3.332 20 5 FGBDMO Cc1nc2c(s1)[C@@H]([N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000111312738 495063620 /nfs/dbraw/zinc/06/36/20/495063620.db2.gz YBCSYZRXDKOXFF-INIZCTEOSA-N 1 1 374.466 3.332 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CCc3ccc(F)cc3C2)cccc1[N+](=O)[O-] ZINC000133880226 495074335 /nfs/dbraw/zinc/07/43/35/495074335.db2.gz DIYGEMZCUWYNOR-UHFFFAOYSA-N 1 1 357.385 3.429 20 5 FGBDMO COc1cc(C[N@@H+](C)[C@@H](CO)C(C)(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000134438669 495149142 /nfs/dbraw/zinc/14/91/42/495149142.db2.gz FMNPSSNYQRUTAH-AWEZNQCLSA-N 1 1 362.373 3.044 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000123686461 495170952 /nfs/dbraw/zinc/17/09/52/495170952.db2.gz XIIRUBFWSXVTIA-GASCZTMLSA-N 1 1 370.453 3.241 20 5 FGBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000574408269 505766225 /nfs/dbraw/zinc/76/62/25/505766225.db2.gz BYYUELIZWJURIY-NSHDSACASA-N 1 1 359.348 3.075 20 5 FGBDMO Cc1cccc(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000103133120 495196846 /nfs/dbraw/zinc/19/68/46/495196846.db2.gz CMHXYXWFAJPJDS-GOSISDBHSA-N 1 1 367.449 3.198 20 5 FGBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000103615641 495249968 /nfs/dbraw/zinc/24/99/68/495249968.db2.gz NGXQVDJKWHGYML-OAHLLOKOSA-N 1 1 350.463 3.245 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000124248531 495257328 /nfs/dbraw/zinc/25/73/28/495257328.db2.gz QEVXWQDAUSSPNS-ZDUSSCGKSA-N 1 1 353.850 3.346 20 5 FGBDMO Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135234205 495266822 /nfs/dbraw/zinc/26/68/22/495266822.db2.gz AOBZFCUHCSJCBH-SFHVURJKSA-N 1 1 356.422 3.308 20 5 FGBDMO Cc1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135234205 495266826 /nfs/dbraw/zinc/26/68/26/495266826.db2.gz AOBZFCUHCSJCBH-SFHVURJKSA-N 1 1 356.422 3.308 20 5 FGBDMO CSc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000124444990 495288762 /nfs/dbraw/zinc/28/87/62/495288762.db2.gz SVZUUYZKJDQVSC-AWEZNQCLSA-N 1 1 365.499 3.415 20 5 FGBDMO COc1ccccc1CC[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000104711101 495299428 /nfs/dbraw/zinc/29/94/28/495299428.db2.gz YCAQAAQNCFUJMW-UHFFFAOYSA-N 1 1 357.410 3.107 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CC[C@](O)(C(F)(F)F)C3)o2)c1 ZINC000130167136 495351359 /nfs/dbraw/zinc/35/13/59/495351359.db2.gz FHMJIOWVEWBTLX-OAHLLOKOSA-N 1 1 356.300 3.354 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@](O)(C(F)(F)F)C3)o2)c1 ZINC000130167136 495351362 /nfs/dbraw/zinc/35/13/62/495351362.db2.gz FHMJIOWVEWBTLX-OAHLLOKOSA-N 1 1 356.300 3.354 20 5 FGBDMO COc1cc(C)c(C[N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000136822128 495403241 /nfs/dbraw/zinc/40/32/41/495403241.db2.gz NWKLYTSVWRENAC-KRWDZBQOSA-N 1 1 360.410 3.086 20 5 FGBDMO Cc1sc(C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000137429744 495440525 /nfs/dbraw/zinc/44/05/25/495440525.db2.gz VEEODOLGYQYWQT-DOMZBBRYSA-N 1 1 359.451 3.358 20 5 FGBDMO O=[N+]([O-])c1c(N2CCC[N@@H+](Cc3ccccc3)CC2)nc2sccn21 ZINC000139593214 495480313 /nfs/dbraw/zinc/48/03/13/495480313.db2.gz SOLGJIKAPICGDG-UHFFFAOYSA-N 1 1 357.439 3.016 20 5 FGBDMO CSc1ccc(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000170665712 495553424 /nfs/dbraw/zinc/55/34/24/495553424.db2.gz IYALCSBQAVCHJW-ZDUSSCGKSA-N 1 1 351.472 3.311 20 5 FGBDMO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154395372 495603635 /nfs/dbraw/zinc/60/36/35/495603635.db2.gz ZIMBZJCUKIZANL-ALRVBVLOSA-N 1 1 362.451 3.059 20 5 FGBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000173656250 495636704 /nfs/dbraw/zinc/63/67/04/495636704.db2.gz SXEJOGAEDAPLJD-SNVBAGLBSA-N 1 1 370.331 3.185 20 5 FGBDMO Cc1ccc2oc(C[NH2+]CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2c1 ZINC000580603943 505794373 /nfs/dbraw/zinc/79/43/73/505794373.db2.gz YPFIUJCHJSQCCU-UHFFFAOYSA-N 1 1 374.418 3.213 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185712597 495693139 /nfs/dbraw/zinc/69/31/39/495693139.db2.gz GIBKEUCVJZWGMO-HZPDHXFCSA-N 1 1 374.485 3.084 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2nc(CN3CCC[N@H+](C4CC4)CC3)cs2)c1 ZINC000179728090 495708038 /nfs/dbraw/zinc/70/80/38/495708038.db2.gz BGHLCULCMMKSGO-UHFFFAOYSA-N 1 1 358.467 3.388 20 5 FGBDMO C[C@@H]1C[C@@H](N(C)C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000182843353 495724153 /nfs/dbraw/zinc/72/41/53/495724153.db2.gz BUYNFCVLBOWCGA-YPMHNXCESA-N 1 1 371.890 3.281 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000179915161 495781890 /nfs/dbraw/zinc/78/18/90/495781890.db2.gz PHUUVWGKLKTWOW-UHFFFAOYSA-N 1 1 370.453 3.348 20 5 FGBDMO CCCc1n[nH]c(C(=O)NCc2cccc(C[N@@H+](C)C(C)C)c2)c1[N+](=O)[O-] ZINC000159692848 495788222 /nfs/dbraw/zinc/78/82/22/495788222.db2.gz DLYMCIIEQXJPFP-UHFFFAOYSA-N 1 1 373.457 3.041 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000174230016 495872890 /nfs/dbraw/zinc/87/28/90/495872890.db2.gz WNMFICDIPAYNPG-AEFFLSMTSA-N 1 1 374.485 3.179 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCCc2ccccc2C1 ZINC000171595607 495942268 /nfs/dbraw/zinc/94/22/68/495942268.db2.gz QJWPULHOJPIADT-CQSZACIVSA-N 1 1 369.421 3.379 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCCc2ccccc2C1 ZINC000171595607 495942271 /nfs/dbraw/zinc/94/22/71/495942271.db2.gz QJWPULHOJPIADT-CQSZACIVSA-N 1 1 369.421 3.379 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCCc2ccccc2C1 ZINC000171595603 495942732 /nfs/dbraw/zinc/94/27/32/495942732.db2.gz QJWPULHOJPIADT-AWEZNQCLSA-N 1 1 369.421 3.379 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCCc2ccccc2C1 ZINC000171595603 495942739 /nfs/dbraw/zinc/94/27/39/495942739.db2.gz QJWPULHOJPIADT-AWEZNQCLSA-N 1 1 369.421 3.379 20 5 FGBDMO C[C@@H]1C[C@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C[N@H+]1C1CC1 ZINC000177144714 495947423 /nfs/dbraw/zinc/94/74/23/495947423.db2.gz APCVTFPXYGKMOF-YPMHNXCESA-N 1 1 372.450 3.073 20 5 FGBDMO COc1ccc(C[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000177149904 495948972 /nfs/dbraw/zinc/94/89/72/495948972.db2.gz IQIJXCTYYCHVHQ-GOSISDBHSA-N 1 1 356.422 3.437 20 5 FGBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[N@H+]1CCC[C@H](C)C1 ZINC000180454430 496002217 /nfs/dbraw/zinc/00/22/17/496002217.db2.gz MDAILVNTFOSUCE-RYUDHWBXSA-N 1 1 371.384 3.046 20 5 FGBDMO CCC[N@@H+](CC)CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000174649245 496046052 /nfs/dbraw/zinc/04/60/52/496046052.db2.gz HSLPDJVQDIVBNX-UHFFFAOYSA-N 1 1 365.477 3.003 20 5 FGBDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000177536940 496102257 /nfs/dbraw/zinc/10/22/57/496102257.db2.gz UCAXUPXPCCBMHF-BEFAXECRSA-N 1 1 353.422 3.436 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000155955094 496117054 /nfs/dbraw/zinc/11/70/54/496117054.db2.gz SIXBMGQEWXRBBX-LJQANCHMSA-N 1 1 356.422 3.377 20 5 FGBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000174915980 496163090 /nfs/dbraw/zinc/16/30/90/496163090.db2.gz RMGRDYISHZDPFQ-KRWDZBQOSA-N 1 1 353.422 3.189 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000574665816 505827280 /nfs/dbraw/zinc/82/72/80/505827280.db2.gz MZLLVNNVVRRCHN-SFHVURJKSA-N 1 1 354.410 3.424 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000574665816 505827283 /nfs/dbraw/zinc/82/72/83/505827283.db2.gz MZLLVNNVVRRCHN-SFHVURJKSA-N 1 1 354.410 3.424 20 5 FGBDMO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180894323 496189367 /nfs/dbraw/zinc/18/93/67/496189367.db2.gz SHGIFTCPVAUREW-KDOFPFPSSA-N 1 1 362.451 3.097 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000161590931 496203263 /nfs/dbraw/zinc/20/32/63/496203263.db2.gz QSNQLXVMFCRAEN-CYBMUJFWSA-N 1 1 351.472 3.024 20 5 FGBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)c1 ZINC000152675735 496222982 /nfs/dbraw/zinc/22/29/82/496222982.db2.gz DDOHCADNSUAANE-ZDUSSCGKSA-N 1 1 361.471 3.006 20 5 FGBDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000175043350 496223052 /nfs/dbraw/zinc/22/30/52/496223052.db2.gz QOPDMYQAQKPAHM-GXTWGEPZSA-N 1 1 351.834 3.336 20 5 FGBDMO O=[N+]([O-])c1cccc(C[N@H+](C[C@@H](O)COc2ccccc2F)C2CC2)c1 ZINC000178000492 496281478 /nfs/dbraw/zinc/28/14/78/496281478.db2.gz BTICZCNIJCKDLL-QGZVFWFLSA-N 1 1 360.385 3.138 20 5 FGBDMO CCOC(=O)CC[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000162216953 496316346 /nfs/dbraw/zinc/31/63/46/496316346.db2.gz RLYZDMZNNCELBU-OAHLLOKOSA-N 1 1 350.415 3.029 20 5 FGBDMO COc1cc(C[N@H+](C)CCc2ccccn2)c([N+](=O)[O-])cc1OC(F)F ZINC000152994810 496320154 /nfs/dbraw/zinc/32/01/54/496320154.db2.gz KJMSNGRFCNIQQJ-UHFFFAOYSA-N 1 1 367.352 3.274 20 5 FGBDMO COc1cc(C[N@@H+](C)CCc2ccccn2)c([N+](=O)[O-])cc1OC(F)F ZINC000152994810 496320157 /nfs/dbraw/zinc/32/01/57/496320157.db2.gz KJMSNGRFCNIQQJ-UHFFFAOYSA-N 1 1 367.352 3.274 20 5 FGBDMO C[C@H](NC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000172554490 496339038 /nfs/dbraw/zinc/33/90/38/496339038.db2.gz URCWJPCSHNPQKN-HNNXBMFYSA-N 1 1 360.458 3.316 20 5 FGBDMO CC(C)c1[nH+]ccn1CCC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000156872089 496353766 /nfs/dbraw/zinc/35/37/66/496353766.db2.gz USLFMUJBFGZNEN-UHFFFAOYSA-N 1 1 356.426 3.496 20 5 FGBDMO Cc1cc(C)cc(OC[C@H](O)C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153140279 496364715 /nfs/dbraw/zinc/36/47/15/496364715.db2.gz PKSSCXISKRTFLN-QGZVFWFLSA-N 1 1 356.422 3.010 20 5 FGBDMO Cc1cc(C)cc(OC[C@H](O)C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153140279 496364717 /nfs/dbraw/zinc/36/47/17/496364717.db2.gz PKSSCXISKRTFLN-QGZVFWFLSA-N 1 1 356.422 3.010 20 5 FGBDMO COc1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1O ZINC000156922641 496365756 /nfs/dbraw/zinc/36/57/56/496365756.db2.gz ZKUIMGYGRUSOIF-ZDUSSCGKSA-N 1 1 373.409 3.076 20 5 FGBDMO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1O ZINC000156922641 496365762 /nfs/dbraw/zinc/36/57/62/496365762.db2.gz ZKUIMGYGRUSOIF-ZDUSSCGKSA-N 1 1 373.409 3.076 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@H](Nc3nc(C)ccc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000178256656 496389002 /nfs/dbraw/zinc/38/90/02/496389002.db2.gz SOXKNRLBGJXUHP-OAHLLOKOSA-N 1 1 372.425 3.002 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CC1(O)CCCCCC1 ZINC000187342862 496401017 /nfs/dbraw/zinc/40/10/17/496401017.db2.gz URLPMFYYDWGZCS-UHFFFAOYSA-N 1 1 363.458 3.249 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@@H](c4cccnc4)C3)n2)cc1 ZINC000574753259 505848262 /nfs/dbraw/zinc/84/82/62/505848262.db2.gz NJNRRNMJZPUZMC-OAHLLOKOSA-N 1 1 351.366 3.029 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC(C4CCOCC4)CC3)n2)cc1 ZINC000153525387 496485595 /nfs/dbraw/zinc/48/55/95/496485595.db2.gz BTMUTBBRFMGBJT-UHFFFAOYSA-N 1 1 372.425 3.283 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000163233217 496485532 /nfs/dbraw/zinc/48/55/32/496485532.db2.gz BCXHVKNVBWMHOP-KBXCAEBGSA-N 1 1 358.442 3.384 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000163516464 496527333 /nfs/dbraw/zinc/52/73/33/496527333.db2.gz PPXNZKSRMHTHGB-AWEZNQCLSA-N 1 1 365.499 3.415 20 5 FGBDMO Cc1csc2nc(C[NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)cc(=O)n12 ZINC000181842956 496568573 /nfs/dbraw/zinc/56/85/73/496568573.db2.gz SZNLBWJVINGAEH-LBPRGKRZSA-N 1 1 358.423 3.132 20 5 FGBDMO COc1ccccc1[C@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000158044278 496615135 /nfs/dbraw/zinc/61/51/35/496615135.db2.gz VWNCSXZWLFDICY-AWEZNQCLSA-N 1 1 355.394 3.031 20 5 FGBDMO COc1ccccc1[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000158044278 496615139 /nfs/dbraw/zinc/61/51/39/496615139.db2.gz VWNCSXZWLFDICY-AWEZNQCLSA-N 1 1 355.394 3.031 20 5 FGBDMO O=[N+]([O-])c1cccc(Cl)c1OC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000153930269 496626681 /nfs/dbraw/zinc/62/66/81/496626681.db2.gz RJQMBQAJQDWJPK-HNNXBMFYSA-N 1 1 362.813 3.046 20 5 FGBDMO O=C1CCCCN1CC1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000153957332 496635086 /nfs/dbraw/zinc/63/50/86/496635086.db2.gz USNGXLULCSJUFL-UHFFFAOYSA-N 1 1 365.861 3.473 20 5 FGBDMO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182115118 496674962 /nfs/dbraw/zinc/67/49/62/496674962.db2.gz JNMANRRRHSPWKI-ZDUSSCGKSA-N 1 1 353.850 3.377 20 5 FGBDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182115118 496674967 /nfs/dbraw/zinc/67/49/67/496674967.db2.gz JNMANRRRHSPWKI-ZDUSSCGKSA-N 1 1 353.850 3.377 20 5 FGBDMO CSc1cccc(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000188094914 496681163 /nfs/dbraw/zinc/68/11/63/496681163.db2.gz SZKNCFZFMXXXJS-ZDUSSCGKSA-N 1 1 351.472 3.167 20 5 FGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H](O)COCc1ccccc1 ZINC000182167391 496694596 /nfs/dbraw/zinc/69/45/96/496694596.db2.gz WVBQSHUUKWDWBY-KRWDZBQOSA-N 1 1 364.829 3.258 20 5 FGBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H](O)COCc1ccccc1 ZINC000182167391 496694601 /nfs/dbraw/zinc/69/46/01/496694601.db2.gz WVBQSHUUKWDWBY-KRWDZBQOSA-N 1 1 364.829 3.258 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000182298095 496727640 /nfs/dbraw/zinc/72/76/40/496727640.db2.gz BBQAYKMVFLHKSZ-MRXNPFEDSA-N 1 1 362.813 3.046 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000182298095 496727642 /nfs/dbraw/zinc/72/76/42/496727642.db2.gz BBQAYKMVFLHKSZ-MRXNPFEDSA-N 1 1 362.813 3.046 20 5 FGBDMO CSc1ccc(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000194912450 496758215 /nfs/dbraw/zinc/75/82/15/496758215.db2.gz UBUDDILSPPITHW-ZDUSSCGKSA-N 1 1 351.472 3.167 20 5 FGBDMO Cc1ccc(Sc2ccc(C[NH2+]C3(C(N)=O)CC3)cc2[N+](=O)[O-])cc1 ZINC000191486395 496779377 /nfs/dbraw/zinc/77/93/77/496779377.db2.gz MULMIEVNBYEXRB-UHFFFAOYSA-N 1 1 357.435 3.162 20 5 FGBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000264085417 496808740 /nfs/dbraw/zinc/80/87/40/496808740.db2.gz PFQYAVBUPNKTFP-MSOLQXFVSA-N 1 1 360.458 3.142 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(SC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000247502194 496874178 /nfs/dbraw/zinc/87/41/78/496874178.db2.gz VASYOZRNINRCFG-JSGCOSHPSA-N 1 1 351.472 3.119 20 5 FGBDMO COC(=O)[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@@H]1C ZINC000191826240 496902973 /nfs/dbraw/zinc/90/29/73/496902973.db2.gz OBVYTTWYFHXOMB-BBRMVZONSA-N 1 1 350.415 3.013 20 5 FGBDMO COC(=O)[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@@H]1C ZINC000191826240 496902978 /nfs/dbraw/zinc/90/29/78/496902978.db2.gz OBVYTTWYFHXOMB-BBRMVZONSA-N 1 1 350.415 3.013 20 5 FGBDMO CCCc1n[nH]c(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000264560252 496929380 /nfs/dbraw/zinc/92/93/80/496929380.db2.gz ABYYMDACAPPXCG-UHFFFAOYSA-N 1 1 373.457 3.041 20 5 FGBDMO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000269676035 496987504 /nfs/dbraw/zinc/98/75/04/496987504.db2.gz LCSWQUYXRFMSDX-WBMJQRKESA-N 1 1 363.845 3.337 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000248390287 496991849 /nfs/dbraw/zinc/99/18/49/496991849.db2.gz HWOIESFVSHQBDX-SZVBFZGTSA-N 1 1 361.486 3.352 20 5 FGBDMO O=C1CC[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)CC[C@H]2N1C1CC1 ZINC000248439488 497011508 /nfs/dbraw/zinc/01/15/08/497011508.db2.gz UGZKGGJCGSZSCY-SUMWQHHRSA-N 1 1 363.845 3.224 20 5 FGBDMO O=C1CC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)CC[C@H]2N1C1CC1 ZINC000248439488 497011510 /nfs/dbraw/zinc/01/15/10/497011510.db2.gz UGZKGGJCGSZSCY-SUMWQHHRSA-N 1 1 363.845 3.224 20 5 FGBDMO CC[C@@H](C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000578179226 505879793 /nfs/dbraw/zinc/87/97/93/505879793.db2.gz MXDKGDOWOUIOAP-KRWDZBQOSA-N 1 1 371.437 3.130 20 5 FGBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000248589151 497049116 /nfs/dbraw/zinc/04/91/16/497049116.db2.gz QTCHECPPMQOMND-LXTVHRRPSA-N 1 1 365.449 3.320 20 5 FGBDMO COc1cc(C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)c([N+](=O)[O-])cc1F ZINC000274280629 497059138 /nfs/dbraw/zinc/05/91/38/497059138.db2.gz DABJSVKHSRSIBZ-NDHGSNPTSA-N 1 1 366.414 3.331 20 5 FGBDMO Cn1ccnc1[C@H](NC[C@H]1CCCC[N@H+]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000278313524 497071196 /nfs/dbraw/zinc/07/11/96/497071196.db2.gz FJARDTYWZWRWKJ-RTBURBONSA-N 1 1 369.469 3.024 20 5 FGBDMO NC(=O)c1coc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)c1 ZINC000189422802 497113405 /nfs/dbraw/zinc/11/34/05/497113405.db2.gz OPKZBGFHJUZKTE-UHFFFAOYSA-N 1 1 357.391 3.305 20 5 FGBDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 ZINC000278500551 497135010 /nfs/dbraw/zinc/13/50/10/497135010.db2.gz NTQWBFIDJLQOOE-FTJNGKRUSA-N 1 1 363.395 3.091 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000192622908 497166137 /nfs/dbraw/zinc/16/61/37/497166137.db2.gz MHAAOYYUQMPBHQ-HNNXBMFYSA-N 1 1 353.422 3.080 20 5 FGBDMO CCO[C@@H]1C[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H]1OC ZINC000274885070 497190189 /nfs/dbraw/zinc/19/01/89/497190189.db2.gz CDEPSCCJIWWXGS-ARFHVFGLSA-N 1 1 363.439 3.000 20 5 FGBDMO Cn1cc(CNCC[N@@H+](C)C2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237159582 497199052 /nfs/dbraw/zinc/19/90/52/497199052.db2.gz ZNPUNSWDVDTTKS-UHFFFAOYSA-N 1 1 371.485 3.349 20 5 FGBDMO CN(CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000237159582 497199057 /nfs/dbraw/zinc/19/90/57/497199057.db2.gz ZNPUNSWDVDTTKS-UHFFFAOYSA-N 1 1 371.485 3.349 20 5 FGBDMO CC(C)N1CC[NH+](C2CCN([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000270951566 497232247 /nfs/dbraw/zinc/23/22/47/497232247.db2.gz SWZUVDJUSIMMKG-QGZVFWFLSA-N 1 1 360.502 3.146 20 5 FGBDMO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)N1CCc2ccccc2C1 ZINC000266436353 497340899 /nfs/dbraw/zinc/34/08/99/497340899.db2.gz FKCFCUXWLVAEJF-LSDHHAIUSA-N 1 1 353.422 3.219 20 5 FGBDMO COc1cc(C[N@@H+](C)CC2(O)CCCCCC2)c([N+](=O)[O-])cc1OC ZINC000190141369 497372892 /nfs/dbraw/zinc/37/28/92/497372892.db2.gz WKFKBKFDPLSFNA-UHFFFAOYSA-N 1 1 352.431 3.129 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)C[C@@H]1CCCCO1 ZINC000266680270 497396826 /nfs/dbraw/zinc/39/68/26/497396826.db2.gz ADSOGSIUSTVJEO-AAEUAGOBSA-N 1 1 355.822 3.076 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000266680270 497396831 /nfs/dbraw/zinc/39/68/31/497396831.db2.gz ADSOGSIUSTVJEO-AAEUAGOBSA-N 1 1 355.822 3.076 20 5 FGBDMO CC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](C)c1cccc(O)c1 ZINC000245433789 497403832 /nfs/dbraw/zinc/40/38/32/497403832.db2.gz PJTTZDGNNIPNTF-KDOFPFPSSA-N 1 1 360.410 3.123 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+](CCO)C3CCOCC3)s2)cc1 ZINC000276027878 497483585 /nfs/dbraw/zinc/48/35/85/497483585.db2.gz RJCQLVSZVIZUFX-UHFFFAOYSA-N 1 1 362.451 3.297 20 5 FGBDMO C[N@H+]1CCC[C@H]2CN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@H]21 ZINC000245823490 497544737 /nfs/dbraw/zinc/54/47/37/497544737.db2.gz FGFLXUMJFZYBQV-MAUKXSAKSA-N 1 1 356.426 3.166 20 5 FGBDMO CC[N@H+](Cc1ccncc1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000267865612 497631661 /nfs/dbraw/zinc/63/16/61/497631661.db2.gz BRLYCHRWXAJKLI-LBPRGKRZSA-N 1 1 362.817 3.492 20 5 FGBDMO CC[N@@H+](Cc1ccncc1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000267865612 497631665 /nfs/dbraw/zinc/63/16/65/497631665.db2.gz BRLYCHRWXAJKLI-LBPRGKRZSA-N 1 1 362.817 3.492 20 5 FGBDMO Cc1nc(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)n[nH]1 ZINC000272455379 497633990 /nfs/dbraw/zinc/63/39/90/497633990.db2.gz UCYPGZKFGXPRLP-UHFFFAOYSA-N 1 1 361.789 3.267 20 5 FGBDMO Cc1nnc(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[nH]1 ZINC000272455379 497633992 /nfs/dbraw/zinc/63/39/92/497633992.db2.gz UCYPGZKFGXPRLP-UHFFFAOYSA-N 1 1 361.789 3.267 20 5 FGBDMO O=[N+]([O-])c1cc(F)ccc1OC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000575097192 505919808 /nfs/dbraw/zinc/91/98/08/505919808.db2.gz XYAOXNFTOVQTSE-QGZVFWFLSA-N 1 1 360.385 3.404 20 5 FGBDMO COc1ccccc1CC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272520551 497650974 /nfs/dbraw/zinc/65/09/74/497650974.db2.gz LERJNIQGCMTTLU-LJQANCHMSA-N 1 1 366.421 3.259 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](COc3ccccc3)C2)c2c(c1)COCO2 ZINC000272623147 497681512 /nfs/dbraw/zinc/68/15/12/497681512.db2.gz VDJRUCGOECFSFE-OAHLLOKOSA-N 1 1 370.405 3.362 20 5 FGBDMO C[N@H+]1CC[C@@H]2CCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)[C@@H]2C1 ZINC000272677367 497698577 /nfs/dbraw/zinc/69/85/77/497698577.db2.gz UVWYBUXINWQCEM-CXAGYDPISA-N 1 1 358.467 3.244 20 5 FGBDMO CO[C@]1(C)CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000280353324 497728466 /nfs/dbraw/zinc/72/84/66/497728466.db2.gz JEEGNHMDENGYSM-SJKOYZFVSA-N 1 1 369.849 3.466 20 5 FGBDMO CO[C@]1(C)CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000280353324 497728471 /nfs/dbraw/zinc/72/84/71/497728471.db2.gz JEEGNHMDENGYSM-SJKOYZFVSA-N 1 1 369.849 3.466 20 5 FGBDMO CCOc1cc(C[N@@H+](C)[C@H](CC(N)=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000280522503 497780628 /nfs/dbraw/zinc/78/06/28/497780628.db2.gz OIBRKICCIAYKJS-QGZVFWFLSA-N 1 1 357.410 3.042 20 5 FGBDMO CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)c2ccc([N+](=O)[O-])nc2)cc1 ZINC000288685568 497867377 /nfs/dbraw/zinc/86/73/77/497867377.db2.gz CYYFUJCAGZBZRS-UHFFFAOYSA-N 1 1 356.426 3.498 20 5 FGBDMO CC[C@@H](NC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC000364270051 497871940 /nfs/dbraw/zinc/87/19/40/497871940.db2.gz UXNXRWWJOQGBHT-NPVYPNSJSA-N 1 1 360.458 3.218 20 5 FGBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)c1 ZINC000364324950 497900613 /nfs/dbraw/zinc/90/06/13/497900613.db2.gz AADJALKTBQAOKP-VFQAQYNWSA-N 1 1 357.370 3.050 20 5 FGBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)c1 ZINC000364324950 497900620 /nfs/dbraw/zinc/90/06/20/497900620.db2.gz AADJALKTBQAOKP-VFQAQYNWSA-N 1 1 357.370 3.050 20 5 FGBDMO O=C(C[NH+]1CCC2(CCOCC2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000284897288 497934736 /nfs/dbraw/zinc/93/47/36/497934736.db2.gz WRTHEZWIVQWBIP-UHFFFAOYSA-N 1 1 367.833 3.079 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1nc2sccn2c1[N+](=O)[O-] ZINC000301308903 498050018 /nfs/dbraw/zinc/05/00/18/498050018.db2.gz DJJGZHIXHUSAQN-GXTWGEPZSA-N 1 1 372.454 3.022 20 5 FGBDMO Cc1cccc(C(=O)N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000364662130 498075068 /nfs/dbraw/zinc/07/50/68/498075068.db2.gz KQCDXYGBDYEVRA-LPHOPBHVSA-N 1 1 368.437 3.063 20 5 FGBDMO CC(C)NC(=O)c1ccc(N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301418448 498101037 /nfs/dbraw/zinc/10/10/37/498101037.db2.gz BXHRAKNQVALGRC-QGZVFWFLSA-N 1 1 374.485 3.409 20 5 FGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292991088 498225162 /nfs/dbraw/zinc/22/51/62/498225162.db2.gz NZWHVHPPDVRIQV-LIRRHRJNSA-N 1 1 371.441 3.124 20 5 FGBDMO CC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCCc2cccnc21 ZINC000364996537 498246644 /nfs/dbraw/zinc/24/66/44/498246644.db2.gz AUHTUCLKENTHTJ-FUHWJXTLSA-N 1 1 371.437 3.129 20 5 FGBDMO COC(=O)c1cc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc(C)c1[N+](=O)[O-] ZINC000301785955 498263358 /nfs/dbraw/zinc/26/33/58/498263358.db2.gz OWRCNEUGKRDXMD-KDOFPFPSSA-N 1 1 373.453 3.143 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@H](Cc4ccncc4)C3)n2)cc1 ZINC000360324728 498265395 /nfs/dbraw/zinc/26/53/95/498265395.db2.gz XSLYNMROSKTKRU-OAHLLOKOSA-N 1 1 365.393 3.104 20 5 FGBDMO Cc1cc([C@@H]2CCCN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)[nH]n1 ZINC000360402796 498272164 /nfs/dbraw/zinc/27/21/64/498272164.db2.gz URSHIJRKJVDCEU-CQSZACIVSA-N 1 1 368.397 3.056 20 5 FGBDMO Cc1cc([C@@H]2CCC[N@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)n[nH]1 ZINC000360402796 498272172 /nfs/dbraw/zinc/27/21/72/498272172.db2.gz URSHIJRKJVDCEU-CQSZACIVSA-N 1 1 368.397 3.056 20 5 FGBDMO Cc1cc([C@@H]2CCC[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)n[nH]1 ZINC000360402796 498272180 /nfs/dbraw/zinc/27/21/80/498272180.db2.gz URSHIJRKJVDCEU-CQSZACIVSA-N 1 1 368.397 3.056 20 5 FGBDMO Cc1cc([C@@H]2CCC[N@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)[nH]n1 ZINC000360402796 498272187 /nfs/dbraw/zinc/27/21/87/498272187.db2.gz URSHIJRKJVDCEU-CQSZACIVSA-N 1 1 368.397 3.056 20 5 FGBDMO Cc1cc([C@@H]2CCC[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)[nH]n1 ZINC000360402796 498272194 /nfs/dbraw/zinc/27/21/94/498272194.db2.gz URSHIJRKJVDCEU-CQSZACIVSA-N 1 1 368.397 3.056 20 5 FGBDMO CCOC(=O)c1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000301811785 498274188 /nfs/dbraw/zinc/27/41/88/498274188.db2.gz ZSNSKBDBLDOKNP-KBXCAEBGSA-N 1 1 373.453 3.225 20 5 FGBDMO Cc1cc(N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301833379 498285592 /nfs/dbraw/zinc/28/55/92/498285592.db2.gz SCEDEBRVUKMZCI-SUMWQHHRSA-N 1 1 355.442 3.137 20 5 FGBDMO Cc1cc(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301835550 498286665 /nfs/dbraw/zinc/28/66/65/498286665.db2.gz ULBFCYQPSKETHD-UKRRQHHQSA-N 1 1 353.426 3.397 20 5 FGBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH+]2CCC(C3OCCO3)CC2)c1 ZINC000293308069 498339793 /nfs/dbraw/zinc/33/97/93/498339793.db2.gz ZWGHPTNFYKSZBV-UHFFFAOYSA-N 1 1 360.332 3.199 20 5 FGBDMO Cc1cnn([C@@H]2CC[N@@H+]([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)c1 ZINC000289970889 498376125 /nfs/dbraw/zinc/37/61/25/498376125.db2.gz RDTDMBZFGVYNMK-CZUORRHYSA-N 1 1 368.397 3.158 20 5 FGBDMO Cc1cnn([C@@H]2CC[N@H+]([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)c1 ZINC000289970889 498376131 /nfs/dbraw/zinc/37/61/31/498376131.db2.gz RDTDMBZFGVYNMK-CZUORRHYSA-N 1 1 368.397 3.158 20 5 FGBDMO O=[N+]([O-])c1cc(F)c(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c(F)c1 ZINC000302038401 498379344 /nfs/dbraw/zinc/37/93/44/498379344.db2.gz GRSYPYMKSDAUOU-HNNXBMFYSA-N 1 1 363.364 3.052 20 5 FGBDMO CC[NH+](CC)[C@@H](c1nc(Cc2ccc([N+](=O)[O-])cn2)no1)c1ccccc1 ZINC000290039084 498403827 /nfs/dbraw/zinc/40/38/27/498403827.db2.gz IVKMMLJRETVJTQ-GOSISDBHSA-N 1 1 367.409 3.395 20 5 FGBDMO COC(=O)c1cc([N+](=O)[O-])c(N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Cl ZINC000286514536 498422861 /nfs/dbraw/zinc/42/28/61/498422861.db2.gz XJTIMDFULSIPMP-FOSCPWQOSA-N 1 1 367.833 3.096 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@H](OC)C[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000282276036 498448803 /nfs/dbraw/zinc/44/88/03/498448803.db2.gz HVQZSFPURNQCNY-WCQYABFASA-N 1 1 374.384 3.247 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000282276036 498448812 /nfs/dbraw/zinc/44/88/12/498448812.db2.gz HVQZSFPURNQCNY-WCQYABFASA-N 1 1 374.384 3.247 20 5 FGBDMO C[NH+]1CCN(CCC(C)(C)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000302232068 498452553 /nfs/dbraw/zinc/45/25/53/498452553.db2.gz CKYFVJKIOPHTBJ-UHFFFAOYSA-N 1 1 374.407 3.442 20 5 FGBDMO C[C@H](CCN1CC[NH+](C)CC1)Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000302305616 498467472 /nfs/dbraw/zinc/46/74/72/498467472.db2.gz ZKLQOVPDZMVJOD-MRXNPFEDSA-N 1 1 369.469 3.095 20 5 FGBDMO Cc1cc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc(N2CCCC2)[nH+]1 ZINC000290263468 498487150 /nfs/dbraw/zinc/48/71/50/498487150.db2.gz AZIUFBRDTHKLJV-UHFFFAOYSA-N 1 1 374.828 3.482 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)c1 ZINC000575962740 506043490 /nfs/dbraw/zinc/04/34/90/506043490.db2.gz UZJFLXFBYKRCAN-UHFFFAOYSA-N 1 1 354.410 3.137 20 5 FGBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ncc(-c4ccccc4)o3)CC2)n1 ZINC000365505863 498501774 /nfs/dbraw/zinc/50/17/74/498501774.db2.gz DKRXHJLHBKENQL-UHFFFAOYSA-N 1 1 353.382 3.283 20 5 FGBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@H](C)c2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000297786215 498567406 /nfs/dbraw/zinc/56/74/06/498567406.db2.gz AITXFTCUEXKYPK-CYBMUJFWSA-N 1 1 373.409 3.331 20 5 FGBDMO C[C@@H]([NH2+]Cc1ccncc1OC[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000287133693 498643263 /nfs/dbraw/zinc/64/32/63/498643263.db2.gz AFHGFYVHOINYQQ-CABCVRRESA-N 1 1 357.410 3.256 20 5 FGBDMO Cn1ccnc1-c1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000365810572 498650418 /nfs/dbraw/zinc/65/04/18/498650418.db2.gz BLLBYWDAVVCGMY-UHFFFAOYSA-N 1 1 367.365 3.193 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)cc1[N+](=O)[O-] ZINC000363132278 498666543 /nfs/dbraw/zinc/66/65/43/498666543.db2.gz ZMDAPHRIMFJMMC-YJBOKZPZSA-N 1 1 368.437 3.140 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)cc1[N+](=O)[O-] ZINC000363132278 498666549 /nfs/dbraw/zinc/66/65/49/498666549.db2.gz ZMDAPHRIMFJMMC-YJBOKZPZSA-N 1 1 368.437 3.140 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(F)c2F)[C@H]1c1ccccc1 ZINC000363163006 498681292 /nfs/dbraw/zinc/68/12/92/498681292.db2.gz RCKSWSFBFJOBFD-NVXWUHKLSA-N 1 1 361.348 3.048 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000303494127 498681916 /nfs/dbraw/zinc/68/19/16/498681916.db2.gz SVLJQOPMKFLYQD-MRXNPFEDSA-N 1 1 355.438 3.310 20 5 FGBDMO O=C(C[N@H+]1CCC[C@@]2(CC=CCC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000303554359 498691704 /nfs/dbraw/zinc/69/17/04/498691704.db2.gz KBXLUFYCFHXZQQ-FQEVSTJZSA-N 1 1 355.438 3.306 20 5 FGBDMO COc1ccc(C(=O)N2CCC(Nc3cccc(C)[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000363224944 498712247 /nfs/dbraw/zinc/71/22/47/498712247.db2.gz FOQWHPDVDMFWJP-UHFFFAOYSA-N 1 1 370.409 3.024 20 5 FGBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000332596625 498736016 /nfs/dbraw/zinc/73/60/16/498736016.db2.gz GVVYROWQQYMGDT-STQMWFEESA-N 1 1 371.359 3.312 20 5 FGBDMO COc1ccc([N+](=O)[O-])c(NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c1 ZINC000581896466 506085247 /nfs/dbraw/zinc/08/52/47/506085247.db2.gz DSCMCIBDXUKDJH-OAHLLOKOSA-N 1 1 371.437 3.436 20 5 FGBDMO COc1ccc([N+](=O)[O-])c(NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c1 ZINC000581896466 506085252 /nfs/dbraw/zinc/08/52/52/506085252.db2.gz DSCMCIBDXUKDJH-OAHLLOKOSA-N 1 1 371.437 3.436 20 5 FGBDMO O=C1CCc2cc([N+](=O)[O-])c(N[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2N1 ZINC000312739412 498764293 /nfs/dbraw/zinc/76/42/93/498764293.db2.gz XQBDQUSCTYKMHV-INIZCTEOSA-N 1 1 366.421 3.166 20 5 FGBDMO CNc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cc1[N+](=O)[O-] ZINC000312800874 498764769 /nfs/dbraw/zinc/76/47/69/498764769.db2.gz QJFGGBZJUWJOKG-WMLDXEAASA-N 1 1 368.437 3.029 20 5 FGBDMO COC[C@@]1(C)CC[N@@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000295030402 498886343 /nfs/dbraw/zinc/88/63/43/498886343.db2.gz DDHHXJRIYGLGGZ-KRWDZBQOSA-N 1 1 374.384 3.106 20 5 FGBDMO O=C1COc2ccc(C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc2N1 ZINC000295245307 498954783 /nfs/dbraw/zinc/95/47/83/498954783.db2.gz FKMKRCITGXYANZ-UHFFFAOYSA-N 1 1 353.378 3.090 20 5 FGBDMO O=C1COc2ccc(C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc2N1 ZINC000295245307 498954786 /nfs/dbraw/zinc/95/47/86/498954786.db2.gz FKMKRCITGXYANZ-UHFFFAOYSA-N 1 1 353.378 3.090 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000366574097 498984955 /nfs/dbraw/zinc/98/49/55/498984955.db2.gz OKTTZZZTYWPKOF-ZDUSSCGKSA-N 1 1 362.430 3.084 20 5 FGBDMO O=C(CC[N@@H+]1CCC[C@@H]1c1nccs1)Nc1cc([N+](=O)[O-])ccc1F ZINC000372596847 499151486 /nfs/dbraw/zinc/15/14/86/499151486.db2.gz VNXCMRIGSVVRST-CQSZACIVSA-N 1 1 364.402 3.356 20 5 FGBDMO O=C(CC[N@H+]1CCC[C@@H]1c1nccs1)Nc1cc([N+](=O)[O-])ccc1F ZINC000372596847 499151488 /nfs/dbraw/zinc/15/14/88/499151488.db2.gz VNXCMRIGSVVRST-CQSZACIVSA-N 1 1 364.402 3.356 20 5 FGBDMO Cc1[nH+]ccn1-c1ncccc1NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000370238624 499200646 /nfs/dbraw/zinc/20/06/46/499200646.db2.gz MQXRETODNNRMJQ-UHFFFAOYSA-N 1 1 373.319 3.214 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](Cc2ccc(C(F)F)cc2)C1 ZINC000368118875 499266209 /nfs/dbraw/zinc/26/62/09/499266209.db2.gz PDXFCBWAOCDDBJ-ZDUSSCGKSA-N 1 1 350.369 3.331 20 5 FGBDMO CCOc1ccc(C(=O)N2CCC[C@H]2Cn2cc[nH+]c2CC)cc1[N+](=O)[O-] ZINC000371121677 499290520 /nfs/dbraw/zinc/29/05/20/499290520.db2.gz FTFTYUDHAXXJQA-HNNXBMFYSA-N 1 1 372.425 3.057 20 5 FGBDMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000371660143 499351955 /nfs/dbraw/zinc/35/19/55/499351955.db2.gz MRJNVULDQWWJFM-HZPDHXFCSA-N 1 1 351.834 3.224 20 5 FGBDMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000371660143 499351956 /nfs/dbraw/zinc/35/19/56/499351956.db2.gz MRJNVULDQWWJFM-HZPDHXFCSA-N 1 1 351.834 3.224 20 5 FGBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCc1[nH+]c(C)n2c1CCCC2 ZINC000371877654 499374729 /nfs/dbraw/zinc/37/47/29/499374729.db2.gz XYCQSPFSQVUGET-ACCUITESSA-N 1 1 354.410 3.156 20 5 FGBDMO Cc1ccnc([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000570341225 506145405 /nfs/dbraw/zinc/14/54/05/506145405.db2.gz DQAKELJEPJJWNP-CABCVRRESA-N 1 1 354.410 3.115 20 5 FGBDMO Cc1ccnc([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000570341225 506145409 /nfs/dbraw/zinc/14/54/09/506145409.db2.gz DQAKELJEPJJWNP-CABCVRRESA-N 1 1 354.410 3.115 20 5 FGBDMO CC(C)c1ccc(NC(=O)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000369490688 499408568 /nfs/dbraw/zinc/40/85/68/499408568.db2.gz OSUSXUHKVNCOTR-UHFFFAOYSA-N 1 1 371.441 3.190 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000372216135 499409947 /nfs/dbraw/zinc/40/99/47/499409947.db2.gz HEADZXRAMUUUKZ-KRWDZBQOSA-N 1 1 368.437 3.117 20 5 FGBDMO Cc1ccnc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000570341231 506145656 /nfs/dbraw/zinc/14/56/56/506145656.db2.gz DQAKELJEPJJWNP-LSDHHAIUSA-N 1 1 354.410 3.115 20 5 FGBDMO Cc1ccnc([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000570341231 506145660 /nfs/dbraw/zinc/14/56/60/506145660.db2.gz DQAKELJEPJJWNP-LSDHHAIUSA-N 1 1 354.410 3.115 20 5 FGBDMO C[N@H+]1CC[C@@H](CNC(=O)NCc2ccccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000369543399 499415150 /nfs/dbraw/zinc/41/51/50/499415150.db2.gz GGLYGHLRSDQNKM-YOEHRIQHSA-N 1 1 374.466 3.149 20 5 FGBDMO O=C(CC[N@H+]1CCC[C@]2(CCCCO2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000373172745 499455140 /nfs/dbraw/zinc/45/51/40/499455140.db2.gz KLJZOXCNBMGHEC-GOSISDBHSA-N 1 1 365.405 3.098 20 5 FGBDMO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000373459041 499471125 /nfs/dbraw/zinc/47/11/25/499471125.db2.gz JTPGVIKUXZFLQX-MAODMQOUSA-N 1 1 369.465 3.128 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc2c1C[N@H+](C1CC1)C2 ZINC000375236083 499497945 /nfs/dbraw/zinc/49/79/45/499497945.db2.gz DSTZERSGNGYIIT-UHFFFAOYSA-N 1 1 353.378 3.334 20 5 FGBDMO CSc1ccc(C(=O)NCc2[nH+]c(C)n3c2CCCC3)cc1[N+](=O)[O-] ZINC000378316036 499500917 /nfs/dbraw/zinc/50/09/17/499500917.db2.gz XIJNYHSIVQGAOC-UHFFFAOYSA-N 1 1 360.439 3.088 20 5 FGBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C1CCN(c2cnccn2)CC1 ZINC000375307463 499505668 /nfs/dbraw/zinc/50/56/68/499505668.db2.gz GNIHICKFSKNIDW-UHFFFAOYSA-N 1 1 361.833 3.139 20 5 FGBDMO CC(C)n1cnnc1[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000375372782 499511736 /nfs/dbraw/zinc/51/17/36/499511736.db2.gz GDBLSCMKWQAUFE-CQSZACIVSA-N 1 1 374.401 3.055 20 5 FGBDMO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000375372782 499511738 /nfs/dbraw/zinc/51/17/38/499511738.db2.gz GDBLSCMKWQAUFE-CQSZACIVSA-N 1 1 374.401 3.055 20 5 FGBDMO O=c1cc(C[N@@H+]2CCO[C@]3(CCCOC3)C2)c2c(ccc3ccccc32)o1 ZINC000375667530 499543125 /nfs/dbraw/zinc/54/31/25/499543125.db2.gz WXXOSPMWYMEJBT-JOCHJYFZSA-N 1 1 365.429 3.328 20 5 FGBDMO O=c1cc(C[N@H+]2CCO[C@]3(CCCOC3)C2)c2c(ccc3ccccc32)o1 ZINC000375667530 499543127 /nfs/dbraw/zinc/54/31/27/499543127.db2.gz WXXOSPMWYMEJBT-JOCHJYFZSA-N 1 1 365.429 3.328 20 5 FGBDMO Cc1cc(N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000388882170 499551829 /nfs/dbraw/zinc/55/18/29/499551829.db2.gz DQJIZWZYWGYTTG-QZTJIDSGSA-N 1 1 352.438 3.257 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCCC4(CCOCC4)C3)n2)c1 ZINC000375890941 499565297 /nfs/dbraw/zinc/56/52/97/499565297.db2.gz MQASXWYNSXWNQR-UHFFFAOYSA-N 1 1 358.398 3.037 20 5 FGBDMO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000377284052 499676586 /nfs/dbraw/zinc/67/65/86/499676586.db2.gz XZLHHNJLSFRPPQ-OAHLLOKOSA-N 1 1 358.373 3.351 20 5 FGBDMO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000377284052 499676587 /nfs/dbraw/zinc/67/65/87/499676587.db2.gz XZLHHNJLSFRPPQ-OAHLLOKOSA-N 1 1 358.373 3.351 20 5 FGBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2c2cc(C)no2)c([N+](=O)[O-])c1 ZINC000411177790 499707243 /nfs/dbraw/zinc/70/72/43/499707243.db2.gz ZJBVVODPHHZKJD-HNNXBMFYSA-N 1 1 374.397 3.066 20 5 FGBDMO C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411217513 499712612 /nfs/dbraw/zinc/71/26/12/499712612.db2.gz MERXBPXFUMMNJJ-KXBFYZLASA-N 1 1 369.421 3.385 20 5 FGBDMO C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411217513 499712613 /nfs/dbraw/zinc/71/26/13/499712613.db2.gz MERXBPXFUMMNJJ-KXBFYZLASA-N 1 1 369.421 3.385 20 5 FGBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000377741207 499727245 /nfs/dbraw/zinc/72/72/45/499727245.db2.gz MMSXJSXKXQRRSE-IIDMSEBBSA-N 1 1 370.453 3.444 20 5 FGBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@H](C)c2cccnc2)c([N+](=O)[O-])c1 ZINC000411419438 499737905 /nfs/dbraw/zinc/73/79/05/499737905.db2.gz KQDXHCLTXGNBPQ-CYBMUJFWSA-N 1 1 358.398 3.020 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000411450740 499742139 /nfs/dbraw/zinc/74/21/39/499742139.db2.gz UZGKALYNLSHGHI-QGWWYQLQSA-N 1 1 359.470 3.183 20 5 FGBDMO CCOC(=O)c1[nH]c(C)c(C(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1C ZINC000411451042 499742170 /nfs/dbraw/zinc/74/21/70/499742170.db2.gz HSUFYDJVJRTORT-GFCCVEGCSA-N 1 1 373.409 3.250 20 5 FGBDMO CC[C@@H](CO)[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000411504106 499748716 /nfs/dbraw/zinc/74/87/16/499748716.db2.gz LVQRVBRMILGNHF-KRWDZBQOSA-N 1 1 371.437 3.197 20 5 FGBDMO C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000414419185 499789349 /nfs/dbraw/zinc/78/93/49/499789349.db2.gz ZQHVXEYCFYBEQB-HNNXBMFYSA-N 1 1 354.410 3.333 20 5 FGBDMO C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000414419185 499789351 /nfs/dbraw/zinc/78/93/51/499789351.db2.gz ZQHVXEYCFYBEQB-HNNXBMFYSA-N 1 1 354.410 3.333 20 5 FGBDMO CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000411894328 499801544 /nfs/dbraw/zinc/80/15/44/499801544.db2.gz RFXSPZRYILHXPF-AEFFLSMTSA-N 1 1 366.377 3.047 20 5 FGBDMO CC(C)[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H]1CCC(=O)N1 ZINC000414563585 499809969 /nfs/dbraw/zinc/80/99/69/499809969.db2.gz WIDMMMWPELEDOK-HNNXBMFYSA-N 1 1 357.410 3.344 20 5 FGBDMO C[C@H](c1cccnc1)[NH+]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413140857 499918793 /nfs/dbraw/zinc/91/87/93/499918793.db2.gz LXPZZMYZHRUKAC-OAHLLOKOSA-N 1 1 363.421 3.421 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)[C@H](C)C1 ZINC000413497387 499972752 /nfs/dbraw/zinc/97/27/52/499972752.db2.gz FYSQNDKOYOFHAZ-GDBMZVCRSA-N 1 1 363.458 3.184 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])s1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425011220 499992778 /nfs/dbraw/zinc/99/27/78/499992778.db2.gz XJRLLNHKWCXOME-LSDHHAIUSA-N 1 1 357.435 3.003 20 5 FGBDMO COc1ccc(NC(=O)C[NH2+]C(C)(C)c2ccccc2F)c([N+](=O)[O-])c1 ZINC000429250412 500034013 /nfs/dbraw/zinc/03/40/13/500034013.db2.gz AKTFYFSCKIPQSQ-UHFFFAOYSA-N 1 1 361.373 3.206 20 5 FGBDMO CCN1CCN(C[C@H](C)C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417304352 500034364 /nfs/dbraw/zinc/03/43/64/500034364.db2.gz FHACUJCXGOKGHR-DYESRHJHSA-N 1 1 374.529 3.226 20 5 FGBDMO CSC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000429290267 500044769 /nfs/dbraw/zinc/04/47/69/500044769.db2.gz YYPDWNHXGHHHNU-NSHDSACASA-N 1 1 357.863 3.262 20 5 FGBDMO CSC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000429290267 500044771 /nfs/dbraw/zinc/04/47/71/500044771.db2.gz YYPDWNHXGHHHNU-NSHDSACASA-N 1 1 357.863 3.262 20 5 FGBDMO O=[N+]([O-])c1cnc(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)c(Cl)c1 ZINC000425278840 500063718 /nfs/dbraw/zinc/06/37/18/500063718.db2.gz TVQMADXDWCYRGG-WMLDXEAASA-N 1 1 358.829 3.354 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCCCC[C@@H]1CCO ZINC000425445807 500108512 /nfs/dbraw/zinc/10/85/12/500108512.db2.gz PQKPPHFRHUKYBA-CQSZACIVSA-N 1 1 357.248 3.484 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCCCC[C@@H]1CCO ZINC000425445807 500108509 /nfs/dbraw/zinc/10/85/09/500108509.db2.gz PQKPPHFRHUKYBA-CQSZACIVSA-N 1 1 357.248 3.484 20 5 FGBDMO COC(=O)[C@@H](CC[N@@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000425458786 500112214 /nfs/dbraw/zinc/11/22/14/500112214.db2.gz NXBTUGXAVNESAG-SFHVURJKSA-N 1 1 356.422 3.416 20 5 FGBDMO Cc1c(C[N@@H+](C)CCCN2C(=O)c3ccccc3C2=O)cccc1[N+](=O)[O-] ZINC000425547754 500141276 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CBUSYFSDCOFRGU-GFCCVEGCSA-N 1 1 359.373 3.109 20 5 FGBDMO COCCCN1CCC([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433167921 500638335 /nfs/dbraw/zinc/63/83/35/500638335.db2.gz KKILVTDFEZRYTN-IBGZPJMESA-N 1 1 361.486 3.408 20 5 FGBDMO NC(=O)c1ccc(C[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)c([N+](=O)[O-])c1 ZINC000433295141 500663890 /nfs/dbraw/zinc/66/38/90/500663890.db2.gz OLXCSPYUCKZOIP-AWEZNQCLSA-N 1 1 359.813 3.337 20 5 FGBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000447894178 500686998 /nfs/dbraw/zinc/68/69/98/500686998.db2.gz RXUFHSKELIWBRU-CQSZACIVSA-N 1 1 354.838 3.490 20 5 FGBDMO COc1cc(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000437865298 500709644 /nfs/dbraw/zinc/70/96/44/500709644.db2.gz JYBKVEBMWAMWHJ-MRXNPFEDSA-N 1 1 361.442 3.130 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)c([N+](=O)[O-])cc1OC(F)F ZINC000443349780 500713731 /nfs/dbraw/zinc/71/37/31/500713731.db2.gz YSVLHZIYEIMRNY-LOWVWBTDSA-N 1 1 374.384 3.186 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCCCOc3ccccc3)C2)nc1 ZINC000438093769 500736749 /nfs/dbraw/zinc/73/67/49/500736749.db2.gz JJMRGSJZLQBHND-INIZCTEOSA-N 1 1 356.426 3.335 20 5 FGBDMO O=[N+]([O-])c1cnc(NC[C@H]2CCCC[N@@H+]2C2CC2)c(Br)c1 ZINC000433795216 500745262 /nfs/dbraw/zinc/74/52/62/500745262.db2.gz CGQZUMXBQUZJQC-LLVKDONJSA-N 1 1 355.236 3.181 20 5 FGBDMO O=[N+]([O-])c1cnc(NC[C@H]2CCCC[N@H+]2C2CC2)c(Br)c1 ZINC000433795216 500745265 /nfs/dbraw/zinc/74/52/65/500745265.db2.gz CGQZUMXBQUZJQC-LLVKDONJSA-N 1 1 355.236 3.181 20 5 FGBDMO C[C@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[N@H+]1CC(C)(C)O ZINC000438337913 500773090 /nfs/dbraw/zinc/77/30/90/500773090.db2.gz BFFLMNRCORVBNX-HNNXBMFYSA-N 1 1 373.453 3.132 20 5 FGBDMO CN(Cc1ccc([N+](=O)[O-])cc1F)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434022864 500783237 /nfs/dbraw/zinc/78/32/37/500783237.db2.gz CAGWMWZPHRJJBU-LPHOPBHVSA-N 1 1 358.417 3.254 20 5 FGBDMO Cc1c(F)cccc1NC(=O)CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000438516757 500795896 /nfs/dbraw/zinc/79/58/96/500795896.db2.gz KPBXAXBMAUGRGS-UHFFFAOYSA-N 1 1 357.385 3.429 20 5 FGBDMO COCC[N@@H+](CCc1ccccc1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444621564 500868387 /nfs/dbraw/zinc/86/83/87/500868387.db2.gz SKXSBGSOLNUFGL-UHFFFAOYSA-N 1 1 354.410 3.162 20 5 FGBDMO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000448923409 500870380 /nfs/dbraw/zinc/87/03/80/500870380.db2.gz FRZWQSVAENKYOF-GFCCVEGCSA-N 1 1 371.359 3.360 20 5 FGBDMO COc1ccc(NC(=O)CC[N@H+]2CCSC(C)(C)CC2)c([N+](=O)[O-])c1 ZINC000434713331 500883105 /nfs/dbraw/zinc/88/31/05/500883105.db2.gz ZJAQTQQNLMHYFU-UHFFFAOYSA-N 1 1 367.471 3.150 20 5 FGBDMO CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000439463948 500900231 /nfs/dbraw/zinc/90/02/31/500900231.db2.gz CFGBUGLULAZFRE-QGZVFWFLSA-N 1 1 370.833 3.040 20 5 FGBDMO CCOC(=O)[C@]1(COC)CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000439463948 500900235 /nfs/dbraw/zinc/90/02/35/500900235.db2.gz CFGBUGLULAZFRE-QGZVFWFLSA-N 1 1 370.833 3.040 20 5 FGBDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000439688095 500926028 /nfs/dbraw/zinc/92/60/28/500926028.db2.gz PICQBLZMMOUOFO-HNNXBMFYSA-N 1 1 358.442 3.316 20 5 FGBDMO C[C@@H](CN1CCOCC1)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000435046482 500926571 /nfs/dbraw/zinc/92/65/71/500926571.db2.gz SHEPSUAJVXPVAX-HNNXBMFYSA-N 1 1 359.426 3.007 20 5 FGBDMO C[N@H+](CCc1ccncc1)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602608835 506229433 /nfs/dbraw/zinc/22/94/33/506229433.db2.gz XDXRDIFTQFNXOP-UHFFFAOYSA-N 1 1 356.245 3.488 20 5 FGBDMO C[N@@H+](CCc1ccncc1)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602608835 506229441 /nfs/dbraw/zinc/22/94/41/506229441.db2.gz XDXRDIFTQFNXOP-UHFFFAOYSA-N 1 1 356.245 3.488 20 5 FGBDMO C[NH+](C)Cc1cnc(CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000449496230 501017921 /nfs/dbraw/zinc/01/79/21/501017921.db2.gz GFUGVYRJKKTJHD-HNNXBMFYSA-N 1 1 360.483 3.493 20 5 FGBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000445893999 501048269 /nfs/dbraw/zinc/04/82/69/501048269.db2.gz NXUADKQSDUBHAB-OWCLPIDISA-N 1 1 374.485 3.029 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]CC(C)(C)C1(O)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000449737994 501071815 /nfs/dbraw/zinc/07/18/15/501071815.db2.gz WXHFPFCRSXQCAV-KRWDZBQOSA-N 1 1 372.469 3.339 20 5 FGBDMO CCNc1ccc(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)cc1[N+](=O)[O-] ZINC000441119861 501090491 /nfs/dbraw/zinc/09/04/91/501090491.db2.gz WATVJJJNCPFDBE-INIZCTEOSA-N 1 1 360.458 3.021 20 5 FGBDMO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000450531904 501146498 /nfs/dbraw/zinc/14/64/98/501146498.db2.gz VFPTZOSHFZBXSV-BBRMVZONSA-N 1 1 374.466 3.018 20 5 FGBDMO Cc1cc(N2CC[N@H+](C3CC3)C[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450546385 501150870 /nfs/dbraw/zinc/15/08/70/501150870.db2.gz HFVHAOKLYYGWDP-AWEZNQCLSA-N 1 1 367.453 3.281 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3OC3CC3)C2)nc1 ZINC000450567251 501156585 /nfs/dbraw/zinc/15/65/85/501156585.db2.gz LRJSAWGRLBQAMP-HNNXBMFYSA-N 1 1 354.410 3.217 20 5 FGBDMO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446840273 501171874 /nfs/dbraw/zinc/17/18/74/501171874.db2.gz YDFWCRSVKRQOBU-IFXJQAMLSA-N 1 1 365.437 3.081 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446840273 501171876 /nfs/dbraw/zinc/17/18/76/501171876.db2.gz YDFWCRSVKRQOBU-IFXJQAMLSA-N 1 1 365.437 3.081 20 5 FGBDMO C[C@H](c1ccccc1Cl)[NH+]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596071272 506240689 /nfs/dbraw/zinc/24/06/89/506240689.db2.gz NXLCHWLHVHFWIJ-GFCCVEGCSA-N 1 1 362.817 3.232 20 5 FGBDMO Cc1ccccc1CC[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000451165127 501249320 /nfs/dbraw/zinc/24/93/20/501249320.db2.gz JJNMHROGZOHMGH-UHFFFAOYSA-N 1 1 369.421 3.376 20 5 FGBDMO COC(=O)c1c(Cl)c(N[C@H]2CC[N@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] 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/nfs/dbraw/zinc/30/96/65/501309665.db2.gz MFJASUDGAHJWEE-AWEZNQCLSA-N 1 1 360.458 3.495 20 5 FGBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCCC[C@H]2CO)cc1OC ZINC000611661192 506246213 /nfs/dbraw/zinc/24/62/13/506246213.db2.gz MNPIBEJJFYJRCN-ZBFHGGJFSA-N 1 1 366.458 3.375 20 5 FGBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCCC[C@H]2CO)cc1OC ZINC000611661192 506246221 /nfs/dbraw/zinc/24/62/21/506246221.db2.gz MNPIBEJJFYJRCN-ZBFHGGJFSA-N 1 1 366.458 3.375 20 5 FGBDMO C[N@@H+](CCCCNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000455601799 501344018 /nfs/dbraw/zinc/34/40/18/501344018.db2.gz CTGPXTXEHPCQSF-QGZVFWFLSA-N 1 1 374.485 3.358 20 5 FGBDMO CC1(C)Cc2cc(C[NH+]3CCN(c4ncccc4[N+](=O)[O-])CC3)ccc2O1 ZINC000453571919 501350610 /nfs/dbraw/zinc/35/06/10/501350610.db2.gz COVDKUCTUWAOJD-UHFFFAOYSA-N 1 1 368.437 3.026 20 5 FGBDMO COCC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1c(C)nn(C)c1C ZINC000453608767 501360498 /nfs/dbraw/zinc/36/04/98/501360498.db2.gz HOVVPOYLWMULAI-CLFYSBASSA-N 1 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C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000467847870 501889838 /nfs/dbraw/zinc/88/98/38/501889838.db2.gz AKYPFFIKQNJDSD-LDQXTDLNSA-N 1 1 369.465 3.128 20 5 FGBDMO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000467847870 501889844 /nfs/dbraw/zinc/88/98/44/501889844.db2.gz AKYPFFIKQNJDSD-LDQXTDLNSA-N 1 1 369.465 3.128 20 5 FGBDMO C[C@@H]1C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@H]1c1ccccc1 ZINC000471016900 501892910 /nfs/dbraw/zinc/89/29/10/501892910.db2.gz GBDVZIKIQGVCOE-NIKGAXFTSA-N 1 1 351.406 3.393 20 5 FGBDMO C[C@@H]1C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@H]1c1ccccc1 ZINC000471016900 501892913 /nfs/dbraw/zinc/89/29/13/501892913.db2.gz GBDVZIKIQGVCOE-NIKGAXFTSA-N 1 1 351.406 3.393 20 5 FGBDMO COC(=O)c1cnc(N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000478283583 501930479 /nfs/dbraw/zinc/93/04/79/501930479.db2.gz SAXYXBJSRMMMLI-CJNGLKHVSA-N 1 1 370.409 3.024 20 5 FGBDMO 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502110263 /nfs/dbraw/zinc/11/02/63/502110263.db2.gz JDTSXGITJFECER-IBGZPJMESA-N 1 1 369.421 3.305 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCOC[C@H]1c1ccccc1 ZINC000464829412 502110269 /nfs/dbraw/zinc/11/02/69/502110269.db2.gz JDTSXGITJFECER-IBGZPJMESA-N 1 1 369.421 3.305 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@H]4COCC[C@@H]43)o2)c1 ZINC000464854046 502122659 /nfs/dbraw/zinc/12/26/59/502122659.db2.gz PPGOTLRCQWZCOE-RDJZCZTQSA-N 1 1 357.410 3.293 20 5 FGBDMO Cc1sc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000475318201 502132159 /nfs/dbraw/zinc/13/21/59/502132159.db2.gz PCOVVKXUQNOPOB-HNNXBMFYSA-N 1 1 359.451 3.311 20 5 FGBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000461617918 502154168 /nfs/dbraw/zinc/15/41/68/502154168.db2.gz IAQNXPSIRMVUIE-KGLIPLIRSA-N 1 1 353.488 3.312 20 5 FGBDMO CC(C)C[N@H+]1CC[C@@H](CNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])C1 ZINC000465054932 502182737 /nfs/dbraw/zinc/18/27/37/502182737.db2.gz ACZZXLXCPNLGFM-HNNXBMFYSA-N 1 1 362.474 3.123 20 5 FGBDMO Cc1cc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(F)cc1[N+](=O)[O-] ZINC000461783020 502199815 /nfs/dbraw/zinc/19/98/15/502199815.db2.gz CMHVWNZPIGCSHV-GASCZTMLSA-N 1 1 365.449 3.368 20 5 FGBDMO CC[C@H]1CCC[N@@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CC1 ZINC000475703899 502258864 /nfs/dbraw/zinc/25/88/64/502258864.db2.gz QGQYQOAHPBSRQO-AWEZNQCLSA-N 1 1 350.415 3.159 20 5 FGBDMO CC(C)C[C@@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)[NH+]1CCOCC1 ZINC000462085779 502301992 /nfs/dbraw/zinc/30/19/92/502301992.db2.gz BRDJEKMOBCOQGW-AWEZNQCLSA-N 1 1 373.400 3.355 20 5 FGBDMO Cc1cc(N2CC[N@@H+](C)[C@H](C(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000487111615 502362304 /nfs/dbraw/zinc/36/23/04/502362304.db2.gz KEAMLFFTUKTGBY-KRWDZBQOSA-N 1 1 355.442 3.137 20 5 FGBDMO C[C@]1(c2ccc(F)cc2)CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000483409408 502379345 /nfs/dbraw/zinc/37/93/45/502379345.db2.gz QMBIIDDAZRKVRY-ICSRJNTNSA-N 1 1 374.412 3.137 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000480208525 502502755 /nfs/dbraw/zinc/50/27/55/502502755.db2.gz WULKMYKLXKIHLN-HOCLYGCPSA-N 1 1 369.421 3.420 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000480208525 502502759 /nfs/dbraw/zinc/50/27/59/502502759.db2.gz WULKMYKLXKIHLN-HOCLYGCPSA-N 1 1 369.421 3.420 20 5 FGBDMO COc1ccc(NC(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)cc1[N+](=O)[O-] ZINC000483936363 502524470 /nfs/dbraw/zinc/52/44/70/502524470.db2.gz ZMVWENOYJOGVKO-HNNXBMFYSA-N 1 1 364.446 3.235 20 5 FGBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000466302242 502531377 /nfs/dbraw/zinc/53/13/77/502531377.db2.gz DFYKEOVGEIEQNN-CZUORRHYSA-N 1 1 357.385 3.299 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000462693754 502535637 /nfs/dbraw/zinc/53/56/37/502535637.db2.gz ZNYBOXJHVAQWDG-PBHICJAKSA-N 1 1 363.421 3.470 20 5 FGBDMO C[C@@H]1C[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000466515878 502593566 /nfs/dbraw/zinc/59/35/66/502593566.db2.gz PMEPBBCFEBYZDA-PBHICJAKSA-N 1 1 354.410 3.379 20 5 FGBDMO COCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CCC[C@H]1C ZINC000488058653 502615030 /nfs/dbraw/zinc/61/50/30/502615030.db2.gz FAJUHJRBBHGVKM-CRAIPNDOSA-N 1 1 363.458 3.369 20 5 FGBDMO COCC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCC[C@@H]1C ZINC000488086119 502622258 /nfs/dbraw/zinc/62/22/58/502622258.db2.gz DSCRZJRNWVSPEJ-HOCLYGCPSA-N 1 1 352.431 3.119 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000462934529 502631640 /nfs/dbraw/zinc/63/16/40/502631640.db2.gz HDWIAFNFGXGVFC-JFIYKMOQSA-N 1 1 361.486 3.400 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000463034744 502668753 /nfs/dbraw/zinc/66/87/53/502668753.db2.gz FZCOAKCTIMOAII-CQSZACIVSA-N 1 1 373.384 3.028 20 5 FGBDMO Cc1ccc([C@@H]2CCC[N@H+]2C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000484632316 502689501 /nfs/dbraw/zinc/68/95/01/502689501.db2.gz YHEAKSFSMBMYBR-QUCCMNQESA-N 1 1 356.422 3.480 20 5 FGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCN(c2nc(C)ns2)CC1 ZINC000470174206 502693604 /nfs/dbraw/zinc/69/36/04/502693604.db2.gz IWLOSKUJLKVBAF-KAMYIIQDSA-N 1 1 373.482 3.370 20 5 FGBDMO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000488472975 502724528 /nfs/dbraw/zinc/72/45/28/502724528.db2.gz VTVQQRAVYDOLBU-XQQFMLRXSA-N 1 1 374.445 3.294 20 5 FGBDMO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)[nH]1 ZINC000488483609 502728597 /nfs/dbraw/zinc/72/85/97/502728597.db2.gz JCSUSOJNXRGGFU-AVGNSLFASA-N 1 1 374.445 3.294 20 5 FGBDMO COc1cc(C[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)ccc1[N+](=O)[O-] ZINC000488989477 502854892 /nfs/dbraw/zinc/85/48/92/502854892.db2.gz XPFVKGKJJXRAGE-CQSZACIVSA-N 1 1 361.373 3.181 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)ccc1[N+](=O)[O-] ZINC000488989477 502854895 /nfs/dbraw/zinc/85/48/95/502854895.db2.gz XPFVKGKJJXRAGE-CQSZACIVSA-N 1 1 361.373 3.181 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](C)c2cc(OC)ccc2OC)c1 ZINC000593021807 506342529 /nfs/dbraw/zinc/34/25/29/506342529.db2.gz WZMHUGBAHOMMLA-GFCCVEGCSA-N 1 1 374.393 3.249 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000509509475 502921479 /nfs/dbraw/zinc/92/14/79/502921479.db2.gz KWLDGSQHUYPGNP-OLZOCXBDSA-N 1 1 351.472 3.262 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000509509475 502921483 /nfs/dbraw/zinc/92/14/83/502921483.db2.gz KWLDGSQHUYPGNP-OLZOCXBDSA-N 1 1 351.472 3.262 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)c1 ZINC000593023959 506343425 /nfs/dbraw/zinc/34/34/25/506343425.db2.gz IBSFBSQBEBDAFZ-SCLBCKFNSA-N 1 1 355.394 3.360 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)c1 ZINC000593023959 506343428 /nfs/dbraw/zinc/34/34/28/506343428.db2.gz IBSFBSQBEBDAFZ-SCLBCKFNSA-N 1 1 355.394 3.360 20 5 FGBDMO Cc1ccc([C@@H](C)NC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000489446613 502960847 /nfs/dbraw/zinc/96/08/47/502960847.db2.gz ISIOOCQJEDPGCR-GOEBONIOSA-N 1 1 374.485 3.480 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC(F)(c3ccccn3)CC2)c1 ZINC000593029385 506346086 /nfs/dbraw/zinc/34/60/86/506346086.db2.gz BRJSHEPLPHPJGF-UHFFFAOYSA-N 1 1 373.384 3.237 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000505907931 503011828 /nfs/dbraw/zinc/01/18/28/503011828.db2.gz VQTZBNKUTOTDOL-SJLPKXTDSA-N 1 1 359.470 3.250 20 5 FGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000506260170 503080346 /nfs/dbraw/zinc/08/03/46/503080346.db2.gz PHPXURVRJWUMBS-RBSFLKMASA-N 1 1 365.499 3.312 20 5 FGBDMO CC[N@H+]1C[C@@H](C)N(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000498251182 503142473 /nfs/dbraw/zinc/14/24/73/503142473.db2.gz KSVGTPHFMUBQDL-HZPDHXFCSA-N 1 1 362.474 3.042 20 5 FGBDMO CCOC(=O)Cc1ccc(NC[C@H]2CC[N@H+]2C2CCCC2)c([N+](=O)[O-])c1 ZINC000599164747 506355133 /nfs/dbraw/zinc/35/51/33/506355133.db2.gz LPLYDISOKBDBPY-MRXNPFEDSA-N 1 1 361.442 3.129 20 5 FGBDMO COc1ccccc1-c1ncc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cn1 ZINC000490584047 503199316 /nfs/dbraw/zinc/19/93/16/503199316.db2.gz WUPQGIFILMHHPK-UHFFFAOYSA-N 1 1 350.378 3.350 20 5 FGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000510950945 503223503 /nfs/dbraw/zinc/22/35/03/503223503.db2.gz MEDFIHPQDALFEU-STQMWFEESA-N 1 1 373.375 3.436 20 5 FGBDMO COCCn1cc(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cn1 ZINC000502589879 503233495 /nfs/dbraw/zinc/23/34/95/503233495.db2.gz ASXBZGRYHUFVOE-HXUWFJFHSA-N 1 1 366.421 3.317 20 5 FGBDMO COCCOc1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000507162576 503241217 /nfs/dbraw/zinc/24/12/17/503241217.db2.gz VMHLWINKWWKEGF-UHFFFAOYSA-N 1 1 360.410 3.261 20 5 FGBDMO COCCOc1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000507162576 503241222 /nfs/dbraw/zinc/24/12/22/503241222.db2.gz VMHLWINKWWKEGF-UHFFFAOYSA-N 1 1 360.410 3.261 20 5 FGBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc(-c2ccc(F)cc2)no1 ZINC000511068175 503245698 /nfs/dbraw/zinc/24/56/98/503245698.db2.gz ZAQXYZOXOSMZFR-UHFFFAOYSA-N 1 1 356.357 3.458 20 5 FGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc(-c2ccc(F)cc2)no1 ZINC000511068175 503245701 /nfs/dbraw/zinc/24/57/01/503245701.db2.gz ZAQXYZOXOSMZFR-UHFFFAOYSA-N 1 1 356.357 3.458 20 5 FGBDMO C[C@@H](c1cn(-c2ccccc2)nn1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511106940 503256753 /nfs/dbraw/zinc/25/67/53/503256753.db2.gz MSEJYFHXGVKPLV-HNNXBMFYSA-N 1 1 351.410 3.411 20 5 FGBDMO C[C@@H](c1cn(-c2ccccc2)nn1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511106940 503256757 /nfs/dbraw/zinc/25/67/57/503256757.db2.gz MSEJYFHXGVKPLV-HNNXBMFYSA-N 1 1 351.410 3.411 20 5 FGBDMO C[C@@H](C(=O)N(C)Cc1ccccc1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511141828 503267988 /nfs/dbraw/zinc/26/79/88/503267988.db2.gz NHGPBMOVZBPWBY-INIZCTEOSA-N 1 1 355.438 3.116 20 5 FGBDMO C[C@@H](C(=O)N(C)Cc1ccccc1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511141828 503267989 /nfs/dbraw/zinc/26/79/89/503267989.db2.gz NHGPBMOVZBPWBY-INIZCTEOSA-N 1 1 355.438 3.116 20 5 FGBDMO CC[N@@H+](C)Cc1cccc(CNc2cc(C(=O)OC)ccc2[N+](=O)[O-])c1 ZINC000515085643 503268257 /nfs/dbraw/zinc/26/82/57/503268257.db2.gz YKCPREJZJNSUBE-UHFFFAOYSA-N 1 1 357.410 3.445 20 5 FGBDMO CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000491204620 503286122 /nfs/dbraw/zinc/28/61/22/503286122.db2.gz BIWUNEKZMREAMW-ZFWWWQNUSA-N 1 1 351.422 3.251 20 5 FGBDMO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511351912 503305546 /nfs/dbraw/zinc/30/55/46/503305546.db2.gz RGSDIIPHRYWFME-ZFWWWQNUSA-N 1 1 363.433 3.046 20 5 FGBDMO Cn1ccnc1[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000515308590 503311711 /nfs/dbraw/zinc/31/17/11/503311711.db2.gz RUXMATIGUYHNJZ-NSHDSACASA-N 1 1 354.332 3.337 20 5 FGBDMO C[N@@H+](CCC1CCCCC1)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000507637339 503336144 /nfs/dbraw/zinc/33/61/44/503336144.db2.gz SUGFKVWTLXPSCB-UHFFFAOYSA-N 1 1 363.414 3.164 20 5 FGBDMO Cc1ncc([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000602956834 506365580 /nfs/dbraw/zinc/36/55/80/506365580.db2.gz OEEPZOBGYBJSIG-MRVPVSSYSA-N 1 1 354.819 3.302 20 5 FGBDMO COc1cccc([C@@H](C)[NH+]2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000507689642 503348428 /nfs/dbraw/zinc/34/84/28/503348428.db2.gz TXLXCUOFEWNWNY-MRXNPFEDSA-N 1 1 355.438 3.482 20 5 FGBDMO C[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cncc(F)c1 ZINC000611941817 506367895 /nfs/dbraw/zinc/36/78/95/506367895.db2.gz IOQDGJDURWDRBO-VIFPVBQESA-N 1 1 352.753 3.072 20 5 FGBDMO COc1cc(C[N@H+]2CCc3ccc(C(C)=O)cc3CC2)ccc1[N+](=O)[O-] ZINC000492805011 503386397 /nfs/dbraw/zinc/38/63/97/503386397.db2.gz FQGFMVKIWAMTOS-UHFFFAOYSA-N 1 1 354.406 3.407 20 5 FGBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000515860966 503412843 /nfs/dbraw/zinc/41/28/43/503412843.db2.gz VIAVJYINAKNOTK-CYBMUJFWSA-N 1 1 353.438 3.248 20 5 FGBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000511909090 503413634 /nfs/dbraw/zinc/41/36/34/503413634.db2.gz HBUCJWVOGKPAMS-KRWDZBQOSA-N 1 1 360.458 3.143 20 5 FGBDMO CCC[C@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)CC[N@H+]1CCOC ZINC000499657181 503451138 /nfs/dbraw/zinc/45/11/38/503451138.db2.gz BYJBMKQTLLNQRT-HNNXBMFYSA-N 1 1 358.442 3.080 20 5 FGBDMO CC[N@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000593068788 506373344 /nfs/dbraw/zinc/37/33/44/506373344.db2.gz PIFASFHVKBOKMG-LBPRGKRZSA-N 1 1 360.357 3.206 20 5 FGBDMO CC[N@@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000593068788 506373352 /nfs/dbraw/zinc/37/33/52/506373352.db2.gz PIFASFHVKBOKMG-LBPRGKRZSA-N 1 1 360.357 3.206 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2C)cc1F ZINC000512148636 503469856 /nfs/dbraw/zinc/46/98/56/503469856.db2.gz MVBBSALMAPYJNO-UHFFFAOYSA-N 1 1 368.368 3.466 20 5 FGBDMO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000494047585 503478950 /nfs/dbraw/zinc/47/89/50/503478950.db2.gz JAOXRJZCYBMTOS-CRAIPNDOSA-N 1 1 353.422 3.296 20 5 FGBDMO C/C(=C/c1ccccc1)C[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000494233170 503508711 /nfs/dbraw/zinc/50/87/11/503508711.db2.gz GRTJPHFSUMVIPU-JVCXIRSZSA-N 1 1 356.422 3.370 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](OCC3CC3)C2)cccc1[N+](=O)[O-] ZINC000494654191 503584959 /nfs/dbraw/zinc/58/49/59/503584959.db2.gz WTYDDNXQGDJUEH-HOCLYGCPSA-N 1 1 361.442 3.121 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@H](OCC3CC3)C2)cccc1[N+](=O)[O-] ZINC000494654191 503584963 /nfs/dbraw/zinc/58/49/63/503584963.db2.gz WTYDDNXQGDJUEH-HOCLYGCPSA-N 1 1 361.442 3.121 20 5 FGBDMO C[C@H]1[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000516886576 503608416 /nfs/dbraw/zinc/60/84/16/503608416.db2.gz OLBISWYRNKRGJO-KSSFIOAISA-N 1 1 354.410 3.379 20 5 FGBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000500425238 503621298 /nfs/dbraw/zinc/62/12/98/503621298.db2.gz NMWGTTIBZKXXFN-GJZGRUSLSA-N 1 1 368.437 3.033 20 5 FGBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000500425238 503621301 /nfs/dbraw/zinc/62/13/01/503621301.db2.gz NMWGTTIBZKXXFN-GJZGRUSLSA-N 1 1 368.437 3.033 20 5 FGBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000495087400 503664702 /nfs/dbraw/zinc/66/47/02/503664702.db2.gz WFDWNRALXXARKH-CYBMUJFWSA-N 1 1 351.472 3.119 20 5 FGBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000495087400 503664708 /nfs/dbraw/zinc/66/47/08/503664708.db2.gz WFDWNRALXXARKH-CYBMUJFWSA-N 1 1 351.472 3.119 20 5 FGBDMO CC(C)OCC[NH+]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000536660902 503665072 /nfs/dbraw/zinc/66/50/72/503665072.db2.gz HVOUVNQYLXUJIT-UHFFFAOYSA-N 1 1 373.453 3.397 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(Cc2cccnc2)CC1 ZINC000536708345 503691660 /nfs/dbraw/zinc/69/16/60/503691660.db2.gz UIAAEIVNWGJLMT-UHFFFAOYSA-N 1 1 368.437 3.191 20 5 FGBDMO CC[N@@H+](CCC1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1)CC(C)C ZINC000536894931 503752660 /nfs/dbraw/zinc/75/26/60/503752660.db2.gz ZXHJKJAVQAPZOT-UHFFFAOYSA-N 1 1 374.489 3.222 20 5 FGBDMO CCc1ccc([C@H](N[C@@H]2CC[N@@H+](CCOC)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543402653 503755427 /nfs/dbraw/zinc/75/54/27/503755427.db2.gz LXNJCUOSEZSFBR-OXQOHEQNSA-N 1 1 373.453 3.150 20 5 FGBDMO CCc1ccc([C@H]([NH2+][C@@H]2CCN(CCOC)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543402653 503755436 /nfs/dbraw/zinc/75/54/36/503755436.db2.gz LXNJCUOSEZSFBR-OXQOHEQNSA-N 1 1 373.453 3.150 20 5 FGBDMO C[N@@H+](CCc1cccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)c1)C1CC1 ZINC000540429335 503767879 /nfs/dbraw/zinc/76/78/79/503767879.db2.gz ZUDYSJPAYNGNEM-UHFFFAOYSA-N 1 1 372.400 3.205 20 5 FGBDMO CN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000517650072 503797747 /nfs/dbraw/zinc/79/77/47/503797747.db2.gz ZRBIDXSTBOBSOC-HNNXBMFYSA-N 1 1 372.450 3.027 20 5 FGBDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000533370195 503820713 /nfs/dbraw/zinc/82/07/13/503820713.db2.gz WKJJMJDUFRQWCS-HNNXBMFYSA-N 1 1 358.442 3.316 20 5 FGBDMO CC(C)(C)[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1O ZINC000543631997 503835496 /nfs/dbraw/zinc/83/54/96/503835496.db2.gz PDTUJRTUVOLTGZ-KGLIPLIRSA-N 1 1 358.385 3.425 20 5 FGBDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1O ZINC000543631997 503835503 /nfs/dbraw/zinc/83/55/03/503835503.db2.gz PDTUJRTUVOLTGZ-KGLIPLIRSA-N 1 1 358.385 3.425 20 5 FGBDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000543691640 503853375 /nfs/dbraw/zinc/85/33/75/503853375.db2.gz HUMDYTSQCZCOQS-UHFFFAOYSA-N 1 1 352.410 3.462 20 5 FGBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000518281772 503943499 /nfs/dbraw/zinc/94/34/99/503943499.db2.gz HAVQWEKNQVHAPR-GUYCJALGSA-N 1 1 357.385 3.299 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H](CO)CC(F)(F)F)cs2)c1 ZINC000533802976 503955156 /nfs/dbraw/zinc/95/51/56/503955156.db2.gz KBYDDPTWIFOQRS-SNVBAGLBSA-N 1 1 361.345 3.121 20 5 FGBDMO COc1ccc2c(c1)CC[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)CC2 ZINC000534102340 504040651 /nfs/dbraw/zinc/04/06/51/504040651.db2.gz CONZEZRTRYCBAM-UHFFFAOYSA-N 1 1 353.378 3.345 20 5 FGBDMO CC(C)C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000541274945 504070170 /nfs/dbraw/zinc/07/01/70/504070170.db2.gz SOQCWPULMLPTLN-UHFFFAOYSA-N 1 1 354.472 3.269 20 5 FGBDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000534292912 504098869 /nfs/dbraw/zinc/09/88/69/504098869.db2.gz GOSRRRKBANOVPD-KRWDZBQOSA-N 1 1 362.389 3.060 20 5 FGBDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000534292912 504098873 /nfs/dbraw/zinc/09/88/73/504098873.db2.gz GOSRRRKBANOVPD-KRWDZBQOSA-N 1 1 362.389 3.060 20 5 FGBDMO Cc1ncc(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c(=O)[nH]1 ZINC000544384654 504111669 /nfs/dbraw/zinc/11/16/69/504111669.db2.gz ASBSEVFVQLPLHC-GOSISDBHSA-N 1 1 350.378 3.278 20 5 FGBDMO C[C@H](NC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000538145512 504145458 /nfs/dbraw/zinc/14/54/58/504145458.db2.gz UWYOFDRJZLLFEM-XHSDSOJGSA-N 1 1 362.474 3.323 20 5 FGBDMO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)[N@@H+](C)Cc1ccccc1 ZINC000544678038 504213357 /nfs/dbraw/zinc/21/33/57/504213357.db2.gz YUCJSLWENKSNTB-CYBMUJFWSA-N 1 1 360.389 3.376 20 5 FGBDMO O=C1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CN1c1ccccc1Cl ZINC000538400295 504235500 /nfs/dbraw/zinc/23/55/00/504235500.db2.gz NFQYJUJIJBFNLI-NSHDSACASA-N 1 1 351.815 3.205 20 5 FGBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@]3(CC[C@@H](C)C3)C2)c([N+](=O)[O-])c1 ZINC000541951826 504313314 /nfs/dbraw/zinc/31/33/14/504313314.db2.gz KVONSNBUNDKDCJ-KUHUBIRLSA-N 1 1 361.442 3.444 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@H]([C@@H](C)O)C2)cc1OC ZINC000541958929 504316221 /nfs/dbraw/zinc/31/62/21/504316221.db2.gz WPQQZCKZLKLWTB-ZNMIVQPWSA-N 1 1 366.458 3.231 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccc(-n3cncn3)c(F)c2)C2CC2)cc1 ZINC000535072237 504335059 /nfs/dbraw/zinc/33/50/59/504335059.db2.gz QMRFJSLPALNSCG-UHFFFAOYSA-N 1 1 367.384 3.479 20 5 FGBDMO CC(C)(C)[N@H+]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000545153407 504377318 /nfs/dbraw/zinc/37/73/18/504377318.db2.gz KKNABBVWFCLCPN-UHFFFAOYSA-N 1 1 365.449 3.344 20 5 FGBDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000535274308 504389358 /nfs/dbraw/zinc/38/93/58/504389358.db2.gz ATXCUZHXSNTJNT-SFHVURJKSA-N 1 1 353.422 3.175 20 5 FGBDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000535274308 504389362 /nfs/dbraw/zinc/38/93/62/504389362.db2.gz ATXCUZHXSNTJNT-SFHVURJKSA-N 1 1 353.422 3.175 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(Cc2cccnc2)CC1 ZINC000538944963 504425654 /nfs/dbraw/zinc/42/56/54/504425654.db2.gz CRVRRGHFRCPKLK-UHFFFAOYSA-N 1 1 368.437 3.191 20 5 FGBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000520347834 504473265 /nfs/dbraw/zinc/47/32/65/504473265.db2.gz AIIXWXJBMFDFHJ-CYBMUJFWSA-N 1 1 351.422 3.364 20 5 FGBDMO CCc1ccc([C@H]([NH2+]CC(C)(C)C(=O)NC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542494061 504512673 /nfs/dbraw/zinc/51/26/73/504512673.db2.gz JLMRPPGKVKTYPC-QGZVFWFLSA-N 1 1 359.426 3.201 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)c([N+](=O)[O-])cc1OC(F)F ZINC000532058187 504520670 /nfs/dbraw/zinc/52/06/70/504520670.db2.gz JPPHPGYTBKKUKC-DGCLKSJQSA-N 1 1 372.368 3.206 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)c([N+](=O)[O-])cc1OC(F)F ZINC000532058186 504521341 /nfs/dbraw/zinc/52/13/41/504521341.db2.gz JPPHPGYTBKKUKC-AAEUAGOBSA-N 1 1 372.368 3.206 20 5 FGBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000520888912 504603649 /nfs/dbraw/zinc/60/36/49/504603649.db2.gz YLLOMMOPYXLQCD-QGZVFWFLSA-N 1 1 362.474 3.391 20 5 FGBDMO COc1ccc(C[NH+]2CCC(Nc3nc(C)cs3)CC2)cc1[N+](=O)[O-] ZINC000546028765 504680360 /nfs/dbraw/zinc/68/03/60/504680360.db2.gz CZPVJFNWOPIDNV-UHFFFAOYSA-N 1 1 362.455 3.445 20 5 FGBDMO Cn1cc(C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000539895650 504733138 /nfs/dbraw/zinc/73/31/38/504733138.db2.gz YHLNGKOASZZKIX-SJORKVTESA-N 1 1 370.453 3.244 20 5 FGBDMO Cn1cc(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000539895636 504733153 /nfs/dbraw/zinc/73/31/53/504733153.db2.gz YHLNGKOASZZKIX-DLBZAZTESA-N 1 1 370.453 3.244 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000549243680 504736401 /nfs/dbraw/zinc/73/64/01/504736401.db2.gz FCIJDJRJLWLLQE-HNNXBMFYSA-N 1 1 363.458 3.378 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000543140825 504739901 /nfs/dbraw/zinc/73/99/01/504739901.db2.gz VBUPHKGVXFSBDR-DLBZAZTESA-N 1 1 360.385 3.311 20 5 FGBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+](CCO)[C@H]2CCCSC2)c1 ZINC000559188324 504798991 /nfs/dbraw/zinc/79/89/91/504798991.db2.gz ZMNMDBYUWVOQTC-ZDUSSCGKSA-N 1 1 364.389 3.304 20 5 FGBDMO CCOc1cc(N2CC[NH+](Cc3ccncc3C)CC2)ccc1[N+](=O)[O-] ZINC000556168884 504809577 /nfs/dbraw/zinc/80/95/77/504809577.db2.gz LTGVFCLJICTPIP-UHFFFAOYSA-N 1 1 356.426 3.019 20 5 FGBDMO O=C(C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)Nc1cccc(F)c1 ZINC000556217728 504821625 /nfs/dbraw/zinc/82/16/25/504821625.db2.gz XCCCWJBQVALCGY-UHFFFAOYSA-N 1 1 369.299 3.064 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000553153294 504839330 /nfs/dbraw/zinc/83/93/30/504839330.db2.gz MEDKQQOHVMREPT-WMLDXEAASA-N 1 1 368.437 3.016 20 5 FGBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549529435 504842984 /nfs/dbraw/zinc/84/29/84/504842984.db2.gz UKNPMUFGQBFDGW-SNVBAGLBSA-N 1 1 370.331 3.185 20 5 FGBDMO O=C1C[C@@H]([C@H]2CCCC[N@@H+]2Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CN1 ZINC000549531481 504843498 /nfs/dbraw/zinc/84/34/98/504843498.db2.gz BPZHTYURFKWOBS-IAQYHMDHSA-N 1 1 371.359 3.104 20 5 FGBDMO O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)c1csc([N+](=O)[O-])c1 ZINC000553771980 505005060 /nfs/dbraw/zinc/00/50/60/505005060.db2.gz WPVBHXALDBPLNT-HNNXBMFYSA-N 1 1 351.472 3.431 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000560454358 505090384 /nfs/dbraw/zinc/09/03/84/505090384.db2.gz AESMYRRSTFGMMN-UHFFFAOYSA-N 1 1 351.472 3.262 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000560454358 505090388 /nfs/dbraw/zinc/09/03/88/505090388.db2.gz AESMYRRSTFGMMN-UHFFFAOYSA-N 1 1 351.472 3.262 20 5 FGBDMO C[C@H](Cc1ccc(O)cc1)[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000560526431 505115808 /nfs/dbraw/zinc/11/58/08/505115808.db2.gz DKWBWUOJNBXSEM-KUHUBIRLSA-N 1 1 366.421 3.344 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]CCC[C@H]1CCCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000560544142 505120833 /nfs/dbraw/zinc/12/08/33/505120833.db2.gz FTEMWWAWAJYYMT-AYOQOUSVSA-N 1 1 372.469 3.339 20 5 FGBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)Cc1cccc([N+](=O)[O-])c1 ZINC000563843492 505254393 /nfs/dbraw/zinc/25/43/93/505254393.db2.gz RWKJLKVTXIVZKM-HXUWFJFHSA-N 1 1 354.454 3.476 20 5 FGBDMO O=C(C[N@@H+]1CCC=C(c2ccccc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000551707963 505288293 /nfs/dbraw/zinc/28/82/93/505288293.db2.gz XRCVYLVEKMWOKU-UHFFFAOYSA-N 1 1 363.417 3.273 20 5 FGBDMO O=C(C[N@H+]1CCC=C(c2ccccc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000551707963 505288296 /nfs/dbraw/zinc/28/82/96/505288296.db2.gz XRCVYLVEKMWOKU-UHFFFAOYSA-N 1 1 363.417 3.273 20 5 FGBDMO C[C@H](CCNc1cccc(C(N)=O)c1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000561265990 505299277 /nfs/dbraw/zinc/29/92/77/505299277.db2.gz WNGWYPSMIHESCS-CQSZACIVSA-N 1 1 356.426 3.016 20 5 FGBDMO C[C@@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000561349764 505322574 /nfs/dbraw/zinc/32/25/74/505322574.db2.gz AXLOESAOKNZSAV-LBPRGKRZSA-N 1 1 356.348 3.373 20 5 FGBDMO CCOC1CC(CC[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000552067811 505389044 /nfs/dbraw/zinc/38/90/44/505389044.db2.gz YTCHHYUAWJOTAY-UYJHFMRCSA-N 1 1 358.442 3.213 20 5 FGBDMO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000561746756 505425352 /nfs/dbraw/zinc/42/53/52/505425352.db2.gz NCQVRVSAQNBRAK-RLFYNMQTSA-N 1 1 359.470 3.061 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000561773735 505434439 /nfs/dbraw/zinc/43/44/39/505434439.db2.gz IIHYAIZLJXXMQC-SFHVURJKSA-N 1 1 363.483 3.265 20 5 FGBDMO Cn1cc(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000564533731 505444209 /nfs/dbraw/zinc/44/42/09/505444209.db2.gz XHFZCYQETVKLDA-PKOBYXMFSA-N 1 1 370.453 3.385 20 5 FGBDMO C[C@@H]1C[C@H](CC[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000552283433 505450012 /nfs/dbraw/zinc/45/00/12/505450012.db2.gz CYSVNECQLPLZOV-RKVPGOIHSA-N 1 1 358.442 3.213 20 5 FGBDMO Cc1ccccc1CNC(=O)[C@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558740341 505479108 /nfs/dbraw/zinc/47/91/08/505479108.db2.gz FXDYVCIPIOOTNE-INIZCTEOSA-N 1 1 355.438 3.082 20 5 FGBDMO CCc1nn(C)c(NCC(C)(C)[N@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000552408038 505485196 /nfs/dbraw/zinc/48/51/96/505485196.db2.gz SYTHMVHFAFWXFA-UHFFFAOYSA-N 1 1 357.458 3.140 20 5 FGBDMO O=[N+]([O-])c1ccc(NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c(Cl)c1 ZINC000596423551 506398874 /nfs/dbraw/zinc/39/88/74/506398874.db2.gz LERLNGFBQOVJQY-INIZCTEOSA-N 1 1 361.829 3.427 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000612174766 506472611 /nfs/dbraw/zinc/47/26/11/506472611.db2.gz SNAFYDGOGDQEES-FZKQIMNGSA-N 1 1 373.384 3.214 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000612174766 506472618 /nfs/dbraw/zinc/47/26/18/506472618.db2.gz SNAFYDGOGDQEES-FZKQIMNGSA-N 1 1 373.384 3.214 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000596634488 506500822 /nfs/dbraw/zinc/50/08/22/506500822.db2.gz HKDBWZADELEBGS-KRWDZBQOSA-N 1 1 354.410 3.299 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)C[C@@H]2OCCc3ccccc32)c1 ZINC000589496732 506568183 /nfs/dbraw/zinc/56/81/83/506568183.db2.gz JGNSDRFQIUMYRE-IBGZPJMESA-N 1 1 370.405 3.127 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)C[C@@H]2OCCc3ccccc32)c1 ZINC000589496732 506568188 /nfs/dbraw/zinc/56/81/88/506568188.db2.gz JGNSDRFQIUMYRE-IBGZPJMESA-N 1 1 370.405 3.127 20 5 FGBDMO Cc1c(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000603602013 506572699 /nfs/dbraw/zinc/57/26/99/506572699.db2.gz YDAGZJFYKUUZHH-QGZVFWFLSA-N 1 1 353.422 3.298 20 5 FGBDMO COCC[C@H]1CCCC[N@@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589511862 506574661 /nfs/dbraw/zinc/57/46/61/506574661.db2.gz BFIBMCJWXBRCRM-CQSZACIVSA-N 1 1 350.415 3.020 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1 ZINC000589516115 506576039 /nfs/dbraw/zinc/57/60/39/506576039.db2.gz CXDLDDYWPFFIHM-LSDHHAIUSA-N 1 1 362.426 3.020 20 5 FGBDMO CC(C)C[N@@H+](C)CCCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000593423507 506614216 /nfs/dbraw/zinc/61/42/16/506614216.db2.gz WNNRMYAAFQWFDQ-UHFFFAOYSA-N 1 1 362.474 3.247 20 5 FGBDMO CC[N@@H+](CCCNc1cc(N)c([N+](=O)[O-])c(CO)c1)C1CCCCC1 ZINC000593489729 506649323 /nfs/dbraw/zinc/64/93/23/506649323.db2.gz XVHWMNZSNWPRIF-UHFFFAOYSA-N 1 1 350.463 3.126 20 5 FGBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599830920 506664388 /nfs/dbraw/zinc/66/43/88/506664388.db2.gz ZNMVVAKCDNQNCH-KBPBESRZSA-N 1 1 371.441 3.385 20 5 FGBDMO CC(C)(NC(=O)NCC[NH+]1Cc2ccccc2C1)c1ccccc1[N+](=O)[O-] ZINC000589872636 506668221 /nfs/dbraw/zinc/66/82/21/506668221.db2.gz XZJSCFZNEWYKIN-UHFFFAOYSA-N 1 1 368.437 3.145 20 5 FGBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cccc3c2CCC3)CC1 ZINC000593630596 506709307 /nfs/dbraw/zinc/70/93/07/506709307.db2.gz WZCDEOCAEUZZNM-UHFFFAOYSA-N 1 1 365.433 3.042 20 5 FGBDMO C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000604122358 506721496 /nfs/dbraw/zinc/72/14/96/506721496.db2.gz LSBRFKKXXUWEPW-CRAIPNDOSA-N 1 1 368.437 3.230 20 5 FGBDMO COc1ccc(C[N@@H+](C)[C@@H](C)CCO)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000593693625 506734368 /nfs/dbraw/zinc/73/43/68/506734368.db2.gz AUXCIRWLRYDPNH-HNNXBMFYSA-N 1 1 374.437 3.385 20 5 FGBDMO COc1cc(C[N@@H+](C)[C@H](C)CCO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000593694591 506736517 /nfs/dbraw/zinc/73/65/17/506736517.db2.gz OFBBVNDTEQWPRU-OAHLLOKOSA-N 1 1 374.437 3.385 20 5 FGBDMO COc1cc(C[N@@H+](C)[C@@H](C)CCO)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000593694796 506736962 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FGBDMO COC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)c(F)c1 ZINC000609540532 506913440 /nfs/dbraw/zinc/91/34/40/506913440.db2.gz GFSKGTVIZNTABG-UHFFFAOYSA-N 1 1 364.348 3.438 20 5 FGBDMO COC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)c(F)c1 ZINC000609540532 506913448 /nfs/dbraw/zinc/91/34/48/506913448.db2.gz GFSKGTVIZNTABG-UHFFFAOYSA-N 1 1 364.348 3.438 20 5 FGBDMO COc1ccc(-c2ccc(C[NH2+]CC(=O)NC3CCCC3)o2)c([N+](=O)[O-])c1 ZINC000609544501 506916015 /nfs/dbraw/zinc/91/60/15/506916015.db2.gz URGZFYJJUFVAJX-UHFFFAOYSA-N 1 1 373.409 3.012 20 5 FGBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000591030294 507086188 /nfs/dbraw/zinc/08/61/88/507086188.db2.gz MDLVGEKYFCGHMI-RBUKOAKNSA-N 1 1 359.470 3.277 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCSC3(CCC3)CC2)c2c(c1)COCO2 ZINC000591041788 507090036 /nfs/dbraw/zinc/09/00/36/507090036.db2.gz WIJCCOZYKWJZHA-UHFFFAOYSA-N 1 1 350.440 3.323 20 5 FGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C 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FGBDMO Cc1noc(C)c1C[NH+]1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601103668 507261236 /nfs/dbraw/zinc/26/12/36/507261236.db2.gz FOAQKZICSWRWKC-UHFFFAOYSA-N 1 1 367.409 3.070 20 5 FGBDMO CCn1cc([C@H]2OCCC[C@@H]2Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)cn1 ZINC000601149749 507277005 /nfs/dbraw/zinc/27/70/05/507277005.db2.gz RGSGZISGRFMXRC-RBUKOAKNSA-N 1 1 367.409 3.114 20 5 FGBDMO C[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H](O)C(F)(F)F ZINC000601151114 507279464 /nfs/dbraw/zinc/27/94/64/507279464.db2.gz PHNJCVMHAJAZHC-PRHODGIISA-N 1 1 361.345 3.120 20 5 FGBDMO C[C@@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000601158671 507283025 /nfs/dbraw/zinc/28/30/25/507283025.db2.gz AIXVQILMDUTRJQ-LPMFXHHGSA-N 1 1 357.410 3.306 20 5 FGBDMO Cc1cc(C(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000598195581 507307961 /nfs/dbraw/zinc/30/79/61/507307961.db2.gz OSTFHFPPWZRYIC-LJQANCHMSA-N 1 1 367.449 3.292 20 5 FGBDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000598195416 507308194 /nfs/dbraw/zinc/30/81/94/507308194.db2.gz MXKSMHOZQKBZDA-HNNXBMFYSA-N 1 1 359.451 3.045 20 5 FGBDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000598195417 507308221 /nfs/dbraw/zinc/30/82/21/507308221.db2.gz MXKSMHOZQKBZDA-OAHLLOKOSA-N 1 1 359.451 3.045 20 5 FGBDMO COC[C@@H](C)Oc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000594918472 507314028 /nfs/dbraw/zinc/31/40/28/507314028.db2.gz ABDUUMLCSATTMT-CQSZACIVSA-N 1 1 360.410 3.307 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c1 ZINC000591839067 507385997 /nfs/dbraw/zinc/38/59/97/507385997.db2.gz RDVWLHJDNBQHDZ-SFHVURJKSA-N 1 1 374.437 3.163 20 5 FGBDMO CCOC(=O)Cc1ccc(N[C@H]2C[N@@H+](C)Cc3ccccc32)c([N+](=O)[O-])c1 ZINC000591923486 507409980 /nfs/dbraw/zinc/40/99/80/507409980.db2.gz AQBKSJSCNVIXBA-SFHVURJKSA-N 1 1 369.421 3.299 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000591985404 507440431 /nfs/dbraw/zinc/44/04/31/507440431.db2.gz INBUQKGGTBWZNT-SJORKVTESA-N 1 1 369.421 3.139 20 5 FGBDMO CC(C)(C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000598558860 507486555 /nfs/dbraw/zinc/48/65/55/507486555.db2.gz FMXAKIKVWMPUGX-MRXNPFEDSA-N 1 1 359.470 3.111 20 5 FGBDMO Cc1noc(CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)n1 ZINC000592132252 507498028 /nfs/dbraw/zinc/49/80/28/507498028.db2.gz FIKBEDYJBNAYLA-QAQDUYKDSA-N 1 1 374.441 3.025 20 5 FGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000595483372 507524527 /nfs/dbraw/zinc/52/45/27/507524527.db2.gz GRJAOGOEFQSWPZ-MRXNPFEDSA-N 1 1 361.486 3.354 20 5 FGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000595490298 507526760 /nfs/dbraw/zinc/52/67/60/507526760.db2.gz PDYGQHKCFKUCDU-LJQANCHMSA-N 1 1 362.376 3.300 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCN(C(C)=O)c2ccccc21 ZINC000598678523 507548772 /nfs/dbraw/zinc/54/87/72/507548772.db2.gz RCKXMAJVTMEAMT-QGZVFWFLSA-N 1 1 355.394 3.191 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2ccc(CN3CC[NH+](C[C@H]4CCCO4)CC3)o2)c1 ZINC000611252850 507581921 /nfs/dbraw/zinc/58/19/21/507581921.db2.gz YNRAWTGXNNFZTJ-GOSISDBHSA-N 1 1 371.437 3.151 20 5 FGBDMO CC(C)[N@@H+](CCc1nccs1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611274660 507598735 /nfs/dbraw/zinc/59/87/35/507598735.db2.gz WYPOTGKLRINPQQ-UHFFFAOYSA-N 1 1 363.439 3.276 20 5 FGBDMO CC(C)c1[nH+]ccn1CC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000602139162 507604442 /nfs/dbraw/zinc/60/44/42/507604442.db2.gz DGEFTQCZKMFEEP-UHFFFAOYSA-N 1 1 370.331 3.250 20 5 FGBDMO CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000602158735 507608411 /nfs/dbraw/zinc/60/84/11/507608411.db2.gz DSTVRXDNTYCKKP-MRXNPFEDSA-N 1 1 356.426 3.321 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+][C@H]1C[C@@H](OC(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000592398127 507638281 /nfs/dbraw/zinc/63/82/81/507638281.db2.gz PJDDRPCHULWFLL-UAGQMJEPSA-N 1 1 358.442 3.353 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H]2CCCC[C@H]12 ZINC000595736592 507655703 /nfs/dbraw/zinc/65/57/03/507655703.db2.gz NBHNYDAAIRCBLF-INMHGKMJSA-N 1 1 350.390 3.288 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@H]([C@@H]4CCCCO4)C3)n2)cc1 ZINC000595785299 507683163 /nfs/dbraw/zinc/68/31/63/507683163.db2.gz DDUUIENKIZQURL-WBVHZDCISA-N 1 1 372.425 3.426 20 5 FGBDMO COc1cc(C[N@H+](C)CC2=CCSC2)c([N+](=O)[O-])cc1OC(F)F ZINC000595895069 507731506 /nfs/dbraw/zinc/73/15/06/507731506.db2.gz CJZBWKMHCVPYBK-UHFFFAOYSA-N 1 1 360.382 3.310 20 5 FGBDMO COc1cc(C[N@@H+](C)CC2=CCSC2)c([N+](=O)[O-])cc1OC(F)F ZINC000595895069 507731512 /nfs/dbraw/zinc/73/15/12/507731512.db2.gz CJZBWKMHCVPYBK-UHFFFAOYSA-N 1 1 360.382 3.310 20 5 FGBDMO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611557994 507737201 /nfs/dbraw/zinc/73/72/01/507737201.db2.gz QCGUMHSPEOVPFH-HNNXBMFYSA-N 1 1 369.421 3.037 20 5 FGBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611557994 507737204 /nfs/dbraw/zinc/73/72/04/507737204.db2.gz QCGUMHSPEOVPFH-HNNXBMFYSA-N 1 1 369.421 3.037 20 5 FGBDMO CCc1ccc(C(=O)NCc2ccc(C)[nH+]c2N2CCCC2)cc1[N+](=O)[O-] ZINC000611572045 507746085 /nfs/dbraw/zinc/74/60/85/507746085.db2.gz CIPAVSLDFUKATJ-UHFFFAOYSA-N 1 1 368.437 3.391 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C2CC2)cc1 ZINC000826498022 608173552 /nfs/dbraw/zinc/17/35/52/608173552.db2.gz DQYJVACVWNFAFC-UHFFFAOYSA-N 1 1 368.372 3.079 20 5 FGBDMO C[N@@H+](CCCNC(=S)Nc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000007500893 695570307 /nfs/dbraw/zinc/57/03/07/695570307.db2.gz CIOHNXIIYIPSSA-UHFFFAOYSA-N 1 1 358.467 3.403 20 5 FGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC2(N3CCCCC3)CCOCC2)c1 ZINC000111403465 700548214 /nfs/dbraw/zinc/54/82/14/700548214.db2.gz NHKGTACEHHLVBS-UHFFFAOYSA-N 1 1 367.877 3.373 20 5 FGBDMO CC(C)(C)[S@](=O)CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000116921482 700597852 /nfs/dbraw/zinc/59/78/52/700597852.db2.gz VXIRAHDJRJBUBC-DEOSSOPVSA-N 1 1 367.496 3.355 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000120400419 700654010 /nfs/dbraw/zinc/65/40/10/700654010.db2.gz KGPVZRWPUNBKSD-RISCZKNCSA-N 1 1 354.838 3.442 20 5 FGBDMO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H](O)COCc1ccccc1 ZINC000122611483 700692743 /nfs/dbraw/zinc/69/27/43/700692743.db2.gz ORZUOTQKMUJQHY-INIZCTEOSA-N 1 1 364.829 3.258 20 5 FGBDMO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000171832714 705397173 /nfs/dbraw/zinc/39/71/73/705397173.db2.gz SXKMWGFAJZNMFS-ZDUSSCGKSA-N 1 1 351.422 3.108 20 5 FGBDMO CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000171832714 705397178 /nfs/dbraw/zinc/39/71/78/705397178.db2.gz SXKMWGFAJZNMFS-ZDUSSCGKSA-N 1 1 351.422 3.108 20 5 FGBDMO 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O=[N+]([O-])c1ccc(Br)c2c1C[N@@H+](CC[C@H]1CCCO1)CC2 ZINC000792890711 723377711 /nfs/dbraw/zinc/37/77/11/723377711.db2.gz ADWYQAKRECRNMT-LLVKDONJSA-N 1 1 355.232 3.285 20 5 FGBDMO CC[N@H+](C[C@@H]1CCCO1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000764216540 723399347 /nfs/dbraw/zinc/39/93/47/723399347.db2.gz UWNMQMQXBCOMMI-YPMHNXCESA-N 1 1 355.822 3.076 20 5 FGBDMO CC[N@@H+](C[C@@H]1CCCO1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000764216540 723399349 /nfs/dbraw/zinc/39/93/49/723399349.db2.gz UWNMQMQXBCOMMI-YPMHNXCESA-N 1 1 355.822 3.076 20 5 FGBDMO C[C@@H]1C[C@H](C)[N@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000795433663 723590995 /nfs/dbraw/zinc/59/09/95/723590995.db2.gz SIDLTTUCKZNVJZ-ZJUUUORDSA-N 1 1 368.231 3.001 20 5 FGBDMO C[C@@H]1C[C@H](C)[N@@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000795433663 723590997 /nfs/dbraw/zinc/59/09/97/723590997.db2.gz SIDLTTUCKZNVJZ-ZJUUUORDSA-N 1 1 368.231 3.001 20 5 FGBDMO CN(Cc1c(Br)cccc1[N+](=O)[O-])C[C@@H]1CCC[N@@H+](C)C1 ZINC000768546058 723661374 /nfs/dbraw/zinc/66/13/74/723661374.db2.gz HRXNTORJULYALU-GFCCVEGCSA-N 1 1 356.264 3.131 20 5 FGBDMO O=C1CCCN1C[C@H]1CCCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000768555393 723661646 /nfs/dbraw/zinc/66/16/46/723661646.db2.gz QTZGWCKVSAEKRZ-CQSZACIVSA-N 1 1 351.834 3.225 20 5 FGBDMO O=C1CCCN1C[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000768555393 723661648 /nfs/dbraw/zinc/66/16/48/723661648.db2.gz QTZGWCKVSAEKRZ-CQSZACIVSA-N 1 1 351.834 3.225 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC=C(Br)C1 ZINC000799327317 724011038 /nfs/dbraw/zinc/01/10/38/724011038.db2.gz OQKZFKPNUILTTL-UHFFFAOYSA-N 1 1 368.231 3.216 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC=C(Br)C1 ZINC000799327317 724011044 /nfs/dbraw/zinc/01/10/44/724011044.db2.gz OQKZFKPNUILTTL-UHFFFAOYSA-N 1 1 368.231 3.216 20 5 FGBDMO Nc1ccc([N+](=O)[O-])c(NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)c1 ZINC000800870078 724240360 /nfs/dbraw/zinc/24/03/60/724240360.db2.gz HUIBSKSREUIQNL-MRXNPFEDSA-N 1 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ZINC000808801816 725218314 /nfs/dbraw/zinc/21/83/14/725218314.db2.gz BTNSXJBBTZLERB-UHFFFAOYSA-N 1 1 373.638 3.339 20 5 FGBDMO C[N@@H+](CCn1cc(Br)cn1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000808801816 725218316 /nfs/dbraw/zinc/21/83/16/725218316.db2.gz BTNSXJBBTZLERB-UHFFFAOYSA-N 1 1 373.638 3.339 20 5 FGBDMO CC(C)[N@H+](CCOCCO)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000810012312 725282123 /nfs/dbraw/zinc/28/21/23/725282123.db2.gz XQILYGMXTFGCLQ-UHFFFAOYSA-N 1 1 351.230 3.121 20 5 FGBDMO CC(C)[N@@H+](CCOCCO)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000810012312 725282126 /nfs/dbraw/zinc/28/21/26/725282126.db2.gz XQILYGMXTFGCLQ-UHFFFAOYSA-N 1 1 351.230 3.121 20 5 FGBDMO COCCN1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000811476448 725368079 /nfs/dbraw/zinc/36/80/79/725368079.db2.gz LFPDGFMBFKNUDM-UHFFFAOYSA-N 1 1 362.257 3.102 20 5 FGBDMO COCC[N@@H+]1CCC[C@@H]1CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811477640 725368163 /nfs/dbraw/zinc/36/81/63/725368163.db2.gz AZKQXGIKMQBSQP-CYBMUJFWSA-N 1 1 362.257 3.102 20 5 FGBDMO COCC[N@H+]1CCC[C@@H]1CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811477640 725368164 /nfs/dbraw/zinc/36/81/64/725368164.db2.gz AZKQXGIKMQBSQP-CYBMUJFWSA-N 1 1 362.257 3.102 20 5 FGBDMO O=C1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CN1c1ccccc1F ZINC000812782109 726810304 /nfs/dbraw/zinc/81/03/04/726810304.db2.gz MKLISKLEOPBJPP-GFCCVEGCSA-N 1 1 363.776 3.282 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](CCO)CC2)ccc1Br ZINC000817296009 727237823 /nfs/dbraw/zinc/23/78/23/727237823.db2.gz CDNOWFNNDXNQMS-LBPRGKRZSA-N 1 1 357.248 3.342 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](CCO)CC2)ccc1Br ZINC000817296009 727237826 /nfs/dbraw/zinc/23/78/26/727237826.db2.gz CDNOWFNNDXNQMS-LBPRGKRZSA-N 1 1 357.248 3.342 20 5 FGBDMO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CCC[C@H](CCO)CC1 ZINC000817419017 727249658 /nfs/dbraw/zinc/24/96/58/727249658.db2.gz ODKNUVVIQDXBNV-LBPRGKRZSA-N 1 1 357.248 3.342 20 5 FGBDMO CC(C)[N@H+]1CCC[C@H](COC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000842832349 730547772 /nfs/dbraw/zinc/54/77/72/730547772.db2.gz AYXWJIFJISYSIF-AWEZNQCLSA-N 1 1 352.456 3.351 20 5 FGBDMO O=[N+]([O-])c1cc(C(F)F)ccc1N1CCC([N@H+]2CCCOCC2)CC1 ZINC000853688310 731742215 /nfs/dbraw/zinc/74/22/15/731742215.db2.gz LPLLGDCWDSEHTJ-UHFFFAOYSA-N 1 1 355.385 3.224 20 5 FGBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2cccc(Br)c2[N+](=O)[O-])C1 ZINC000856737665 732050667 /nfs/dbraw/zinc/05/06/67/732050667.db2.gz KYXNOTFMTBXILZ-SNVBAGLBSA-N 1 1 351.204 3.085 20 5 FGBDMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccns1 ZINC000860055477 732442712 /nfs/dbraw/zinc/44/27/12/732442712.db2.gz ZNXFQLTUDCTJDB-BDAKNGLRSA-N 1 1 354.819 3.383 20 5 FGBDMO C[C@@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872031148 735578850 /nfs/dbraw/zinc/57/88/50/735578850.db2.gz MLJYLLDVYPQIAC-GFCCVEGCSA-N 1 1 366.414 3.129 20 5 FGBDMO COCC[N@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)CC(C)C ZINC000877966636 736750688 /nfs/dbraw/zinc/75/06/88/736750688.db2.gz RCUIJWGDKUNWPK-UHFFFAOYSA-N 1 1 368.821 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ZINC000088751455 494258541 /nfs/dbraw/zinc/25/85/41/494258541.db2.gz SMQZVBDRWAUWRY-HNNXBMFYSA-N 1 1 372.425 3.002 20 5 FGBDMO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000078295234 494272678 /nfs/dbraw/zinc/27/26/78/494272678.db2.gz CYBBFKBLSUEOEH-UHFFFAOYSA-N 1 1 374.441 3.006 20 5 FGBDMO Cc1[nH+]ccn1-c1ncccc1NC(=O)c1cc([N+](=O)[O-])cc(F)c1F ZINC000072983526 494299338 /nfs/dbraw/zinc/29/93/38/494299338.db2.gz SLYJPJDHENXSTI-UHFFFAOYSA-N 1 1 359.292 3.014 20 5 FGBDMO O=C(C[NH+]1CCC(c2ccc(O)cc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000055102651 494301330 /nfs/dbraw/zinc/30/13/30/494301330.db2.gz BYLIOFGDHZRKIS-UHFFFAOYSA-N 1 1 355.394 3.119 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000055102968 494302116 /nfs/dbraw/zinc/30/21/16/494302116.db2.gz IRSHNWBPDZEXMP-UHFFFAOYSA-N 1 1 369.421 3.427 20 5 FGBDMO COc1ccc(C[N@H+]2CCCN(c3ncc(C)cc3[N+](=O)[O-])CC2)cc1 ZINC000078628003 494333652 /nfs/dbraw/zinc/33/36/52/494333652.db2.gz MCBAIIBNGUSCEV-UHFFFAOYSA-N 1 1 356.426 3.019 20 5 FGBDMO CC[N@@H+]1CCc2nc(NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)sc2C1 ZINC000056207035 494471646 /nfs/dbraw/zinc/47/16/46/494471646.db2.gz GTPJUJRKBJCJKO-UHFFFAOYSA-N 1 1 371.422 3.163 20 5 FGBDMO CC[N@H+]1CCc2nc(NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)sc2C1 ZINC000056207035 494471651 /nfs/dbraw/zinc/47/16/51/494471651.db2.gz GTPJUJRKBJCJKO-UHFFFAOYSA-N 1 1 371.422 3.163 20 5 FGBDMO CC[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090522238 494477341 /nfs/dbraw/zinc/47/73/41/494477341.db2.gz USYOZNAFOBXJPK-RBUKOAKNSA-N 1 1 355.438 3.415 20 5 FGBDMO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000079686296 494507710 /nfs/dbraw/zinc/50/77/10/494507710.db2.gz SJQNNZPAUUQPBI-MAUKXSAKSA-N 1 1 353.422 3.378 20 5 FGBDMO CN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000074448618 494539497 /nfs/dbraw/zinc/53/94/97/494539497.db2.gz CHZALGRHCWVCAX-HXUWFJFHSA-N 1 1 367.449 3.260 20 5 FGBDMO C[N@H+](Cc1ccc(Cl)cc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000046701774 494554883 /nfs/dbraw/zinc/55/48/83/494554883.db2.gz JRABHUWMIOQNCL-INIZCTEOSA-N 1 1 350.802 3.120 20 5 FGBDMO CN(CC[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccccc1 ZINC000107681394 494583099 /nfs/dbraw/zinc/58/30/99/494583099.db2.gz KMNATTVFSUXTIH-UHFFFAOYSA-N 1 1 367.409 3.213 20 5 FGBDMO CN(CC[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccccc1 ZINC000107681394 494583109 /nfs/dbraw/zinc/58/31/09/494583109.db2.gz KMNATTVFSUXTIH-UHFFFAOYSA-N 1 1 367.409 3.213 20 5 FGBDMO CNC(=O)c1ccc(Nc2cccc(CC[N@@H+](C)C3CC3)c2)c([N+](=O)[O-])c1 ZINC000091632309 494634942 /nfs/dbraw/zinc/63/49/42/494634942.db2.gz CQTCHOXVMVSXMC-UHFFFAOYSA-N 1 1 368.437 3.335 20 5 FGBDMO CCCO[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000108392875 494696819 /nfs/dbraw/zinc/69/68/19/494696819.db2.gz QJAUFHNEDPACHS-MRXNPFEDSA-N 1 1 360.414 3.426 20 5 FGBDMO C[C@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 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OTGNAWVVAOWCPQ-UHFFFAOYSA-N 1 1 357.410 3.454 20 5 FGBDMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000027334088 494861912 /nfs/dbraw/zinc/86/19/12/494861912.db2.gz VMEYGZIFMLIYPH-OAHLLOKOSA-N 1 1 363.801 3.408 20 5 FGBDMO COc1cc(C[N@@H+](C)[C@H](C)Cc2ccc(O)cc2)c([N+](=O)[O-])cc1OC ZINC000093324733 494870493 /nfs/dbraw/zinc/87/04/93/494870493.db2.gz XUJMSGMMQZVYED-CYBMUJFWSA-N 1 1 360.410 3.381 20 5 FGBDMO Cn1cc[nH+]c1CC1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000121957547 494898570 /nfs/dbraw/zinc/89/85/70/494898570.db2.gz VPFCWVULDIWQGE-UHFFFAOYSA-N 1 1 362.817 3.077 20 5 FGBDMO CC[N@@H+]1CC[C@H](N(C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000093638648 494905089 /nfs/dbraw/zinc/90/50/89/494905089.db2.gz QIFVMJQFLGRGLD-BEFAXECRSA-N 1 1 371.485 3.157 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000093638648 494905093 /nfs/dbraw/zinc/90/50/93/494905093.db2.gz QIFVMJQFLGRGLD-BEFAXECRSA-N 1 1 371.485 3.157 20 5 FGBDMO CCN1CC[C@H]([N@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000093638648 494905098 /nfs/dbraw/zinc/90/50/98/494905098.db2.gz QIFVMJQFLGRGLD-BEFAXECRSA-N 1 1 371.485 3.157 20 5 FGBDMO CCN1CC[C@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000093638648 494905101 /nfs/dbraw/zinc/90/51/01/494905101.db2.gz QIFVMJQFLGRGLD-BEFAXECRSA-N 1 1 371.485 3.157 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C1CCN(C(C)C)CC1 ZINC000109893315 494930414 /nfs/dbraw/zinc/93/04/14/494930414.db2.gz XORRLSWLQMDYBA-UHFFFAOYSA-N 1 1 362.474 3.036 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C1CCN(C(C)C)CC1 ZINC000109893315 494930417 /nfs/dbraw/zinc/93/04/17/494930417.db2.gz XORRLSWLQMDYBA-UHFFFAOYSA-N 1 1 362.474 3.036 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000110874425 495016120 /nfs/dbraw/zinc/01/61/20/495016120.db2.gz NMJLKWBIWQTFMH-MRXNPFEDSA-N 1 1 354.410 3.028 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000110874425 495016121 /nfs/dbraw/zinc/01/61/21/495016121.db2.gz NMJLKWBIWQTFMH-MRXNPFEDSA-N 1 1 354.410 3.028 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000133466651 495017549 /nfs/dbraw/zinc/01/75/49/495017549.db2.gz GTYPUOLPZQOFFS-BETUJISGSA-N 1 1 351.422 3.220 20 5 FGBDMO CC[N@@H+]1CCc2nc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)sc2C1 ZINC000127999717 495029193 /nfs/dbraw/zinc/02/91/93/495029193.db2.gz CSIOHBTWVKROLX-UHFFFAOYSA-N 1 1 366.830 3.335 20 5 FGBDMO CC[N@H+]1CCc2nc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)sc2C1 ZINC000127999717 495029195 /nfs/dbraw/zinc/02/91/95/495029195.db2.gz CSIOHBTWVKROLX-UHFFFAOYSA-N 1 1 366.830 3.335 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]CCc2nc[nH]n2)cc1 ZINC000119077888 495087118 /nfs/dbraw/zinc/08/71/18/495087118.db2.gz GMXSXHFBQMUGMY-UHFFFAOYSA-N 1 1 373.800 3.491 20 5 FGBDMO COC(=O)C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CCCC1 ZINC000134039454 495097084 /nfs/dbraw/zinc/09/70/84/495097084.db2.gz AURMVZGLBNSFOZ-UHFFFAOYSA-N 1 1 373.409 3.210 20 5 FGBDMO COC(=O)C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CCCC1 ZINC000134039454 495097088 /nfs/dbraw/zinc/09/70/88/495097088.db2.gz AURMVZGLBNSFOZ-UHFFFAOYSA-N 1 1 373.409 3.210 20 5 FGBDMO Cc1c(CC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000123212425 495097655 /nfs/dbraw/zinc/09/76/55/495097655.db2.gz PGEGFKFZEKJIGY-IBGZPJMESA-N 1 1 367.449 3.227 20 5 FGBDMO C[C@H]1C[C@@H](N(C)C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000123360877 495120360 /nfs/dbraw/zinc/12/03/60/495120360.db2.gz BOSKJCPGSNWIOW-COWJPUMTSA-N 1 1 351.834 3.203 20 5 FGBDMO CC[C@H](Cc1ccccc1)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000128633783 495126889 /nfs/dbraw/zinc/12/68/89/495126889.db2.gz OJCNTENLUNFPFB-MRXNPFEDSA-N 1 1 371.437 3.495 20 5 FGBDMO O=[N+]([O-])c1ccc(CSC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000128864079 495161414 /nfs/dbraw/zinc/16/14/14/495161414.db2.gz AQMJACLIFBVUCL-IBGZPJMESA-N 1 1 358.463 3.247 20 5 FGBDMO C[C@@H]1C[C@@H]([N@@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCN1C ZINC000123922560 495207420 /nfs/dbraw/zinc/20/74/20/495207420.db2.gz SALLDUSPIHDWCV-ZBFHGGJFSA-N 1 1 358.442 3.207 20 5 FGBDMO C[C@@H]1C[C@@H](N(C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[N@@H+]1C ZINC000123922560 495207424 /nfs/dbraw/zinc/20/74/24/495207424.db2.gz SALLDUSPIHDWCV-ZBFHGGJFSA-N 1 1 358.442 3.207 20 5 FGBDMO C[C@@H]1C[C@@H](N(C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[N@H+]1C ZINC000123922560 495207429 /nfs/dbraw/zinc/20/74/29/495207429.db2.gz SALLDUSPIHDWCV-ZBFHGGJFSA-N 1 1 358.442 3.207 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000134880501 495214348 /nfs/dbraw/zinc/21/43/48/495214348.db2.gz PWFYVVNXCWTZJI-DOTOQJQBSA-N 1 1 353.422 3.296 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@@H](OCC(C)C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000119701065 495221724 /nfs/dbraw/zinc/22/17/24/495221724.db2.gz ILVGUINEPJRISM-CYBMUJFWSA-N 1 1 374.384 3.452 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@H](OCC(C)C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000119701065 495221726 /nfs/dbraw/zinc/22/17/26/495221726.db2.gz ILVGUINEPJRISM-CYBMUJFWSA-N 1 1 374.384 3.452 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000124086347 495232331 /nfs/dbraw/zinc/23/23/31/495232331.db2.gz HLJBOWZZBPIQME-INIZCTEOSA-N 1 1 369.421 3.107 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000124086347 495232334 /nfs/dbraw/zinc/23/23/34/495232334.db2.gz HLJBOWZZBPIQME-INIZCTEOSA-N 1 1 369.421 3.107 20 5 FGBDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000112918559 495257155 /nfs/dbraw/zinc/25/71/55/495257155.db2.gz MFTMGGAGHBCQSR-UHFFFAOYSA-N 1 1 363.458 3.188 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](Cc1cccc(O)c1)CC1CC1 ZINC000112978291 495263185 /nfs/dbraw/zinc/26/31/85/495263185.db2.gz QWKUDUYXCHDQDR-UHFFFAOYSA-N 1 1 369.421 3.460 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](Cc1cccc(O)c1)CC1CC1 ZINC000112978291 495263191 /nfs/dbraw/zinc/26/31/91/495263191.db2.gz QWKUDUYXCHDQDR-UHFFFAOYSA-N 1 1 369.421 3.460 20 5 FGBDMO C[N@@H+](CCC1CC1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000135286661 495272935 /nfs/dbraw/zinc/27/29/35/495272935.db2.gz SUIIQDTWRZRXAT-UHFFFAOYSA-N 1 1 356.220 3.028 20 5 FGBDMO COc1ccccc1CC[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000104711160 495299534 /nfs/dbraw/zinc/29/95/34/495299534.db2.gz JQINHKBFJZFPCT-UHFFFAOYSA-N 1 1 357.410 3.107 20 5 FGBDMO CC[N@@H+]1CCc2nc(NC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)sc2C1 ZINC000129967223 495321787 /nfs/dbraw/zinc/32/17/87/495321787.db2.gz KABKKTLIJIIWOC-UHFFFAOYSA-N 1 1 371.422 3.163 20 5 FGBDMO CC[N@H+]1CCc2nc(NC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)sc2C1 ZINC000129967223 495321792 /nfs/dbraw/zinc/32/17/92/495321792.db2.gz KABKKTLIJIIWOC-UHFFFAOYSA-N 1 1 371.422 3.163 20 5 FGBDMO COc1ccc(-c2ccc(C[N@@H+](CC(N)=O)C3CCCC3)o2)c([N+](=O)[O-])c1 ZINC000130088943 495339473 /nfs/dbraw/zinc/33/94/73/495339473.db2.gz CEGPCRVDQUSOBX-UHFFFAOYSA-N 1 1 373.409 3.093 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CC[C@@](O)(C(F)(F)F)C3)o2)c1 ZINC000130167320 495352104 /nfs/dbraw/zinc/35/21/04/495352104.db2.gz FHMJIOWVEWBTLX-HNNXBMFYSA-N 1 1 356.300 3.354 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@@](O)(C(F)(F)F)C3)o2)c1 ZINC000130167320 495352106 /nfs/dbraw/zinc/35/21/06/495352106.db2.gz FHMJIOWVEWBTLX-HNNXBMFYSA-N 1 1 356.300 3.354 20 5 FGBDMO COC(=O)c1ccccc1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000130721426 495435175 /nfs/dbraw/zinc/43/51/75/495435175.db2.gz NPGQSSPJEWGGBL-UHFFFAOYSA-N 1 1 370.405 3.425 20 5 FGBDMO C[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000125401514 495439555 /nfs/dbraw/zinc/43/95/55/495439555.db2.gz MWIUVJVGBFWNBB-GFCCVEGCSA-N 1 1 351.834 3.337 20 5 FGBDMO C[C@@H](C1CC1)[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000577717772 505782343 /nfs/dbraw/zinc/78/23/43/505782343.db2.gz MTBRDKIRPHEUET-VIFPVBQESA-N 1 1 360.195 3.430 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+](C)[C@@H](C)C[S@@](C)=O)o2)c([N+](=O)[O-])c1 ZINC000130861757 495457978 /nfs/dbraw/zinc/45/79/78/495457978.db2.gz UZJOOIAEWXGEBT-VDBVYFBLSA-N 1 1 366.439 3.062 20 5 FGBDMO COc1ccc(-c2ccc(C[N@@H+](C)[C@@H](C)C[S@@](C)=O)o2)c([N+](=O)[O-])c1 ZINC000130861757 495457981 /nfs/dbraw/zinc/45/79/81/495457981.db2.gz UZJOOIAEWXGEBT-VDBVYFBLSA-N 1 1 366.439 3.062 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H](C)Cc1ccc(O)cc1 ZINC000138395774 495461368 /nfs/dbraw/zinc/46/13/68/495461368.db2.gz NBTQBIPWSWXNPL-CQSZACIVSA-N 1 1 357.410 3.110 20 5 FGBDMO O=C(Nc1ccccc1C[NH+]1CCSCC1)c1ccccc1[N+](=O)[O-] ZINC000138572770 495464596 /nfs/dbraw/zinc/46/45/96/495464596.db2.gz RCSDRVBUMRPBIX-UHFFFAOYSA-N 1 1 357.435 3.396 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000120855322 495471744 /nfs/dbraw/zinc/47/17/44/495471744.db2.gz PPVVJZDNENDBFN-CQSZACIVSA-N 1 1 356.426 3.137 20 5 FGBDMO C[N@@H+]1CCC[C@@H]2CN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC[C@@H]21 ZINC000139837792 495484442 /nfs/dbraw/zinc/48/44/42/495484442.db2.gz DVULARUEPARHST-AEFFLSMTSA-N 1 1 370.453 3.208 20 5 FGBDMO C[N@H+]1CCC[C@@H]2CN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC[C@@H]21 ZINC000139837792 495484445 /nfs/dbraw/zinc/48/44/45/495484445.db2.gz DVULARUEPARHST-AEFFLSMTSA-N 1 1 370.453 3.208 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000185407233 495566523 /nfs/dbraw/zinc/56/65/23/495566523.db2.gz HWOIESFVSHQBDX-WDYCEAGBSA-N 1 1 361.486 3.352 20 5 FGBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000154413366 495609143 /nfs/dbraw/zinc/60/91/43/495609143.db2.gz CPLAQJSERKOMKT-QGZVFWFLSA-N 1 1 374.485 3.247 20 5 FGBDMO COc1ccc(OCC[N@H+]2CCC[C@@H](c3nccs3)C2)c([N+](=O)[O-])c1 ZINC000173603237 495610156 /nfs/dbraw/zinc/61/01/56/495610156.db2.gz QIOKAJIZGYEUTC-CYBMUJFWSA-N 1 1 363.439 3.318 20 5 FGBDMO COc1cccc(NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1[N+](=O)[O-] ZINC000185529953 495610754 /nfs/dbraw/zinc/61/07/54/495610754.db2.gz UWJHPPAWPVCTPC-UHFFFAOYSA-N 1 1 357.414 3.091 20 5 FGBDMO Cc1[nH+]ccn1CCCCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000173757045 495679899 /nfs/dbraw/zinc/67/98/99/495679899.db2.gz GBYKUWIYLKBVOU-UHFFFAOYSA-N 1 1 370.331 3.329 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCOCc1ccccc1 ZINC000154653689 495685878 /nfs/dbraw/zinc/68/58/78/495685878.db2.gz FALWLIGXHKMROJ-UHFFFAOYSA-N 1 1 371.437 3.380 20 5 FGBDMO C[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182907181 495751760 /nfs/dbraw/zinc/75/17/60/495751760.db2.gz RRTBECHWAYYEKU-ZIAGYGMSSA-N 1 1 370.453 3.459 20 5 FGBDMO C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000186018244 495822092 /nfs/dbraw/zinc/82/20/92/495822092.db2.gz SVXIKYGZLHJBMU-CYBMUJFWSA-N 1 1 373.840 3.311 20 5 FGBDMO C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCc2ccccc2C1 ZINC000186018244 495822097 /nfs/dbraw/zinc/82/20/97/495822097.db2.gz SVXIKYGZLHJBMU-CYBMUJFWSA-N 1 1 373.840 3.311 20 5 FGBDMO CCOc1cccc(NCc2cccc(C[NH+]3CCOCC3)c2)c1[N+](=O)[O-] ZINC000183144869 495853316 /nfs/dbraw/zinc/85/33/16/495853316.db2.gz IBLYCAGQENSZEO-UHFFFAOYSA-N 1 1 371.437 3.438 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000180128831 495870267 /nfs/dbraw/zinc/87/02/67/495870267.db2.gz XNABIERZAJDODG-WBVHZDCISA-N 1 1 359.813 3.423 20 5 FGBDMO CC[C@H](NC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000183213955 495882913 /nfs/dbraw/zinc/88/29/13/495882913.db2.gz WYIBXDHQKNWMBK-NJAFHUGGSA-N 1 1 360.458 3.172 20 5 FGBDMO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000177072071 495912495 /nfs/dbraw/zinc/91/24/95/495912495.db2.gz NUIBLZCOGDBJBU-ZDUSSCGKSA-N 1 1 374.441 3.110 20 5 FGBDMO CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000177072071 495912501 /nfs/dbraw/zinc/91/25/01/495912501.db2.gz NUIBLZCOGDBJBU-ZDUSSCGKSA-N 1 1 374.441 3.110 20 5 FGBDMO C[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)Cc1ccc(F)cc1 ZINC000177076805 495913641 /nfs/dbraw/zinc/91/36/41/495913641.db2.gz UGPHMCLVBFQMCE-UHFFFAOYSA-N 1 1 365.792 3.249 20 5 FGBDMO COCCN1CCC([NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000180242532 495922441 /nfs/dbraw/zinc/92/24/41/495922441.db2.gz MSWMRDHDPDEERX-OAQYLSRUSA-N 1 1 369.465 3.385 20 5 FGBDMO CCN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186320294 495945475 /nfs/dbraw/zinc/94/54/75/495945475.db2.gz OKAPKGOEWYVRAG-LJQANCHMSA-N 1 1 367.449 3.260 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCOC4(CCOCC4)C3)o2)cc1 ZINC000180526378 496032335 /nfs/dbraw/zinc/03/23/35/496032335.db2.gz BVTYGWOWJDIHKR-UHFFFAOYSA-N 1 1 358.394 3.236 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCOC4(CCOCC4)C3)o2)cc1 ZINC000180526378 496032339 /nfs/dbraw/zinc/03/23/39/496032339.db2.gz BVTYGWOWJDIHKR-UHFFFAOYSA-N 1 1 358.394 3.236 20 5 FGBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000180647964 496085972 /nfs/dbraw/zinc/08/59/72/496085972.db2.gz VJSQRFPKQDAUND-ZDUSSCGKSA-N 1 1 372.372 3.000 20 5 FGBDMO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000177536956 496101944 /nfs/dbraw/zinc/10/19/44/496101944.db2.gz UCAXUPXPCCBMHF-KXBFYZLASA-N 1 1 353.422 3.436 20 5 FGBDMO CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152336550 496121060 /nfs/dbraw/zinc/12/10/60/496121060.db2.gz ALENCDRBJRFRSM-OAHLLOKOSA-N 1 1 358.442 3.066 20 5 FGBDMO CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152336550 496121064 /nfs/dbraw/zinc/12/10/64/496121064.db2.gz ALENCDRBJRFRSM-OAHLLOKOSA-N 1 1 358.442 3.066 20 5 FGBDMO CN1CCC[C@@H](C[N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000152336550 496121068 /nfs/dbraw/zinc/12/10/68/496121068.db2.gz ALENCDRBJRFRSM-OAHLLOKOSA-N 1 1 358.442 3.066 20 5 FGBDMO CN1CCC[C@@H](C[N@@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000152336550 496121071 /nfs/dbraw/zinc/12/10/71/496121071.db2.gz ALENCDRBJRFRSM-OAHLLOKOSA-N 1 1 358.442 3.066 20 5 FGBDMO C[C@@H](C[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1nccs1 ZINC000184013517 496202567 /nfs/dbraw/zinc/20/25/67/496202567.db2.gz PUCITWUJCPSGSA-JTQLQIEISA-N 1 1 368.846 3.379 20 5 FGBDMO C[C@@H](C[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1nccs1 ZINC000184013517 496202569 /nfs/dbraw/zinc/20/25/69/496202569.db2.gz PUCITWUJCPSGSA-JTQLQIEISA-N 1 1 368.846 3.379 20 5 FGBDMO O=C(NCc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000172199338 496206307 /nfs/dbraw/zinc/20/63/07/496206307.db2.gz TXTHCNKRSQQBOT-GOSISDBHSA-N 1 1 368.437 3.059 20 5 FGBDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000175067663 496234514 /nfs/dbraw/zinc/23/45/14/496234514.db2.gz JIALSQGBCGOIAN-UONOGXRCSA-N 1 1 351.834 3.336 20 5 FGBDMO O=C(C1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1)N1CCCCC1 ZINC000152786910 496256786 /nfs/dbraw/zinc/25/67/86/496256786.db2.gz LVZSQWHIVPKBPE-UHFFFAOYSA-N 1 1 365.861 3.473 20 5 FGBDMO C[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1c1cccc(F)c1 ZINC000175153275 496268500 /nfs/dbraw/zinc/26/85/00/496268500.db2.gz WQJFUOCCBYVTNN-XIKOKIGWSA-N 1 1 357.385 3.416 20 5 FGBDMO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000175399508 496373676 /nfs/dbraw/zinc/37/36/76/496373676.db2.gz REFBOTNRULREKA-PWECECGKSA-N 1 1 362.451 3.404 20 5 FGBDMO O=C(CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)NCc1ccccc1Cl ZINC000153391280 496440583 /nfs/dbraw/zinc/44/05/83/496440583.db2.gz XXJRBLUZIGNVBR-UHFFFAOYSA-N 1 1 373.840 3.313 20 5 FGBDMO C[C@H](NC(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000175649680 496484591 /nfs/dbraw/zinc/48/45/91/496484591.db2.gz MOJSUIOSGKCBLE-AWEZNQCLSA-N 1 1 374.416 3.226 20 5 FGBDMO C[C@H](NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181648294 496486229 /nfs/dbraw/zinc/48/62/29/496486229.db2.gz BLGASLQXCMDNGE-NWDGAFQWSA-N 1 1 367.396 3.256 20 5 FGBDMO C[C@H](c1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1)[NH+]1CCOCC1 ZINC000172983953 496509693 /nfs/dbraw/zinc/50/96/93/496509693.db2.gz SKKMSNRFOBSVMD-OAHLLOKOSA-N 1 1 369.421 3.169 20 5 FGBDMO CC[C@@H](C)[C@H](C)[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000181787116 496543907 /nfs/dbraw/zinc/54/39/07/496543907.db2.gz HXTJKQUGGACDRZ-KGLIPLIRSA-N 1 1 354.472 3.268 20 5 FGBDMO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000153718098 496556491 /nfs/dbraw/zinc/55/64/91/496556491.db2.gz VJDYAGIEKXIGGG-IGHXGINGSA-N 1 1 355.438 3.083 20 5 FGBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCCC[C@H]2C[C@H](O)c2cccs2)n1 ZINC000175864755 496578438 /nfs/dbraw/zinc/57/84/38/496578438.db2.gz OSMZOAGEQYJQPV-GJZGRUSLSA-N 1 1 364.471 3.221 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000181897315 496590425 /nfs/dbraw/zinc/59/04/25/496590425.db2.gz KBMGTXYLVKIGHP-AEFFLSMTSA-N 1 1 374.412 3.038 20 5 FGBDMO CCO[C@H]1C[C@H]([N@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C12CCC2 ZINC000154001639 496650817 /nfs/dbraw/zinc/65/08/17/496650817.db2.gz PTKKICXXYLROPO-HOTGVXAUSA-N 1 1 361.442 3.121 20 5 FGBDMO CCO[C@H]1C[C@H]([N@@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C12CCC2 ZINC000154001639 496650820 /nfs/dbraw/zinc/65/08/20/496650820.db2.gz PTKKICXXYLROPO-HOTGVXAUSA-N 1 1 361.442 3.121 20 5 FGBDMO CN(C)c1noc([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)n1 ZINC000194927855 496763626 /nfs/dbraw/zinc/76/36/26/496763626.db2.gz HOZOTNDLRNRTBG-LBPRGKRZSA-N 1 1 365.821 3.077 20 5 FGBDMO CN(C)c1noc([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)n1 ZINC000194927855 496763630 /nfs/dbraw/zinc/76/36/30/496763630.db2.gz HOZOTNDLRNRTBG-LBPRGKRZSA-N 1 1 365.821 3.077 20 5 FGBDMO C[C@H](c1ccccc1)[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC1CCC1 ZINC000247465882 496864663 /nfs/dbraw/zinc/86/46/63/496864663.db2.gz IUZFDIDRACLBJA-DNVCBOLYSA-N 1 1 358.442 3.016 20 5 FGBDMO CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc3c2C[N@@H+](CC(C)C)C3)n1 ZINC000191862838 496912937 /nfs/dbraw/zinc/91/29/37/496912937.db2.gz XMEGPCSFHAMKSY-UHFFFAOYSA-N 1 1 357.414 3.035 20 5 FGBDMO CC(C)CO[C@@H]1CC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000247774684 496913710 /nfs/dbraw/zinc/91/37/10/496913710.db2.gz WQCQPLYIUATEJR-CZUORRHYSA-N 1 1 360.414 3.453 20 5 FGBDMO CC(C)CO[C@@H]1CC[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000247774684 496913715 /nfs/dbraw/zinc/91/37/15/496913715.db2.gz WQCQPLYIUATEJR-CZUORRHYSA-N 1 1 360.414 3.453 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccccc1 ZINC000247915474 496926390 /nfs/dbraw/zinc/92/63/90/496926390.db2.gz AXBPXOSGNQNRCC-IEBWSBKVSA-N 1 1 373.840 3.352 20 5 FGBDMO Cc1c(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000248073206 496951552 /nfs/dbraw/zinc/95/15/52/496951552.db2.gz QUGZIBKUDKTYNR-AEFFLSMTSA-N 1 1 354.410 3.470 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000248136138 496959908 /nfs/dbraw/zinc/95/99/08/496959908.db2.gz XNABIERZAJDODG-DOTOQJQBSA-N 1 1 359.813 3.423 20 5 FGBDMO COCCOCC[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000572048206 505877307 /nfs/dbraw/zinc/87/73/07/505877307.db2.gz GCJQKNVVOUHMIN-UHFFFAOYSA-N 1 1 350.440 3.418 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000248375504 496987559 /nfs/dbraw/zinc/98/75/59/496987559.db2.gz WXPWVQRBECMUAO-QZTJIDSGSA-N 1 1 356.422 3.042 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000248612724 497057096 /nfs/dbraw/zinc/05/70/96/497057096.db2.gz XZGXVWDJJXKYRE-DCGLDWPTSA-N 1 1 351.422 3.026 20 5 FGBDMO Cc1nc(C[NH+]2CCC(CNc3nccc(C)c3[N+](=O)[O-])CC2)oc1C ZINC000265240083 497079060 /nfs/dbraw/zinc/07/90/60/497079060.db2.gz OOAOMZWUPXFMHZ-UHFFFAOYSA-N 1 1 359.430 3.227 20 5 FGBDMO C[N@H+]1CCC[C@@H]2CN(c3ccc(Br)cc3[N+](=O)[O-])CC[C@H]21 ZINC000227347231 497089676 /nfs/dbraw/zinc/08/96/76/497089676.db2.gz UXSKQEFRDFNETN-DGCLKSJQSA-N 1 1 354.248 3.278 20 5 FGBDMO O=C(c1ccc(F)cc1)C1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000192464540 497123579 /nfs/dbraw/zinc/12/35/79/497123579.db2.gz PLGDFRALIHNGLC-LJQANCHMSA-N 1 1 372.396 3.362 20 5 FGBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)C[C@H]2C1 ZINC000192476435 497127462 /nfs/dbraw/zinc/12/74/62/497127462.db2.gz WGAJZEBQNPFEMN-GASCZTMLSA-N 1 1 367.405 3.021 20 5 FGBDMO CN1C(=O)CCc2cc(C[NH2+]Cc3cc([N+](=O)[O-])ccc3Cl)ccc21 ZINC000274843970 497180432 /nfs/dbraw/zinc/18/04/32/497180432.db2.gz WSWWWRVFIFWTKN-UHFFFAOYSA-N 1 1 359.813 3.447 20 5 FGBDMO Cc1nc(C[NH+]2CCC(CNc3cc(N)ccc3[N+](=O)[O-])CC2)oc1C ZINC000192793394 497215704 /nfs/dbraw/zinc/21/57/04/497215704.db2.gz KPLFMQZGJPCVAK-UHFFFAOYSA-N 1 1 359.430 3.106 20 5 FGBDMO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000278830704 497235462 /nfs/dbraw/zinc/23/54/62/497235462.db2.gz DCLPFDCOXISRRV-GZMMTYOYSA-N 1 1 361.345 3.454 20 5 FGBDMO Cc1cc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000189765232 497237552 /nfs/dbraw/zinc/23/75/52/497237552.db2.gz GXJPLEWNLCGMRI-FUHWJXTLSA-N 1 1 354.410 3.470 20 5 FGBDMO O=C(CC[N@H+]1CC[C@@H](CC(F)(F)F)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000278908863 497263799 /nfs/dbraw/zinc/26/37/99/497263799.db2.gz VUBYKABENWYZCK-JTQLQIEISA-N 1 1 363.311 3.337 20 5 FGBDMO CCOCCC[N@H+]1CC[C@@H](NCc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000189995758 497319134 /nfs/dbraw/zinc/31/91/34/497319134.db2.gz ZHBUADPLTLZGNM-RHSMWYFYSA-N 1 1 369.893 3.475 20 5 FGBDMO Cc1cnc(N2CCC3(C[C@H]3[N@H+](C)Cc3nccs3)CC2)c([N+](=O)[O-])c1 ZINC000275541496 497359134 /nfs/dbraw/zinc/35/91/34/497359134.db2.gz FLKKMLDWDIISLJ-OAHLLOKOSA-N 1 1 373.482 3.246 20 5 FGBDMO Cc1cnc(N2CCC3(C[C@H]3[N@@H+](C)Cc3nccs3)CC2)c([N+](=O)[O-])c1 ZINC000275541496 497359140 /nfs/dbraw/zinc/35/91/40/497359140.db2.gz FLKKMLDWDIISLJ-OAHLLOKOSA-N 1 1 373.482 3.246 20 5 FGBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275623144 497385697 /nfs/dbraw/zinc/38/56/97/497385697.db2.gz IPYKRHHFYSSRAU-ZUOKHONESA-N 1 1 361.445 3.306 20 5 FGBDMO Cc1sc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000193807048 497489081 /nfs/dbraw/zinc/48/90/81/497489081.db2.gz MABDBXJKGYRDHY-HNNXBMFYSA-N 1 1 359.451 3.217 20 5 FGBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000245679165 497498394 /nfs/dbraw/zinc/49/83/94/497498394.db2.gz JDQWBWCLQWESFK-NHYWBVRUSA-N 1 1 352.822 3.196 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1F ZINC000276332887 497547074 /nfs/dbraw/zinc/54/70/74/497547074.db2.gz RGWJOZADDVXCOK-OAHLLOKOSA-N 1 1 373.432 3.431 20 5 FGBDMO C[C@@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272273999 497582920 /nfs/dbraw/zinc/58/29/20/497582920.db2.gz LUOUAEQVXVJMKR-GDBMZVCRSA-N 1 1 371.412 3.374 20 5 FGBDMO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272342361 497602764 /nfs/dbraw/zinc/60/27/64/497602764.db2.gz YZAYDHUBCWGVJI-LPHOPBHVSA-N 1 1 367.449 3.164 20 5 FGBDMO CCOCCC1(C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272502767 497645415 /nfs/dbraw/zinc/64/54/15/497645415.db2.gz HKIRFXFGUUVLBI-QGZVFWFLSA-N 1 1 358.442 3.214 20 5 FGBDMO C[C@H](Cc1ccc(O)cc1)[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272530128 497652603 /nfs/dbraw/zinc/65/26/03/497652603.db2.gz MUAYERVPAVNRFP-KUHUBIRLSA-N 1 1 366.421 3.344 20 5 FGBDMO CC(C)[C@@H]1C[C@H]([NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000272540141 497655489 /nfs/dbraw/zinc/65/54/89/497655489.db2.gz OWKJFPKXHPFSSW-NJAFHUGGSA-N 1 1 358.442 3.211 20 5 FGBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000268114343 497681152 /nfs/dbraw/zinc/68/11/52/497681152.db2.gz JVICTXGWFXOTRE-PXAZEXFGSA-N 1 1 358.467 3.291 20 5 FGBDMO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000268114343 497681158 /nfs/dbraw/zinc/68/11/58/497681158.db2.gz JVICTXGWFXOTRE-PXAZEXFGSA-N 1 1 358.467 3.291 20 5 FGBDMO C[N@H+]1CC[C@@H]2CCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)[C@H]2C1 ZINC000272677369 497698938 /nfs/dbraw/zinc/69/89/38/497698938.db2.gz UVWYBUXINWQCEM-DYVFJYSZSA-N 1 1 358.467 3.244 20 5 FGBDMO CC(C)C[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000268227822 497706005 /nfs/dbraw/zinc/70/60/05/497706005.db2.gz LDSPTUQVEGHFBE-INIZCTEOSA-N 1 1 374.485 3.221 20 5 FGBDMO C[N@H+]1CCC[C@H]2CN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@H]21 ZINC000246490777 497752545 /nfs/dbraw/zinc/75/25/45/497752545.db2.gz PEMFSUWQXAVMLV-SWLSCSKDSA-N 1 1 355.385 3.112 20 5 FGBDMO C[N@H+]1CCC[C@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000246514490 497759822 /nfs/dbraw/zinc/75/98/22/497759822.db2.gz BLYIDARKSCDXMZ-DYVFJYSZSA-N 1 1 374.466 3.051 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000246757265 497808377 /nfs/dbraw/zinc/80/83/77/497808377.db2.gz XWAIQNDDGSYOSQ-CVEARBPZSA-N 1 1 362.474 3.323 20 5 FGBDMO CCS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000280616827 497828132 /nfs/dbraw/zinc/82/81/32/497828132.db2.gz PDRUTDUIUPPGOJ-UHFFFAOYSA-N 1 1 354.453 3.048 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292058956 497859218 /nfs/dbraw/zinc/85/92/18/497859218.db2.gz CIUZRGCKLRFJGQ-UHFFFAOYSA-N 1 1 372.381 3.275 20 5 FGBDMO CC[C@H](NC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000364272237 497873216 /nfs/dbraw/zinc/87/32/16/497873216.db2.gz JUVMCRVDBCQXFJ-WNHJNPCNSA-N 1 1 372.469 3.172 20 5 FGBDMO CC1(C)OCc2cc(C[N@H+]3CCC[C@@H](n4cc([N+](=O)[O-])cn4)C3)ccc2O1 ZINC000364337371 497907098 /nfs/dbraw/zinc/90/70/98/497907098.db2.gz MUQBWZHLLNBWLU-MRXNPFEDSA-N 1 1 372.425 3.274 20 5 FGBDMO C[C@]12CC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C[C@H]1C2(Cl)Cl ZINC000284827642 497913648 /nfs/dbraw/zinc/91/36/48/497913648.db2.gz QERZOQAGZRBQIY-HIFRSBDPSA-N 1 1 373.236 3.477 20 5 FGBDMO CC(C)([NH2+]CC(=O)Nc1ccnn1C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000292253274 497940467 /nfs/dbraw/zinc/94/04/67/497940467.db2.gz XZEOXWLNQNTDED-UHFFFAOYSA-N 1 1 371.441 3.370 20 5 FGBDMO Cc1cc([N+](=O)[O-])cnc1NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000301161428 497977716 /nfs/dbraw/zinc/97/77/16/497977716.db2.gz AOZHEPOXHJOTHP-LJQANCHMSA-N 1 1 369.469 3.089 20 5 FGBDMO Cc1cc([N+](=O)[O-])cnc1NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000301161428 497977722 /nfs/dbraw/zinc/97/77/22/497977722.db2.gz AOZHEPOXHJOTHP-LJQANCHMSA-N 1 1 369.469 3.089 20 5 FGBDMO Cc1cc([N+](=O)[O-])cnc1NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000301161428 497977730 /nfs/dbraw/zinc/97/77/30/497977730.db2.gz AOZHEPOXHJOTHP-LJQANCHMSA-N 1 1 369.469 3.089 20 5 FGBDMO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+][C@H](C)c3ccc(N)c([N+](=O)[O-])c3)n2)c1 ZINC000285076171 497987845 /nfs/dbraw/zinc/98/78/45/497987845.db2.gz JKIXYYITYYEJKT-VXGBXAGGSA-N 1 1 367.413 3.077 20 5 FGBDMO CC[C@H]1C[N@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CCCO1 ZINC000281127947 498028533 /nfs/dbraw/zinc/02/85/33/498028533.db2.gz CQQLKHGGPHLDEI-LBPRGKRZSA-N 1 1 360.357 3.206 20 5 FGBDMO CC[C@H]1C[N@@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CCCO1 ZINC000281127947 498028536 /nfs/dbraw/zinc/02/85/36/498028536.db2.gz CQQLKHGGPHLDEI-LBPRGKRZSA-N 1 1 360.357 3.206 20 5 FGBDMO C[C@@H](c1cccnc1)[NH+]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000301271985 498032131 /nfs/dbraw/zinc/03/21/31/498032131.db2.gz HUSOWLLFQZNOGH-HNNXBMFYSA-N 1 1 363.421 3.421 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1ncc([N+](=O)[O-])cc1Cl ZINC000301285538 498037698 /nfs/dbraw/zinc/03/76/98/498037698.db2.gz QMLDIBJZGPCWNY-MLGOLLRUSA-N 1 1 361.833 3.361 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000301329076 498057853 /nfs/dbraw/zinc/05/78/53/498057853.db2.gz CTZZFJCEWYZZCA-CQSZACIVSA-N 1 1 371.466 3.405 20 5 FGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000289313712 498100540 /nfs/dbraw/zinc/10/05/40/498100540.db2.gz JLPOEXZHNOXONB-HOCLYGCPSA-N 1 1 354.410 3.196 20 5 FGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000289313712 498100547 /nfs/dbraw/zinc/10/05/47/498100547.db2.gz JLPOEXZHNOXONB-HOCLYGCPSA-N 1 1 354.410 3.196 20 5 FGBDMO Cc1cc(NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)ncc1[N+](=O)[O-] ZINC000301417125 498101274 /nfs/dbraw/zinc/10/12/74/498101274.db2.gz CHJDENSLAWBEPP-IBGZPJMESA-N 1 1 369.469 3.089 20 5 FGBDMO Cc1cc(NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)ncc1[N+](=O)[O-] ZINC000301417125 498101276 /nfs/dbraw/zinc/10/12/76/498101276.db2.gz CHJDENSLAWBEPP-IBGZPJMESA-N 1 1 369.469 3.089 20 5 FGBDMO Cc1cc(NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)ncc1[N+](=O)[O-] ZINC000301417125 498101279 /nfs/dbraw/zinc/10/12/79/498101279.db2.gz CHJDENSLAWBEPP-IBGZPJMESA-N 1 1 369.469 3.089 20 5 FGBDMO Cc1c(NC(=O)CC[N@@H+]2CCCC[C@@H]2c2ccnn2C)cccc1[N+](=O)[O-] ZINC000281371734 498124896 /nfs/dbraw/zinc/12/48/96/498124896.db2.gz LRYAGSIFIQVJLD-GOSISDBHSA-N 1 1 371.441 3.193 20 5 FGBDMO CCOc1cc(NCc2ccc(-n3cc[nH+]c3C)nc2)ccc1[N+](=O)[O-] ZINC000301514138 498142848 /nfs/dbraw/zinc/14/28/48/498142848.db2.gz JGSYWDVYQUFQLY-UHFFFAOYSA-N 1 1 353.382 3.495 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000572517392 505988369 /nfs/dbraw/zinc/98/83/69/505988369.db2.gz QAIXQWRLZOQNST-QAPCUYQASA-N 1 1 361.442 3.123 20 5 FGBDMO Cc1n[nH]c([C@@H]2CCCN(Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)n1 ZINC000292869023 498176742 /nfs/dbraw/zinc/17/67/42/498176742.db2.gz SEBVEBRTWDCDDH-LLVKDONJSA-N 1 1 369.347 3.420 20 5 FGBDMO Cc1cc([N+](=O)[O-])cnc1N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000301595443 498179366 /nfs/dbraw/zinc/17/93/66/498179366.db2.gz ZAFSANTXIBUWCZ-IYBDPMFKSA-N 1 1 362.474 3.014 20 5 FGBDMO C[C@H]1C[C@H](Nc2nc3sccn3c2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000301623926 498193066 /nfs/dbraw/zinc/19/30/66/498193066.db2.gz OWZSXWXIGCTGCQ-JSGCOSHPSA-N 1 1 357.439 3.379 20 5 FGBDMO CC[C@@H](Nc1ncccc1[N+](=O)[O-])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000301667384 498213572 /nfs/dbraw/zinc/21/35/72/498213572.db2.gz OYZLAYWBOBZDHA-SJLPKXTDSA-N 1 1 356.426 3.081 20 5 FGBDMO CC[C@@H](Nc1ncccc1[N+](=O)[O-])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000301667384 498213577 /nfs/dbraw/zinc/21/35/77/498213577.db2.gz OYZLAYWBOBZDHA-SJLPKXTDSA-N 1 1 356.426 3.081 20 5 FGBDMO Cc1ccnc([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)c1 ZINC000581496918 506001418 /nfs/dbraw/zinc/00/14/18/506001418.db2.gz FSMQLWWCDFZKOI-CABCVRRESA-N 1 1 354.410 3.115 20 5 FGBDMO Cc1ccnc([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)c1 ZINC000581496918 506001421 /nfs/dbraw/zinc/00/14/21/506001421.db2.gz FSMQLWWCDFZKOI-CABCVRRESA-N 1 1 354.410 3.115 20 5 FGBDMO Cc1[nH+]c(CNc2ncc([N+](=O)[O-])cc2Br)c2n1CCCC2 ZINC000360128417 498249258 /nfs/dbraw/zinc/24/92/58/498249258.db2.gz GVEBRBCLCZRFID-UHFFFAOYSA-N 1 1 366.219 3.206 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000301746584 498250178 /nfs/dbraw/zinc/25/01/78/498250178.db2.gz PYQNOMRERWGXRE-IUODEOHRSA-N 1 1 361.833 3.361 20 5 FGBDMO Cc1[nH+]ccn1CCCN(C)c1ccc([N+](=O)[O-])cc1Br ZINC000301805520 498271974 /nfs/dbraw/zinc/27/19/74/498271974.db2.gz YESJTXOMOOHZKM-UHFFFAOYSA-N 1 1 353.220 3.389 20 5 FGBDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000286171290 498313828 /nfs/dbraw/zinc/31/38/28/498313828.db2.gz WUBPGUJWKMHALI-BBRMVZONSA-N 1 1 360.414 3.160 20 5 FGBDMO C[C@H]([C@H](C)Nc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1)[NH+]1CCOCC1 ZINC000301899803 498318774 /nfs/dbraw/zinc/31/87/74/498318774.db2.gz YLMBYEUYSARKSQ-UONOGXRCSA-N 1 1 351.447 3.293 20 5 FGBDMO CC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCOC(C)(C)C1 ZINC000289912674 498349866 /nfs/dbraw/zinc/34/98/66/498349866.db2.gz TVJFEEJYWOVFNT-OAHLLOKOSA-N 1 1 360.414 3.424 20 5 FGBDMO CCN1CC[NH+](Cc2ccc(CNc3sccc3[N+](=O)[O-])cc2)CC1 ZINC000301980436 498354204 /nfs/dbraw/zinc/35/42/04/498354204.db2.gz GJCQSMGEPTXVDU-UHFFFAOYSA-N 1 1 360.483 3.406 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293408649 498373988 /nfs/dbraw/zinc/37/39/88/498373988.db2.gz HZLURUAAVCXZIR-NSHDSACASA-N 1 1 359.348 3.218 20 5 FGBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000286399432 498384845 /nfs/dbraw/zinc/38/48/45/498384845.db2.gz VLMAUBBWTHZWJP-OAQYLSRUSA-N 1 1 365.433 3.333 20 5 FGBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000286399430 498384878 /nfs/dbraw/zinc/38/48/78/498384878.db2.gz VLMAUBBWTHZWJP-NRFANRHFSA-N 1 1 365.433 3.333 20 5 FGBDMO Cc1ccc(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000302051952 498385906 /nfs/dbraw/zinc/38/59/06/498385906.db2.gz OMZKDURDTLKUFQ-SFHVURJKSA-N 1 1 355.438 3.472 20 5 FGBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000302155609 498419819 /nfs/dbraw/zinc/41/98/19/498419819.db2.gz DSWZXSAHPIJCIJ-SFHVURJKSA-N 1 1 370.453 3.345 20 5 FGBDMO CCn1c(C)nc([N+](=O)[O-])c1NCCc1[nH+]ccn1Cc1ccccc1 ZINC000581628859 506031002 /nfs/dbraw/zinc/03/10/02/506031002.db2.gz RVFLQWCTVUBWBS-UHFFFAOYSA-N 1 1 354.414 3.019 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000302197330 498437974 /nfs/dbraw/zinc/43/79/74/498437974.db2.gz SZSSREMZJLXYDB-DZGCQCFKSA-N 1 1 361.442 3.446 20 5 FGBDMO CCOC1(C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000293802081 498493902 /nfs/dbraw/zinc/49/39/02/498493902.db2.gz VDLPCFMNDOMNGH-KRWDZBQOSA-N 1 1 358.442 3.357 20 5 FGBDMO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282430989 498509259 /nfs/dbraw/zinc/50/92/59/498509259.db2.gz KBCVYYJFPXGZSZ-ZDUSSCGKSA-N 1 1 352.394 3.479 20 5 FGBDMO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282430989 498509266 /nfs/dbraw/zinc/50/92/66/498509266.db2.gz KBCVYYJFPXGZSZ-ZDUSSCGKSA-N 1 1 352.394 3.479 20 5 FGBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH+]2CCC(Cn3ccnn3)CC2)c1 ZINC000293900722 498527196 /nfs/dbraw/zinc/52/71/96/498527196.db2.gz VYTXKGALMFGPRF-UHFFFAOYSA-N 1 1 369.347 3.117 20 5 FGBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3csc(-c4ccoc4)n3)CC2)n1 ZINC000365824793 498657430 /nfs/dbraw/zinc/65/74/30/498657430.db2.gz ZUGJYTNITBPMOH-UHFFFAOYSA-N 1 1 359.411 3.345 20 5 FGBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000572864618 506071010 /nfs/dbraw/zinc/07/10/10/506071010.db2.gz VIZJRHHVVJXKQL-UHFFFAOYSA-N 1 1 369.425 3.215 20 5 FGBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000303462422 498679259 /nfs/dbraw/zinc/67/92/59/498679259.db2.gz HMVARLLMRZULNI-OAHLLOKOSA-N 1 1 374.466 3.323 20 5 FGBDMO Cc1cc(CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc(N2CCCC2)[nH+]1 ZINC000581855974 506074749 /nfs/dbraw/zinc/07/47/49/506074749.db2.gz WHAAUUKWJVCAFP-UHFFFAOYSA-N 1 1 354.410 3.137 20 5 FGBDMO O=C(C[N@H+]1CCC[C@]2(CC=CCC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000303577998 498692876 /nfs/dbraw/zinc/69/28/76/498692876.db2.gz OFOXNJPEYNFMLZ-HXUWFJFHSA-N 1 1 355.438 3.306 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000576102713 506077263 /nfs/dbraw/zinc/07/72/63/506077263.db2.gz XCCJOFVISMLONF-CQSZACIVSA-N 1 1 355.232 3.237 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000576102713 506077264 /nfs/dbraw/zinc/07/72/64/506077264.db2.gz XCCJOFVISMLONF-CQSZACIVSA-N 1 1 355.232 3.237 20 5 FGBDMO Cc1ccnc(N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1[N+](=O)[O-] ZINC000312041893 498755707 /nfs/dbraw/zinc/75/57/07/498755707.db2.gz WRSUYWDPMSJULH-MSOLQXFVSA-N 1 1 352.438 3.257 20 5 FGBDMO Cc1ccnc(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC000312041895 498756061 /nfs/dbraw/zinc/75/60/61/498756061.db2.gz WRSUYWDPMSJULH-ROUUACIJSA-N 1 1 352.438 3.257 20 5 FGBDMO Cc1cc(Cl)c(C(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000294640404 498758423 /nfs/dbraw/zinc/75/84/23/498758423.db2.gz BCCZVHXYWFTPBH-CQSZACIVSA-N 1 1 351.790 3.182 20 5 FGBDMO CC(C)(C[C@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1)C(N)=O ZINC000294744538 498791062 /nfs/dbraw/zinc/79/10/62/498791062.db2.gz HMUJQHBAYOCCEQ-CYBMUJFWSA-N 1 1 353.850 3.362 20 5 FGBDMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000298733479 498863551 /nfs/dbraw/zinc/86/35/51/498863551.db2.gz OCBBFDLGIYODMK-AWEZNQCLSA-N 1 1 362.451 3.234 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@H](SC)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000295017110 498881805 /nfs/dbraw/zinc/88/18/05/498881805.db2.gz KEGLDCRXIUHJGR-NSHDSACASA-N 1 1 362.398 3.185 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)CCCc1cc(-c2ccc(F)cc2)no1 ZINC000363586184 498891539 /nfs/dbraw/zinc/89/15/39/498891539.db2.gz IGNUXUZIRJCMMW-UHFFFAOYSA-N 1 1 373.388 3.187 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)no1 ZINC000363586184 498891547 /nfs/dbraw/zinc/89/15/47/498891547.db2.gz IGNUXUZIRJCMMW-UHFFFAOYSA-N 1 1 373.388 3.187 20 5 FGBDMO C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+](Cc2ccccc2)C1 ZINC000582066450 506126250 /nfs/dbraw/zinc/12/62/50/506126250.db2.gz DISUZCHOOTUNFN-LJQANCHMSA-N 1 1 357.385 3.128 20 5 FGBDMO Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000366808142 499081357 /nfs/dbraw/zinc/08/13/57/499081357.db2.gz LCKGIBSZOLIQGC-SJLPKXTDSA-N 1 1 357.385 3.218 20 5 FGBDMO Cc1cccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000366808142 499081362 /nfs/dbraw/zinc/08/13/62/499081362.db2.gz LCKGIBSZOLIQGC-SJLPKXTDSA-N 1 1 357.385 3.218 20 5 FGBDMO Cc1cc([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)[nH]n1 ZINC000364006602 499082828 /nfs/dbraw/zinc/08/28/28/499082828.db2.gz CZNQGBKDMTWQHU-CABCVRRESA-N 1 1 371.441 3.141 20 5 FGBDMO Cc1cc([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)[nH]n1 ZINC000364006602 499082832 /nfs/dbraw/zinc/08/28/32/499082832.db2.gz CZNQGBKDMTWQHU-CABCVRRESA-N 1 1 371.441 3.141 20 5 FGBDMO Cc1cc([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)n[nH]1 ZINC000364006602 499082838 /nfs/dbraw/zinc/08/28/38/499082838.db2.gz CZNQGBKDMTWQHU-CABCVRRESA-N 1 1 371.441 3.141 20 5 FGBDMO Cc1cc([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)n[nH]1 ZINC000364006602 499082843 /nfs/dbraw/zinc/08/28/43/499082843.db2.gz CZNQGBKDMTWQHU-CABCVRRESA-N 1 1 371.441 3.141 20 5 FGBDMO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000366875082 499102298 /nfs/dbraw/zinc/10/22/98/499102298.db2.gz GAJUFGWPHVPLSE-GVDBMIGSSA-N 1 1 357.410 3.495 20 5 FGBDMO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2)nc1 ZINC000367289758 499174317 /nfs/dbraw/zinc/17/43/17/499174317.db2.gz MAEOIDBOJZFRLY-UHFFFAOYSA-N 1 1 372.400 3.288 20 5 FGBDMO COc1cc(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2CO)c([N+](=O)[O-])cc1F ZINC000370520087 499228144 /nfs/dbraw/zinc/22/81/44/499228144.db2.gz TZVPWOIFTYLYHS-YJYMSZOUSA-N 1 1 360.385 3.128 20 5 FGBDMO CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000371121542 499290657 /nfs/dbraw/zinc/29/06/57/499290657.db2.gz FGLVZSCWSMZPME-PYUISTEWSA-N 1 1 354.410 3.058 20 5 FGBDMO C[N@@H+](C[C@@H]1CC12CCN(c1nc3sccn3c1[N+](=O)[O-])CC2)C1CC1 ZINC000371338305 499312982 /nfs/dbraw/zinc/31/29/82/499312982.db2.gz AIWRZTFPAXYGDY-LBPRGKRZSA-N 1 1 361.471 3.005 20 5 FGBDMO COCc1nccc([C@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000371439148 499326691 /nfs/dbraw/zinc/32/66/91/499326691.db2.gz SCAXEJGNCXBCDK-INIZCTEOSA-N 1 1 356.426 3.219 20 5 FGBDMO C[C@@H]1[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCC12CCOCC2 ZINC000368813436 499335431 /nfs/dbraw/zinc/33/54/31/499335431.db2.gz GMRNUXIZLZZJTK-LBPRGKRZSA-N 1 1 367.833 3.078 20 5 FGBDMO C[C@@H]1[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCC12CCOCC2 ZINC000368813436 499335433 /nfs/dbraw/zinc/33/54/33/499335433.db2.gz GMRNUXIZLZZJTK-LBPRGKRZSA-N 1 1 367.833 3.078 20 5 FGBDMO CC(C)n1cc(C[N@@H+]2CCCN(c3cccc(F)c3[N+](=O)[O-])CC2)cn1 ZINC000371613979 499347566 /nfs/dbraw/zinc/34/75/66/499347566.db2.gz YJJXUFVTBBHUDD-UHFFFAOYSA-N 1 1 361.421 3.224 20 5 FGBDMO CC(C)n1cc(C[N@H+]2CCCN(c3cccc(F)c3[N+](=O)[O-])CC2)cn1 ZINC000371613979 499347568 /nfs/dbraw/zinc/34/75/68/499347568.db2.gz YJJXUFVTBBHUDD-UHFFFAOYSA-N 1 1 361.421 3.224 20 5 FGBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3cccc(OC(F)F)c3)C2)c1 ZINC000369012907 499357239 /nfs/dbraw/zinc/35/72/39/499357239.db2.gz ZPYXFLWJYBQWGQ-ZDUSSCGKSA-N 1 1 352.341 3.230 20 5 FGBDMO COCc1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000371831582 499369576 /nfs/dbraw/zinc/36/95/76/499369576.db2.gz ZAFVMRZVNGRUGJ-BMGDILEWSA-N 1 1 363.458 3.043 20 5 FGBDMO Cc1c([C@H](C)N[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000372045500 499392626 /nfs/dbraw/zinc/39/26/26/499392626.db2.gz DGFWTSWHXDASDF-ITQYTPKQSA-N 1 1 361.486 3.443 20 5 FGBDMO Cc1c([C@H](C)N[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000372045500 499392628 /nfs/dbraw/zinc/39/26/28/499392628.db2.gz DGFWTSWHXDASDF-ITQYTPKQSA-N 1 1 361.486 3.443 20 5 FGBDMO Cc1c([C@H](C)N[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000372045504 499392750 /nfs/dbraw/zinc/39/27/50/499392750.db2.gz DGFWTSWHXDASDF-PCODUJHASA-N 1 1 361.486 3.443 20 5 FGBDMO Cc1c([C@H](C)N[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000372045504 499392751 /nfs/dbraw/zinc/39/27/51/499392751.db2.gz DGFWTSWHXDASDF-PCODUJHASA-N 1 1 361.486 3.443 20 5 FGBDMO C[C@H](NC(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000372086682 499397712 /nfs/dbraw/zinc/39/77/12/499397712.db2.gz OGKFGXFZNSCDTA-CABCVRRESA-N 1 1 360.458 3.314 20 5 FGBDMO O=C(Nc1ccccn1)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000369404027 499400160 /nfs/dbraw/zinc/40/01/60/499400160.db2.gz OCDFGYXMIYZUMG-UHFFFAOYSA-N 1 1 374.828 3.494 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@H](OCC4CC4)C3)o2)cc1 ZINC000372293150 499417472 /nfs/dbraw/zinc/41/74/72/499417472.db2.gz CDNMRUQEEAGZBT-INIZCTEOSA-N 1 1 358.398 3.036 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@H](OCC4CC4)C3)o2)cc1 ZINC000372293150 499417474 /nfs/dbraw/zinc/41/74/74/499417474.db2.gz CDNMRUQEEAGZBT-INIZCTEOSA-N 1 1 358.398 3.036 20 5 FGBDMO CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000369560123 499417816 /nfs/dbraw/zinc/41/78/16/499417816.db2.gz IUOPPNHLBDFCHC-AWEZNQCLSA-N 1 1 373.413 3.059 20 5 FGBDMO CC(C)C[N@H+]1CCCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000369585893 499422797 /nfs/dbraw/zinc/42/27/97/499422797.db2.gz VCAKRSMCBVWNMG-OAHLLOKOSA-N 1 1 373.457 3.370 20 5 FGBDMO Cc1nc(CO[C@@H]2CC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C2)cs1 ZINC000372943255 499443986 /nfs/dbraw/zinc/44/39/86/499443986.db2.gz FOBGGNLLKNUKEC-QGZVFWFLSA-N 1 1 363.439 3.030 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](O)c2ccccc2C1 ZINC000373125270 499452735 /nfs/dbraw/zinc/45/27/35/499452735.db2.gz NCIFTAYQWTXDTG-LJQANCHMSA-N 1 1 369.421 3.171 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](OCc2csc(C)n2)C1 ZINC000375390675 499513408 /nfs/dbraw/zinc/51/34/08/499513408.db2.gz HWRGIFGOQJMEPU-INIZCTEOSA-N 1 1 363.439 3.159 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](OCc2csc(C)n2)C1 ZINC000375390675 499513410 /nfs/dbraw/zinc/51/34/10/499513410.db2.gz HWRGIFGOQJMEPU-INIZCTEOSA-N 1 1 363.439 3.159 20 5 FGBDMO Cc1ncccc1O[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000375460363 499521665 /nfs/dbraw/zinc/52/16/65/499521665.db2.gz WIUKWFPPLBCJDI-AWEZNQCLSA-N 1 1 354.366 3.093 20 5 FGBDMO Cc1ncccc1O[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000375460363 499521667 /nfs/dbraw/zinc/52/16/67/499521667.db2.gz WIUKWFPPLBCJDI-AWEZNQCLSA-N 1 1 354.366 3.093 20 5 FGBDMO Cc1ncc(C[N@H+]2CC[C@@H](Nc3cc(N)ccc3[N+](=O)[O-])[C@H](C)C2)s1 ZINC000375697592 499546847 /nfs/dbraw/zinc/54/68/47/499546847.db2.gz OBUAENDBFKMKEZ-IAQYHMDHSA-N 1 1 361.471 3.264 20 5 FGBDMO C[C@@]1(CNc2ccc(C(N)=O)cc2[N+](=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000397927596 499565225 /nfs/dbraw/zinc/56/52/25/499565225.db2.gz SPMJGJOHFCCEAO-FQEVSTJZSA-N 1 1 368.437 3.160 20 5 FGBDMO O=[N+]([O-])c1cncc(Br)c1N1CCC[N@H+](C2CCCC2)CC1 ZINC000408051764 499575033 /nfs/dbraw/zinc/57/50/33/499575033.db2.gz QVXJVFBACXAJJE-UHFFFAOYSA-N 1 1 369.263 3.207 20 5 FGBDMO Cc1c[nH+]cn1C1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000376471958 499610933 /nfs/dbraw/zinc/61/09/33/499610933.db2.gz GAIYCBAKBLYVSI-UHFFFAOYSA-N 1 1 355.320 3.355 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC2(CCC[N@H+]2C)CC1 ZINC000377198418 499670058 /nfs/dbraw/zinc/67/00/58/499670058.db2.gz PDLYDIYHMFOZII-CQSZACIVSA-N 1 1 371.441 3.266 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2nc(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)cs2)c1 ZINC000377642238 499714503 /nfs/dbraw/zinc/71/45/03/499714503.db2.gz BHQBYAYRVJCOJO-GOEBONIOSA-N 1 1 358.467 3.435 20 5 FGBDMO CC(C)[C@@]1(CO)CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000377656511 499716036 /nfs/dbraw/zinc/71/60/36/499716036.db2.gz VXSPOUBAUHUQIC-IBGZPJMESA-N 1 1 359.426 3.133 20 5 FGBDMO Cc1[nH+]c(CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)c2n1CCCC2 ZINC000377847577 499741838 /nfs/dbraw/zinc/74/18/38/499741838.db2.gz NXFORRSEFMLNAH-UHFFFAOYSA-N 1 1 363.805 3.411 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]CC(C)(C)c1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000414329701 499778389 /nfs/dbraw/zinc/77/83/89/499778389.db2.gz IGXYRZOJOSHPOR-GOSISDBHSA-N 1 1 365.437 3.380 20 5 FGBDMO C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[N@H+]1Cc1ccccc1 ZINC000411981884 499808831 /nfs/dbraw/zinc/80/88/31/499808831.db2.gz JLLPSMWREXPGDE-OAHLLOKOSA-N 1 1 366.421 3.442 20 5 FGBDMO Cc1c[nH+]cn1C1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413271165 499935148 /nfs/dbraw/zinc/93/51/48/499935148.db2.gz RXMPRJFYKMFLRZ-UHFFFAOYSA-N 1 1 355.320 3.355 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)[C@H](C)C1 ZINC000413497390 499972299 /nfs/dbraw/zinc/97/22/99/499972299.db2.gz FYSQNDKOYOFHAZ-ZBFHGGJFSA-N 1 1 363.458 3.184 20 5 FGBDMO O=[N+]([O-])c1ccc2c(c1)[C@H](NC1CC[NH+]([C@@H]3CCC[C@H]3O)CC1)CCCC2 ZINC000417311321 500036222 /nfs/dbraw/zinc/03/62/22/500036222.db2.gz OIFIJSMSGMNKBQ-NJDAHSKKSA-N 1 1 373.497 3.330 20 5 FGBDMO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CCN([C@@H]3CCC[C@H]3O)CC1)CCCC2 ZINC000417311321 500036224 /nfs/dbraw/zinc/03/62/24/500036224.db2.gz OIFIJSMSGMNKBQ-NJDAHSKKSA-N 1 1 373.497 3.330 20 5 FGBDMO Cc1ccc(N2CCC(NC(=O)c3cc([N+](=O)[O-])c(C)cc3C)CC2)[nH+]c1 ZINC000421472932 500057743 /nfs/dbraw/zinc/05/77/43/500057743.db2.gz GDRRMDUASXQZEM-UHFFFAOYSA-N 1 1 368.437 3.314 20 5 FGBDMO C[N@@H+](CCc1nccs1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425413892 500098479 /nfs/dbraw/zinc/09/84/79/500098479.db2.gz CELWIZUKWKNCJX-UHFFFAOYSA-N 1 1 356.245 3.488 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000430192395 500206750 /nfs/dbraw/zinc/20/67/50/500206750.db2.gz BSYAKMDGSDNNRF-AWEZNQCLSA-N 1 1 350.415 3.157 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000430192395 500206752 /nfs/dbraw/zinc/20/67/52/500206752.db2.gz BSYAKMDGSDNNRF-AWEZNQCLSA-N 1 1 350.415 3.157 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000425970166 500218968 /nfs/dbraw/zinc/21/89/68/500218968.db2.gz ZBMDVQAOJZCLGH-SCFJZMLDSA-N 1 1 372.469 3.076 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000425970166 500218969 /nfs/dbraw/zinc/21/89/69/500218969.db2.gz ZBMDVQAOJZCLGH-SCFJZMLDSA-N 1 1 372.469 3.076 20 5 FGBDMO CC[N@@H+]1CCc2nc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])sc2C1 ZINC000431665014 500405733 /nfs/dbraw/zinc/40/57/33/500405733.db2.gz NGAJHSPYIXRWIO-UHFFFAOYSA-N 1 1 374.466 3.346 20 5 FGBDMO CC[N@H+]1CCc2nc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])sc2C1 ZINC000431665014 500405734 /nfs/dbraw/zinc/40/57/34/500405734.db2.gz NGAJHSPYIXRWIO-UHFFFAOYSA-N 1 1 374.466 3.346 20 5 FGBDMO C[C@@]12CCC[N@@H+]1C[C@H](c1noc([C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)n1)OC2 ZINC000420499768 500467652 /nfs/dbraw/zinc/46/76/52/500467652.db2.gz QRBONAWRPQDKTG-MKSNKDDYSA-N 1 1 370.409 3.175 20 5 FGBDMO C[C@@]12CCC[N@H+]1C[C@H](c1noc([C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)n1)OC2 ZINC000420499768 500467653 /nfs/dbraw/zinc/46/76/53/500467653.db2.gz QRBONAWRPQDKTG-MKSNKDDYSA-N 1 1 370.409 3.175 20 5 FGBDMO C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)[C@H](C(N)=O)C1 ZINC000428457704 500512777 /nfs/dbraw/zinc/51/27/77/500512777.db2.gz MYVZLAJFPMIIBG-WBMJQRKESA-N 1 1 359.451 3.409 20 5 FGBDMO Nc1c(F)c(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1[N+](=O)[O-] ZINC000428689045 500543764 /nfs/dbraw/zinc/54/37/64/500543764.db2.gz IPDVEYUXPAJLSV-OAHLLOKOSA-N 1 1 374.416 3.019 20 5 FGBDMO Cc1ccccc1C[C@@H](C)[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000447402807 500601099 /nfs/dbraw/zinc/60/10/99/500601099.db2.gz AWLJTJYOALCTBM-MRXNPFEDSA-N 1 1 367.449 3.355 20 5 FGBDMO COc1cc(C[NH+]2CCC(CO)(c3ccccc3)CC2)c([N+](=O)[O-])cc1F ZINC000433068508 500618668 /nfs/dbraw/zinc/61/86/68/500618668.db2.gz POSYLHPGOBCRBK-UHFFFAOYSA-N 1 1 374.412 3.269 20 5 FGBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000447816140 500668928 /nfs/dbraw/zinc/66/89/28/500668928.db2.gz IEHNNCGKPJOTQJ-GOSISDBHSA-N 1 1 374.485 3.363 20 5 FGBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000447817792 500669882 /nfs/dbraw/zinc/66/98/82/500669882.db2.gz SJPKQMYMIIJQOI-KBPBESRZSA-N 1 1 353.806 3.074 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000443394238 500718337 /nfs/dbraw/zinc/71/83/37/500718337.db2.gz ZCBPNWVPXDCDCF-HNNXBMFYSA-N 1 1 364.446 3.235 20 5 FGBDMO COCC[N@@H+](C)CC[C@H](Nc1ncc([N+](=O)[O-])s1)c1ccccc1 ZINC000443511371 500731865 /nfs/dbraw/zinc/73/18/65/500731865.db2.gz QHVNHOWTLKIDCI-AWEZNQCLSA-N 1 1 350.444 3.173 20 5 FGBDMO C[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000444229947 500820880 /nfs/dbraw/zinc/82/08/80/500820880.db2.gz WQPKWOOLMUYXRS-NEPJUHHUSA-N 1 1 360.439 3.387 20 5 FGBDMO C[C@@H]1C[C@H](C)[N@@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000444229947 500820883 /nfs/dbraw/zinc/82/08/83/500820883.db2.gz WQPKWOOLMUYXRS-NEPJUHHUSA-N 1 1 360.439 3.387 20 5 FGBDMO CC(C)(NC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000434351565 500830483 /nfs/dbraw/zinc/83/04/83/500830483.db2.gz KSKFDLGBTQPOAK-KRWDZBQOSA-N 1 1 360.458 3.146 20 5 FGBDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000434892568 500908515 /nfs/dbraw/zinc/90/85/15/500908515.db2.gz SRIRSVMOKQGLNI-BEFAXECRSA-N 1 1 365.433 3.362 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000439884068 500950246 /nfs/dbraw/zinc/95/02/46/500950246.db2.gz VUGNOFASLWGOIP-ZIAGYGMSSA-N 1 1 364.446 3.235 20 5 FGBDMO COc1ccc(C)cc1C[NH+]1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000611615607 506228835 /nfs/dbraw/zinc/22/88/35/506228835.db2.gz JZQBBFSLCYOTRR-UHFFFAOYSA-N 1 1 370.453 3.246 20 5 FGBDMO O=[N+]([O-])c1ccc(CC[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435628035 501004848 /nfs/dbraw/zinc/00/48/48/501004848.db2.gz PDQUEGPSGUPXRF-LJQANCHMSA-N 1 1 354.454 3.177 20 5 FGBDMO O=[N+]([O-])c1ccc(CCN(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435628035 501004849 /nfs/dbraw/zinc/00/48/49/501004849.db2.gz PDQUEGPSGUPXRF-LJQANCHMSA-N 1 1 354.454 3.177 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+]3CC[C@@](O)(C(F)F)C3)o2)c([N+](=O)[O-])c1 ZINC000449470664 501010614 /nfs/dbraw/zinc/01/06/14/501010614.db2.gz NVEXKWZICSQOGT-KRWDZBQOSA-N 1 1 368.336 3.065 20 5 FGBDMO Cn1c2ccc(C[N@H+]3CCC[C@@H](c4ccc([N+](=O)[O-])cc4)C3)cc2oc1=O ZINC000449503117 501019199 /nfs/dbraw/zinc/01/91/99/501019199.db2.gz SUVLZNCMHQBPST-MRXNPFEDSA-N 1 1 367.405 3.419 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)c1 ZINC000449553609 501032210 /nfs/dbraw/zinc/03/22/10/501032210.db2.gz MEWGRHXBNNJEHX-JMSVASOKSA-N 1 1 356.369 3.179 20 5 FGBDMO CCOc1ccccc1C[N@@H+]1CCN(c2ncccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000440655187 501035361 /nfs/dbraw/zinc/03/53/61/501035361.db2.gz BNARPZVLHVPEKE-HNNXBMFYSA-N 1 1 356.426 3.099 20 5 FGBDMO CCOc1ccccc1C[N@H+]1CCN(c2ncccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000440655187 501035363 /nfs/dbraw/zinc/03/53/63/501035363.db2.gz BNARPZVLHVPEKE-HNNXBMFYSA-N 1 1 356.426 3.099 20 5 FGBDMO COc1cc(C[NH2+][C@@]2(CO)CCCc3ccccc32)c([N+](=O)[O-])cc1F ZINC000440817048 501052181 /nfs/dbraw/zinc/05/21/81/501052181.db2.gz FEJVQQIAYSVILL-LJQANCHMSA-N 1 1 360.385 3.056 20 5 FGBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000450388218 501107930 /nfs/dbraw/zinc/10/79/30/501107930.db2.gz IFGXDVYYMJCWMR-DYVFJYSZSA-N 1 1 356.426 3.072 20 5 FGBDMO C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441279461 501113486 /nfs/dbraw/zinc/11/34/86/501113486.db2.gz ARJSTQINIOVAAU-GWCFXTLKSA-N 1 1 373.240 3.152 20 5 FGBDMO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000436384082 501117824 /nfs/dbraw/zinc/11/78/24/501117824.db2.gz GGJSFUXGIRNXMO-UHFFFAOYSA-N 1 1 358.364 3.463 20 5 FGBDMO CC[N@H+]1CCC[C@H](NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436423749 501124996 /nfs/dbraw/zinc/12/49/96/501124996.db2.gz VZINGBBOGZHCKP-ZDUSSCGKSA-N 1 1 367.424 3.035 20 5 FGBDMO COc1ccc(OCC[N@H+]2CC[C@H](c3ccccc3OC)C2)c([N+](=O)[O-])c1 ZINC000441406661 501134282 /nfs/dbraw/zinc/13/42/82/501134282.db2.gz YMZSHVBPTLHROB-HNNXBMFYSA-N 1 1 372.421 3.480 20 5 FGBDMO CN1Cc2ccccc2[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1=O ZINC000598942832 506237467 /nfs/dbraw/zinc/23/74/67/506237467.db2.gz PCFRGCLNYFTXSM-RTBURBONSA-N 1 1 351.406 3.275 20 5 FGBDMO C[C@@H](c1ccccc1Cl)[NH+]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596071273 506239761 /nfs/dbraw/zinc/23/97/61/506239761.db2.gz NXLCHWLHVHFWIJ-LBPRGKRZSA-N 1 1 362.817 3.232 20 5 FGBDMO O=[N+]([O-])c1ccc2c(ccnc2N2CC[NH+](Cc3cccc(O)c3)CC2)c1 ZINC000450301516 501229148 /nfs/dbraw/zinc/22/91/48/501229148.db2.gz IVNOZXSPXLVSGL-UHFFFAOYSA-N 1 1 364.405 3.171 20 5 FGBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000457781055 501307821 /nfs/dbraw/zinc/30/78/21/501307821.db2.gz GXERSLMVWHVOEJ-SCTDSRPQSA-N 1 1 372.469 3.111 20 5 FGBDMO O=C(C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)NCc1cccs1 ZINC000451579832 501329493 /nfs/dbraw/zinc/32/94/93/501329493.db2.gz ZCVOZJMRSOJOND-OAHLLOKOSA-N 1 1 359.451 3.152 20 5 FGBDMO O=C(C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)NCc1cccs1 ZINC000451579832 501329495 /nfs/dbraw/zinc/32/94/95/501329495.db2.gz ZCVOZJMRSOJOND-OAHLLOKOSA-N 1 1 359.451 3.152 20 5 FGBDMO CO[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C12CCC2 ZINC000451863557 501388541 /nfs/dbraw/zinc/38/85/41/501388541.db2.gz YWFUBXBLDKHXIM-SJORKVTESA-N 1 1 361.442 3.121 20 5 FGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000451893614 501394870 /nfs/dbraw/zinc/39/48/70/501394870.db2.gz CAAQBZCQMWJRIS-UGSOOPFHSA-N 1 1 358.398 3.208 20 5 FGBDMO C[N@H+]1CCC[C@H](CCNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000458235246 501400772 /nfs/dbraw/zinc/40/07/72/501400772.db2.gz XUCTXDPJXQSYSG-LLVKDONJSA-N 1 1 359.348 3.075 20 5 FGBDMO C[C@H](C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000452182378 501455660 /nfs/dbraw/zinc/45/56/60/501455660.db2.gz LJNFAHSRKACEGW-LSDHHAIUSA-N 1 1 353.422 3.219 20 5 FGBDMO C[C@H](C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000452182378 501455662 /nfs/dbraw/zinc/45/56/62/501455662.db2.gz LJNFAHSRKACEGW-LSDHHAIUSA-N 1 1 353.422 3.219 20 5 FGBDMO C[C@H](NC(=O)NCC[N@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000454203018 501481243 /nfs/dbraw/zinc/48/12/43/501481243.db2.gz BSTSHAYNFRROFG-HNNXBMFYSA-N 1 1 368.437 3.013 20 5 FGBDMO C[C@H](NC(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000454586384 501584831 /nfs/dbraw/zinc/58/48/31/501584831.db2.gz IJXHACUEERJNRU-AWEZNQCLSA-N 1 1 374.416 3.226 20 5 FGBDMO CC(C)(C(=O)NCC[N@H+]1CCCC1(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000457057984 501642653 /nfs/dbraw/zinc/64/26/53/501642653.db2.gz PPFWUBZKZLJROJ-UHFFFAOYSA-N 1 1 351.422 3.002 20 5 FGBDMO Cc1ccc([C@@H](C)NC(=O)NC[C@H]2CC[N@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000598999094 506271039 /nfs/dbraw/zinc/27/10/39/506271039.db2.gz DWLVBBKNQZFADQ-RHSMWYFYSA-N 1 1 360.458 3.280 20 5 FGBDMO COCC[C@@H]1CCCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000467264032 501751381 /nfs/dbraw/zinc/75/13/81/501751381.db2.gz HKGQFXLTFZZHHG-INIZCTEOSA-N 1 1 363.458 3.370 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474234642 501755410 /nfs/dbraw/zinc/75/54/10/501755410.db2.gz UJBYTWXONQPWCK-LJQANCHMSA-N 1 1 355.438 3.310 20 5 FGBDMO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000470665941 501759283 /nfs/dbraw/zinc/75/92/83/501759283.db2.gz GOCKQSWAJMBYIO-LJQANCHMSA-N 1 1 371.437 3.187 20 5 FGBDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000470665941 501759289 /nfs/dbraw/zinc/75/92/89/501759289.db2.gz GOCKQSWAJMBYIO-LJQANCHMSA-N 1 1 371.437 3.187 20 5 FGBDMO C[C@@H]1C[N@H+](Cc2cccc(Nc3cc[nH]c(=O)c3[N+](=O)[O-])c2)C[C@H](C)O1 ZINC000596133450 506273173 /nfs/dbraw/zinc/27/31/73/506273173.db2.gz BIQGKJMBUSDURN-BETUJISGSA-N 1 1 358.398 3.048 20 5 FGBDMO CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460318742 501790736 /nfs/dbraw/zinc/79/07/36/501790736.db2.gz RYPWQWCAFMHPDM-RHSMWYFYSA-N 1 1 372.473 3.182 20 5 FGBDMO Cc1cc(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000467694932 501846846 /nfs/dbraw/zinc/84/68/46/501846846.db2.gz CNDTVAOXZNLPND-CRAIPNDOSA-N 1 1 353.422 3.296 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000467700513 501848088 /nfs/dbraw/zinc/84/80/88/501848088.db2.gz LOCLSRVCLRQYOJ-RDJZCZTQSA-N 1 1 353.422 3.296 20 5 FGBDMO Cc1ccc([C@H]2CC[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)c(C)c1 ZINC000471019010 501892505 /nfs/dbraw/zinc/89/25/05/501892505.db2.gz NTOIPBBWQCRUIZ-ZWKOTPCHSA-N 1 1 370.449 3.441 20 5 FGBDMO Cc1ccc([C@H]2CC[N@@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)c(C)c1 ZINC000471022125 501894157 /nfs/dbraw/zinc/89/41/57/501894157.db2.gz LZANRRRXPFGKMX-HKUYNNGSSA-N 1 1 370.449 3.441 20 5 FGBDMO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000485755430 501926571 /nfs/dbraw/zinc/92/65/71/501926571.db2.gz NQSZUZKWBVFPNG-IAGOWNOFSA-N 1 1 363.458 3.083 20 5 FGBDMO CCc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000471357907 501997578 /nfs/dbraw/zinc/99/75/78/501997578.db2.gz LCUALYTUKKZDNX-SFHVURJKSA-N 1 1 353.422 3.162 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596162814 506288151 /nfs/dbraw/zinc/28/81/51/506288151.db2.gz PPBQFEKLCRJMOL-HNNXBMFYSA-N 1 1 374.485 3.175 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)c1 ZINC000478614268 502033802 /nfs/dbraw/zinc/03/38/02/502033802.db2.gz GAWHPNTUDHFRPU-CHWSQXEVSA-N 1 1 351.472 3.309 20 5 FGBDMO C[NH+](C)[C@@H](C(=O)NCCc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000461261017 502055135 /nfs/dbraw/zinc/05/51/35/502055135.db2.gz WDBIEBIKFDEIQS-QGZVFWFLSA-N 1 1 361.829 3.210 20 5 FGBDMO Cc1c(CNC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000478767327 502079718 /nfs/dbraw/zinc/07/97/18/502079718.db2.gz MBUNCIPHTZDLIZ-OAHLLOKOSA-N 1 1 362.474 3.215 20 5 FGBDMO CC[C@H](Nc1ccc([N+](=O)[O-])nc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000471694396 502110390 /nfs/dbraw/zinc/11/03/90/502110390.db2.gz UEBGMMRPPVUNEY-ZWKOTPCHSA-N 1 1 356.426 3.081 20 5 FGBDMO CC[C@H](Nc1ccc([N+](=O)[O-])nc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000471694396 502110393 /nfs/dbraw/zinc/11/03/93/502110393.db2.gz UEBGMMRPPVUNEY-ZWKOTPCHSA-N 1 1 356.426 3.081 20 5 FGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000602782202 506296500 /nfs/dbraw/zinc/29/65/00/506296500.db2.gz VYBIZPYXHPNZCG-APWZRJJASA-N 1 1 371.485 3.085 20 5 FGBDMO Cc1ncc([N+](=O)[O-])n1CCN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000602782202 506296507 /nfs/dbraw/zinc/29/65/07/506296507.db2.gz VYBIZPYXHPNZCG-APWZRJJASA-N 1 1 371.485 3.085 20 5 FGBDMO Cc1ncc([N+](=O)[O-])n1CCN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000602782202 506296512 /nfs/dbraw/zinc/29/65/12/506296512.db2.gz VYBIZPYXHPNZCG-APWZRJJASA-N 1 1 371.485 3.085 20 5 FGBDMO Cn1cc(C[NH2+]C(C)(C)c2ccc(Br)cc2)c([N+](=O)[O-])n1 ZINC000602791188 506299852 /nfs/dbraw/zinc/29/98/52/506299852.db2.gz MTRFNCFSDPMMTR-UHFFFAOYSA-N 1 1 353.220 3.116 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+](C)Cc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000475571423 502216521 /nfs/dbraw/zinc/21/65/21/502216521.db2.gz MGOLRHAWJGJUNF-UHFFFAOYSA-N 1 1 358.394 3.087 20 5 FGBDMO C[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccc(OCC(F)(F)F)cc1 ZINC000602804446 506305225 /nfs/dbraw/zinc/30/52/25/506305225.db2.gz GHXYQUIBYPRMSA-SNVBAGLBSA-N 1 1 358.320 3.120 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+]2CCc3ccccc3[C@H]2C)cc1[N+](=O)[O-] ZINC000475694463 502256050 /nfs/dbraw/zinc/25/60/50/502256050.db2.gz GJNQTAOESUKNIJ-CQSZACIVSA-N 1 1 370.405 3.266 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CCc3ccccc3[C@H]2C)cc1[N+](=O)[O-] ZINC000475694463 502256054 /nfs/dbraw/zinc/25/60/54/502256054.db2.gz GJNQTAOESUKNIJ-CQSZACIVSA-N 1 1 370.405 3.266 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@]3(CC=CCC3)C2)cc1[N+](=O)[O-] ZINC000475718635 502263741 /nfs/dbraw/zinc/26/37/41/502263741.db2.gz YMSPDTOLBNEPIS-HXUWFJFHSA-N 1 1 374.437 3.469 20 5 FGBDMO CCC1(CC)CC[N@@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000475725646 502266483 /nfs/dbraw/zinc/26/64/83/502266483.db2.gz NNCJZLPSMIRDRT-UHFFFAOYSA-N 1 1 350.415 3.159 20 5 FGBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000462000048 502267693 /nfs/dbraw/zinc/26/76/93/502267693.db2.gz AUDJYJDPZCNWIL-CQSZACIVSA-N 1 1 350.463 3.250 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@]4(CCCOC4)C3)o2)cc1 ZINC000475742329 502276359 /nfs/dbraw/zinc/27/63/59/502276359.db2.gz OIODCSOGVLTLKX-SFHVURJKSA-N 1 1 358.398 3.037 20 5 FGBDMO CC[N@@H+]1CCO[C@@H](CNCc2csc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000486849807 502282988 /nfs/dbraw/zinc/28/29/88/502282988.db2.gz ADUDPSKANPXQHD-WMZOPIPTSA-N 1 1 361.467 3.208 20 5 FGBDMO CC[N@H+]1CCO[C@@H](CNCc2csc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000486849807 502282993 /nfs/dbraw/zinc/28/29/93/502282993.db2.gz ADUDPSKANPXQHD-WMZOPIPTSA-N 1 1 361.467 3.208 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000475875229 502316281 /nfs/dbraw/zinc/31/62/81/502316281.db2.gz HEUOVIVUCMYZDY-UHFFFAOYSA-N 1 1 356.426 3.208 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000475875229 502316285 /nfs/dbraw/zinc/31/62/85/502316285.db2.gz HEUOVIVUCMYZDY-UHFFFAOYSA-N 1 1 356.426 3.208 20 5 FGBDMO C[C@@]1(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CCC[N@H+]1Cc1ccccc1 ZINC000596199372 506307479 /nfs/dbraw/zinc/30/74/79/506307479.db2.gz AEIKQRNQNBQKMY-FQEVSTJZSA-N 1 1 368.437 3.160 20 5 FGBDMO Cc1c(CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000479727803 502357596 /nfs/dbraw/zinc/35/75/96/502357596.db2.gz BYTFOJGPRNZCAS-PKOBYXMFSA-N 1 1 368.437 3.148 20 5 FGBDMO COCC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CC[C@H](C)C1 ZINC000483408020 502378218 /nfs/dbraw/zinc/37/82/18/502378218.db2.gz OYZVZPIQDBIBOY-XJKSGUPXSA-N 1 1 350.415 3.098 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C[C@H]1CO ZINC000483435435 502390939 /nfs/dbraw/zinc/39/09/39/502390939.db2.gz BBXNGWGPWDUYDX-WBVHZDCISA-N 1 1 355.438 3.423 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)nc1OCc1ccccc1 ZINC000462507638 502469787 /nfs/dbraw/zinc/46/97/87/502469787.db2.gz YKPSRBGEZHYEJG-DLBZAZTESA-N 1 1 368.437 3.029 20 5 FGBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000462627225 502513001 /nfs/dbraw/zinc/51/30/01/502513001.db2.gz BJXISENZQGMCGA-OAHLLOKOSA-N 1 1 362.474 3.389 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000462644540 502518935 /nfs/dbraw/zinc/51/89/35/502518935.db2.gz SZRWSRWXUNMDDC-KBXCAEBGSA-N 1 1 354.410 3.237 20 5 FGBDMO CC(C)[C@@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[N@H+]1C ZINC000487992887 502592742 /nfs/dbraw/zinc/59/27/42/502592742.db2.gz YXGCPCQWVDJCLX-KRWDZBQOSA-N 1 1 358.442 3.064 20 5 FGBDMO CC(C)[C@@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCN1C ZINC000487992887 502592748 /nfs/dbraw/zinc/59/27/48/502592748.db2.gz YXGCPCQWVDJCLX-KRWDZBQOSA-N 1 1 358.442 3.064 20 5 FGBDMO C[C@H](NC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000488004428 502595788 /nfs/dbraw/zinc/59/57/88/502595788.db2.gz AOUONQFODAXUAJ-CABCVRRESA-N 1 1 360.458 3.172 20 5 FGBDMO COCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1C ZINC000488035505 502608138 /nfs/dbraw/zinc/60/81/38/502608138.db2.gz OBWVFJUUPUUPMY-SWLSCSKDSA-N 1 1 369.849 3.324 20 5 FGBDMO Cc1ccc(N2CCC(Nc3nc4ccccc4cc3[N+](=O)[O-])CC2)[nH+]c1 ZINC000473516540 502619578 /nfs/dbraw/zinc/61/95/78/502619578.db2.gz CGOLXELWWLTZNF-UHFFFAOYSA-N 1 1 363.421 3.349 20 5 FGBDMO CNc1c(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000462936676 502633024 /nfs/dbraw/zinc/63/30/24/502633024.db2.gz SBKZZSSVBHJDMK-GDBMZVCRSA-N 1 1 368.437 3.202 20 5 FGBDMO Cc1ccccc1C[NH+]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000470139074 502674444 /nfs/dbraw/zinc/67/44/44/502674444.db2.gz XHDIBXNVKNRDJV-UHFFFAOYSA-N 1 1 372.400 3.392 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000470145788 502678015 /nfs/dbraw/zinc/67/80/15/502678015.db2.gz ZBKLGHSOWWQOJD-IRXDYDNUSA-N 1 1 358.373 3.301 20 5 FGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000470170220 502692233 /nfs/dbraw/zinc/69/22/33/502692233.db2.gz QNEKPZXYSBFCNZ-HKBKRHGFSA-N 1 1 367.453 3.415 20 5 FGBDMO CC[N@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)[C@@H](C)CS(=O)(=O)CC ZINC000470175486 502694472 /nfs/dbraw/zinc/69/44/72/502694472.db2.gz QSJDKLOVCUXPBW-IPJDOKCGSA-N 1 1 354.472 3.143 20 5 FGBDMO CC[N@@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)[C@@H](C)CS(=O)(=O)CC ZINC000470175486 502694477 /nfs/dbraw/zinc/69/44/77/502694477.db2.gz QSJDKLOVCUXPBW-IPJDOKCGSA-N 1 1 354.472 3.143 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H]1C(=O)NCc1ccco1 ZINC000470174903 502695231 /nfs/dbraw/zinc/69/52/31/502695231.db2.gz NSDMVWFLMFTXOO-LSSBLYJVSA-N 1 1 369.421 3.372 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H]1C(=O)NCc1ccco1 ZINC000470174903 502695233 /nfs/dbraw/zinc/69/52/33/502695233.db2.gz NSDMVWFLMFTXOO-LSSBLYJVSA-N 1 1 369.421 3.372 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)C1CCN(c2cccnn2)CC1 ZINC000470179375 502698132 /nfs/dbraw/zinc/69/81/32/502698132.db2.gz WZFLAXOVRZIAHV-DTQAZKPQSA-N 1 1 367.453 3.389 20 5 FGBDMO Cn1cc(CNCC(C)(C)C[NH+]2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000480916565 502704469 /nfs/dbraw/zinc/70/44/69/502704469.db2.gz ZUOGRRFSEDVAQE-UHFFFAOYSA-N 1 1 371.485 3.207 20 5 FGBDMO C[C@@]1(Cc2ccccc2)CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000467019302 502760066 /nfs/dbraw/zinc/76/00/66/502760066.db2.gz WNPCDWUCTNDMNZ-RXVVDRJESA-N 1 1 370.449 3.432 20 5 FGBDMO CC[N@@H+](Cc1ccc(OC)cc1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000488592823 502760755 /nfs/dbraw/zinc/76/07/55/502760755.db2.gz KKXLCLVMFXIKCV-AWEZNQCLSA-N 1 1 357.410 3.453 20 5 FGBDMO C[C@H]1[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000588771195 506333398 /nfs/dbraw/zinc/33/33/98/506333398.db2.gz DMJROHBOIQRPNW-OXJNMPFZSA-N 1 1 367.449 3.307 20 5 FGBDMO COC(=O)c1cc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)cc(C)c1[N+](=O)[O-] ZINC000488739417 502798794 /nfs/dbraw/zinc/79/87/94/502798794.db2.gz WCMUFKYMADSCFM-CYBMUJFWSA-N 1 1 361.442 3.000 20 5 FGBDMO O=C1CCc2cc([N+](=O)[O-])c(NC[C@@H]3CC[N@H+]3C3CCCCC3)cc2N1 ZINC000599128021 506335428 /nfs/dbraw/zinc/33/54/28/506335428.db2.gz VQXJXHLDYSJFSR-HNNXBMFYSA-N 1 1 358.442 3.298 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000513179793 502870443 /nfs/dbraw/zinc/87/04/43/502870443.db2.gz VMCAKHULUCZPNU-BETUJISGSA-N 1 1 351.472 3.262 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000513179793 502870445 /nfs/dbraw/zinc/87/04/45/502870445.db2.gz VMCAKHULUCZPNU-BETUJISGSA-N 1 1 351.472 3.262 20 5 FGBDMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000489208181 502901410 /nfs/dbraw/zinc/90/14/10/502901410.db2.gz UTYQVXGMLHBSRK-GOEBONIOSA-N 1 1 363.458 3.120 20 5 FGBDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000489253417 502911289 /nfs/dbraw/zinc/91/12/89/502911289.db2.gz GYTUSZRSVHUPJU-HOCLYGCPSA-N 1 1 363.458 3.120 20 5 FGBDMO O=C(CC[N@H+]1CC[C@@H](COc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000501058256 502923565 /nfs/dbraw/zinc/92/35/65/502923565.db2.gz IYRBIHLMRFVTAE-MRXNPFEDSA-N 1 1 369.421 3.324 20 5 FGBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000509530167 502927158 /nfs/dbraw/zinc/92/71/58/502927158.db2.gz YCVFGPJWYWOBFJ-CQSZACIVSA-N 1 1 373.375 3.464 20 5 FGBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000509530165 502927313 /nfs/dbraw/zinc/92/73/13/502927313.db2.gz YCVFGPJWYWOBFJ-AWEZNQCLSA-N 1 1 373.375 3.464 20 5 FGBDMO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc2c(c1)OCO2 ZINC000509611040 502947015 /nfs/dbraw/zinc/94/70/15/502947015.db2.gz YTHLPLZFAUTIFL-NSHDSACASA-N 1 1 358.350 3.041 20 5 FGBDMO CSc1ccc(C(=O)N[C@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000497400932 502949744 /nfs/dbraw/zinc/94/97/44/502949744.db2.gz KFIVDYAFIYIJOX-HOTGVXAUSA-N 1 1 371.462 3.144 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000505804900 502989584 /nfs/dbraw/zinc/98/95/84/502989584.db2.gz IMIRGGNWVPKXDH-ZIAGYGMSSA-N 1 1 363.483 3.454 20 5 FGBDMO CC(C)[C@@H]1C[C@@H]([NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000513665877 502995582 /nfs/dbraw/zinc/99/55/82/502995582.db2.gz HVCTYQIZKCTTRP-SZMVWBNQSA-N 1 1 358.442 3.211 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000506193510 503067014 /nfs/dbraw/zinc/06/70/14/503067014.db2.gz UUZTUISJAHGDFS-GFCCVEGCSA-N 1 1 351.472 3.309 20 5 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ZINC000558030010 505291825 /nfs/dbraw/zinc/29/18/25/505291825.db2.gz TURYXCFOQLYMTM-UHFFFAOYSA-N 1 1 370.405 3.311 20 5 FGBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[NH+](CCc2ccccc2)CC1 ZINC000564039079 505308610 /nfs/dbraw/zinc/30/86/10/505308610.db2.gz GXRXVOICGTYFHR-UHFFFAOYSA-N 1 1 353.422 3.162 20 5 FGBDMO CC[N@@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@H](C)c1cccnc1 ZINC000567085947 505359308 /nfs/dbraw/zinc/35/93/08/505359308.db2.gz QPFOJNVTEKUAEF-CQSZACIVSA-N 1 1 373.409 3.125 20 5 FGBDMO Cc1nc(C)c(CC[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)s1 ZINC000552046920 505381444 /nfs/dbraw/zinc/38/14/44/505381444.db2.gz WUFUUWSLCSITQX-KRWDZBQOSA-N 1 1 371.466 3.323 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]CCC[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000552066095 505388857 /nfs/dbraw/zinc/38/88/57/505388857.db2.gz ZKDHQIYILRFCSY-QZTJIDSGSA-N 1 1 358.442 3.357 20 5 FGBDMO CC(C)(C)C1=CC[N@@H+](CCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000552169836 505421013 /nfs/dbraw/zinc/42/10/13/505421013.db2.gz 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FGBDMO C[C@@H]1CCc2ccccc2N1C(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558740506 505480223 /nfs/dbraw/zinc/48/02/23/505480223.db2.gz MMEZYNDXKYPTCH-MRXNPFEDSA-N 1 1 367.449 3.437 20 5 FGBDMO CCCC(C)(C)[N@H+](Cc1cccs1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000558863140 505513487 /nfs/dbraw/zinc/51/34/87/505513487.db2.gz KNWCIPRJLITIQS-HNNXBMFYSA-N 1 1 366.487 3.295 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@H]1CCCn2nccc21 ZINC000603029827 506387623 /nfs/dbraw/zinc/38/76/23/506387623.db2.gz QGZYNFVTSDGEOY-GFCCVEGCSA-N 1 1 351.204 3.179 20 5 FGBDMO C[C@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCc2ccc(F)cc21 ZINC000593116929 506403537 /nfs/dbraw/zinc/40/35/37/506403537.db2.gz MSIKTVJSGTUOEX-WMLDXEAASA-N 1 1 374.412 3.135 20 5 FGBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCc2ccc(F)cc21 ZINC000593116927 506403674 /nfs/dbraw/zinc/40/36/74/506403674.db2.gz MSIKTVJSGTUOEX-PBHICJAKSA-N 1 1 374.412 3.135 20 5 FGBDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(c2nc3sccn3c2[N+](=O)[O-])C1 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IXCAREQOWUFKKV-UHFFFAOYSA-N 1 1 355.394 3.256 20 5 FGBDMO COc1cccc2c1C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C2 ZINC000599643948 506547805 /nfs/dbraw/zinc/54/78/05/506547805.db2.gz IXCAREQOWUFKKV-UHFFFAOYSA-N 1 1 355.394 3.256 20 5 FGBDMO C[C@@]1(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000593338128 506554185 /nfs/dbraw/zinc/55/41/85/506554185.db2.gz WFUQUEWWADOUOP-HXUWFJFHSA-N 1 1 371.412 3.057 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)c1 ZINC000589502029 506570296 /nfs/dbraw/zinc/57/02/96/506570296.db2.gz DTEDJGIAUGWMBL-GOSISDBHSA-N 1 1 355.394 3.422 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H]2c2cccc(C)n2)c1 ZINC000589502029 506570307 /nfs/dbraw/zinc/57/03/07/506570307.db2.gz DTEDJGIAUGWMBL-GOSISDBHSA-N 1 1 355.394 3.422 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](COc3ccccc3)C2)c1 ZINC000589510351 506574316 /nfs/dbraw/zinc/57/43/16/506574316.db2.gz CADUVKWYUQCOBQ-HNNXBMFYSA-N 1 1 370.405 3.282 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](COc3ccccc3)C2)c1 ZINC000589510354 506574525 /nfs/dbraw/zinc/57/45/25/506574525.db2.gz CADUVKWYUQCOBQ-OAHLLOKOSA-N 1 1 370.405 3.282 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1 ZINC000589516113 506575683 /nfs/dbraw/zinc/57/56/83/506575683.db2.gz CXDLDDYWPFFIHM-GJZGRUSLSA-N 1 1 362.426 3.020 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@H]2CCc2ccccc2)c1 ZINC000603840475 506631144 /nfs/dbraw/zinc/63/11/44/506631144.db2.gz HHKAUBWHHHFRAY-AZUAARDMSA-N 1 1 370.449 3.432 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599830816 506663287 /nfs/dbraw/zinc/66/32/87/506663287.db2.gz NHEKSTQSHQHNGC-ZDUSSCGKSA-N 1 1 357.414 3.139 20 5 FGBDMO C[C@@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000589877299 506669620 /nfs/dbraw/zinc/66/96/20/506669620.db2.gz GWBXQEIXEXRTLK-NSHDSACASA-N 1 1 369.263 3.063 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1cccc(C)c1 ZINC000604016380 506686751 /nfs/dbraw/zinc/68/67/51/506686751.db2.gz XNFHDKNGUVTSRD-UHFFFAOYSA-N 1 1 357.410 3.372 20 5 FGBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599950056 506725893 /nfs/dbraw/zinc/72/58/93/506725893.db2.gz WADDEYJYFIMIRM-LLVKDONJSA-N 1 1 372.263 3.208 20 5 FGBDMO COc1cc(C[N@@H+](C)[C@@H](C)CCO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000593694590 506735846 /nfs/dbraw/zinc/73/58/46/506735846.db2.gz OFBBVNDTEQWPRU-HNNXBMFYSA-N 1 1 374.437 3.385 20 5 FGBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597091041 506768875 /nfs/dbraw/zinc/76/88/75/506768875.db2.gz BBCAWWKFDQTWCN-UHFFFAOYSA-N 1 1 357.842 3.072 20 5 FGBDMO COc1cccc([N+](=O)[O-])c1NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000583510534 506819312 /nfs/dbraw/zinc/81/93/12/506819312.db2.gz UVDVPKYNAKBXMR-HNNXBMFYSA-N 1 1 371.437 3.436 20 5 FGBDMO COc1cccc([N+](=O)[O-])c1NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000583510534 506819318 /nfs/dbraw/zinc/81/93/18/506819318.db2.gz UVDVPKYNAKBXMR-HNNXBMFYSA-N 1 1 371.437 3.436 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+]3C[C@@H](C)[C@](C)(CO)C3)o2)c([N+](=O)[O-])c1 ZINC000597234879 506851555 /nfs/dbraw/zinc/85/15/55/506851555.db2.gz CMVWQBWWIVOMDT-YJYMSZOUSA-N 1 1 360.410 3.314 20 5 FGBDMO CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000600225020 506858402 /nfs/dbraw/zinc/85/84/02/506858402.db2.gz VCUHAABBEVVJBC-MRXNPFEDSA-N 1 1 357.410 3.170 20 5 FGBDMO CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000600225020 506858408 /nfs/dbraw/zinc/85/84/08/506858408.db2.gz VCUHAABBEVVJBC-MRXNPFEDSA-N 1 1 357.410 3.170 20 5 FGBDMO COc1cc(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)cc([N+](=O)[O-])c1C ZINC000600230995 506861015 /nfs/dbraw/zinc/86/10/15/506861015.db2.gz XNUUUBJPXQNGNV-MRXNPFEDSA-N 1 1 361.442 3.049 20 5 FGBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000609346874 506861131 /nfs/dbraw/zinc/86/11/31/506861131.db2.gz SYNGSJGSPTUFHK-OKILXGFUSA-N 1 1 351.472 3.066 20 5 FGBDMO CSc1ccc(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000600229417 506861959 /nfs/dbraw/zinc/86/19/59/506861959.db2.gz RXGCMMGBFCRZID-OAHLLOKOSA-N 1 1 363.483 3.454 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@H](c4ccccn4)C3)n2)cc1 ZINC000590599239 506874256 /nfs/dbraw/zinc/87/42/56/506874256.db2.gz CSELQZINCVCXRS-HNNXBMFYSA-N 1 1 365.393 3.419 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@H](c4ccccn4)C3)n2)cc1 ZINC000590599239 506874261 /nfs/dbraw/zinc/87/42/61/506874261.db2.gz CSELQZINCVCXRS-HNNXBMFYSA-N 1 1 365.393 3.419 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC3(CCOCC3)[C@@H]3CCC[C@@H]31)OCCO2 ZINC000590659562 506898844 /nfs/dbraw/zinc/89/88/44/506898844.db2.gz VHYIGYNSIKZCKM-CVEARBPZSA-N 1 1 374.437 3.147 20 5 FGBDMO CCC[N@@H+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000583703837 506925212 /nfs/dbraw/zinc/92/52/12/506925212.db2.gz LRGAZCYQXJITCS-AWEZNQCLSA-N 1 1 368.453 3.103 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000600470884 506961952 /nfs/dbraw/zinc/96/19/52/506961952.db2.gz JMYWRXUWKOUAEK-BBRMVZONSA-N 1 1 363.483 3.209 20 5 FGBDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C2 ZINC000597716761 507073062 /nfs/dbraw/zinc/07/30/62/507073062.db2.gz UCHZTUGERUTXQS-MRXNPFEDSA-N 1 1 371.359 3.172 20 5 FGBDMO C[C@@H](NCC1([NH3+])CCOCC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000600712761 507076841 /nfs/dbraw/zinc/07/68/41/507076841.db2.gz XXQORSFNAPBIFG-CYBMUJFWSA-N 1 1 361.467 3.482 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000597855648 507135474 /nfs/dbraw/zinc/13/54/74/507135474.db2.gz UHXUKTPGLMHFHL-OAHLLOKOSA-N 1 1 362.474 3.024 20 5 FGBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000610446099 507243101 /nfs/dbraw/zinc/24/31/01/507243101.db2.gz QMWDAMOELCDYFH-HNNXBMFYSA-N 1 1 371.412 3.471 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@@H](OCc4ccccn4)C3)c2c1 ZINC000601131476 507273122 /nfs/dbraw/zinc/27/31/22/507273122.db2.gz LRNHIHOBKREDKW-MRXNPFEDSA-N 1 1 350.378 3.334 20 5 FGBDMO COc1ccc(Cl)cc1C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601150340 507278368 /nfs/dbraw/zinc/27/83/68/507278368.db2.gz WALYZOHUYBQNON-KRWDZBQOSA-N 1 1 350.802 3.254 20 5 FGBDMO CC1CC(n2nnc3c2CN(c2cc[nH+]c4ccc([N+](=O)[O-])cc42)CC3)C1 ZINC000601232125 507305895 /nfs/dbraw/zinc/30/58/95/507305895.db2.gz NTNDKKYAJKIZQE-UHFFFAOYSA-N 1 1 364.409 3.268 20 5 FGBDMO Cc1sc(C(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000598195454 507308052 /nfs/dbraw/zinc/30/80/52/507308052.db2.gz NUARQGVHWZBQCM-MRXNPFEDSA-N 1 1 373.478 3.354 20 5 FGBDMO Cn1ncc(Br)c1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000601292953 507324382 /nfs/dbraw/zinc/32/43/82/507324382.db2.gz ZNSSOYNLGKRMJV-CQSZACIVSA-N 1 1 365.231 3.258 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCN(c2ccccc2F)C1=O ZINC000595020025 507357288 /nfs/dbraw/zinc/35/72/88/507357288.db2.gz UJIFOQIAXIEDPV-MLGOLLRUSA-N 1 1 373.384 3.199 20 5 FGBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000610712108 507358933 /nfs/dbraw/zinc/35/89/33/507358933.db2.gz SKSVMMUNTINFNP-UHFFFAOYSA-N 1 1 371.412 3.390 20 5 FGBDMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3c(F)cccc3[N+](=O)[O-])sc2C1 ZINC000601429114 507362143 /nfs/dbraw/zinc/36/21/43/507362143.db2.gz SDZNDXMKQPKYAL-UHFFFAOYSA-N 1 1 364.402 3.209 20 5 FGBDMO CC(C)[N@H+]1CCc2nc(NC(=O)c3c(F)cccc3[N+](=O)[O-])sc2C1 ZINC000601429114 507362153 /nfs/dbraw/zinc/36/21/53/507362153.db2.gz SDZNDXMKQPKYAL-UHFFFAOYSA-N 1 1 364.402 3.209 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cccnc1N1CCCC1 ZINC000595063026 507372914 /nfs/dbraw/zinc/37/29/14/507372914.db2.gz CBZUOMXUOVYFKM-AWEZNQCLSA-N 1 1 356.426 3.449 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000595091841 507386254 /nfs/dbraw/zinc/38/62/54/507386254.db2.gz JVWILIUHFDTKIL-KBPBESRZSA-N 1 1 350.369 3.299 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000595091843 507387335 /nfs/dbraw/zinc/38/73/35/507387335.db2.gz JVWILIUHFDTKIL-UONOGXRCSA-N 1 1 350.369 3.299 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[NH+]1CCC2(CCOC2)CC1 ZINC000591845763 507390322 /nfs/dbraw/zinc/39/03/22/507390322.db2.gz WHCNRTPJHLMAND-UHFFFAOYSA-N 1 1 355.232 3.360 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000584520863 507391153 /nfs/dbraw/zinc/39/11/53/507391153.db2.gz KCRTYLZFGQJRHY-NVXWUHKLSA-N 1 1 356.426 3.109 20 5 FGBDMO O=C(C[NH+]1C2CCC1CC2)Nc1cc(N2C3CCC2CC3)ccc1[N+](=O)[O-] ZINC000610926216 507445121 /nfs/dbraw/zinc/44/51/21/507445121.db2.gz CSHZICGPHKLMLL-UHFFFAOYSA-N 1 1 370.453 3.291 20 5 FGBDMO Cc1noc(CN2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000595345115 507465825 /nfs/dbraw/zinc/46/58/25/507465825.db2.gz MWKFKNGUAZEHRU-ROUUACIJSA-N 1 1 370.453 3.378 20 5 FGBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000598562995 507488076 /nfs/dbraw/zinc/48/80/76/507488076.db2.gz YRBFNRUYTFTVHT-AWEZNQCLSA-N 1 1 365.861 3.029 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@H]3[C@@H]3CCCOC3)o2)cc1 ZINC000592134271 507498773 /nfs/dbraw/zinc/49/87/73/507498773.db2.gz OZWOSQPPXKZJOB-ZBFHGGJFSA-N 1 1 358.398 3.036 20 5 FGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000595474826 507517038 /nfs/dbraw/zinc/51/70/38/507517038.db2.gz FLZZUMYKGUYKBZ-UHFFFAOYSA-N 1 1 367.384 3.479 20 5 FGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000595474826 507517047 /nfs/dbraw/zinc/51/70/47/507517047.db2.gz FLZZUMYKGUYKBZ-UHFFFAOYSA-N 1 1 367.384 3.479 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000592192201 507531836 /nfs/dbraw/zinc/53/18/36/507531836.db2.gz GRONUZMGKRVBSA-HNNXBMFYSA-N 1 1 361.442 3.265 20 5 FGBDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1c1ccccc1 ZINC000595530826 507544549 /nfs/dbraw/zinc/54/45/49/507544549.db2.gz UUISQLLOYVNICO-IAGOWNOFSA-N 1 1 358.369 3.123 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+]3CC[C@@H](C)[C@H](CO)C3)o2)c([N+](=O)[O-])c1 ZINC000598676219 507546991 /nfs/dbraw/zinc/54/69/91/507546991.db2.gz DXAAOOOYHVPMQV-KGLIPLIRSA-N 1 1 360.410 3.314 20 5 FGBDMO COc1ccc(CCC[N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000611262608 507589083 /nfs/dbraw/zinc/58/90/83/507589083.db2.gz OQABYRDCRMDNOO-UHFFFAOYSA-N 1 1 372.421 3.439 20 5 FGBDMO C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@H]1OCCc2ccccc21 ZINC000611264892 507589487 /nfs/dbraw/zinc/58/94/87/507589487.db2.gz YMMFIZFSXNSAQR-HXUWFJFHSA-N 1 1 370.405 3.112 20 5 FGBDMO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@H]1OCCc2ccccc21 ZINC000611264892 507589495 /nfs/dbraw/zinc/58/94/95/507589495.db2.gz YMMFIZFSXNSAQR-HXUWFJFHSA-N 1 1 370.405 3.112 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCCO[C@@H](c3ccccc3)C1)OCCO2 ZINC000611268305 507591404 /nfs/dbraw/zinc/59/14/04/507591404.db2.gz SOWCCPFBQICRCG-HXUWFJFHSA-N 1 1 370.405 3.330 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCCO[C@@H](c3ccccc3)C1)OCCO2 ZINC000611268305 507591411 /nfs/dbraw/zinc/59/14/11/507591411.db2.gz SOWCCPFBQICRCG-HXUWFJFHSA-N 1 1 370.405 3.330 20 5 FGBDMO CC(=O)N1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC12CCCCC2 ZINC000611285609 507604718 /nfs/dbraw/zinc/60/47/18/507604718.db2.gz SBCWFRCTHZLIMF-VQHVLOKHSA-N 1 1 357.454 3.475 20 5 FGBDMO CC(=O)N1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC12CCCCC2 ZINC000611285609 507604719 /nfs/dbraw/zinc/60/47/19/507604719.db2.gz SBCWFRCTHZLIMF-VQHVLOKHSA-N 1 1 357.454 3.475 20 5 FGBDMO CCNc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000598887919 507663589 /nfs/dbraw/zinc/66/35/89/507663589.db2.gz DBQYSVOFGRITRS-KRWDZBQOSA-N 1 1 368.437 3.031 20 5 FGBDMO CCNc1ccc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000598887919 507663599 /nfs/dbraw/zinc/66/35/99/507663599.db2.gz DBQYSVOFGRITRS-KRWDZBQOSA-N 1 1 368.437 3.031 20 5 FGBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](CCF)C2)c([N+](=O)[O-])c1 ZINC000595754847 507668421 /nfs/dbraw/zinc/66/84/21/507668421.db2.gz DISHRUKGSAGNDW-CHWSQXEVSA-N 1 1 353.394 3.002 20 5 FGBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](CCF)C2)c([N+](=O)[O-])c1 ZINC000595754847 507668430 /nfs/dbraw/zinc/66/84/30/507668430.db2.gz DISHRUKGSAGNDW-CHWSQXEVSA-N 1 1 353.394 3.002 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c1 ZINC000595789694 507686828 /nfs/dbraw/zinc/68/68/28/507686828.db2.gz SLSCMYNWBJQYCX-CRAIPNDOSA-N 1 1 362.426 3.163 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](CCC1CC1)CC1CC1 ZINC000595872393 507719748 /nfs/dbraw/zinc/71/97/48/507719748.db2.gz XPOKYGJZYKKZQT-ZDUSSCGKSA-N 1 1 361.442 3.443 20 5 FGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000602484150 507722068 /nfs/dbraw/zinc/72/20/68/507722068.db2.gz HWQITHZJEACCGC-GFCCVEGCSA-N 1 1 369.347 3.117 20 5 FGBDMO Cc1ccc(NCCCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[nH+]c1 ZINC000530776128 562423633 /nfs/dbraw/zinc/42/36/33/562423633.db2.gz WSKMMEQMFAPIFO-UHFFFAOYSA-N 1 1 353.382 3.012 20 5 FGBDMO Cc1ccc(C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C(C)C)cc1[N+](=O)[O-] ZINC000826287758 608532720 /nfs/dbraw/zinc/53/27/20/608532720.db2.gz BUMYTHMJWGMNAO-UHFFFAOYSA-N 1 1 366.425 3.494 20 5 FGBDMO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824531244 609155624 /nfs/dbraw/zinc/15/56/24/609155624.db2.gz OKVIBEXGUZZULN-GHMZBOCLSA-N 1 1 356.361 3.326 20 5 FGBDMO O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000045869864 695827981 /nfs/dbraw/zinc/82/79/81/695827981.db2.gz WQJBSMRLEWBMPD-GOSISDBHSA-N 1 1 361.829 3.104 20 5 FGBDMO CCCO[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000108392534 700525584 /nfs/dbraw/zinc/52/55/84/700525584.db2.gz IXCUGDCQQQVUGW-AWEZNQCLSA-N 1 1 369.849 3.468 20 5 FGBDMO CCCO[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000108392534 700525587 /nfs/dbraw/zinc/52/55/87/700525587.db2.gz IXCUGDCQQQVUGW-AWEZNQCLSA-N 1 1 369.849 3.468 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000127378955 700760853 /nfs/dbraw/zinc/76/08/53/700760853.db2.gz FBYIYKMYGZYFSG-CYBMUJFWSA-N 1 1 353.850 3.346 20 5 FGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)c1 ZINC000246607804 713627080 /nfs/dbraw/zinc/62/70/80/713627080.db2.gz HPEXXPGGHCEQMV-NVXWUHKLSA-N 1 1 362.813 3.435 20 5 FGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)c1 ZINC000246607804 713627081 /nfs/dbraw/zinc/62/70/81/713627081.db2.gz HPEXXPGGHCEQMV-NVXWUHKLSA-N 1 1 362.813 3.435 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)cs2)c1 ZINC000262148317 713720137 /nfs/dbraw/zinc/72/01/37/713720137.db2.gz ZRNOURUHNCIKRN-UHFFFAOYSA-N 1 1 358.467 3.294 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2nc(CN3CCC4(C3)CC[NH2+]CC4)cs2)c1 ZINC000262148317 713720139 /nfs/dbraw/zinc/72/01/39/713720139.db2.gz ZRNOURUHNCIKRN-UHFFFAOYSA-N 1 1 358.467 3.294 20 5 FGBDMO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCCC[C@@H]1C ZINC000522743255 714204106 /nfs/dbraw/zinc/20/41/06/714204106.db2.gz LCUVAPZRAMKCCW-STQMWFEESA-N 1 1 353.850 3.170 20 5 FGBDMO C[C@H](C[N@@H+](C)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)c1nccs1 ZINC000784036708 724815395 /nfs/dbraw/zinc/81/53/95/724815395.db2.gz GGXRKNHDLJIOSD-GFCCVEGCSA-N 1 1 358.427 3.003 20 5 FGBDMO CC(C)c1[nH+]ccn1CCNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000744408509 722576602 /nfs/dbraw/zinc/57/66/02/722576602.db2.gz VSUPDGGEJXSSIM-CYBMUJFWSA-N 1 1 362.455 3.212 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000746276651 722596766 /nfs/dbraw/zinc/59/67/66/722596766.db2.gz YMHUGEAYJQWMDV-ZDUSSCGKSA-N 1 1 353.850 3.346 20 5 FGBDMO C[N@H+]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000751287804 722801080 /nfs/dbraw/zinc/80/10/80/722801080.db2.gz IPJHLUAKHJNHLM-UHFFFAOYSA-N 1 1 351.834 3.339 20 5 FGBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000756967908 722972632 /nfs/dbraw/zinc/97/26/32/722972632.db2.gz WWHWDRRVPBBQLP-ZDUSSCGKSA-N 1 1 368.865 3.122 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790482249 723145087 /nfs/dbraw/zinc/14/50/87/723145087.db2.gz JKVSHUMYPIZIOT-GFCCVEGCSA-N 1 1 371.840 3.311 20 5 FGBDMO Cc1nn(C)c2nc(Cl)c(C[NH2+]Cc3cccc([N+](=O)[O-])c3C)cc12 ZINC000790999054 723203650 /nfs/dbraw/zinc/20/36/50/723203650.db2.gz MDRLNJHDLLXMCM-UHFFFAOYSA-N 1 1 359.817 3.437 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000791129602 723213199 /nfs/dbraw/zinc/21/31/99/723213199.db2.gz OSUHZXPGRSCZFA-DGCLKSJQSA-N 1 1 371.840 3.261 20 5 FGBDMO CCC[N@@H+](C)C[C@H]1CCN(c2cc(Cl)c(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000765514269 723519612 /nfs/dbraw/zinc/51/96/12/723519612.db2.gz OBUIMBQRRGARIX-GFCCVEGCSA-N 1 1 369.849 3.203 20 5 FGBDMO CCC[C@@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@H+]1CCOC ZINC000766973851 723601966 /nfs/dbraw/zinc/60/19/66/723601966.db2.gz VIELJNUGDRSVQT-OAHLLOKOSA-N 1 1 355.866 3.181 20 5 FGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)n1 ZINC000767874305 723637584 /nfs/dbraw/zinc/63/75/84/723637584.db2.gz DSQGWZZZOFHYRN-CYBMUJFWSA-N 1 1 354.332 3.300 20 5 FGBDMO CCC[C@]1(CO)CCC[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000775174912 723968492 /nfs/dbraw/zinc/96/84/92/723968492.db2.gz CJITYVMVVYCVKK-OAHLLOKOSA-N 1 1 357.248 3.484 20 5 FGBDMO CCC[C@]1(CO)CCC[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000775174912 723968494 /nfs/dbraw/zinc/96/84/94/723968494.db2.gz CJITYVMVVYCVKK-OAHLLOKOSA-N 1 1 357.248 3.484 20 5 FGBDMO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H](c2nccs2)c2ccccc2)cc1 ZINC000776586173 724162364 /nfs/dbraw/zinc/16/23/64/724162364.db2.gz CSMXPWSWEHWJOA-DLBZAZTESA-N 1 1 355.419 3.464 20 5 FGBDMO CC(C)(C)[C@H](O)C[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000808757456 725216285 /nfs/dbraw/zinc/21/62/85/725216285.db2.gz LZRHWJHLLITTJO-CQSZACIVSA-N 1 1 357.248 3.122 20 5 FGBDMO CC(C)(C)[C@H](O)C[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000808757456 725216288 /nfs/dbraw/zinc/21/62/88/725216288.db2.gz LZRHWJHLLITTJO-CQSZACIVSA-N 1 1 357.248 3.122 20 5 FGBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000809949475 725277919 /nfs/dbraw/zinc/27/79/19/725277919.db2.gz OHMJXANXDCHFOE-CQSZACIVSA-N 1 1 374.268 3.198 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000810484125 725310335 /nfs/dbraw/zinc/31/03/35/725310335.db2.gz ODVCOKAFNVQGHP-SCLBCKFNSA-N 1 1 351.422 3.293 20 5 FGBDMO C[C@@H]1C[C@H]1N1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1=O ZINC000811481599 725368479 /nfs/dbraw/zinc/36/84/79/725368479.db2.gz GWUZXFZBUHUXHC-XTWCZFFVSA-N 1 1 358.225 3.001 20 5 FGBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000811893098 725384153 /nfs/dbraw/zinc/38/41/53/725384153.db2.gz IPXYSABVINOWFK-GFCCVEGCSA-N 1 1 356.854 3.168 20 5 FGBDMO O=C1C[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CN1c1ccccc1F ZINC000812782370 726810880 /nfs/dbraw/zinc/81/08/80/726810880.db2.gz RQURIQFFWMGOSB-ZDUSSCGKSA-N 1 1 363.776 3.282 20 5 FGBDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCc1c(Cl)cccc1[N+](=O)[O-])C2 ZINC000821026461 729051603 /nfs/dbraw/zinc/05/16/03/729051603.db2.gz WLBXZANHARBQGT-SFHVURJKSA-N 1 1 365.861 3.125 20 5 FGBDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCc1c(Cl)cccc1[N+](=O)[O-])C2 ZINC000821026460 729051779 /nfs/dbraw/zinc/05/17/79/729051779.db2.gz WLBXZANHARBQGT-GOSISDBHSA-N 1 1 365.861 3.125 20 5 FGBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000822097220 729147130 /nfs/dbraw/zinc/14/71/30/729147130.db2.gz PLLNVBHTKQLUIP-INIZCTEOSA-N 1 1 357.435 3.103 20 5 FGBDMO O=C(O[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000835395781 729885716 /nfs/dbraw/zinc/88/57/16/729885716.db2.gz ITKCWZDUHPCYEZ-RYUDHWBXSA-N 1 1 358.316 3.397 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@@]4(CC4(F)F)C3)o2)cc1 ZINC000844436058 730717462 /nfs/dbraw/zinc/71/74/62/730717462.db2.gz POTQKSNKKZXXCU-OAHLLOKOSA-N 1 1 350.325 3.266 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@@]4(CC4(F)F)C3)o2)cc1 ZINC000844436058 730717465 /nfs/dbraw/zinc/71/74/65/730717465.db2.gz POTQKSNKKZXXCU-OAHLLOKOSA-N 1 1 350.325 3.266 20 5 FGBDMO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000844910847 730788363 /nfs/dbraw/zinc/78/83/63/730788363.db2.gz KJBPPLCRANKTQF-COXVUDFISA-N 1 1 353.850 3.109 20 5 FGBDMO Cc1c(Br)cc(C(=O)OCC[C@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000847824164 731097094 /nfs/dbraw/zinc/09/70/94/731097094.db2.gz OZTXVFBEIGEZFZ-LLVKDONJSA-N 1 1 371.231 3.164 20 5 FGBDMO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000855811138 731958498 /nfs/dbraw/zinc/95/84/98/731958498.db2.gz IZVBTXCJFAMIMC-ZDUSSCGKSA-N 1 1 351.834 3.385 20 5 FGBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000856281569 732003212 /nfs/dbraw/zinc/00/32/12/732003212.db2.gz HAHDZCKCXWZCMO-UHFFFAOYSA-N 1 1 359.829 3.166 20 5 FGBDMO C[N@H+]1CCC[C@H]2CN(c3cccc(Br)c3[N+](=O)[O-])CC[C@@H]21 ZINC000856736707 732050249 /nfs/dbraw/zinc/05/02/49/732050249.db2.gz RRSIHLBWQHRRKO-AAEUAGOBSA-N 1 1 354.248 3.278 20 5 FGBDMO C[C@H]1C[N@@H+](CCCNc2cccc(Br)c2[N+](=O)[O-])CCCO1 ZINC000856745575 732052500 /nfs/dbraw/zinc/05/25/00/732052500.db2.gz JBFWGBHCJOATTI-LBPRGKRZSA-N 1 1 372.263 3.270 20 5 FGBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000862630122 732858419 /nfs/dbraw/zinc/85/84/19/732858419.db2.gz SVFKKKGZQWQDSI-CQSZACIVSA-N 1 1 351.834 3.385 20 5 FGBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000862631696 732858869 /nfs/dbraw/zinc/85/88/69/732858869.db2.gz RZBNTVTWIPWXAR-CQSZACIVSA-N 1 1 351.834 3.385 20 5 FGBDMO CC[NH+]1CCN(C[C@@H](C)CNc2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000865450648 733203252 /nfs/dbraw/zinc/20/32/52/733203252.db2.gz PGGLLFZBMZTFLD-ZDUSSCGKSA-N 1 1 356.417 3.218 20 5 FGBDMO 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ZINC000023992200 494593594 /nfs/dbraw/zinc/59/35/94/494593594.db2.gz JTPJHTIFLMQXNY-UHFFFAOYSA-N 1 1 354.366 3.156 20 5 FGBDMO C[N@@H+](CCOc1ccccc1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000023992200 494593601 /nfs/dbraw/zinc/59/36/01/494593601.db2.gz JTPJHTIFLMQXNY-UHFFFAOYSA-N 1 1 354.366 3.156 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(Br)c1 ZINC000091479486 494606145 /nfs/dbraw/zinc/60/61/45/494606145.db2.gz GFPXUNLFFXHNGK-SNVBAGLBSA-N 1 1 351.204 3.464 20 5 FGBDMO CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000568597551 505732382 /nfs/dbraw/zinc/73/23/82/505732382.db2.gz UQFHNPXKKFGMEH-CQSZACIVSA-N 1 1 367.409 3.140 20 5 FGBDMO Cc1[nH+]ccn1-c1ncccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000047228032 494659727 /nfs/dbraw/zinc/65/97/27/494659727.db2.gz DIGKSEMGQZUFJG-UHFFFAOYSA-N 1 1 357.757 3.390 20 5 FGBDMO CCc1nn(C)c(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000091734693 494661424 /nfs/dbraw/zinc/66/14/24/494661424.db2.gz GINUNMJRVGRQTO-ZBFHGGJFSA-N 1 1 357.458 3.356 20 5 FGBDMO CCOc1cc(C[N@@H+](C)CC)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000126321368 494709802 /nfs/dbraw/zinc/70/98/02/494709802.db2.gz YYIHHHNJSUWROI-UHFFFAOYSA-N 1 1 362.430 3.029 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000067961115 494711030 /nfs/dbraw/zinc/71/10/30/494711030.db2.gz LRGLFGYKAZNDSM-GOSISDBHSA-N 1 1 356.426 3.407 20 5 FGBDMO COCc1cc([N+](=O)[O-])ccc1NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000080532996 494729621 /nfs/dbraw/zinc/72/96/21/494729621.db2.gz QOBAOKAKDWAVMU-IBGZPJMESA-N 1 1 371.437 3.054 20 5 FGBDMO COCc1cc([N+](=O)[O-])ccc1NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000080532996 494729632 /nfs/dbraw/zinc/72/96/32/494729632.db2.gz QOBAOKAKDWAVMU-IBGZPJMESA-N 1 1 371.437 3.054 20 5 FGBDMO CCN1CC[NH+](Cc2ccccc2CNc2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000080598289 494740962 /nfs/dbraw/zinc/74/09/62/494740962.db2.gz FBSSTMGGGGRLSA-UHFFFAOYSA-N 1 1 369.469 3.048 20 5 FGBDMO COc1ccc(C[N@H+]2CCCN(c3cc(C)c([N+](=O)[O-])cn3)CC2)cc1 ZINC000080597333 494741267 /nfs/dbraw/zinc/74/12/67/494741267.db2.gz NVGRRMBOZXKVBJ-UHFFFAOYSA-N 1 1 356.426 3.019 20 5 FGBDMO C[C@H]1C[C@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000131851698 494753785 /nfs/dbraw/zinc/75/37/85/494753785.db2.gz KNGABADATMCPHE-QFBILLFUSA-N 1 1 367.449 3.164 20 5 FGBDMO C[C@@H]1C[C@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000131869530 494758584 /nfs/dbraw/zinc/75/85/84/494758584.db2.gz FJAMZESQBCKOOX-GDBMZVCRSA-N 1 1 371.412 3.374 20 5 FGBDMO Cc1cccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000057475842 494759308 /nfs/dbraw/zinc/75/93/08/494759308.db2.gz FHOUQCKISJZJSI-MRXNPFEDSA-N 1 1 357.410 3.453 20 5 FGBDMO COc1cccc(C[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000026221985 494811010 /nfs/dbraw/zinc/81/10/10/494811010.db2.gz AMGYDUIWPDHYGR-UHFFFAOYSA-N 1 1 357.410 3.372 20 5 FGBDMO COc1cc(C[NH+]2CCC(OCC(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000092223178 494813923 /nfs/dbraw/zinc/81/39/23/494813923.db2.gz MSNXSAWYVQCNBK-UHFFFAOYSA-N 1 1 352.431 3.249 20 5 FGBDMO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000126663677 494814890 /nfs/dbraw/zinc/81/48/90/494814890.db2.gz HZWVXFHQNPLRKM-ORAYPTAESA-N 1 1 368.437 3.165 20 5 FGBDMO C[C@H](c1ccccc1Cl)[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000075685425 494815899 /nfs/dbraw/zinc/81/58/99/494815899.db2.gz KDFUUJHGSDESNB-IUODEOHRSA-N 1 1 364.833 3.031 20 5 FGBDMO O=C1[C@H]([N@H+]2CC[C@H](c3ccccc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000109131428 494836999 /nfs/dbraw/zinc/83/69/99/494836999.db2.gz GHSNFMMQKCCLGH-QFBILLFUSA-N 1 1 351.406 3.190 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cccc(F)c3Cl)C2)nc1 ZINC000093193619 494840824 /nfs/dbraw/zinc/84/08/24/494840824.db2.gz SHUQXPNCCHOIBF-LBPRGKRZSA-N 1 1 350.781 3.469 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cccc(F)c3Cl)C2)nc1 ZINC000093193619 494840826 /nfs/dbraw/zinc/84/08/26/494840826.db2.gz SHUQXPNCCHOIBF-LBPRGKRZSA-N 1 1 350.781 3.469 20 5 FGBDMO Cc1ccc(OCC[N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000027373622 494864719 /nfs/dbraw/zinc/86/47/19/494864719.db2.gz SRGDCOAQQSYWDX-UHFFFAOYSA-N 1 1 368.393 3.464 20 5 FGBDMO Cc1ccc(OCC[N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000027373622 494864723 /nfs/dbraw/zinc/86/47/23/494864723.db2.gz SRGDCOAQQSYWDX-UHFFFAOYSA-N 1 1 368.393 3.464 20 5 FGBDMO C[N@@H+](CCN1CCCC1=O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000093320208 494868560 /nfs/dbraw/zinc/86/85/60/494868560.db2.gz HAZLQGLMXNZYMN-UHFFFAOYSA-N 1 1 359.451 3.378 20 5 FGBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000132515941 494886186 /nfs/dbraw/zinc/88/61/86/494886186.db2.gz DXLROKURRCTLAO-HZMBPMFUSA-N 1 1 359.348 3.026 20 5 FGBDMO CCOc1ccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1OC ZINC000093534828 494898511 /nfs/dbraw/zinc/89/85/11/494898511.db2.gz QWDNUKCIRBZRTO-HNNXBMFYSA-N 1 1 372.425 3.084 20 5 FGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000127566096 494963523 /nfs/dbraw/zinc/96/35/23/494963523.db2.gz UVSAFQVRELLIEI-ZDUSSCGKSA-N 1 1 369.450 3.483 20 5 FGBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000133162897 494979311 /nfs/dbraw/zinc/97/93/11/494979311.db2.gz INYGKISSIJWXPG-UHFFFAOYSA-N 1 1 355.438 3.164 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@@H]3CCCC[C@@H]3n3cccn3)n2)c1 ZINC000127824085 495003677 /nfs/dbraw/zinc/00/36/77/495003677.db2.gz CQKMMVUWBAIUHR-CVEARBPZSA-N 1 1 368.397 3.115 20 5 FGBDMO Cc1[nH+]ccn1CCCCNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000122644472 495009030 /nfs/dbraw/zinc/00/90/30/495009030.db2.gz PWYPZMVHUUQSGQ-UHFFFAOYSA-N 1 1 371.441 3.254 20 5 FGBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000110975844 495027002 /nfs/dbraw/zinc/02/70/02/495027002.db2.gz RLDMTXLTQYGSKR-CQSZACIVSA-N 1 1 363.458 3.234 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(CC[NH+](C)C)CC1 ZINC000118868124 495051054 /nfs/dbraw/zinc/05/10/54/495051054.db2.gz IYXXAQNGRNSDQN-CQSZACIVSA-N 1 1 373.457 3.370 20 5 FGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(CC[NH+](C)C)CC1 ZINC000118868123 495051174 /nfs/dbraw/zinc/05/11/74/495051174.db2.gz IYXXAQNGRNSDQN-AWEZNQCLSA-N 1 1 373.457 3.370 20 5 FGBDMO Cc1c(C[N@@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000101920528 495108519 /nfs/dbraw/zinc/10/85/19/495108519.db2.gz UXFNTJQQUCWFPB-QGZVFWFLSA-N 1 1 372.400 3.438 20 5 FGBDMO Cc1c(C[N@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000101920528 495108523 /nfs/dbraw/zinc/10/85/23/495108523.db2.gz UXFNTJQQUCWFPB-QGZVFWFLSA-N 1 1 372.400 3.438 20 5 FGBDMO C[C@]12CCC[N@@H+]1C[C@@H](c1noc(/C=C/c3ccc([N+](=O)[O-])cc3)n1)OC2 ZINC000571565831 505762727 /nfs/dbraw/zinc/76/27/27/505762727.db2.gz JWGXPHXPBUGDCP-YUOUUPDRSA-N 1 1 356.382 3.074 20 5 FGBDMO C[C@]12CCC[N@H+]1C[C@@H](c1noc(/C=C/c3ccc([N+](=O)[O-])cc3)n1)OC2 ZINC000571565831 505762730 /nfs/dbraw/zinc/76/27/30/505762730.db2.gz JWGXPHXPBUGDCP-YUOUUPDRSA-N 1 1 356.382 3.074 20 5 FGBDMO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000134274708 495129153 /nfs/dbraw/zinc/12/91/53/495129153.db2.gz PWOMMHBLUZSGQF-INIZCTEOSA-N 1 1 371.412 3.028 20 5 FGBDMO CCS[C@@H]1CCCC[N@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000112089749 495143378 /nfs/dbraw/zinc/14/33/78/495143378.db2.gz QVVKXMMZAJUDJE-CQSZACIVSA-N 1 1 367.471 3.150 20 5 FGBDMO CCS[C@@H]1CCCC[N@@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000112089749 495143379 /nfs/dbraw/zinc/14/33/79/495143379.db2.gz QVVKXMMZAJUDJE-CQSZACIVSA-N 1 1 367.471 3.150 20 5 FGBDMO CC[C@@H](O)C[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccccc1 ZINC000134479059 495156165 /nfs/dbraw/zinc/15/61/65/495156165.db2.gz CMVBYRGHCUZBKV-GOSISDBHSA-N 1 1 371.437 3.115 20 5 FGBDMO CC[C@@H](O)C[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccccc1 ZINC000134479059 495156169 /nfs/dbraw/zinc/15/61/69/495156169.db2.gz CMVBYRGHCUZBKV-GOSISDBHSA-N 1 1 371.437 3.115 20 5 FGBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000119515896 495180801 /nfs/dbraw/zinc/18/08/01/495180801.db2.gz ZOELKOBVYDJAEG-NVXWUHKLSA-N 1 1 359.470 3.449 20 5 FGBDMO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000103132240 495196485 /nfs/dbraw/zinc/19/64/85/495196485.db2.gz IEQSBDXQCDGXRA-SFHVURJKSA-N 1 1 367.449 3.198 20 5 FGBDMO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000103132465 495196798 /nfs/dbraw/zinc/19/67/98/495196798.db2.gz PXSHWKYIZDOUMD-INIZCTEOSA-N 1 1 371.412 3.028 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@H](O)COCc1cccs1)C1CC1 ZINC000135237205 495267210 /nfs/dbraw/zinc/26/72/10/495267210.db2.gz WAZPXUNAHZKZOY-INIZCTEOSA-N 1 1 362.451 3.198 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+](C[C@H]3CCOC3)C3CC3)o2)c1 ZINC000104674098 495295774 /nfs/dbraw/zinc/29/57/74/495295774.db2.gz DCEVJHFDGXWYBU-CQSZACIVSA-N 1 1 357.410 3.293 20 5 FGBDMO Cn1cc([C@@H]2CCC[N@H+]2CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cn1 ZINC000104695013 495297395 /nfs/dbraw/zinc/29/73/95/495297395.db2.gz YEXUNOXKKGXXSK-KRWDZBQOSA-N 1 1 367.409 3.363 20 5 FGBDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000130643211 495423867 /nfs/dbraw/zinc/42/38/67/495423867.db2.gz LPJTVKKTPPLHRD-INIZCTEOSA-N 1 1 358.398 3.138 20 5 FGBDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000130643211 495423872 /nfs/dbraw/zinc/42/38/72/495423872.db2.gz LPJTVKKTPPLHRD-INIZCTEOSA-N 1 1 358.398 3.138 20 5 FGBDMO CCOC(=O)c1ccc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000130742831 495438546 /nfs/dbraw/zinc/43/85/46/495438546.db2.gz OSJMTTXMQMYVQO-UHFFFAOYSA-N 1 1 374.393 3.408 20 5 FGBDMO Cc1cccc(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000137457896 495441853 /nfs/dbraw/zinc/44/18/53/495441853.db2.gz NFNRJRRCZVGPHM-NVXWUHKLSA-N 1 1 353.422 3.296 20 5 FGBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000130950943 495470842 /nfs/dbraw/zinc/47/08/42/495470842.db2.gz RHMZRECUQIIRGZ-DLBZAZTESA-N 1 1 374.828 3.127 20 5 FGBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000130950943 495470847 /nfs/dbraw/zinc/47/08/47/495470847.db2.gz RHMZRECUQIIRGZ-DLBZAZTESA-N 1 1 374.828 3.127 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCc2ccccc2C1 ZINC000106887803 495506510 /nfs/dbraw/zinc/50/65/10/495506510.db2.gz UKLSWMMTYWMDLU-UHFFFAOYSA-N 1 1 369.421 3.380 20 5 FGBDMO C[C@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000173508658 495564758 /nfs/dbraw/zinc/56/47/58/495564758.db2.gz FBIDFIUAWGUTKS-KRWDZBQOSA-N 1 1 367.449 3.260 20 5 FGBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182604233 495633609 /nfs/dbraw/zinc/63/36/09/495633609.db2.gz INWGKOIMBFSDJJ-LLVKDONJSA-N 1 1 359.879 3.187 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H](OCCO)C2)s1 ZINC000179574966 495647215 /nfs/dbraw/zinc/64/72/15/495647215.db2.gz TZMJCVXOAITHRB-CQSZACIVSA-N 1 1 362.451 3.297 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@H+](C)CCOCc2ccccc2)cccc1[N+](=O)[O-] ZINC000154625678 495676000 /nfs/dbraw/zinc/67/60/00/495676000.db2.gz BJCMTQKKCAOLLV-INIZCTEOSA-N 1 1 371.437 3.379 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@@H+](C)CCOCc2ccccc2)cccc1[N+](=O)[O-] ZINC000154625678 495676003 /nfs/dbraw/zinc/67/60/03/495676003.db2.gz BJCMTQKKCAOLLV-INIZCTEOSA-N 1 1 371.437 3.379 20 5 FGBDMO CCS[C@H]1CC[C@H]([N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000173871595 495726785 /nfs/dbraw/zinc/72/67/85/495726785.db2.gz JPUTWDXIDSEUCI-HOCLYGCPSA-N 1 1 363.483 3.090 20 5 FGBDMO COc1cc(C[N@@H+](C)C[C@@H]2CCCOC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180086252 495852601 /nfs/dbraw/zinc/85/26/01/495852601.db2.gz YWQKOCGRPIGBDB-LBPRGKRZSA-N 1 1 374.384 3.106 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000180230801 495916670 /nfs/dbraw/zinc/91/66/70/495916670.db2.gz GZKNBJYRVBYOFJ-HIFRSBDPSA-N 1 1 363.483 3.404 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000183292783 495917863 /nfs/dbraw/zinc/91/78/63/495917863.db2.gz MKZLTLHXOPDWHJ-UHFFFAOYSA-N 1 1 359.451 3.313 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000183292783 495917866 /nfs/dbraw/zinc/91/78/66/495917866.db2.gz MKZLTLHXOPDWHJ-UHFFFAOYSA-N 1 1 359.451 3.313 20 5 FGBDMO CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186310272 495941351 /nfs/dbraw/zinc/94/13/51/495941351.db2.gz SYRUQNVHSXKPJT-FQEVSTJZSA-N 1 1 367.449 3.260 20 5 FGBDMO CO[C@@]1(C)C[C@H]([N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000174482337 495978469 /nfs/dbraw/zinc/97/84/69/495978469.db2.gz JNPAHJQYGQRJRB-KSSFIOAISA-N 1 1 360.414 3.280 20 5 FGBDMO CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000174482337 495978478 /nfs/dbraw/zinc/97/84/78/495978478.db2.gz JNPAHJQYGQRJRB-KSSFIOAISA-N 1 1 360.414 3.280 20 5 FGBDMO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000174548253 496003854 /nfs/dbraw/zinc/00/38/54/496003854.db2.gz KYJAFHPWRSHSTC-OAHLLOKOSA-N 1 1 359.430 3.026 20 5 FGBDMO C[NH+](C)[C@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccccc1Cl ZINC000177287961 496006999 /nfs/dbraw/zinc/00/69/99/496006999.db2.gz XLVSSVQEEUNLRY-MRXNPFEDSA-N 1 1 365.792 3.420 20 5 FGBDMO Cc1csc([C@@H]([NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C2CC2)n1 ZINC000183546637 496025971 /nfs/dbraw/zinc/02/59/71/496025971.db2.gz GOVHUWZDGNGATG-HOTGVXAUSA-N 1 1 372.450 3.206 20 5 FGBDMO C[C@@H]1C[NH+](CCC2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)C[C@@H](C)O1 ZINC000177501401 496087460 /nfs/dbraw/zinc/08/74/60/496087460.db2.gz RCHMQACUGRANDK-IAGOWNOFSA-N 1 1 361.486 3.306 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c([N+](=O)[O-])cc1F ZINC000186709835 496115946 /nfs/dbraw/zinc/11/59/46/496115946.db2.gz OMORRXIEQTVJPX-IBGZPJMESA-N 1 1 358.369 3.374 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c([N+](=O)[O-])cc1F ZINC000186709835 496115948 /nfs/dbraw/zinc/11/59/48/496115948.db2.gz OMORRXIEQTVJPX-IBGZPJMESA-N 1 1 358.369 3.374 20 5 FGBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000152334921 496119810 /nfs/dbraw/zinc/11/98/10/496119810.db2.gz SVUYBTVJEULZDC-RISCZKNCSA-N 1 1 352.822 3.196 20 5 FGBDMO O=C(CC1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000174821373 496120739 /nfs/dbraw/zinc/12/07/39/496120739.db2.gz UJRYMDZVRSMSPB-UHFFFAOYSA-N 1 1 365.861 3.473 20 5 FGBDMO C[C@H](C[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1nccs1 ZINC000183945077 496171716 /nfs/dbraw/zinc/17/17/16/496171716.db2.gz KWXFLQSUORILNF-LLVKDONJSA-N 1 1 359.411 3.337 20 5 FGBDMO C[C@H](C[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1nccs1 ZINC000183945077 496171717 /nfs/dbraw/zinc/17/17/17/496171717.db2.gz KWXFLQSUORILNF-LLVKDONJSA-N 1 1 359.411 3.337 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000156390557 496232149 /nfs/dbraw/zinc/23/21/49/496232149.db2.gz LTOHYTOVSMOORK-KSSFIOAISA-N 1 1 358.442 3.384 20 5 FGBDMO C[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1c1cccc(F)c1 ZINC000175153291 496268375 /nfs/dbraw/zinc/26/83/75/496268375.db2.gz WQJFUOCCBYVTNN-SGTLLEGYSA-N 1 1 357.385 3.416 20 5 FGBDMO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000175272499 496316735 /nfs/dbraw/zinc/31/67/35/496316735.db2.gz CFCZZXOLBQEEKJ-RHSMWYFYSA-N 1 1 369.421 3.083 20 5 FGBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000175284649 496322925 /nfs/dbraw/zinc/32/29/25/496322925.db2.gz CUJGUTPOAILLJN-INIZCTEOSA-N 1 1 357.410 3.172 20 5 FGBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000153092098 496350043 /nfs/dbraw/zinc/35/00/43/496350043.db2.gz OBBXECLITABESI-UHFFFAOYSA-N 1 1 359.401 3.374 20 5 FGBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H](COc3ccccc3Cl)C2)c1 ZINC000157001174 496382602 /nfs/dbraw/zinc/38/26/02/496382602.db2.gz NZYCQMFEORMRLL-AWEZNQCLSA-N 1 1 364.833 3.236 20 5 FGBDMO O=[N+]([O-])c1cccc(C[N@H+](C[C@@H](O)COc2ccc(F)cc2)C2CC2)c1 ZINC000153231838 496390568 /nfs/dbraw/zinc/39/05/68/496390568.db2.gz AEXCFSVBVAAEES-GOSISDBHSA-N 1 1 360.385 3.138 20 5 FGBDMO Cc1cccc(C)c1OC[C@H](O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153241788 496394729 /nfs/dbraw/zinc/39/47/29/496394729.db2.gz SFQOBWLOCVTFLF-QGZVFWFLSA-N 1 1 356.422 3.010 20 5 FGBDMO Cc1cccc(C)c1OC[C@H](O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153241788 496394733 /nfs/dbraw/zinc/39/47/33/496394733.db2.gz SFQOBWLOCVTFLF-QGZVFWFLSA-N 1 1 356.422 3.010 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)c1 ZINC000172771565 496423589 /nfs/dbraw/zinc/42/35/89/496423589.db2.gz ARPRPGDFKLQSAW-CYBMUJFWSA-N 1 1 359.451 3.141 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)c1 ZINC000172771565 496423592 /nfs/dbraw/zinc/42/35/92/496423592.db2.gz ARPRPGDFKLQSAW-CYBMUJFWSA-N 1 1 359.451 3.141 20 5 FGBDMO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000153375972 496435677 /nfs/dbraw/zinc/43/56/77/496435677.db2.gz DUJQOEXCLVBXCE-GZWGRDOWSA-N 1 1 355.438 3.083 20 5 FGBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000175622106 496468639 /nfs/dbraw/zinc/46/86/39/496468639.db2.gz KMCUAIRTPIMJNU-HOCLYGCPSA-N 1 1 360.458 3.140 20 5 FGBDMO CCc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000153559831 496497853 /nfs/dbraw/zinc/49/78/53/496497853.db2.gz CKLULBSEEYNTEI-FUHWJXTLSA-N 1 1 357.454 3.246 20 5 FGBDMO O=C(c1ccccc1)C1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000178570347 496502467 /nfs/dbraw/zinc/50/24/67/496502467.db2.gz VLDUPJQZSDBIRA-LJQANCHMSA-N 1 1 354.406 3.223 20 5 FGBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000153656183 496534433 /nfs/dbraw/zinc/53/44/33/496534433.db2.gz QYVFCIVWEPQXLW-INIZCTEOSA-N 1 1 374.485 3.175 20 5 FGBDMO COC(=O)[C@H](C)C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000153726479 496558328 /nfs/dbraw/zinc/55/83/28/496558328.db2.gz CRHZLTHCXCXEJV-CYBMUJFWSA-N 1 1 373.409 3.066 20 5 FGBDMO COC(=O)[C@@H](C)C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000153726370 496559053 /nfs/dbraw/zinc/55/90/53/496559053.db2.gz CRHZLTHCXCXEJV-ZDUSSCGKSA-N 1 1 373.409 3.066 20 5 FGBDMO C[N@@H+](CCc1ccc(Cl)cc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181881943 496584870 /nfs/dbraw/zinc/58/48/70/496584870.db2.gz OOPKDMCNAGJZDT-INIZCTEOSA-N 1 1 364.829 3.162 20 5 FGBDMO C[C@H](C(=O)NCCC[N@H+]1CCCC[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000184937137 496592463 /nfs/dbraw/zinc/59/24/63/496592463.db2.gz MTDGXNHPQWNEPY-KGLIPLIRSA-N 1 1 351.422 3.218 20 5 FGBDMO COc1ccccc1[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000157959182 496594849 /nfs/dbraw/zinc/59/48/49/496594849.db2.gz GSTPVIAMFKKHCS-GJZGRUSLSA-N 1 1 369.421 3.420 20 5 FGBDMO COc1ccccc1[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000157959182 496594856 /nfs/dbraw/zinc/59/48/56/496594856.db2.gz GSTPVIAMFKKHCS-GJZGRUSLSA-N 1 1 369.421 3.420 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000153861782 496605750 /nfs/dbraw/zinc/60/57/50/496605750.db2.gz UMBRZGYVKSCULK-HNNXBMFYSA-N 1 1 372.469 3.389 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000185019679 496625523 /nfs/dbraw/zinc/62/55/23/496625523.db2.gz QDBYYZXUVREFEQ-WBVHZDCISA-N 1 1 359.426 3.176 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C1Cc2ccccc2C1 ZINC000165936576 496673402 /nfs/dbraw/zinc/67/34/02/496673402.db2.gz WXWQAPHYAWCXFX-UHFFFAOYSA-N 1 1 353.422 3.331 20 5 FGBDMO CSc1cccc(C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000188080147 496674928 /nfs/dbraw/zinc/67/49/28/496674928.db2.gz PCKDFSSVFYFZFQ-QWHCGFSZSA-N 1 1 351.472 3.167 20 5 FGBDMO C[C@@H]1C[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000176113670 496689219 /nfs/dbraw/zinc/68/92/19/496689219.db2.gz OYISWSJDMQZJQU-VQIMIIECSA-N 1 1 367.449 3.307 20 5 FGBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000176127402 496696380 /nfs/dbraw/zinc/69/63/80/496696380.db2.gz VCOSBZFOIDHARD-PBHICJAKSA-N 1 1 368.437 3.081 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000182200944 496705751 /nfs/dbraw/zinc/70/57/51/496705751.db2.gz WXPWVQRBECMUAO-ROUUACIJSA-N 1 1 356.422 3.042 20 5 FGBDMO COc1cc(CCNc2[nH+]c3ccccc3n2C)c([N+](=O)[O-])cc1OC ZINC000179280232 496725689 /nfs/dbraw/zinc/72/56/89/496725689.db2.gz UZKUEDLMQINMLP-UHFFFAOYSA-N 1 1 356.382 3.153 20 5 FGBDMO C[N@H+]1CCN(CCNc2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1(C)C ZINC000574832576 505864032 /nfs/dbraw/zinc/86/40/32/505864032.db2.gz ZUSPZFPGGSCIHO-UHFFFAOYSA-N 1 1 361.273 3.340 20 5 FGBDMO COc1ccc(CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000268801347 496789751 /nfs/dbraw/zinc/78/97/51/496789751.db2.gz GIILOIICWXTDNC-OAHLLOKOSA-N 1 1 373.453 3.395 20 5 FGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(c2ccncc2)CC1 ZINC000191602773 496828278 /nfs/dbraw/zinc/82/82/78/496828278.db2.gz TUUXULLFARBLFW-AWEZNQCLSA-N 1 1 354.410 3.196 20 5 FGBDMO CCn1nc(C)c([N+](=O)[O-])c1NCCc1[nH+]ccn1Cc1ccccc1 ZINC000195343951 496896180 /nfs/dbraw/zinc/89/61/80/496896180.db2.gz GVJPAZXYFYNWND-UHFFFAOYSA-N 1 1 354.414 3.019 20 5 FGBDMO COc1cc(C[NH2+]Cc2ccoc2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000195422183 496919117 /nfs/dbraw/zinc/91/91/17/496919117.db2.gz PNBUZQSESGHHQV-UHFFFAOYSA-N 1 1 360.288 3.427 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000247975497 496936014 /nfs/dbraw/zinc/93/60/14/496936014.db2.gz GIEAHFUPFNOJEX-MAUKXSAKSA-N 1 1 370.409 3.170 20 5 FGBDMO CSc1ccc(C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000195621255 496954444 /nfs/dbraw/zinc/95/44/44/496954444.db2.gz ZIOBOEFCZFCKMB-CHWSQXEVSA-N 1 1 351.472 3.167 20 5 FGBDMO COc1cc(C)c(C[N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000195718782 496961470 /nfs/dbraw/zinc/96/14/70/496961470.db2.gz WWLLSYWXAGGYJH-UHFFFAOYSA-N 1 1 360.410 3.431 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000248372526 496985744 /nfs/dbraw/zinc/98/57/44/496985744.db2.gz ANKGKGCZVBHCTL-ROUUACIJSA-N 1 1 374.412 3.181 20 5 FGBDMO COc1ccc([C@@H](C)[N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000248374732 496985871 /nfs/dbraw/zinc/98/58/71/496985871.db2.gz SVNPNJKWJYHBQQ-GDBMZVCRSA-N 1 1 360.410 3.036 20 5 FGBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000248545492 497035720 /nfs/dbraw/zinc/03/57/20/497035720.db2.gz DKQAVRDPSBPBQH-ZIAGYGMSSA-N 1 1 351.422 3.028 20 5 FGBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000278210811 497039286 /nfs/dbraw/zinc/03/92/86/497039286.db2.gz SUTRTAZFGZBKQR-UHFFFAOYSA-N 1 1 356.382 3.374 20 5 FGBDMO Cn1ccnc1[C@@H](NC[C@@H]1CCCC[N@H+]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000278313504 497071527 /nfs/dbraw/zinc/07/15/27/497071527.db2.gz FJARDTYWZWRWKJ-OALUTQOASA-N 1 1 369.469 3.024 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000248720265 497088220 /nfs/dbraw/zinc/08/82/20/497088220.db2.gz CFKCQBFYHJLYLN-DNVCBOLYSA-N 1 1 353.422 3.154 20 5 FGBDMO C[C@@](O)(C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(F)(F)F ZINC000270442643 497129755 /nfs/dbraw/zinc/12/97/55/497129755.db2.gz AOKHWOHDZACJAO-CYBMUJFWSA-N 1 1 361.345 3.121 20 5 FGBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000192559951 497149484 /nfs/dbraw/zinc/14/94/84/497149484.db2.gz YSMGYVGMNLPXAJ-UHFFFAOYSA-N 1 1 371.485 3.468 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@@H](CC(F)(F)F)C3)n2)c1 ZINC000278811012 497227922 /nfs/dbraw/zinc/22/79/22/497227922.db2.gz PDMVZEOZLCKVDL-JTQLQIEISA-N 1 1 356.304 3.419 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@@H](CC(F)(F)F)C3)n2)c1 ZINC000278811012 497227926 /nfs/dbraw/zinc/22/79/26/497227926.db2.gz PDMVZEOZLCKVDL-JTQLQIEISA-N 1 1 356.304 3.419 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000251533433 497275913 /nfs/dbraw/zinc/27/59/13/497275913.db2.gz NDNVMLGFIFPMKB-GDBMZVCRSA-N 1 1 369.421 3.169 20 5 FGBDMO O=C(NCc1ccco1)c1cccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC000238041913 497332520 /nfs/dbraw/zinc/33/25/20/497332520.db2.gz ZBEIUVBPFUAUJQ-UHFFFAOYSA-N 1 1 371.418 3.469 20 5 FGBDMO Cc1cc(NC(=O)N2CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000193511772 497399769 /nfs/dbraw/zinc/39/97/69/497399769.db2.gz DQAAOSXJPIWUAU-UHFFFAOYSA-N 1 1 354.410 3.253 20 5 FGBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)C[C@@H]1CCCCO1 ZINC000266756163 497412978 /nfs/dbraw/zinc/41/29/78/497412978.db2.gz UOIIXDXCWVSQRK-AAEUAGOBSA-N 1 1 355.822 3.076 20 5 FGBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000266756163 497412982 /nfs/dbraw/zinc/41/29/82/497412982.db2.gz UOIIXDXCWVSQRK-AAEUAGOBSA-N 1 1 355.822 3.076 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000275792461 497432849 /nfs/dbraw/zinc/43/28/49/497432849.db2.gz JYHXCHYTAZHEFO-OCCSQVGLSA-N 1 1 353.850 3.359 20 5 FGBDMO C[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C1=CC[N@@H+](C)CC1 ZINC000276037934 497485370 /nfs/dbraw/zinc/48/53/70/497485370.db2.gz XFUKPUBZKXUWJC-AWEZNQCLSA-N 1 1 361.445 3.474 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000193810008 497489462 /nfs/dbraw/zinc/48/94/62/497489462.db2.gz WNGXFINHPVCKAQ-QGZVFWFLSA-N 1 1 353.422 3.155 20 5 FGBDMO O=C(Nc1ccccc1O)C1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000193956043 497532667 /nfs/dbraw/zinc/53/26/67/497532667.db2.gz XFVVKPIPAYDUMS-UHFFFAOYSA-N 1 1 373.384 3.290 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000245976234 497588366 /nfs/dbraw/zinc/58/83/66/497588366.db2.gz OTVXVEXQPLPYLW-USXIJHARSA-N 1 1 360.458 3.090 20 5 FGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000246261674 497676560 /nfs/dbraw/zinc/67/65/60/497676560.db2.gz LGDOVCLDWZBQOV-BHYGNILZSA-N 1 1 362.451 3.278 20 5 FGBDMO C[C@@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272736638 497717383 /nfs/dbraw/zinc/71/73/83/497717383.db2.gz LPSVAYZIRMBPCG-WBVHZDCISA-N 1 1 374.485 3.090 20 5 FGBDMO CO[C@@]1(C)CCC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000280345038 497726490 /nfs/dbraw/zinc/72/64/90/497726490.db2.gz SJJMBNUKXSFKRT-IBGZPJMESA-N 1 1 358.442 3.386 20 5 FGBDMO CCOc1cc(C[N@@H+](C)[C@@H](CC(N)=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000280522497 497780384 /nfs/dbraw/zinc/78/03/84/497780384.db2.gz OIBRKICCIAYKJS-KRWDZBQOSA-N 1 1 357.410 3.042 20 5 FGBDMO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1 ZINC000273060569 497793026 /nfs/dbraw/zinc/79/30/26/497793026.db2.gz LJMQSTDVJCLODY-GFCCVEGCSA-N 1 1 374.393 3.329 20 5 FGBDMO CO[C@]1(C)CCC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000280620783 497828627 /nfs/dbraw/zinc/82/86/27/497828627.db2.gz WNNRNJJLPCSDGM-SJKOYZFVSA-N 1 1 369.849 3.466 20 5 FGBDMO CO[C@]1(C)CCC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000280620783 497828631 /nfs/dbraw/zinc/82/86/31/497828631.db2.gz WNNRNJJLPCSDGM-SJKOYZFVSA-N 1 1 369.849 3.466 20 5 FGBDMO CNC(=O)c1ccc(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000301057005 497931911 /nfs/dbraw/zinc/93/19/11/497931911.db2.gz AEUFHYCSYMHGJK-QGZVFWFLSA-N 1 1 368.437 3.031 20 5 FGBDMO CC(=O)NCC[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000581311548 505958454 /nfs/dbraw/zinc/95/84/54/505958454.db2.gz OLXZCPCZEGZYBH-UHFFFAOYSA-N 1 1 351.790 3.076 20 5 FGBDMO COc1cccc([C@@H](C)[NH+]2CCN(c3ncc([N+](=O)[O-])cc3C)CC2)c1 ZINC000301182740 497988335 /nfs/dbraw/zinc/98/83/35/497988335.db2.gz IMEANTFWPZALRG-OAHLLOKOSA-N 1 1 356.426 3.190 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCCNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000301360399 498074071 /nfs/dbraw/zinc/07/40/71/498074071.db2.gz NSVXYTKULZVMOC-AWEZNQCLSA-N 1 1 362.430 3.228 20 5 FGBDMO C[C@](CO)([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000285419016 498078446 /nfs/dbraw/zinc/07/84/46/498078446.db2.gz JOCKQYZXBFDGFA-CQSZACIVSA-N 1 1 371.256 3.416 20 5 FGBDMO Cc1noc(C)c1C(C)(C)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000285574352 498134945 /nfs/dbraw/zinc/13/49/45/498134945.db2.gz IDUBBUFIHIWKHT-UHFFFAOYSA-N 1 1 366.805 3.316 20 5 FGBDMO Cc1noc([C@@H]2CCCC[N@@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1 ZINC000285618826 498150337 /nfs/dbraw/zinc/15/03/37/498150337.db2.gz KPJKFCGMTPKCEH-INIZCTEOSA-N 1 1 373.413 3.150 20 5 FGBDMO Cc1noc([C@@H]2CCCC[N@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1 ZINC000285618826 498150343 /nfs/dbraw/zinc/15/03/43/498150343.db2.gz KPJKFCGMTPKCEH-INIZCTEOSA-N 1 1 373.413 3.150 20 5 FGBDMO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285640851 498156336 /nfs/dbraw/zinc/15/63/36/498156336.db2.gz DGFQPRKMAGFNEL-IBGZPJMESA-N 1 1 371.462 3.395 20 5 FGBDMO Cc1ccn(C2CC[NH+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)n1 ZINC000364891300 498194708 /nfs/dbraw/zinc/19/47/08/498194708.db2.gz XZBHMLOQEATQMK-HNNXBMFYSA-N 1 1 371.441 3.072 20 5 FGBDMO CC[C@@H](Nc1ccc([N+](=O)[O-])cn1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000301627053 498196074 /nfs/dbraw/zinc/19/60/74/498196074.db2.gz BAZHCMQKNXKCBA-MSOLQXFVSA-N 1 1 356.426 3.081 20 5 FGBDMO CC[C@@H](Nc1ccc([N+](=O)[O-])cn1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000301627053 498196079 /nfs/dbraw/zinc/19/60/79/498196079.db2.gz BAZHCMQKNXKCBA-MSOLQXFVSA-N 1 1 356.426 3.081 20 5 FGBDMO CC[C@H](Nc1ncccc1[N+](=O)[O-])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000301667386 498213435 /nfs/dbraw/zinc/21/34/35/498213435.db2.gz OYZLAYWBOBZDHA-WMZOPIPTSA-N 1 1 356.426 3.081 20 5 FGBDMO CC[C@H](Nc1ncccc1[N+](=O)[O-])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000301667386 498213439 /nfs/dbraw/zinc/21/34/39/498213439.db2.gz OYZLAYWBOBZDHA-WMZOPIPTSA-N 1 1 356.426 3.081 20 5 FGBDMO C[N@@H+](CCNc1ncc(Br)cc1[N+](=O)[O-])C1CCCCC1 ZINC000301694702 498226824 /nfs/dbraw/zinc/22/68/24/498226824.db2.gz PALQYVJXLSKUIE-UHFFFAOYSA-N 1 1 357.252 3.429 20 5 FGBDMO Cc1ccnc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)c1 ZINC000581496921 506001941 /nfs/dbraw/zinc/00/19/41/506001941.db2.gz FSMQLWWCDFZKOI-LSDHHAIUSA-N 1 1 354.410 3.115 20 5 FGBDMO Cc1ccnc([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)c1 ZINC000581496921 506001942 /nfs/dbraw/zinc/00/19/42/506001942.db2.gz FSMQLWWCDFZKOI-LSDHHAIUSA-N 1 1 354.410 3.115 20 5 FGBDMO Cn1cc[nH+]c1C[C@@H]1CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000301734394 498244293 /nfs/dbraw/zinc/24/42/93/498244293.db2.gz ZITJBXCODJBQDZ-AWEZNQCLSA-N 1 1 351.410 3.336 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)c(F)c1 ZINC000301742828 498248923 /nfs/dbraw/zinc/24/89/23/498248923.db2.gz YWSSXXXFKIPAMF-BEFAXECRSA-N 1 1 359.401 3.029 20 5 FGBDMO COc1cc(C(=O)N2CCC([N@H+]3CCC[C@@H]3C)CC2)cc([N+](=O)[O-])c1C ZINC000365056074 498275356 /nfs/dbraw/zinc/27/53/56/498275356.db2.gz XVPCKPWYEYAIQP-ZDUSSCGKSA-N 1 1 361.442 3.001 20 5 FGBDMO COCCOC[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000289761925 498282006 /nfs/dbraw/zinc/28/20/06/498282006.db2.gz JQNNNCPHJQVAEG-NSHDSACASA-N 1 1 363.241 3.387 20 5 FGBDMO COCCOC[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000289761925 498282009 /nfs/dbraw/zinc/28/20/09/498282009.db2.gz JQNNNCPHJQVAEG-NSHDSACASA-N 1 1 363.241 3.387 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1 ZINC000581540184 506011215 /nfs/dbraw/zinc/01/12/15/506011215.db2.gz OWNCXAMELBPZOX-IIYDPXPESA-N 1 1 363.483 3.119 20 5 FGBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000331715502 498429275 /nfs/dbraw/zinc/42/92/75/498429275.db2.gz NUDIYMQHUYVIQH-STQMWFEESA-N 1 1 369.874 3.083 20 5 FGBDMO C[C@@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC[N@H+](C2CCC2)C1 ZINC000293750576 498477142 /nfs/dbraw/zinc/47/71/42/498477142.db2.gz SKNFJRPSEXLOPI-ZDUSSCGKSA-N 1 1 356.426 3.023 20 5 FGBDMO C[C@@H](c1nc([C@H]2C[N@@H+]3CCC[C@]3(C)CO2)no1)c1cccc([N+](=O)[O-])c1 ZINC000575977486 506047627 /nfs/dbraw/zinc/04/76/27/506047627.db2.gz HCFDULJYGGQMLP-CDHAZOANSA-N 1 1 358.398 3.055 20 5 FGBDMO C[C@@H](c1nc([C@H]2C[N@H+]3CCC[C@]3(C)CO2)no1)c1cccc([N+](=O)[O-])c1 ZINC000575977486 506047631 /nfs/dbraw/zinc/04/76/31/506047631.db2.gz HCFDULJYGGQMLP-CDHAZOANSA-N 1 1 358.398 3.055 20 5 FGBDMO Cc1cc(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc(N2CCCC2)[nH+]1 ZINC000290411077 498542283 /nfs/dbraw/zinc/54/22/83/498542283.db2.gz QUHDYYTVXABRDS-UHFFFAOYSA-N 1 1 374.828 3.482 20 5 FGBDMO Cc1cc(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc(N2CCCC2)[nH+]1 ZINC000290492942 498572742 /nfs/dbraw/zinc/57/27/42/498572742.db2.gz IDWHWOVSGYZZLO-UHFFFAOYSA-N 1 1 374.828 3.482 20 5 FGBDMO COc1cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1[N+](=O)[O-] ZINC000302799250 498580242 /nfs/dbraw/zinc/58/02/42/498580242.db2.gz RYKFGCRBMSOFRJ-SFHVURJKSA-N 1 1 371.437 3.306 20 5 FGBDMO Cc1ccc(CNc2c3c(ccc2[N+](=O)[O-])NCC3)c(N2CCCC2)[nH+]1 ZINC000302897248 498621265 /nfs/dbraw/zinc/62/12/65/498621265.db2.gz RJOUZUSWTBDASU-UHFFFAOYSA-N 1 1 353.426 3.479 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000332299460 498639535 /nfs/dbraw/zinc/63/95/35/498639535.db2.gz UZUMZGNHXPPWTD-HZPDHXFCSA-N 1 1 363.483 3.452 20 5 FGBDMO Cc1ccc(C[C@H](C)[N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000303755131 498711136 /nfs/dbraw/zinc/71/11/36/498711136.db2.gz MVQRCXPUJZWDIO-INIZCTEOSA-N 1 1 355.438 3.429 20 5 FGBDMO Cc1cccc(NC2CCN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)[nH+]1 ZINC000363224901 498712477 /nfs/dbraw/zinc/71/24/77/498712477.db2.gz FCXFFXVPENVTES-UHFFFAOYSA-N 1 1 354.410 3.323 20 5 FGBDMO C[C@]12CC[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C[C@H]1C2(F)F ZINC000298303642 498727456 /nfs/dbraw/zinc/72/74/56/498727456.db2.gz PUJOKCQHFMSKOJ-HIFRSBDPSA-N 1 1 357.332 3.040 20 5 FGBDMO CCCC[N@@H+](C)C[C@H](C)Nc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000581906183 506086690 /nfs/dbraw/zinc/08/66/90/506086690.db2.gz MXMKKZZGFUJXSJ-AWEZNQCLSA-N 1 1 350.463 3.265 20 5 FGBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000294836436 498820887 /nfs/dbraw/zinc/82/08/87/498820887.db2.gz DPWJLAATORLJSQ-GOSISDBHSA-N 1 1 361.486 3.193 20 5 FGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000298689381 498850343 /nfs/dbraw/zinc/85/03/43/498850343.db2.gz BSBYVLZEMZQCQX-KRWDZBQOSA-N 1 1 369.469 3.335 20 5 FGBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363558110 498878506 /nfs/dbraw/zinc/87/85/06/498878506.db2.gz NYANUWSXJWQNTC-RBOXIYTFSA-N 1 1 364.833 3.196 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCn1c[nH+]c2c1C[C@@H](C)[C@H](C)C2 ZINC000295213213 498945056 /nfs/dbraw/zinc/94/50/56/498945056.db2.gz UWPIINGIGJPSOZ-CHWSQXEVSA-N 1 1 372.425 3.200 20 5 FGBDMO Cc1cc(CNC(=O)c2c(C)cccc2[N+](=O)[O-])cc(N2CCCC2)[nH+]1 ZINC000291520979 498975155 /nfs/dbraw/zinc/97/51/55/498975155.db2.gz YDYSPXXNGPCTEY-UHFFFAOYSA-N 1 1 354.410 3.137 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000363961725 499068142 /nfs/dbraw/zinc/06/81/42/499068142.db2.gz JBZFNIVKGQMXJM-WMZOPIPTSA-N 1 1 358.442 3.197 20 5 FGBDMO C[N@@H+]1CC[C@@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000366798257 499077465 /nfs/dbraw/zinc/07/74/65/499077465.db2.gz YZZUPGUYSJLUFU-NVXWUHKLSA-N 1 1 361.348 3.048 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000366798257 499077471 /nfs/dbraw/zinc/07/74/71/499077471.db2.gz YZZUPGUYSJLUFU-NVXWUHKLSA-N 1 1 361.348 3.048 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(c2cccc3cnccc32)CC1 ZINC000366890945 499107711 /nfs/dbraw/zinc/10/77/11/499107711.db2.gz RKGCSZAXXJCHEM-UHFFFAOYSA-N 1 1 351.410 3.256 20 5 FGBDMO C[N@@H+](C[C@H]1CC12CCN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])CC2)C1CC1 ZINC000367301883 499176642 /nfs/dbraw/zinc/17/66/42/499176642.db2.gz CEJUTMCNKYZOAK-RCMYXZNBSA-N 1 1 369.465 3.331 20 5 FGBDMO C[N@@H+](C[C@H]1CC12CCN(C(=O)Nc1cccc([N+](=O)[O-])c1)CC2)C1CC1 ZINC000372839540 499182546 /nfs/dbraw/zinc/18/25/46/499182546.db2.gz SXGJARQGOUSMPM-CQSZACIVSA-N 1 1 358.442 3.323 20 5 FGBDMO C[N@@H+](C[C@H]1CC12CCN(c1ncnc3sc([N+](=O)[O-])cc31)CC2)C1CC1 ZINC000367345381 499185685 /nfs/dbraw/zinc/18/56/85/499185685.db2.gz HLQBQEDBIRJNIY-GFCCVEGCSA-N 1 1 373.482 3.300 20 5 FGBDMO C[C@H](C(=O)N[C@@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000368202013 499273703 /nfs/dbraw/zinc/27/37/03/499273703.db2.gz PDPSSRSTERWECO-BOFPYLFWSA-N 1 1 371.412 3.051 20 5 FGBDMO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc21 ZINC000368469590 499298989 /nfs/dbraw/zinc/29/89/89/499298989.db2.gz IVJBYCZNSBCHRJ-MRXNPFEDSA-N 1 1 370.365 3.091 20 5 FGBDMO CCC[C@]1(COC)CCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000573196717 506140161 /nfs/dbraw/zinc/14/01/61/506140161.db2.gz MSWZJJJBMHKUKR-QGZVFWFLSA-N 1 1 369.849 3.468 20 5 FGBDMO Cn1ccnc1[C@@H]1CCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000371505491 499335628 /nfs/dbraw/zinc/33/56/28/499335628.db2.gz JMOXEEUHJCTXMR-INIZCTEOSA-N 1 1 367.409 3.363 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCOCC2(CCC2)C1 ZINC000368842373 499338498 /nfs/dbraw/zinc/33/84/98/499338498.db2.gz MSWPYKWRYVTLPY-CYBMUJFWSA-N 1 1 358.398 3.208 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCOCC2(CCC2)C1 ZINC000368842373 499338500 /nfs/dbraw/zinc/33/85/00/499338500.db2.gz MSWPYKWRYVTLPY-CYBMUJFWSA-N 1 1 358.398 3.208 20 5 FGBDMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000371946639 499383256 /nfs/dbraw/zinc/38/32/56/499383256.db2.gz CNVQXENDADWFLK-GOSISDBHSA-N 1 1 371.441 3.111 20 5 FGBDMO C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000372022581 499390599 /nfs/dbraw/zinc/39/05/99/499390599.db2.gz XZTDCTGHBRUYOL-SCLBCKFNSA-N 1 1 355.394 3.439 20 5 FGBDMO C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000372022581 499390600 /nfs/dbraw/zinc/39/06/00/499390600.db2.gz XZTDCTGHBRUYOL-SCLBCKFNSA-N 1 1 355.394 3.439 20 5 FGBDMO C[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)[C@H]1c1cccs1 ZINC000369567323 499419461 /nfs/dbraw/zinc/41/94/61/499419461.db2.gz HOHQIZZCYAZXEI-BZNIZROVSA-N 1 1 363.414 3.218 20 5 FGBDMO Cc1cccc(C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000369567529 499419510 /nfs/dbraw/zinc/41/95/10/499419510.db2.gz HWSHXVVBCGUUSG-GUYCJALGSA-N 1 1 359.451 3.388 20 5 FGBDMO Cc1sc(C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000369569017 499419681 /nfs/dbraw/zinc/41/96/81/499419681.db2.gz MULBOJVTINKFJB-IAQYHMDHSA-N 1 1 365.480 3.449 20 5 FGBDMO C[N@H+]1CC[C@@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@@H]1c1cccnc1 ZINC000372437861 499434910 /nfs/dbraw/zinc/43/49/10/499434910.db2.gz DBKDFLQZIPLROM-GUYCJALGSA-N 1 1 374.828 3.066 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000375564368 499532906 /nfs/dbraw/zinc/53/29/06/499532906.db2.gz KNMFBFHOPFVEMW-UHFFFAOYSA-N 1 1 360.439 3.170 20 5 FGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000375666546 499543097 /nfs/dbraw/zinc/54/30/97/499543097.db2.gz RPHCZUXXLIJIHT-QGZVFWFLSA-N 1 1 367.449 3.231 20 5 FGBDMO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cc1[N+](=O)[O-] ZINC000573237593 506150065 /nfs/dbraw/zinc/15/00/65/506150065.db2.gz QXYWGZPUGTXXBW-YJBOKZPZSA-N 1 1 353.422 3.296 20 5 FGBDMO Cc1ccc(N2CCC(Nc3ncnc4sc([N+](=O)[O-])cc43)CC2)[nH+]c1 ZINC000376220609 499592059 /nfs/dbraw/zinc/59/20/59/499592059.db2.gz RMLPSHZKLRMHLM-UHFFFAOYSA-N 1 1 370.438 3.384 20 5 FGBDMO CN1CCC[C@@H]1[C@@H]1CCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000376226750 499592598 /nfs/dbraw/zinc/59/25/98/499592598.db2.gz ONDPBGQCWDVDIW-MSOLQXFVSA-N 1 1 370.453 3.351 20 5 FGBDMO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000376226750 499592599 /nfs/dbraw/zinc/59/25/99/499592599.db2.gz ONDPBGQCWDVDIW-MSOLQXFVSA-N 1 1 370.453 3.351 20 5 FGBDMO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000376226750 499592600 /nfs/dbraw/zinc/59/26/00/499592600.db2.gz ONDPBGQCWDVDIW-MSOLQXFVSA-N 1 1 370.453 3.351 20 5 FGBDMO C[C@H](c1nccn1-c1ccccc1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000376508461 499613923 /nfs/dbraw/zinc/61/39/23/499613923.db2.gz UONGNKLMSVSUBZ-OAHLLOKOSA-N 1 1 366.425 3.375 20 5 FGBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C[C@H]1C ZINC000410635712 499671810 /nfs/dbraw/zinc/67/18/10/499671810.db2.gz LXENWSNKYWAVNI-MNOVXSKESA-N 1 1 359.348 3.168 20 5 FGBDMO C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1 ZINC000411204614 499710964 /nfs/dbraw/zinc/71/09/64/499710964.db2.gz BQBFGOHLZZQMPY-XUVXKRRUSA-N 1 1 365.433 3.214 20 5 FGBDMO C[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1 ZINC000411204614 499710965 /nfs/dbraw/zinc/71/09/65/499710965.db2.gz BQBFGOHLZZQMPY-XUVXKRRUSA-N 1 1 365.433 3.214 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CC(F)F)CC1CCC1 ZINC000411411647 499736719 /nfs/dbraw/zinc/73/67/19/499736719.db2.gz GRSZYAUTTRANTN-UHFFFAOYSA-N 1 1 371.384 3.299 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CC(F)F)CC1CCC1 ZINC000411411647 499736720 /nfs/dbraw/zinc/73/67/20/499736720.db2.gz GRSZYAUTTRANTN-UHFFFAOYSA-N 1 1 371.384 3.299 20 5 FGBDMO CC(C)Oc1cc(C(=O)NCC[N@@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000411593991 499766954 /nfs/dbraw/zinc/76/69/54/499766954.db2.gz OJOXXIQVRDLSIY-UHFFFAOYSA-N 1 1 371.437 3.244 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]CC(C)(C)OCC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000414266829 499772768 /nfs/dbraw/zinc/77/27/68/499772768.db2.gz MIAIPDIFWORJKL-QGZVFWFLSA-N 1 1 358.442 3.213 20 5 FGBDMO CC(C)Oc1cc(C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000412150712 499828075 /nfs/dbraw/zinc/82/80/75/499828075.db2.gz XSQOEVCSRYQODX-MRXNPFEDSA-N 1 1 363.458 3.328 20 5 FGBDMO Cc1c[nH+]cn1C1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)CC1 ZINC000412256244 499838656 /nfs/dbraw/zinc/83/86/56/499838656.db2.gz LRCNJBMHDOHKKK-UHFFFAOYSA-N 1 1 372.425 3.364 20 5 FGBDMO C[C@@H](c1cccnc1)[NH+]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413145407 499919275 /nfs/dbraw/zinc/91/92/75/499919275.db2.gz RKDMGSLWYBHOIC-HNNXBMFYSA-N 1 1 363.421 3.421 20 5 FGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+]Cc2ccccc21 ZINC000428903574 499956147 /nfs/dbraw/zinc/95/61/47/499956147.db2.gz ZERDLPNADGESRK-CYBMUJFWSA-N 1 1 357.435 3.212 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000429029443 499988231 /nfs/dbraw/zinc/98/82/31/499988231.db2.gz OHZSRRVERHGMHN-AWEZNQCLSA-N 1 1 369.190 3.320 20 5 FGBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](O)C[C@@H]2C)cc1OC ZINC000429160121 500016012 /nfs/dbraw/zinc/01/60/12/500016012.db2.gz NLUAEKHESFAJNA-YCPHGPKFSA-N 1 1 366.458 3.374 20 5 FGBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@H](O)C[C@@H]2C)cc1OC ZINC000429160121 500016015 /nfs/dbraw/zinc/01/60/15/500016015.db2.gz NLUAEKHESFAJNA-YCPHGPKFSA-N 1 1 366.458 3.374 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](O)C[C@@H]2C)cc1OC ZINC000429160120 500016165 /nfs/dbraw/zinc/01/61/65/500016165.db2.gz NLUAEKHESFAJNA-DZKIICNBSA-N 1 1 366.458 3.374 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@H](O)C[C@@H]2C)cc1OC ZINC000429160120 500016169 /nfs/dbraw/zinc/01/61/69/500016169.db2.gz NLUAEKHESFAJNA-DZKIICNBSA-N 1 1 366.458 3.374 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000425493139 500123005 /nfs/dbraw/zinc/12/30/05/500123005.db2.gz ONAAHUVJVYOYSV-HNNXBMFYSA-N 1 1 355.232 3.360 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000425493139 500123009 /nfs/dbraw/zinc/12/30/09/500123009.db2.gz ONAAHUVJVYOYSV-HNNXBMFYSA-N 1 1 355.232 3.360 20 5 FGBDMO O=C(NCc1c[nH+]c2n1CCCC2)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000582282612 506175740 /nfs/dbraw/zinc/17/57/40/506175740.db2.gz USVFFSDCRYRESM-UHFFFAOYSA-N 1 1 368.315 3.076 20 5 FGBDMO COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430203167 500208281 /nfs/dbraw/zinc/20/82/81/500208281.db2.gz NQOLTBQTLFESRQ-OAHLLOKOSA-N 1 1 372.421 3.415 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cnc(-c4ccco4)s3)nc2c1 ZINC000425995813 500222733 /nfs/dbraw/zinc/22/27/33/500222733.db2.gz MZYJJGXVNVGXAF-UHFFFAOYSA-N 1 1 355.379 3.477 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCNCC34CCCCC4)o2)c1 ZINC000431096642 500335430 /nfs/dbraw/zinc/33/54/30/500335430.db2.gz ZYBVPUWENKHYLJ-UHFFFAOYSA-N 1 1 370.453 3.400 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCNCC34CCCCC4)o2)c1 ZINC000431096642 500335432 /nfs/dbraw/zinc/33/54/32/500335432.db2.gz ZYBVPUWENKHYLJ-UHFFFAOYSA-N 1 1 370.453 3.400 20 5 FGBDMO Cc1c(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cccc1[N+](=O)[O-] ZINC000423081843 500339939 /nfs/dbraw/zinc/33/99/39/500339939.db2.gz VTDRRRGANALBPK-FXAWDEMLSA-N 1 1 353.422 3.249 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000423604795 500388904 /nfs/dbraw/zinc/38/89/04/500388904.db2.gz HEUURZQOJPXDPJ-SFHVURJKSA-N 1 1 357.385 3.137 20 5 FGBDMO C[C@@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@H]1C ZINC000431872165 500437181 /nfs/dbraw/zinc/43/71/81/500437181.db2.gz SUUCDXBOJZAPRM-CABCVRRESA-N 1 1 362.474 3.392 20 5 FGBDMO C[C@@H]1C[C@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000420594319 500475849 /nfs/dbraw/zinc/47/58/49/500475849.db2.gz DIBVCCWEPQFIKT-GDBMZVCRSA-N 1 1 368.437 3.159 20 5 FGBDMO Cc1noc(C)c1C[NH+]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432333480 500500447 /nfs/dbraw/zinc/50/04/47/500500447.db2.gz BCWWGHHMNNPULW-UHFFFAOYSA-N 1 1 367.409 3.070 20 5 FGBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000428664298 500539695 /nfs/dbraw/zinc/53/96/95/500539695.db2.gz BEBILLCIESEOEV-KRWDZBQOSA-N 1 1 358.467 3.328 20 5 FGBDMO CCCn1cc[nH+]c1CCCN(C)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000428665022 500540399 /nfs/dbraw/zinc/54/03/99/500540399.db2.gz NNQKYWVJEBKKEQ-UHFFFAOYSA-N 1 1 370.413 3.320 20 5 FGBDMO CC1(C)[C@@H](c2ccccc2)CC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000421010862 500552968 /nfs/dbraw/zinc/55/29/68/500552968.db2.gz CQLYUDBHPNYHDX-QGZVFWFLSA-N 1 1 353.422 3.462 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437851568 500706790 /nfs/dbraw/zinc/70/67/90/500706790.db2.gz YKNLAOCYTMESNX-INIZCTEOSA-N 1 1 361.442 3.130 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000448428348 500760318 /nfs/dbraw/zinc/76/03/18/500760318.db2.gz ZOAOFMKSOWHAOF-CQSZACIVSA-N 1 1 359.426 3.439 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000444218863 500819300 /nfs/dbraw/zinc/81/93/00/500819300.db2.gz XZMSMWPUAIVWMM-MRXNPFEDSA-N 1 1 361.442 3.265 20 5 FGBDMO CCC[C@]1(C)CCC[N@@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000438824398 500823027 /nfs/dbraw/zinc/82/30/27/500823027.db2.gz DCMYQYVJKFVBQY-QFBILLFUSA-N 1 1 359.426 3.129 20 5 FGBDMO CCC[C@]1(C)CCC[N@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000438824398 500823030 /nfs/dbraw/zinc/82/30/30/500823030.db2.gz DCMYQYVJKFVBQY-QFBILLFUSA-N 1 1 359.426 3.129 20 5 FGBDMO CC1=CC[N@H+](CCNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000444329699 500835288 /nfs/dbraw/zinc/83/52/88/500835288.db2.gz WBRDNGAAKMASPN-UHFFFAOYSA-N 1 1 361.445 3.063 20 5 FGBDMO CC1=CC[N@@H+](CCNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000444329699 500835291 /nfs/dbraw/zinc/83/52/91/500835291.db2.gz WBRDNGAAKMASPN-UHFFFAOYSA-N 1 1 361.445 3.063 20 5 FGBDMO CCOC(=O)CC1([NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCCC1 ZINC000434614630 500865375 /nfs/dbraw/zinc/86/53/75/500865375.db2.gz IKLIZCSAHJXQQW-UHFFFAOYSA-N 1 1 374.397 3.000 20 5 FGBDMO CC[C@H]1CCCC[C@H]1[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000444663228 500874922 /nfs/dbraw/zinc/87/49/22/500874922.db2.gz KETBIUAXAMRFSU-WMLDXEAASA-N 1 1 354.472 3.269 20 5 FGBDMO CC(C)(O)C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccccc1 ZINC000444676954 500877197 /nfs/dbraw/zinc/87/71/97/500877197.db2.gz SGARREUDKNPWFL-UHFFFAOYSA-N 1 1 354.410 3.244 20 5 FGBDMO CC(C)(O)C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccccc1 ZINC000444676954 500877199 /nfs/dbraw/zinc/87/71/99/500877199.db2.gz SGARREUDKNPWFL-UHFFFAOYSA-N 1 1 354.410 3.244 20 5 FGBDMO CC[C@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000444682014 500877542 /nfs/dbraw/zinc/87/75/42/500877542.db2.gz SFTUWRAUUVDZQR-JSGCOSHPSA-N 1 1 363.414 3.163 20 5 FGBDMO CCOC(=O)[C@@]1(COC)CCC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000439464539 500899852 /nfs/dbraw/zinc/89/98/52/500899852.db2.gz CTQSJJJRGPURRF-KXBFYZLASA-N 1 1 364.442 3.256 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)CCCOCc1ccccc1 ZINC000439478282 500902958 /nfs/dbraw/zinc/90/29/58/500902958.db2.gz XNGZCJTWLJGFKV-UHFFFAOYSA-N 1 1 371.437 3.380 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)CCCOCc1ccccc1 ZINC000439478282 500902960 /nfs/dbraw/zinc/90/29/60/500902960.db2.gz XNGZCJTWLJGFKV-UHFFFAOYSA-N 1 1 371.437 3.380 20 5 FGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)C1CCN(c2cnccn2)CC1 ZINC000435036993 500925802 /nfs/dbraw/zinc/92/58/02/500925802.db2.gz UTNBTKKMSFIAEE-VBKFSLOCSA-N 1 1 367.453 3.389 20 5 FGBDMO C[C@H](CN1CCOCC1)[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000435042665 500926253 /nfs/dbraw/zinc/92/62/53/500926253.db2.gz WILIICIYCVBJBQ-OAHLLOKOSA-N 1 1 359.426 3.007 20 5 FGBDMO C[C@H]([NH2+]Cc1cc(C(=O)OC(C)(C)C)nn1C)c1ccccc1[N+](=O)[O-] ZINC000602584224 506224695 /nfs/dbraw/zinc/22/46/95/506224695.db2.gz YMQCREBKCGFVHR-LBPRGKRZSA-N 1 1 360.414 3.134 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000439881033 500949865 /nfs/dbraw/zinc/94/98/65/500949865.db2.gz BGCWUIXIJUKTDG-KGLIPLIRSA-N 1 1 364.446 3.378 20 5 FGBDMO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000449366875 500988318 /nfs/dbraw/zinc/98/83/18/500988318.db2.gz XVLFHGUHWSSPCA-MSOLQXFVSA-N 1 1 373.478 3.228 20 5 FGBDMO CC[C@H](c1ccccc1)[N@@H+](CC(C)C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000440330855 500998027 /nfs/dbraw/zinc/99/80/27/500998027.db2.gz WDCOGFAOBRYJRP-RBUKOAKNSA-N 1 1 360.458 3.262 20 5 FGBDMO CC(C)(C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1)C(N)=O ZINC000449414576 500998537 /nfs/dbraw/zinc/99/85/37/500998537.db2.gz WLVKQYZTELOFBQ-LBPRGKRZSA-N 1 1 353.850 3.362 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1cnc(C(C)C)nc1 ZINC000440480450 501013209 /nfs/dbraw/zinc/01/32/09/501013209.db2.gz KDMYZMLYZNGSLC-UHFFFAOYSA-N 1 1 371.441 3.277 20 5 FGBDMO COC(=O)c1cc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cn1C ZINC000449499148 501018540 /nfs/dbraw/zinc/01/85/40/501018540.db2.gz LNFGKVKLGGVXEM-INIZCTEOSA-N 1 1 357.410 3.100 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)c1 ZINC000449553611 501032432 /nfs/dbraw/zinc/03/24/32/501032432.db2.gz MEWGRHXBNNJEHX-TYNCELHUSA-N 1 1 356.369 3.179 20 5 FGBDMO COc1cccc(C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)c1[N+](=O)[O-] ZINC000436025228 501058432 /nfs/dbraw/zinc/05/84/32/501058432.db2.gz VPMRUAKHEPKWDW-UHFFFAOYSA-N 1 1 369.421 3.492 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000446103003 501075285 /nfs/dbraw/zinc/07/52/85/501075285.db2.gz LPKCENRPQMATKI-DGCLKSJQSA-N 1 1 353.850 3.407 20 5 FGBDMO COc1ccc(OCC[NH+]2CCN(c3ccccc3C)CC2)c([N+](=O)[O-])c1 ZINC000441238685 501107077 /nfs/dbraw/zinc/10/70/77/501107077.db2.gz UYGCOTGVCIIDAY-UHFFFAOYSA-N 1 1 371.437 3.113 20 5 FGBDMO COc1ccc(OCC[N@@H+](C)CCOc2ccccc2F)c([N+](=O)[O-])c1 ZINC000441258088 501109829 /nfs/dbraw/zinc/10/98/29/501109829.db2.gz SVFOOGCUAKJHQY-UHFFFAOYSA-N 1 1 364.373 3.132 20 5 FGBDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000592769047 506235129 /nfs/dbraw/zinc/23/51/29/506235129.db2.gz HMTQJGWKSGZJSP-HNNXBMFYSA-N 1 1 373.457 3.232 20 5 FGBDMO COc1cccc([C@@H]2[C@H](Nc3ccc([N+](=O)[O-])nc3)CC[N@H+]2C2CC2)c1 ZINC000450426016 501119537 /nfs/dbraw/zinc/11/95/37/501119537.db2.gz BMSXAYSNEMYRAH-IEBWSBKVSA-N 1 1 354.410 3.388 20 5 FGBDMO CCn1nccc1C[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000596061835 506235113 /nfs/dbraw/zinc/23/51/13/506235113.db2.gz LGWNMFSSEUJSJG-UHFFFAOYSA-N 1 1 356.382 3.370 20 5 FGBDMO CCOc1ccccc1C[N@@H+]1CCN(c2ccc([N+](=O)[O-])nc2)[C@@H](C)C1 ZINC000450500894 501137640 /nfs/dbraw/zinc/13/76/40/501137640.db2.gz OSDMJZCVKUUAOZ-HNNXBMFYSA-N 1 1 356.426 3.099 20 5 FGBDMO CCOc1ccccc1C[N@H+]1CCN(c2ccc([N+](=O)[O-])nc2)[C@@H](C)C1 ZINC000450500894 501137644 /nfs/dbraw/zinc/13/76/44/501137644.db2.gz OSDMJZCVKUUAOZ-HNNXBMFYSA-N 1 1 356.426 3.099 20 5 FGBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000449996719 501148761 /nfs/dbraw/zinc/14/87/61/501148761.db2.gz QNJIRLBDWDFSNS-NSHDSACASA-N 1 1 359.348 3.027 20 5 FGBDMO Cc1cccc2nc(C3CC[NH+](Cc4cn(C)nc4[N+](=O)[O-])CC3)oc21 ZINC000602626943 506236775 /nfs/dbraw/zinc/23/67/75/506236775.db2.gz BSWAHJSWXXTYMF-UHFFFAOYSA-N 1 1 355.398 3.158 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+](C)Cc2cc(C)cc(C)c2)cc1[N+](=O)[O-] ZINC000446974139 501189641 /nfs/dbraw/zinc/18/96/41/501189641.db2.gz HHFWOURJXYKQBC-UHFFFAOYSA-N 1 1 372.421 3.395 20 5 FGBDMO CN1CCO[C@@H](C[N@H+](C)Cc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000450955533 501234895 /nfs/dbraw/zinc/23/48/95/501234895.db2.gz FFTKCYGGWXSAQN-PMACEKPBSA-N 1 1 355.438 3.099 20 5 FGBDMO CN1CCO[C@@H](C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000450955533 501234896 /nfs/dbraw/zinc/23/48/96/501234896.db2.gz FFTKCYGGWXSAQN-PMACEKPBSA-N 1 1 355.438 3.099 20 5 FGBDMO CN(Cc1ccccc1[N+](=O)[O-])C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000450955533 501234897 /nfs/dbraw/zinc/23/48/97/501234897.db2.gz FFTKCYGGWXSAQN-PMACEKPBSA-N 1 1 355.438 3.099 20 5 FGBDMO CN(Cc1ccccc1[N+](=O)[O-])C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000450955533 501234898 /nfs/dbraw/zinc/23/48/98/501234898.db2.gz FFTKCYGGWXSAQN-PMACEKPBSA-N 1 1 355.438 3.099 20 5 FGBDMO COC(=O)c1c(Cl)c(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000596076322 506243211 /nfs/dbraw/zinc/24/32/11/506243211.db2.gz PDNSFPWRRZMNJS-PWSUYJOCSA-N 1 1 353.806 3.074 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCCC[C@@H]3[C@H]3CCC[C@@H]3O)n2)cc1 ZINC000451339043 501269287 /nfs/dbraw/zinc/26/92/87/501269287.db2.gz IAMFZFXXYWZHDZ-ZACQAIPSSA-N 1 1 372.425 3.160 20 5 FGBDMO COc1cc(CN(C)Cc2[nH+]cc(C)c(OC)c2C)c([N+](=O)[O-])cc1F ZINC000451373528 501277863 /nfs/dbraw/zinc/27/78/63/501277863.db2.gz IVPJQRNGUUOLGZ-UHFFFAOYSA-N 1 1 363.389 3.395 20 5 FGBDMO O=[N+]([O-])c1cccc([C@@H](NC[C@H]2CCC[N@@H+]2CCCO)c2ccccc2)c1 ZINC000453272460 501304622 /nfs/dbraw/zinc/30/46/22/501304622.db2.gz UYCFTQOKKDOZEC-RTWAWAEBSA-N 1 1 369.465 3.121 20 5 FGBDMO O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@H]2CCCN2CCCO)c2ccccc2)c1 ZINC000453272460 501304625 /nfs/dbraw/zinc/30/46/25/501304625.db2.gz UYCFTQOKKDOZEC-RTWAWAEBSA-N 1 1 369.465 3.121 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]CCC1CC(F)(F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000453446247 501334103 /nfs/dbraw/zinc/33/41/03/501334103.db2.gz YQNMSZBAASNPFX-HNNXBMFYSA-N 1 1 350.369 3.443 20 5 FGBDMO CO[C@H]1C[C@H]([N@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC000451857691 501386911 /nfs/dbraw/zinc/38/69/11/501386911.db2.gz UXWHRIBYJRLIEP-GJZGRUSLSA-N 1 1 367.833 3.076 20 5 FGBDMO CO[C@H]1C[C@H]([N@@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC000451857691 501386914 /nfs/dbraw/zinc/38/69/14/501386914.db2.gz UXWHRIBYJRLIEP-GJZGRUSLSA-N 1 1 367.833 3.076 20 5 FGBDMO C[C@@H](NC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000598971852 506253269 /nfs/dbraw/zinc/25/32/69/506253269.db2.gz GZTJFQFRPPXQIZ-KDOFPFPSSA-N 1 1 360.458 3.362 20 5 FGBDMO C[C@H](NC(=O)NCCC[N@@H+](C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000454201578 501481194 /nfs/dbraw/zinc/48/11/94/501481194.db2.gz ATIBVRTUJUGNMX-INIZCTEOSA-N 1 1 370.453 3.477 20 5 FGBDMO C[N@H+]1CC[C@@H](CNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000454816473 501636519 /nfs/dbraw/zinc/63/65/19/501636519.db2.gz ROZLFIKKGJKRTP-AWEZNQCLSA-N 1 1 370.409 3.460 20 5 FGBDMO C[C@@H](CNc1ncc([N+](=O)[O-])cc1Br)[N@H+]1CCCC[C@H]1C ZINC000485178152 501749084 /nfs/dbraw/zinc/74/90/84/501749084.db2.gz MOOCUYOOWACASX-MNOVXSKESA-N 1 1 357.252 3.427 20 5 FGBDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000481664122 501842641 /nfs/dbraw/zinc/84/26/41/501842641.db2.gz XRUHKRWHPOQVFM-HNNXBMFYSA-N 1 1 370.453 3.238 20 5 FGBDMO C[NH+](C)Cc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc1Cl ZINC000478056643 501867475 /nfs/dbraw/zinc/86/74/75/501867475.db2.gz ZQJPRSGTYYHVFM-UHFFFAOYSA-N 1 1 366.780 3.283 20 5 FGBDMO CSc1ccccc1C[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000470996116 501886792 /nfs/dbraw/zinc/88/67/92/501886792.db2.gz QNGRCANQVUPFHD-OAHLLOKOSA-N 1 1 362.451 3.188 20 5 FGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)c(F)c1 ZINC000481846787 501898112 /nfs/dbraw/zinc/89/81/12/501898112.db2.gz KEFZBILSANBVCY-UHFFFAOYSA-N 1 1 359.405 3.041 20 5 FGBDMO O=C1[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCN1C1CCC1 ZINC000599019531 506280752 /nfs/dbraw/zinc/28/07/52/506280752.db2.gz GLMIEDLHXOPFKN-KRWDZBQOSA-N 1 1 355.394 3.098 20 5 FGBDMO COc1cc(C[NH2+][C@@H]2C[C@H]2C(F)(F)F)c([N+](=O)[O-])cc1OCC(F)F ZINC000602744260 506282193 /nfs/dbraw/zinc/28/21/93/506282193.db2.gz YMWGBAOHQADBQC-RKDXNWHRSA-N 1 1 370.274 3.288 20 5 FGBDMO COC(=O)c1cnc(N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000478283584 501930985 /nfs/dbraw/zinc/93/09/85/501930985.db2.gz SAXYXBJSRMMMLI-CZUORRHYSA-N 1 1 370.409 3.024 20 5 FGBDMO Nc1c(F)c(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000471250892 501967239 /nfs/dbraw/zinc/96/72/39/501967239.db2.gz OZJFQXOHIDYDEG-UHFFFAOYSA-N 1 1 362.380 3.168 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000592881028 506289949 /nfs/dbraw/zinc/28/99/49/506289949.db2.gz JALOLIHZEWBWNA-MJGOQNOKSA-N 1 1 367.449 3.287 20 5 FGBDMO Cc1c(CNC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000478758737 502077442 /nfs/dbraw/zinc/07/74/42/502077442.db2.gz HBQMYMDTBXXHFU-HNNXBMFYSA-N 1 1 362.474 3.357 20 5 FGBDMO CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000482493094 502086850 /nfs/dbraw/zinc/08/68/50/502086850.db2.gz FIMYWWHRILZUPC-CVEARBPZSA-N 1 1 364.442 3.261 20 5 FGBDMO CO[C@@]1(C)C[C@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1(C)C ZINC000464831095 502110554 /nfs/dbraw/zinc/11/05/54/502110554.db2.gz RLVFMPOZFHXVDF-LPHOPBHVSA-N 1 1 363.458 3.367 20 5 FGBDMO C[C@H]1C[N@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C[C@H]1C ZINC000464846089 502117067 /nfs/dbraw/zinc/11/70/67/502117067.db2.gz QNPVNVQTGPLDJK-TXEJJXNPSA-N 1 1 360.439 3.245 20 5 FGBDMO C[C@H]1C[N@@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C[C@H]1C ZINC000464846089 502117071 /nfs/dbraw/zinc/11/70/71/502117071.db2.gz QNPVNVQTGPLDJK-TXEJJXNPSA-N 1 1 360.439 3.245 20 5 FGBDMO C[C@@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000464893580 502138679 /nfs/dbraw/zinc/13/86/79/502138679.db2.gz LSMQSXRVEPGSFO-OAHLLOKOSA-N 1 1 371.412 3.471 20 5 FGBDMO COc1cc(C[N@H+]2C[C@@H](O)C[C@@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000471804557 502141547 /nfs/dbraw/zinc/14/15/47/502141547.db2.gz MSDSGCHAWFCSDV-KSSFIOAISA-N 1 1 372.421 3.138 20 5 FGBDMO COCC[N@@H+](C)CCCC1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596180233 506295741 /nfs/dbraw/zinc/29/57/41/506295741.db2.gz ZJLCYUDCTNYSFH-UHFFFAOYSA-N 1 1 370.881 3.218 20 5 FGBDMO COCC[C@H]1CCCC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000468700558 502151604 /nfs/dbraw/zinc/15/16/04/502151604.db2.gz SIBALOQCKIIOKH-CQSZACIVSA-N 1 1 352.431 3.251 20 5 FGBDMO CCCC[N@@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000468698083 502151688 /nfs/dbraw/zinc/15/16/88/502151688.db2.gz DPLBUEKAKLNICF-OAHLLOKOSA-N 1 1 369.487 3.065 20 5 FGBDMO CCCC[N@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000468698083 502151696 /nfs/dbraw/zinc/15/16/96/502151696.db2.gz DPLBUEKAKLNICF-OAHLLOKOSA-N 1 1 369.487 3.065 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000468739017 502165968 /nfs/dbraw/zinc/16/59/68/502165968.db2.gz JTLNYCCFNWCULK-NQCYKCSBSA-N 1 1 373.497 3.356 20 5 FGBDMO CCOc1cc(N2CC[NH+](Cc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000475511980 502198429 /nfs/dbraw/zinc/19/84/29/502198429.db2.gz WTVHEPMFSWECNX-UHFFFAOYSA-N 1 1 359.401 3.455 20 5 FGBDMO CCOc1cc(N2CC[NH+](Cc3cccc(C)n3)CC2)ccc1[N+](=O)[O-] ZINC000482894895 502210151 /nfs/dbraw/zinc/21/01/51/502210151.db2.gz XQVJKUQMJVHMHK-UHFFFAOYSA-N 1 1 356.426 3.019 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+]([C@H](C)C(C)C)C2CC2)cc1[N+](=O)[O-] ZINC000475571769 502216744 /nfs/dbraw/zinc/21/67/44/502216744.db2.gz NDILYQBQCACMPD-CYBMUJFWSA-N 1 1 350.415 3.156 20 5 FGBDMO Cc1cc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461959300 502252818 /nfs/dbraw/zinc/25/28/18/502252818.db2.gz NXIINZHKQHASQK-BLLLJJGKSA-N 1 1 373.375 3.079 20 5 FGBDMO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+]CC=Cc3ccccc3[N+](=O)[O-])n2)c1 ZINC000486792498 502263825 /nfs/dbraw/zinc/26/38/25/502263825.db2.gz SCWJSYMUMQETBW-BRLPQQTGSA-N 1 1 364.409 3.447 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC000475725940 502265463 /nfs/dbraw/zinc/26/54/63/502265463.db2.gz QMNWXSYHPCVOIQ-UHFFFAOYSA-N 1 1 358.320 3.252 20 5 FGBDMO O=C1[C@@H]([N@H+]2CC[C@H](c3ccc(F)cc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000483102053 502271340 /nfs/dbraw/zinc/27/13/40/502271340.db2.gz WAPUDLCJJIGDCE-KXBFYZLASA-N 1 1 369.396 3.329 20 5 FGBDMO O=C1[C@H]([N@H+]2CC[C@@H](c3ccc(F)cc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000483102051 502272016 /nfs/dbraw/zinc/27/20/16/502272016.db2.gz WAPUDLCJJIGDCE-DNVCBOLYSA-N 1 1 369.396 3.329 20 5 FGBDMO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1csc(Cl)c1 ZINC000469033770 502272179 /nfs/dbraw/zinc/27/21/79/502272179.db2.gz RTAKWDBYYRJUKR-SNVBAGLBSA-N 1 1 374.871 3.434 20 5 FGBDMO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000472326524 502315818 /nfs/dbraw/zinc/31/58/18/502315818.db2.gz ZICOXDGRTDVXCE-IMFGXOCKSA-N 1 1 370.449 3.288 20 5 FGBDMO Cn1ccnc1[C@@H](NC[C@@H]1CC[N@H+]1C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000599073528 506309533 /nfs/dbraw/zinc/30/95/33/506309533.db2.gz IHYSTLKCTJWSFY-OALUTQOASA-N 1 1 369.469 3.024 20 5 FGBDMO C[C@H](CCN1CC[NH+](C)CC1)Nc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000472678551 502416694 /nfs/dbraw/zinc/41/66/94/502416694.db2.gz NAFGRWGBDITMAY-OAHLLOKOSA-N 1 1 364.490 3.210 20 5 FGBDMO COc1cc(C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)cc([N+](=O)[O-])c1C ZINC000480085198 502468378 /nfs/dbraw/zinc/46/83/78/502468378.db2.gz UGVSGROUFWHOTC-AWEZNQCLSA-N 1 1 371.437 3.162 20 5 FGBDMO CCC[N@@H+](CC)CCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000473161048 502532018 /nfs/dbraw/zinc/53/20/18/502532018.db2.gz AGPJZLSNKYLPOQ-UHFFFAOYSA-N 1 1 350.463 3.247 20 5 FGBDMO C[N@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c(OCc4ccccc4)n3)[C@@H]2C1 ZINC000462695824 502536779 /nfs/dbraw/zinc/53/67/79/502536779.db2.gz IPQWKYVTFFUVKK-FUHWJXTLSA-N 1 1 368.437 3.099 20 5 FGBDMO COCC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCC[C@H]1C ZINC000488005270 502597586 /nfs/dbraw/zinc/59/75/86/502597586.db2.gz CLUCUJXFBOPVDZ-CZUORRHYSA-N 1 1 360.414 3.282 20 5 FGBDMO COc1cc(N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000480584971 502610318 /nfs/dbraw/zinc/61/03/18/502610318.db2.gz SVTYFXXHQGIDSQ-CALCHBBNSA-N 1 1 353.422 3.172 20 5 FGBDMO O=[N+]([O-])c1cnc2ccccc2c1NCC[N@H+]1CCc2sccc2C1 ZINC000488102596 502627311 /nfs/dbraw/zinc/62/73/11/502627311.db2.gz JYALUSRAGABCLD-UHFFFAOYSA-N 1 1 354.435 3.097 20 5 FGBDMO COCC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCC[C@H]1C ZINC000488110786 502629710 /nfs/dbraw/zinc/62/97/10/502629710.db2.gz QRESVQYNXAIUOQ-CZUORRHYSA-N 1 1 360.414 3.282 20 5 FGBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCNc1cccc(C)[nH+]1 ZINC000462992609 502652565 /nfs/dbraw/zinc/65/25/65/502652565.db2.gz FNIWWPYIVCBPCA-INIZCTEOSA-N 1 1 356.426 3.095 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000477052171 502661999 /nfs/dbraw/zinc/66/19/99/502661999.db2.gz UPSSCNKIXJMOSL-IBGZPJMESA-N 1 1 361.442 3.124 20 5 FGBDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)[C@@H]1C ZINC000470157563 502684836 /nfs/dbraw/zinc/68/48/36/502684836.db2.gz ZIPHGEDBQDOAJW-DOMZBBRYSA-N 1 1 374.393 3.247 20 5 FGBDMO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470215653 502706957 /nfs/dbraw/zinc/70/69/57/502706957.db2.gz XASARDNKIDVSLM-XQUTUDPNSA-N 1 1 362.426 3.041 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000488514978 502739534 /nfs/dbraw/zinc/73/95/34/502739534.db2.gz KLTOYOGWKQAGRA-KXBFYZLASA-N 1 1 353.422 3.235 20 5 FGBDMO COCC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H]1CC[C@H](C)C1 ZINC000484894880 502768664 /nfs/dbraw/zinc/76/86/64/502768664.db2.gz PLMTWKJWVJDFKF-GOEBONIOSA-N 1 1 363.458 3.369 20 5 FGBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])n3C)cc2)C1 ZINC000500758678 502856570 /nfs/dbraw/zinc/85/65/70/502856570.db2.gz MHRSZPYNQMOLCW-CQSZACIVSA-N 1 1 356.426 3.418 20 5 FGBDMO COc1ccc(C[N@@H+]2CC[C@H]2CNc2ccc([N+](=O)[O-])c(N)c2F)cc1 ZINC000599138349 506338991 /nfs/dbraw/zinc/33/89/91/506338991.db2.gz ABCOQJRKFLQLNS-ZDUSSCGKSA-N 1 1 360.389 3.011 20 5 FGBDMO COc1ccc(C[N@H+]2CC[C@H]2CNc2ccc([N+](=O)[O-])c(N)c2F)cc1 ZINC000599138349 506338997 /nfs/dbraw/zinc/33/89/97/506338997.db2.gz ABCOQJRKFLQLNS-ZDUSSCGKSA-N 1 1 360.389 3.011 20 5 FGBDMO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505457558 502907688 /nfs/dbraw/zinc/90/76/88/502907688.db2.gz MAUWMGFFTYBGAF-UHFFFAOYSA-N 1 1 361.442 3.219 20 5 FGBDMO C[C@@H](CCO)[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000501006174 502910870 /nfs/dbraw/zinc/91/08/70/502910870.db2.gz HNWUPTGGEMVHSU-INIZCTEOSA-N 1 1 371.437 3.197 20 5 FGBDMO C[C@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000582642823 506341766 /nfs/dbraw/zinc/34/17/66/506341766.db2.gz ZRPMACJSWYCNCD-INIZCTEOSA-N 1 1 353.422 3.043 20 5 FGBDMO CC[C@H](NC(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000489449338 502961796 /nfs/dbraw/zinc/96/17/96/502961796.db2.gz NXPFVWUJOQQTAH-VVWQDTPRSA-N 1 1 374.485 3.418 20 5 FGBDMO COc1ccc(CCC[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000497470957 502967044 /nfs/dbraw/zinc/96/70/44/502967044.db2.gz GWMQZSKOXJUXGV-UHFFFAOYSA-N 1 1 371.437 3.497 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505862622 503001048 /nfs/dbraw/zinc/00/10/48/503001048.db2.gz MUAVPEBXENQYCO-HZPDHXFCSA-N 1 1 369.421 3.323 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505862622 503001052 /nfs/dbraw/zinc/00/10/52/503001052.db2.gz MUAVPEBXENQYCO-HZPDHXFCSA-N 1 1 369.421 3.323 20 5 FGBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000505906523 503010607 /nfs/dbraw/zinc/01/06/07/503010607.db2.gz OTWVYNBDNAXKSU-LSDHHAIUSA-N 1 1 363.433 3.461 20 5 FGBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000505907930 503011862 /nfs/dbraw/zinc/01/18/62/503011862.db2.gz VQTZBNKUTOTDOL-FUHWJXTLSA-N 1 1 359.470 3.250 20 5 FGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000490040283 503097321 /nfs/dbraw/zinc/09/73/21/503097321.db2.gz DPCBDZKYPZAWDH-CRAIPNDOSA-N 1 1 368.437 3.498 20 5 FGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000490040283 503097325 /nfs/dbraw/zinc/09/73/25/503097325.db2.gz DPCBDZKYPZAWDH-CRAIPNDOSA-N 1 1 368.437 3.498 20 5 FGBDMO Cc1ccccc1C[C@H]1CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000514177091 503105358 /nfs/dbraw/zinc/10/53/58/503105358.db2.gz AMAOYWCJCHIEIM-UYAOXDASSA-N 1 1 370.449 3.350 20 5 FGBDMO Cc1ccccc1[C@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000507180794 503244353 /nfs/dbraw/zinc/24/43/53/503244353.db2.gz JFTSRVOJKKFLNO-KRWDZBQOSA-N 1 1 365.433 3.282 20 5 FGBDMO COc1cc(C[N@@H+](CCO)[C@@H]2CC[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000515011847 503250184 /nfs/dbraw/zinc/25/01/84/503250184.db2.gz UZAKVVOPPBCFAR-DGCLKSJQSA-N 1 1 374.384 3.188 20 5 FGBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000511097198 503253621 /nfs/dbraw/zinc/25/36/21/503253621.db2.gz UMTXXUJUOPJARI-LJQANCHMSA-N 1 1 367.449 3.263 20 5 FGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000511097198 503253624 /nfs/dbraw/zinc/25/36/24/503253624.db2.gz UMTXXUJUOPJARI-LJQANCHMSA-N 1 1 367.449 3.263 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511111536 503257898 /nfs/dbraw/zinc/25/78/98/503257898.db2.gz VGIRBRYKHYCNPJ-LBPRGKRZSA-N 1 1 362.817 3.145 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511111536 503257901 /nfs/dbraw/zinc/25/79/01/503257901.db2.gz VGIRBRYKHYCNPJ-LBPRGKRZSA-N 1 1 362.817 3.145 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cc(C)c3[nH+]ccn3c2)c1 ZINC000502818038 503280002 /nfs/dbraw/zinc/28/00/02/503280002.db2.gz ZJEVADLBRMUSBB-UHFFFAOYSA-N 1 1 354.366 3.267 20 5 FGBDMO Cc1ccccc1[C@]1(F)CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000502875883 503296111 /nfs/dbraw/zinc/29/61/11/503296111.db2.gz GJUHEIXWVLIPLA-IBGZPJMESA-N 1 1 357.385 3.073 20 5 FGBDMO Cc1ccccc1[C@]1(F)CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000502875883 503296115 /nfs/dbraw/zinc/29/61/15/503296115.db2.gz GJUHEIXWVLIPLA-IBGZPJMESA-N 1 1 357.385 3.073 20 5 FGBDMO Cc1ccccc1[C@@]1(F)CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000502890638 503300348 /nfs/dbraw/zinc/30/03/48/503300348.db2.gz BUJBSPXUGZRLCX-OXJNMPFZSA-N 1 1 374.412 3.214 20 5 FGBDMO Cc1ccccc1[C@@]1(F)CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000502890638 503300352 /nfs/dbraw/zinc/30/03/52/503300352.db2.gz BUJBSPXUGZRLCX-OXJNMPFZSA-N 1 1 374.412 3.214 20 5 FGBDMO COc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000507637416 503336104 /nfs/dbraw/zinc/33/61/04/503336104.db2.gz QCPIUTKFJSFNRS-RHSMWYFYSA-N 1 1 369.421 3.169 20 5 FGBDMO COc1cccc([C@H](C)[NH+]2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000507681923 503346163 /nfs/dbraw/zinc/34/61/63/503346163.db2.gz DZPCYXYBSISUOU-INIZCTEOSA-N 1 1 355.438 3.482 20 5 FGBDMO COc1cc(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000511677107 503367856 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RWVSOYYCJRRFKC-HNNXBMFYSA-N 1 1 357.385 3.186 20 5 FGBDMO CN(C(=O)C[N@H+]1CC[C@H](c2cccc(F)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000516201060 503469574 /nfs/dbraw/zinc/46/95/74/503469574.db2.gz RWVSOYYCJRRFKC-HNNXBMFYSA-N 1 1 357.385 3.186 20 5 FGBDMO O=[N+]([O-])c1cccc(OCC[N@H+](CCCO)[C@@H]2CCc3ccccc32)c1 ZINC000512335688 503523017 /nfs/dbraw/zinc/52/30/17/503523017.db2.gz HFQJQVSTOXKYFL-HXUWFJFHSA-N 1 1 356.422 3.346 20 5 FGBDMO CCc1ccc(C(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000512408298 503540797 /nfs/dbraw/zinc/54/07/97/503540797.db2.gz DNOLMSCIHLJGMA-UHFFFAOYSA-N 1 1 353.422 3.114 20 5 FGBDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000512450829 503555586 /nfs/dbraw/zinc/55/55/86/503555586.db2.gz VRKSNFAWEQDZEO-OCCSQVGLSA-N 1 1 369.849 3.202 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](OCC3CC3)C2)cccc1[N+](=O)[O-] ZINC000494654189 503584838 /nfs/dbraw/zinc/58/48/38/503584838.db2.gz WTYDDNXQGDJUEH-GOEBONIOSA-N 1 1 361.442 3.121 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](OCC3CC3)C2)cccc1[N+](=O)[O-] ZINC000494654189 503584842 /nfs/dbraw/zinc/58/48/42/503584842.db2.gz WTYDDNXQGDJUEH-GOEBONIOSA-N 1 1 361.442 3.121 20 5 FGBDMO NC(=O)c1ccc(C[N@H+]2CCCC[C@H]2Cc2ccccc2F)c([N+](=O)[O-])c1 ZINC000593084661 506382876 /nfs/dbraw/zinc/38/28/76/506382876.db2.gz RTLIEIWFKXVRPR-KRWDZBQOSA-N 1 1 371.412 3.430 20 5 FGBDMO Cc1c(CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cccc1[N+](=O)[O-] ZINC000517195990 503668949 /nfs/dbraw/zinc/66/89/49/503668949.db2.gz XHRTXNLNSKBPTI-LPHOPBHVSA-N 1 1 367.449 3.225 20 5 FGBDMO Cc1ccc([C@H]2CC[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000543248907 503699616 /nfs/dbraw/zinc/69/96/16/503699616.db2.gz HMZNKBIOSKZMOB-ROUUACIJSA-N 1 1 356.422 3.132 20 5 FGBDMO C[N@@H+](CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC000546527021 503776804 /nfs/dbraw/zinc/77/68/04/503776804.db2.gz WSGIAPQTNSIKIX-UHFFFAOYSA-N 1 1 373.428 3.260 20 5 FGBDMO NC(=O)c1ccc(C[NH2+][C@@H](CC(F)(F)F)c2ccccc2)c([N+](=O)[O-])c1 ZINC000537075991 503794451 /nfs/dbraw/zinc/79/44/51/503794451.db2.gz MTIHIMVSKHFVIW-AWEZNQCLSA-N 1 1 367.327 3.477 20 5 FGBDMO C[N@@H+]1CC=C(CNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000537190666 503834987 /nfs/dbraw/zinc/83/49/87/503834987.db2.gz SJXZXESCPRYPLI-UHFFFAOYSA-N 1 1 351.406 3.500 20 5 FGBDMO C[N@@H+]1CC=C(CNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000537243553 503855345 /nfs/dbraw/zinc/85/53/45/503855345.db2.gz KQMFPNKYHAFVKX-UHFFFAOYSA-N 1 1 366.421 3.330 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000533484615 503861131 /nfs/dbraw/zinc/86/11/31/503861131.db2.gz OHASPILZLZXCIP-GOSISDBHSA-N 1 1 354.410 3.464 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@H]3C3CCOCC3)n2)c1 ZINC000540824858 503905611 /nfs/dbraw/zinc/90/56/11/503905611.db2.gz JBKSBBBZQUNEBJ-MRXNPFEDSA-N 1 1 358.398 3.036 20 5 FGBDMO C[C@]12CCC[N@@H+]1C[C@@H](c1noc(/C=C\c3cccc([N+](=O)[O-])c3)n1)OC2 ZINC000518835180 504074879 /nfs/dbraw/zinc/07/48/79/504074879.db2.gz GEROAKDEGJYPDT-ZNUVNQELSA-N 1 1 356.382 3.074 20 5 FGBDMO C[C@]12CCC[N@H+]1C[C@@H](c1noc(/C=C\c3cccc([N+](=O)[O-])c3)n1)OC2 ZINC000518835180 504074884 /nfs/dbraw/zinc/07/48/84/504074884.db2.gz GEROAKDEGJYPDT-ZNUVNQELSA-N 1 1 356.382 3.074 20 5 FGBDMO COc1cc(C[NH2+][C@H](c2nnc3ccccn32)C(C)C)ccc1[N+](=O)[O-] ZINC000544432314 504131618 /nfs/dbraw/zinc/13/16/18/504131618.db2.gz BVRUJSIOOBMUDX-KRWDZBQOSA-N 1 1 355.398 3.133 20 5 FGBDMO COc1ccc(F)cc1[C@H](C)[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000538167750 504151569 /nfs/dbraw/zinc/15/15/69/504151569.db2.gz OCDCAZNJXIKHGI-LBPRGKRZSA-N 1 1 361.373 3.340 20 5 FGBDMO CCC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000538336992 504212188 /nfs/dbraw/zinc/21/21/88/504212188.db2.gz GBGAPMXPFRFKTB-INIZCTEOSA-N 1 1 356.426 3.050 20 5 FGBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000538582641 504292463 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ZINC000609075606 506769938 /nfs/dbraw/zinc/76/99/38/506769938.db2.gz GPJPKVBSJIMYTI-UHFFFAOYSA-N 1 1 355.438 3.230 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@@H]([C@@H]3CCCCO3)C1)OCCO2 ZINC000597225697 506846176 /nfs/dbraw/zinc/84/61/76/506846176.db2.gz SRANJMPOPNIOAF-PBHICJAKSA-N 1 1 362.426 3.147 20 5 FGBDMO O=C1CCCN1C[C@@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000597228848 506847936 /nfs/dbraw/zinc/84/79/36/506847936.db2.gz PNAVAAKUQMEKSR-OAHLLOKOSA-N 1 1 369.421 3.299 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+]3C[C@@H](C)[C@@](C)(CO)C3)o2)c([N+](=O)[O-])c1 ZINC000597234876 506851104 /nfs/dbraw/zinc/85/11/04/506851104.db2.gz CMVWQBWWIVOMDT-BFUOFWGJSA-N 1 1 360.410 3.314 20 5 FGBDMO CC[NH+]1C[C@H](C)N(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000583588404 506864073 /nfs/dbraw/zinc/86/40/73/506864073.db2.gz BMNRQQYDEIFLIP-MELADBBJSA-N 1 1 351.472 3.017 20 5 FGBDMO Cn1cc([C@@H]2C[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)CC2(C)C)cn1 ZINC000593998714 506874601 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ROSCUIMEIMHJJB-UHFFFAOYSA-N 1 1 356.378 3.028 20 5 FGBDMO COc1cccc2c1C[N@@H+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)CC2 ZINC000590660585 506898814 /nfs/dbraw/zinc/89/88/14/506898814.db2.gz ROSCUIMEIMHJJB-UHFFFAOYSA-N 1 1 356.378 3.028 20 5 FGBDMO COc1ccc(OCC[N@@H+]2CCc3cccc(OC)c3C2)c([N+](=O)[O-])c1 ZINC000590759783 506941592 /nfs/dbraw/zinc/94/15/92/506941592.db2.gz NQLQKGNTFDYCOA-UHFFFAOYSA-N 1 1 358.394 3.049 20 5 FGBDMO COc1ccc(OCC[N@H+]2CCc3cccc(OC)c3C2)c([N+](=O)[O-])c1 ZINC000590759783 506941597 /nfs/dbraw/zinc/94/15/97/506941597.db2.gz NQLQKGNTFDYCOA-UHFFFAOYSA-N 1 1 358.394 3.049 20 5 FGBDMO CNc1ccc(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000609610304 506943835 /nfs/dbraw/zinc/94/38/35/506943835.db2.gz VNHFMXOJJQYVTB-JKSUJKDBSA-N 1 1 374.485 3.363 20 5 FGBDMO CC[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CCc1ccccc1 ZINC000609766503 506993959 /nfs/dbraw/zinc/99/39/59/506993959.db2.gz YYSJTVMMDMRTNK-UHFFFAOYSA-N 1 1 369.421 3.457 20 5 FGBDMO CC(C)(C(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000610036194 507078639 /nfs/dbraw/zinc/07/86/39/507078639.db2.gz RPFNQXVZPDYLFS-UHFFFAOYSA-N 1 1 367.449 3.217 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000597861680 507138948 /nfs/dbraw/zinc/13/89/48/507138948.db2.gz VGDIVNABRKJWBN-LLVKDONJSA-N 1 1 371.384 3.046 20 5 FGBDMO Cc1[nH+]c(N2CCOCC2)ccc1N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594504923 507158825 /nfs/dbraw/zinc/15/88/25/507158825.db2.gz OOANLVDAXKCUOZ-QGZVFWFLSA-N 1 1 354.410 3.234 20 5 FGBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000584123856 507165754 /nfs/dbraw/zinc/16/57/54/507165754.db2.gz LRGAZCYQXJITCS-CQSZACIVSA-N 1 1 368.453 3.103 20 5 FGBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597922470 507175725 /nfs/dbraw/zinc/17/57/25/507175725.db2.gz DEGYSXRLJZOJMP-AAEUAGOBSA-N 1 1 369.849 3.005 20 5 FGBDMO CCCn1cc[nH+]c1CCCN(C)c1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000594575137 507192562 /nfs/dbraw/zinc/19/25/62/507192562.db2.gz CGYJXYNQNKGNCZ-UHFFFAOYSA-N 1 1 361.446 3.453 20 5 FGBDMO Cc1cc(C)cc(OCC[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000610391350 507223614 /nfs/dbraw/zinc/22/36/14/507223614.db2.gz WWYNUIYHCCCORR-INIZCTEOSA-N 1 1 356.426 3.172 20 5 FGBDMO CCCCNC(=O)C1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601103547 507262008 /nfs/dbraw/zinc/26/20/08/507262008.db2.gz DCMQYMKMMNFDJK-UHFFFAOYSA-N 1 1 356.426 3.276 20 5 FGBDMO C[C@@](CO)([NH2+]Cc1csc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000601148640 507278115 /nfs/dbraw/zinc/27/81/15/507278115.db2.gz GBLCAYXHBCCYTM-AWEZNQCLSA-N 1 1 371.256 3.416 20 5 FGBDMO Cc1ccc([C@@H](C)NC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000610595645 507311302 /nfs/dbraw/zinc/31/13/02/507311302.db2.gz GERWSJHMQSIAEN-GDBMZVCRSA-N 1 1 360.458 3.280 20 5 FGBDMO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000598218024 507321226 /nfs/dbraw/zinc/32/12/26/507321226.db2.gz CKUWGEJNMLKPKQ-MRXNPFEDSA-N 1 1 373.453 3.081 20 5 FGBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000598218943 507323599 /nfs/dbraw/zinc/32/35/99/507323599.db2.gz JUIQTXGDAQRWPG-AWEZNQCLSA-N 1 1 365.861 3.314 20 5 FGBDMO C[C@H]1C[C@@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000601309778 507330241 /nfs/dbraw/zinc/33/02/41/507330241.db2.gz VDNUGHYAWLPAFZ-DZGCQCFKSA-N 1 1 357.385 3.127 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](CC(=O)N(C)C)c1ccccc1 ZINC000595018109 507355947 /nfs/dbraw/zinc/35/59/47/507355947.db2.gz QCBDZLQMUZAYDO-KSSFIOAISA-N 1 1 371.437 3.474 20 5 FGBDMO C[C@@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000601414755 507359097 /nfs/dbraw/zinc/35/90/97/507359097.db2.gz HCYMZMGEGXGQOB-ZBFHGGJFSA-N 1 1 371.412 3.374 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000601465696 507368514 /nfs/dbraw/zinc/36/85/14/507368514.db2.gz WRBKSZNRFBZXLM-GOSISDBHSA-N 1 1 371.412 3.374 20 5 FGBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000595081621 507382494 /nfs/dbraw/zinc/38/24/94/507382494.db2.gz SZFVXNPKFLZCSA-WBVHZDCISA-N 1 1 374.485 3.309 20 5 FGBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000595081621 507382499 /nfs/dbraw/zinc/38/24/99/507382499.db2.gz SZFVXNPKFLZCSA-WBVHZDCISA-N 1 1 374.485 3.309 20 5 FGBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C1 ZINC000598341587 507385065 /nfs/dbraw/zinc/38/50/65/507385065.db2.gz DFRDEBUANTUTJJ-CYBMUJFWSA-N 1 1 351.472 3.309 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](CCC)C1 ZINC000598341892 507385308 /nfs/dbraw/zinc/38/53/08/507385308.db2.gz HWAISLCOHVKONK-CYBMUJFWSA-N 1 1 351.472 3.311 20 5 FGBDMO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595318092 507460335 /nfs/dbraw/zinc/46/03/35/507460335.db2.gz KSCHXDWPKVLPQL-ZDUSSCGKSA-N 1 1 351.422 3.108 20 5 FGBDMO CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595318092 507460338 /nfs/dbraw/zinc/46/03/38/507460338.db2.gz KSCHXDWPKVLPQL-ZDUSSCGKSA-N 1 1 351.422 3.108 20 5 FGBDMO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)nc1 ZINC000595378376 507476768 /nfs/dbraw/zinc/47/67/68/507476768.db2.gz SIMPTVRSVIMOQC-HNNXBMFYSA-N 1 1 372.400 3.288 20 5 FGBDMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)nc1 ZINC000595378376 507476777 /nfs/dbraw/zinc/47/67/77/507476777.db2.gz SIMPTVRSVIMOQC-HNNXBMFYSA-N 1 1 372.400 3.288 20 5 FGBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCSc1ccc(F)cc1F)CC2 ZINC000595425959 507491317 /nfs/dbraw/zinc/49/13/17/507491317.db2.gz WPRJLTGLOHPUPS-UHFFFAOYSA-N 1 1 351.378 3.418 20 5 FGBDMO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000595442129 507499195 /nfs/dbraw/zinc/49/91/95/507499195.db2.gz RAYMDVFVIRMNIV-UHFFFAOYSA-N 1 1 362.376 3.443 20 5 FGBDMO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000595443115 507499870 /nfs/dbraw/zinc/49/98/70/507499870.db2.gz YGPHEFYTARPQRH-UHFFFAOYSA-N 1 1 359.405 3.041 20 5 FGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C(=O)NCc2ccccc2)C1 ZINC000592153935 507509499 /nfs/dbraw/zinc/50/94/99/507509499.db2.gz DMTWUIDSHHGUJQ-MAUKXSAKSA-N 1 1 353.422 3.294 20 5 FGBDMO Cc1noc(C[NH2+][C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000595488772 507526861 /nfs/dbraw/zinc/52/68/61/507526861.db2.gz MLWUWGFNPJDXBP-BBRMVZONSA-N 1 1 368.796 3.219 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000592183466 507528265 /nfs/dbraw/zinc/52/82/65/507528265.db2.gz JEOQLBYLUVNUJG-HNNXBMFYSA-N 1 1 361.442 3.123 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000592187647 507530244 /nfs/dbraw/zinc/53/02/44/507530244.db2.gz NQAOWJYAYDWKGU-LJQANCHMSA-N 1 1 351.406 3.150 20 5 FGBDMO C[N@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 ZINC000611201664 507560173 /nfs/dbraw/zinc/56/01/73/507560173.db2.gz VQFUZUYNXDTUOG-CYBMUJFWSA-N 1 1 363.483 3.454 20 5 FGBDMO C[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000595583767 507575425 /nfs/dbraw/zinc/57/54/25/507575425.db2.gz ZIDSVBFRPXBPSV-ZBFHGGJFSA-N 1 1 360.458 3.077 20 5 FGBDMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611271262 507594321 /nfs/dbraw/zinc/59/43/21/507594321.db2.gz DCXPNVGRLJHNST-CYBMUJFWSA-N 1 1 358.394 3.135 20 5 FGBDMO COc1ccccc1CC[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611268968 507594716 /nfs/dbraw/zinc/59/47/16/507594716.db2.gz WALHLAWNBWRICC-UHFFFAOYSA-N 1 1 358.394 3.049 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@H]3CCOc4ccccc43)C2)nc1 ZINC000611272358 507597429 /nfs/dbraw/zinc/59/74/29/507597429.db2.gz BCCXKALNSAJYLF-HUUCEWRRSA-N 1 1 354.410 3.042 20 5 FGBDMO Cc1c(C[N@@H+](Cc2ccccc2)[C@@]2(CO)CCOC2)cccc1[N+](=O)[O-] ZINC000585718495 507604731 /nfs/dbraw/zinc/60/47/31/507604731.db2.gz ILYGXOSRDQCTLP-HXUWFJFHSA-N 1 1 356.422 3.057 20 5 FGBDMO COc1cc(C[N@H+]2CCCCC[C@@H]2CCO)c([N+](=O)[O-])cc1OC(F)F ZINC000585754549 507618123 /nfs/dbraw/zinc/61/81/23/507618123.db2.gz QVOZILOAWJNNAE-CYBMUJFWSA-N 1 1 374.384 3.332 20 5 FGBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1ccc2cn[nH]c2c1 ZINC000585765579 507621260 /nfs/dbraw/zinc/62/12/60/507621260.db2.gz VHGUOLYCOWQVBN-CYBMUJFWSA-N 1 1 367.409 3.021 20 5 FGBDMO C[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])[C@H]1CCO ZINC000595687924 507627729 /nfs/dbraw/zinc/62/77/29/507627729.db2.gz FXGXMIIFTIAYTC-RISCZKNCSA-N 1 1 357.248 3.340 20 5 FGBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])[C@H]1CCO ZINC000595687924 507627734 /nfs/dbraw/zinc/62/77/34/507627734.db2.gz FXGXMIIFTIAYTC-RISCZKNCSA-N 1 1 357.248 3.340 20 5 FGBDMO COC(=O)[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000595740186 507657795 /nfs/dbraw/zinc/65/77/95/507657795.db2.gz VZPVGSWHVQLRJQ-IOASZLSFSA-N 1 1 350.390 3.288 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000595740186 507657803 /nfs/dbraw/zinc/65/78/03/507657803.db2.gz VZPVGSWHVQLRJQ-IOASZLSFSA-N 1 1 350.390 3.288 20 5 FGBDMO O=[N+]([O-])c1sc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)cc1Br ZINC000602442616 507712476 /nfs/dbraw/zinc/71/24/76/507712476.db2.gz ZYXACEAIOIXUES-VIFPVBQESA-N 1 1 361.261 3.420 20 5 FGBDMO Cn1ccnc1[C@@H](C1CC1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602478152 507721027 /nfs/dbraw/zinc/72/10/27/507721027.db2.gz VPQLCTDICYWISN-GOSISDBHSA-N 1 1 356.426 3.323 20 5 FGBDMO O=[N+]([O-])c1sc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Br ZINC000602515756 507733559 /nfs/dbraw/zinc/73/35/59/507733559.db2.gz DFLZTBZKSUECKW-VHSXEESVSA-N 1 1 360.277 3.135 20 5 FGBDMO C[C@@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000611572901 507747150 /nfs/dbraw/zinc/74/71/50/507747150.db2.gz PHRCJNRWUAYZRU-HIFRSBDPSA-N 1 1 370.453 3.459 20 5 FGBDMO CC(C)N(C(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000592694668 507766821 /nfs/dbraw/zinc/76/68/21/507766821.db2.gz NFBQJKPFSWILNA-GOSISDBHSA-N 1 1 368.437 3.115 20 5 FGBDMO CC(C)N(C(=O)c1cc([N+](=O)[O-])cn1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000592694604 507767326 /nfs/dbraw/zinc/76/73/26/507767326.db2.gz ISRMANXQMFUQAR-QGZVFWFLSA-N 1 1 370.453 3.058 20 5 FGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000826498430 607706629 /nfs/dbraw/zinc/70/66/29/607706629.db2.gz UMLUANWCQGCBQB-UHFFFAOYSA-N 1 1 370.800 3.207 20 5 FGBDMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000006335625 695556295 /nfs/dbraw/zinc/55/62/95/695556295.db2.gz HNNDKJGOEQMJHG-HNNXBMFYSA-N 1 1 363.801 3.408 20 5 FGBDMO Cn1cc([C@@H](O)C[C@@H]2CCC[N@H+]2Cc2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000374305883 713912195 /nfs/dbraw/zinc/91/21/95/713912195.db2.gz APSLIKWBJNWTFM-YOEHRIQHSA-N 1 1 364.833 3.070 20 5 FGBDMO Cc1[nH+]c(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2n1CCCC2 ZINC000374505571 713926837 /nfs/dbraw/zinc/92/68/37/713926837.db2.gz OLELVBGFGKAJMG-UHFFFAOYSA-N 1 1 363.805 3.411 20 5 FGBDMO CC[N@H+]1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000618588308 714759705 /nfs/dbraw/zinc/75/97/05/714759705.db2.gz XKQXISCEGTZZLP-VIFPVBQESA-N 1 1 368.306 3.174 20 5 FGBDMO CCOC(=O)CC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000619531782 714849056 /nfs/dbraw/zinc/84/90/56/714849056.db2.gz MHQXNBCUDAFFGE-CQSZACIVSA-N 1 1 350.415 3.159 20 5 FGBDMO CC[N@@H+]1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000804795621 724551052 /nfs/dbraw/zinc/55/10/52/724551052.db2.gz VQHWFLMALOYJAZ-VIFPVBQESA-N 1 1 362.308 3.052 20 5 FGBDMO CC[N@H+]1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000804795621 724551055 /nfs/dbraw/zinc/55/10/55/724551055.db2.gz VQHWFLMALOYJAZ-VIFPVBQESA-N 1 1 362.308 3.052 20 5 FGBDMO CN(c1ccc([N+](=O)[O-])cc1Br)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000804814707 724553203 /nfs/dbraw/zinc/55/32/03/724553203.db2.gz HNYJNUCFWDSHEZ-QYJAPNMZSA-N 1 1 354.248 3.419 20 5 FGBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC001164636422 719248787 /nfs/dbraw/zinc/24/87/87/719248787.db2.gz SRXUBVPNLRHTLG-NWDGAFQWSA-N 1 1 361.833 3.234 20 5 FGBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000732575509 722486151 /nfs/dbraw/zinc/48/61/51/722486151.db2.gz GHISPZDGSQIYCP-GFCCVEGCSA-N 1 1 353.850 3.489 20 5 FGBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000732575874 722486182 /nfs/dbraw/zinc/48/61/82/722486182.db2.gz RNLZFYOSANKWOU-FRRDWIJNSA-N 1 1 353.850 3.344 20 5 FGBDMO O=C1[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCN1Cc1ccccc1 ZINC000748820448 722705715 /nfs/dbraw/zinc/70/57/15/722705715.db2.gz KUTHLHQSHLWALF-KRWDZBQOSA-N 1 1 359.813 3.139 20 5 FGBDMO CC(C)n1cc([C@@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cn1 ZINC000754806269 722946009 /nfs/dbraw/zinc/94/60/09/722946009.db2.gz GHLLWOKAHQWRJH-LLVKDONJSA-N 1 1 365.821 3.315 20 5 FGBDMO C[C@@H](CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCCC[C@H]1C ZINC000756922514 722971901 /nfs/dbraw/zinc/97/19/01/722971901.db2.gz RMRKGWMUMSOSHK-OLZOCXBDSA-N 1 1 368.865 3.310 20 5 FGBDMO Cc1cc(C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)c(N)c([N+](=O)[O-])c1 ZINC000794223664 723500543 /nfs/dbraw/zinc/50/05/43/723500543.db2.gz YYXIIHACTACIFF-UHFFFAOYSA-N 1 1 362.817 3.453 20 5 FGBDMO Cc1[nH+]ccn1CCCOC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000767643577 723626506 /nfs/dbraw/zinc/62/65/06/723626506.db2.gz HOWIRITZZBQYJN-UHFFFAOYSA-N 1 1 368.187 3.109 20 5 FGBDMO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000768903002 723671719 /nfs/dbraw/zinc/67/17/19/723671719.db2.gz HWPMVMVSBRDEEB-NSHDSACASA-N 1 1 365.231 3.460 20 5 FGBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000768903002 723671720 /nfs/dbraw/zinc/67/17/20/723671720.db2.gz HWPMVMVSBRDEEB-NSHDSACASA-N 1 1 365.231 3.460 20 5 FGBDMO O=[N+]([O-])c1ccc(NC(=S)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000772815621 723768919 /nfs/dbraw/zinc/76/89/19/723768919.db2.gz DTSGHPDMPVYNGZ-DYVFJYSZSA-N 1 1 360.483 3.240 20 5 FGBDMO O=[N+]([O-])c1cc2cnn(C[N@H+]3CCC[C@H]([C@@H]4CCOC4)C3)c2c(Cl)c1 ZINC000774638430 723913245 /nfs/dbraw/zinc/91/32/45/723913245.db2.gz GYTSQSPMTBOILD-QWHCGFSZSA-N 1 1 364.833 3.304 20 5 FGBDMO CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000798964413 723980883 /nfs/dbraw/zinc/98/08/83/723980883.db2.gz PWFUECMTFFUCLV-QGZVFWFLSA-N 1 1 370.833 3.040 20 5 FGBDMO CCOC(=O)[C@]1(COC)CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000798964413 723980885 /nfs/dbraw/zinc/98/08/85/723980885.db2.gz PWFUECMTFFUCLV-QGZVFWFLSA-N 1 1 370.833 3.040 20 5 FGBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776275076 724127349 /nfs/dbraw/zinc/12/73/49/724127349.db2.gz JAFBRJRFVWSNDB-MRXNPFEDSA-N 1 1 365.773 3.322 20 5 FGBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776275076 724127355 /nfs/dbraw/zinc/12/73/55/724127355.db2.gz JAFBRJRFVWSNDB-MRXNPFEDSA-N 1 1 365.773 3.322 20 5 FGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000801519643 724309569 /nfs/dbraw/zinc/30/95/69/724309569.db2.gz TYXOLMFNWVHZPX-ZDUSSCGKSA-N 1 1 353.394 3.175 20 5 FGBDMO CCOCCC[N@H+]1CC[C@H](NCc2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000787301685 725024002 /nfs/dbraw/zinc/02/40/02/725024002.db2.gz CNHJGEGKTMBQON-YOEHRIQHSA-N 1 1 369.893 3.475 20 5 FGBDMO Cn1ccnc1[C@H]1CC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000787653149 725034179 /nfs/dbraw/zinc/03/41/79/725034179.db2.gz LWARMNLXFWVCLZ-LBPRGKRZSA-N 1 1 365.231 3.080 20 5 FGBDMO Cn1ccnc1[C@H]1CC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000787653149 725034180 /nfs/dbraw/zinc/03/41/80/725034180.db2.gz LWARMNLXFWVCLZ-LBPRGKRZSA-N 1 1 365.231 3.080 20 5 FGBDMO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000788274247 725054245 /nfs/dbraw/zinc/05/42/45/725054245.db2.gz KSNONRZMKBHDMP-AWEZNQCLSA-N 1 1 353.850 3.471 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)OCCSc2ccc([N+](=O)[O-])cc2)C1 ZINC000810668682 725321580 /nfs/dbraw/zinc/32/15/80/725321580.db2.gz XMNKAAJXFQVGTA-QGZVFWFLSA-N 1 1 370.446 3.443 20 5 FGBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000811601201 725374592 /nfs/dbraw/zinc/37/45/92/725374592.db2.gz RYNQMTQCXKRABB-LLVKDONJSA-N 1 1 359.829 3.166 20 5 FGBDMO COC(=O)c1cc([N+](=O)[O-])c(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1Cl ZINC000811812434 725381175 /nfs/dbraw/zinc/38/11/75/725381175.db2.gz RLESRJAMJHHMJG-VHSXEESVSA-N 1 1 353.806 3.072 20 5 FGBDMO C[C@@H]1Cc2[nH+]cn(CC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2C[C@@H]1C ZINC000829812551 729513892 /nfs/dbraw/zinc/51/38/92/729513892.db2.gz YUAPQKUSHDPXCE-MNOVXSKESA-N 1 1 362.817 3.454 20 5 FGBDMO O=C(C[N@@H+]1CCC[C@@]2(CCSC2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000832506250 729717618 /nfs/dbraw/zinc/71/76/18/729717618.db2.gz YHFMKXQYFFSYQA-MRXNPFEDSA-N 1 1 369.874 3.406 20 5 FGBDMO O=C(C[N@H+]1CCC[C@@]2(CCSC2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000832506250 729717619 /nfs/dbraw/zinc/71/76/19/729717619.db2.gz YHFMKXQYFFSYQA-MRXNPFEDSA-N 1 1 369.874 3.406 20 5 FGBDMO COC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000832744459 729729478 /nfs/dbraw/zinc/72/94/78/729729478.db2.gz DPASSDZLSIHDNE-STQMWFEESA-N 1 1 369.849 3.324 20 5 FGBDMO COC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000832744459 729729479 /nfs/dbraw/zinc/72/94/79/729729479.db2.gz DPASSDZLSIHDNE-STQMWFEESA-N 1 1 369.849 3.324 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)cc1Cl ZINC000836461330 729956565 /nfs/dbraw/zinc/95/65/65/729956565.db2.gz CMBVKZOMLXHWLV-DGCLKSJQSA-N 1 1 353.850 3.407 20 5 FGBDMO CC[C@H](C)[NH+]1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000837004512 729986130 /nfs/dbraw/zinc/98/61/30/729986130.db2.gz HGMMZSQTXPLCGX-JTQLQIEISA-N 1 1 360.241 3.458 20 5 FGBDMO C[C@@H]1C[N@@H+](C)[C@H](C)[C@H](C)N1C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000844643400 730745301 /nfs/dbraw/zinc/74/53/01/730745301.db2.gz QYXLEPQYIPDYFL-BBBLOLIVSA-N 1 1 360.241 3.455 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000852498060 731593484 /nfs/dbraw/zinc/59/34/84/731593484.db2.gz ZMYHEHCSTSKDPO-UXLLHSPISA-N 1 1 350.390 3.288 20 5 FGBDMO C[C@@H](Nc1cc(F)c([N+](=O)[O-])cc1CO)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000865667578 733249124 /nfs/dbraw/zinc/24/91/24/733249124.db2.gz MNAHJIXKISXAEE-CHWSQXEVSA-N 1 1 351.422 3.291 20 5 FGBDMO CN(Cc1csc(C(C)(C)O)n1)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000865861308 733283118 /nfs/dbraw/zinc/28/31/18/733283118.db2.gz QOPHBMUEGZVFBG-UHFFFAOYSA-N 1 1 358.423 3.463 20 5 FGBDMO C[C@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872031149 735579171 /nfs/dbraw/zinc/57/91/71/735579171.db2.gz MLJYLLDVYPQIAC-LBPRGKRZSA-N 1 1 366.414 3.129 20 5 FGBDMO CCOC[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878162858 736782939 /nfs/dbraw/zinc/78/29/39/736782939.db2.gz QUNKKXLMAZWQEG-NSHDSACASA-N 1 1 366.805 3.157 20 5 FGBDMO Cc1csc([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000880009107 737098639 /nfs/dbraw/zinc/09/86/39/737098639.db2.gz ZSLYJIRUIBGANK-STQMWFEESA-N 1 1 360.439 3.176 20 5 FGBDMO Cc1csc([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000880009107 737098647 /nfs/dbraw/zinc/09/86/47/737098647.db2.gz ZSLYJIRUIBGANK-STQMWFEESA-N 1 1 360.439 3.176 20 5 FGBDMO C[C@@](CO)([NH2+]Cc1cccnc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000886014309 739209458 /nfs/dbraw/zinc/20/94/58/739209458.db2.gz DVGLZKBJTWHOLQ-HNNXBMFYSA-N 1 1 355.316 3.006 20 5 FGBDMO CC1(C)CC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000890069554 739753373 /nfs/dbraw/zinc/75/33/73/739753373.db2.gz ZMMBEEBFKJPKRA-UHFFFAOYSA-N 1 1 359.348 3.075 20 5 FGBDMO CN(C)c1nc(C(F)(F)F)ccc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000893328818 742141039 /nfs/dbraw/zinc/14/10/39/742141039.db2.gz NNRHMXCGYPUIQY-UHFFFAOYSA-N 1 1 354.332 3.364 20 5 FGBDMO Cc1nnc([C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)[nH]1 ZINC000895011470 742364502 /nfs/dbraw/zinc/36/45/02/742364502.db2.gz JENDDSJQSCVQQX-NSHDSACASA-N 1 1 355.320 3.030 20 5 FGBDMO Cc1n[nH]c([C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)n1 ZINC000895011470 742364506 /nfs/dbraw/zinc/36/45/06/742364506.db2.gz JENDDSJQSCVQQX-NSHDSACASA-N 1 1 355.320 3.030 20 5 FGBDMO Cc1n[nH]c([C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)n1 ZINC000895011470 742364512 /nfs/dbraw/zinc/36/45/12/742364512.db2.gz JENDDSJQSCVQQX-NSHDSACASA-N 1 1 355.320 3.030 20 5 FGBDMO O=[N+]([O-])c1cc(NC[C@H]2CC[N@H+]2C2CCOCC2)ccc1C(F)(F)F ZINC000896520967 742561629 /nfs/dbraw/zinc/56/16/29/742561629.db2.gz ARCJXQLUJHVAOC-CYBMUJFWSA-N 1 1 359.348 3.279 20 5 FGBDMO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@H]2Cc2ccc(Br)cc2)c1 ZINC000920758250 758597036 /nfs/dbraw/zinc/59/70/36/758597036.db2.gz PFZXJNJWSJESKK-AWEZNQCLSA-N 1 1 365.231 3.218 20 5 FGBDMO COC(=O)c1cnc([C@H]2CC[N@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)s1 ZINC000932669683 761214172 /nfs/dbraw/zinc/21/41/72/761214172.db2.gz PTTYPELSJRRDOD-RYUDHWBXSA-N 1 1 361.423 3.388 20 5 FGBDMO Cc1noc(C[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)n1 ZINC000933563812 761427496 /nfs/dbraw/zinc/42/74/96/761427496.db2.gz GDYBOATXOROBIY-GFCCVEGCSA-N 1 1 350.806 3.394 20 5 FGBDMO Cc1noc(C[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)n1 ZINC000933563812 761427499 /nfs/dbraw/zinc/42/74/99/761427499.db2.gz GDYBOATXOROBIY-GFCCVEGCSA-N 1 1 350.806 3.394 20 5 FGBDMO O=C1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CCCCCN1 ZINC000934156603 761549467 /nfs/dbraw/zinc/54/94/67/761549467.db2.gz QMMNJRMNWLKKDT-UHFFFAOYSA-N 1 1 359.348 3.106 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000934774136 761714678 /nfs/dbraw/zinc/71/46/78/761714678.db2.gz SGLDQYQMJGZQJB-NDGTYSDOSA-N 1 1 360.439 3.391 20 5 FGBDMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C2CC2)C[C@@H]1C ZINC000570854939 505595953 /nfs/dbraw/zinc/59/59/53/505595953.db2.gz QQNASNLCYNOGGP-KBPBESRZSA-N 1 1 370.457 3.107 20 5 FGBDMO C[NH+]1CCC([C@H]2CCN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)CC1 ZINC000568118976 505621381 /nfs/dbraw/zinc/62/13/81/505621381.db2.gz VPYWPGQGSSRTIW-AWEZNQCLSA-N 1 1 369.412 3.360 20 5 FGBDMO O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000579912684 505644396 /nfs/dbraw/zinc/64/43/96/505644396.db2.gz LRFQRFHCBGNIOP-SFHVURJKSA-N 1 1 360.458 3.191 20 5 FGBDMO Cc1cc(CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cc(N2CCCC2)[nH+]1 ZINC000571129558 505659278 /nfs/dbraw/zinc/65/92/78/505659278.db2.gz ULIPGNNZUQYFLC-UHFFFAOYSA-N 1 1 373.388 3.359 20 5 FGBDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)COc2ccccc2[N+](=O)[O-])c1 ZINC000068271225 493788946 /nfs/dbraw/zinc/78/89/46/493788946.db2.gz HRCTXBSGTATIDV-UHFFFAOYSA-N 1 1 371.437 3.130 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000081126674 493837765 /nfs/dbraw/zinc/83/77/65/493837765.db2.gz LFYDTYYBBYYPCP-GOSISDBHSA-N 1 1 353.422 3.250 20 5 FGBDMO C[N@@H+](CCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C1CCCCC1 ZINC000029526811 493842272 /nfs/dbraw/zinc/84/22/72/493842272.db2.gz FWZVHMJJUMIRJX-UHFFFAOYSA-N 1 1 369.487 3.065 20 5 FGBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000081293241 493862159 /nfs/dbraw/zinc/86/21/59/493862159.db2.gz YIBDMBHKTMVNBT-OAHLLOKOSA-N 1 1 365.861 3.171 20 5 FGBDMO COc1ccc(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1[N+](=O)[O-] ZINC000076395733 493884591 /nfs/dbraw/zinc/88/45/91/493884591.db2.gz WXDPGEJMHJNRNW-HNNXBMFYSA-N 1 1 367.409 3.026 20 5 FGBDMO COc1ccc(C[N@H+]2CCCN(c3cccc(F)c3[N+](=O)[O-])CC2)cc1 ZINC000049980511 493888984 /nfs/dbraw/zinc/88/89/84/493888984.db2.gz OFUHJPMNHSJZRD-UHFFFAOYSA-N 1 1 359.401 3.455 20 5 FGBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000081533999 493911099 /nfs/dbraw/zinc/91/10/99/493911099.db2.gz BMDYGESLMLUZNI-IBGZPJMESA-N 1 1 371.412 3.357 20 5 FGBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000081533999 493911104 /nfs/dbraw/zinc/91/11/04/493911104.db2.gz BMDYGESLMLUZNI-IBGZPJMESA-N 1 1 371.412 3.357 20 5 FGBDMO C[C@@H]1C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H]1c1ccccc1 ZINC000081573561 493920820 /nfs/dbraw/zinc/92/08/20/493920820.db2.gz TVVZCDRNVTUCPI-VLIAUNLRSA-N 1 1 351.406 3.177 20 5 FGBDMO C[C@@H]1C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H]1c1ccccc1 ZINC000081573561 493920823 /nfs/dbraw/zinc/92/08/23/493920823.db2.gz TVVZCDRNVTUCPI-VLIAUNLRSA-N 1 1 351.406 3.177 20 5 FGBDMO Cc1cc(NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000051621615 493979270 /nfs/dbraw/zinc/97/92/70/493979270.db2.gz XODRATZJERIDDW-UHFFFAOYSA-N 1 1 368.437 3.418 20 5 FGBDMO O=C(Nc1ccccc1)[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000052315305 494017972 /nfs/dbraw/zinc/01/79/72/494017972.db2.gz DUWALVRPFWDJMC-INIZCTEOSA-N 1 1 369.421 3.324 20 5 FGBDMO COc1ccc(C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000052314990 494018563 /nfs/dbraw/zinc/01/85/63/494018563.db2.gz GXJLCVASRDADQK-INIZCTEOSA-N 1 1 369.421 3.454 20 5 FGBDMO O=C(CC[N@@H+]1CCc2c(F)ccc(F)c2C1)Nc1ccccc1[N+](=O)[O-] ZINC000084135609 494050757 /nfs/dbraw/zinc/05/07/57/494050757.db2.gz OLPLEFHUXQLEJZ-UHFFFAOYSA-N 1 1 361.348 3.260 20 5 FGBDMO O=C(CC[N@H+]1CCc2c(F)ccc(F)c2C1)Nc1ccccc1[N+](=O)[O-] ZINC000084135609 494050761 /nfs/dbraw/zinc/05/07/61/494050761.db2.gz OLPLEFHUXQLEJZ-UHFFFAOYSA-N 1 1 361.348 3.260 20 5 FGBDMO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)C[C@@H]1COc2ccccc2O1 ZINC000037117538 494101775 /nfs/dbraw/zinc/10/17/75/494101775.db2.gz WWWRROSGNSZZJU-MRXNPFEDSA-N 1 1 358.394 3.265 20 5 FGBDMO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)C[C@@H]1COc2ccccc2O1 ZINC000037117538 494101781 /nfs/dbraw/zinc/10/17/81/494101781.db2.gz WWWRROSGNSZZJU-MRXNPFEDSA-N 1 1 358.394 3.265 20 5 FGBDMO COc1ccc(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000053417404 494128795 /nfs/dbraw/zinc/12/87/95/494128795.db2.gz HCDKVRSZPAACGT-GASCZTMLSA-N 1 1 363.458 3.091 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000085634064 494134749 /nfs/dbraw/zinc/13/47/49/494134749.db2.gz DYPSWHHKQQTJOG-UHFFFAOYSA-N 1 1 368.437 3.391 20 5 FGBDMO O=C(C[N@@H+]1CCC[C@@H]1c1cccc(F)c1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000053718270 494160513 /nfs/dbraw/zinc/16/05/13/494160513.db2.gz KMRBOVTYPJSROU-GOSISDBHSA-N 1 1 369.396 3.460 20 5 FGBDMO O=C(C[N@H+]1CCC[C@@H]1c1cccc(F)c1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000053718270 494160517 /nfs/dbraw/zinc/16/05/17/494160517.db2.gz KMRBOVTYPJSROU-GOSISDBHSA-N 1 1 369.396 3.460 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000087057689 494166850 /nfs/dbraw/zinc/16/68/50/494166850.db2.gz LSVQRZCNIKRHRU-MRXNPFEDSA-N 1 1 374.485 3.317 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccccc3OC(F)F)C2)nc1 ZINC000072664906 494228784 /nfs/dbraw/zinc/22/87/84/494228784.db2.gz WQPPGZATEPVEGX-ZDUSSCGKSA-N 1 1 364.352 3.278 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3OC(F)F)C2)nc1 ZINC000072664906 494228787 /nfs/dbraw/zinc/22/87/87/494228787.db2.gz WQPPGZATEPVEGX-ZDUSSCGKSA-N 1 1 364.352 3.278 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3coc(-c4ccccc4)n3)C2)nc1 ZINC000072665133 494229305 /nfs/dbraw/zinc/22/93/05/494229305.db2.gz NDMSQKDMTSMLOW-OAHLLOKOSA-N 1 1 365.393 3.331 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3coc(-c4ccccc4)n3)C2)nc1 ZINC000072665133 494229307 /nfs/dbraw/zinc/22/93/07/494229307.db2.gz NDMSQKDMTSMLOW-OAHLLOKOSA-N 1 1 365.393 3.331 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000054625963 494253611 /nfs/dbraw/zinc/25/36/11/494253611.db2.gz WXVZQLDYYPZTNY-UHFFFAOYSA-N 1 1 371.784 3.067 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000054646718 494255774 /nfs/dbraw/zinc/25/57/74/494255774.db2.gz SIRZMZQTNKJDJU-INIZCTEOSA-N 1 1 362.474 3.091 20 5 FGBDMO CC[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)[N@H+]1CCc2ccccc2C1 ZINC000054773011 494269762 /nfs/dbraw/zinc/26/97/62/494269762.db2.gz KHKXXOLHIQJVIM-MRXNPFEDSA-N 1 1 371.412 3.301 20 5 FGBDMO COc1cc(N[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1[N+](=O)[O-] ZINC000078302769 494274666 /nfs/dbraw/zinc/27/46/66/494274666.db2.gz DITGXMOLAFFSMO-YWZLYKJASA-N 1 1 371.437 3.305 20 5 FGBDMO COc1cc(N[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1[N+](=O)[O-] ZINC000078302769 494274669 /nfs/dbraw/zinc/27/46/69/494274669.db2.gz DITGXMOLAFFSMO-YWZLYKJASA-N 1 1 371.437 3.305 20 5 FGBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000043238915 494278444 /nfs/dbraw/zinc/27/84/44/494278444.db2.gz RFMZVVPZFAKPEB-SFHVURJKSA-N 1 1 368.437 3.011 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000078335856 494280841 /nfs/dbraw/zinc/28/08/41/494280841.db2.gz AVAPAUJOCGZQCE-UHFFFAOYSA-N 1 1 355.398 3.165 20 5 FGBDMO CNC(=O)c1ccc(N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c([N+](=O)[O-])c1 ZINC000072945164 494287969 /nfs/dbraw/zinc/28/79/69/494287969.db2.gz OSTBELNJMQRNLO-HOTGVXAUSA-N 1 1 374.485 3.045 20 5 FGBDMO Cc1c(NC(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000043346569 494289060 /nfs/dbraw/zinc/28/90/60/494289060.db2.gz YNIMZXRYNFEBIY-AWEZNQCLSA-N 1 1 368.437 3.472 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000072965973 494293422 /nfs/dbraw/zinc/29/34/22/494293422.db2.gz YEXGSKYHHXUCNV-IAGOWNOFSA-N 1 1 374.485 3.120 20 5 FGBDMO Cc1cccc(OCC[N@@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000015100449 494338687 /nfs/dbraw/zinc/33/86/87/494338687.db2.gz YSDHENZLZRQSCE-HNNXBMFYSA-N 1 1 357.410 3.241 20 5 FGBDMO Cc1cccc(OCC[N@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000015100449 494338690 /nfs/dbraw/zinc/33/86/90/494338690.db2.gz YSDHENZLZRQSCE-HNNXBMFYSA-N 1 1 357.410 3.241 20 5 FGBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000055406689 494339482 /nfs/dbraw/zinc/33/94/82/494339482.db2.gz ACJJSPTYPBYXTG-ZIAGYGMSSA-N 1 1 360.458 3.019 20 5 FGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCOc1ccc(F)cc1 ZINC000015101771 494339957 /nfs/dbraw/zinc/33/99/57/494339957.db2.gz SLCXDBSPMIAHAG-ZDUSSCGKSA-N 1 1 361.373 3.072 20 5 FGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCOc1ccc(F)cc1 ZINC000015101771 494339959 /nfs/dbraw/zinc/33/99/59/494339959.db2.gz SLCXDBSPMIAHAG-ZDUSSCGKSA-N 1 1 361.373 3.072 20 5 FGBDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000066676416 494381376 /nfs/dbraw/zinc/38/13/76/494381376.db2.gz WYQAYSBWASHJNC-UHFFFAOYSA-N 1 1 357.410 3.172 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@H](n4cccn4)C3)co2)cc1 ZINC000089892476 494394730 /nfs/dbraw/zinc/39/47/30/494394730.db2.gz RVZGQSFYKZOHHB-QGZVFWFLSA-N 1 1 353.382 3.283 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@@H](n4cccn4)C3)co2)cc1 ZINC000089892476 494394733 /nfs/dbraw/zinc/39/47/33/494394733.db2.gz RVZGQSFYKZOHHB-QGZVFWFLSA-N 1 1 353.382 3.283 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C)C1 ZINC000089912737 494399647 /nfs/dbraw/zinc/39/96/47/494399647.db2.gz AFDZSGDWMCWCAB-KDOFPFPSSA-N 1 1 358.442 3.412 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@@H+](C)Cc2cccc(N(C)C)c2)cccc1[N+](=O)[O-] ZINC000089922664 494402220 /nfs/dbraw/zinc/40/22/20/494402220.db2.gz PPRNDYPYXSTOHA-HNNXBMFYSA-N 1 1 370.453 3.428 20 5 FGBDMO CCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCc2ccccc2C1 ZINC000090519243 494476332 /nfs/dbraw/zinc/47/63/32/494476332.db2.gz VLQWMECWBFHTLN-GOSISDBHSA-N 1 1 355.438 3.026 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](CCc1ccccc1)C1CCCC1 ZINC000090521556 494477626 /nfs/dbraw/zinc/47/76/26/494477626.db2.gz ZEHZOMKDQSCVHL-UHFFFAOYSA-N 1 1 355.438 3.244 20 5 FGBDMO C[C@@H]1C[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000079553899 494479719 /nfs/dbraw/zinc/47/97/19/494479719.db2.gz WAIDJEUYXMYCOD-VQIMIIECSA-N 1 1 367.449 3.307 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000090553263 494481230 /nfs/dbraw/zinc/48/12/30/494481230.db2.gz ADXFOMXSKIBTRU-IBGZPJMESA-N 1 1 353.422 3.299 20 5 FGBDMO CC[C@H](NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000090686377 494493411 /nfs/dbraw/zinc/49/34/11/494493411.db2.gz AFJFSJVEHWGQEH-SZMVWBNQSA-N 1 1 360.458 3.172 20 5 FGBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000582764996 506405739 /nfs/dbraw/zinc/40/57/39/506405739.db2.gz ICRSTCQSFZUBBN-NSHDSACASA-N 1 1 355.822 3.177 20 5 FGBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000079784412 494525606 /nfs/dbraw/zinc/52/56/06/494525606.db2.gz WBBCVRXUKWRKND-LLVKDONJSA-N 1 1 359.348 3.074 20 5 FGBDMO C[NH+](C)[C@@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000080056064 494578119 /nfs/dbraw/zinc/57/81/19/494578119.db2.gz IDMFFDMCJKWKTG-HNNXBMFYSA-N 1 1 360.414 3.025 20 5 FGBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3cc([N+](=O)[O-])c[nH]3)cc2)C1 ZINC000046935419 494590431 /nfs/dbraw/zinc/59/04/31/494590431.db2.gz PLATTXLOBVUDKV-CQSZACIVSA-N 1 1 356.426 3.085 20 5 FGBDMO Cc1cccc(NCCNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000126320135 494707523 /nfs/dbraw/zinc/70/75/23/494707523.db2.gz XVUQJVSMTCWLMR-ZDUSSCGKSA-N 1 1 360.439 3.007 20 5 FGBDMO C[N@@H+](Cc1nc2ccccc2s1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000025233607 494711799 /nfs/dbraw/zinc/71/17/99/494711799.db2.gz LHXZJGPBSCKESM-CQSZACIVSA-N 1 1 373.434 3.076 20 5 FGBDMO C[N@H+](Cc1nc2ccccc2s1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000025233607 494711803 /nfs/dbraw/zinc/71/18/03/494711803.db2.gz LHXZJGPBSCKESM-CQSZACIVSA-N 1 1 373.434 3.076 20 5 FGBDMO Cc1cc(N(CCC[NH+]2CCOCC2)Cc2ccncc2)ccc1[N+](=O)[O-] ZINC000092686366 494712824 /nfs/dbraw/zinc/71/28/24/494712824.db2.gz CLBCNAMMBKYYNE-UHFFFAOYSA-N 1 1 370.453 3.027 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126541034 494783407 /nfs/dbraw/zinc/78/34/07/494783407.db2.gz FNCULOMZZPCITM-PXAZEXFGSA-N 1 1 363.845 3.337 20 5 FGBDMO CC(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)[N@H+]1CCc2ccccc2C1 ZINC000025917188 494789208 /nfs/dbraw/zinc/78/92/08/494789208.db2.gz DOBUKKVHNIMMOF-MRXNPFEDSA-N 1 1 357.410 3.001 20 5 FGBDMO CCNC(=O)N1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000121563304 494804712 /nfs/dbraw/zinc/80/47/12/494804712.db2.gz LQEMOQQRFSYLIL-UHFFFAOYSA-N 1 1 374.466 3.170 20 5 FGBDMO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126663410 494814426 /nfs/dbraw/zinc/81/44/26/494814426.db2.gz HZWVXFHQNPLRKM-YJYMSZOUSA-N 1 1 368.437 3.165 20 5 FGBDMO CC(C)c1ccc(CN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000093147572 494834087 /nfs/dbraw/zinc/83/40/87/494834087.db2.gz DOSUUCNPMHTUFZ-IBGZPJMESA-N 1 1 374.529 3.320 20 5 FGBDMO C[C@@H](CNc1nc2sccn2c1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000026729960 494835943 /nfs/dbraw/zinc/83/59/43/494835943.db2.gz DULXFXGGXLEWCK-LBPRGKRZSA-N 1 1 357.439 3.163 20 5 FGBDMO CC(C)Oc1nc(N2CC[NH+]([C@H](C)c3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC000577528903 505746447 /nfs/dbraw/zinc/74/64/47/505746447.db2.gz KMEZGMQEKFPFRS-OAHLLOKOSA-N 1 1 371.441 3.055 20 5 FGBDMO O=C(C[N@H+](Cc1ccc(F)cc1)C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000027429750 494868084 /nfs/dbraw/zinc/86/80/84/494868084.db2.gz GGHBVCREMRBROZ-UHFFFAOYSA-N 1 1 369.396 3.288 20 5 FGBDMO O=C(C[N@@H+](Cc1ccc(F)cc1)C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000027429750 494868087 /nfs/dbraw/zinc/86/80/87/494868087.db2.gz GGHBVCREMRBROZ-UHFFFAOYSA-N 1 1 369.396 3.288 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000027557500 494873317 /nfs/dbraw/zinc/87/33/17/494873317.db2.gz ILLQHUCTNZGSDX-LBPRGKRZSA-N 1 1 361.373 3.374 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000027557500 494873320 /nfs/dbraw/zinc/87/33/20/494873320.db2.gz ILLQHUCTNZGSDX-LBPRGKRZSA-N 1 1 361.373 3.374 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cc(-c4ccccc4)n[nH]3)C2)nc1 ZINC000093534918 494898543 /nfs/dbraw/zinc/89/85/43/494898543.db2.gz FUNORPLZTBHIID-HNNXBMFYSA-N 1 1 364.409 3.066 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cc(-c4ccccc4)n[nH]3)C2)nc1 ZINC000093534918 494898545 /nfs/dbraw/zinc/89/85/45/494898545.db2.gz FUNORPLZTBHIID-HNNXBMFYSA-N 1 1 364.409 3.066 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@H](CN3CCOCC3)C2)o1 ZINC000093664525 494909776 /nfs/dbraw/zinc/90/97/76/494909776.db2.gz UMNLYOZUPGBIIO-MRXNPFEDSA-N 1 1 371.437 3.009 20 5 FGBDMO COc1cc(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])cc1OC ZINC000093690107 494914085 /nfs/dbraw/zinc/91/40/85/494914085.db2.gz NJBGQNCQRYDOIO-GUYCJALGSA-N 1 1 352.456 3.472 20 5 FGBDMO COc1cc(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])cc1OC ZINC000093690107 494914088 /nfs/dbraw/zinc/91/40/88/494914088.db2.gz NJBGQNCQRYDOIO-GUYCJALGSA-N 1 1 352.456 3.472 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000127720386 494986449 /nfs/dbraw/zinc/98/64/49/494986449.db2.gz QTDKECVONPFWHX-UHFFFAOYSA-N 1 1 374.466 3.453 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000127720386 494986451 /nfs/dbraw/zinc/98/64/51/494986451.db2.gz QTDKECVONPFWHX-UHFFFAOYSA-N 1 1 374.466 3.453 20 5 FGBDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000111428511 495073681 /nfs/dbraw/zinc/07/36/81/495073681.db2.gz NEARKADAQGFEJB-OAHLLOKOSA-N 1 1 354.410 3.333 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000111428511 495073685 /nfs/dbraw/zinc/07/36/85/495073685.db2.gz NEARKADAQGFEJB-OAHLLOKOSA-N 1 1 354.410 3.333 20 5 FGBDMO Cc1c(C[N@@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000101920525 495108090 /nfs/dbraw/zinc/10/80/90/495108090.db2.gz UXFNTJQQUCWFPB-KRWDZBQOSA-N 1 1 372.400 3.438 20 5 FGBDMO Cc1c(C[N@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000101920525 495108092 /nfs/dbraw/zinc/10/80/92/495108092.db2.gz UXFNTJQQUCWFPB-KRWDZBQOSA-N 1 1 372.400 3.438 20 5 FGBDMO CC1(C)C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1c1ccccc1 ZINC000134275113 495128973 /nfs/dbraw/zinc/12/89/73/495128973.db2.gz ICBHRMVCOJKPOG-QGZVFWFLSA-N 1 1 353.422 3.319 20 5 FGBDMO CC[N@H+]1CC[C@@H](CNCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000102423178 495136513 /nfs/dbraw/zinc/13/65/13/495136513.db2.gz NXPQCTFWEQBPFY-AWEZNQCLSA-N 1 1 359.426 3.295 20 5 FGBDMO CC[N@H+](CC(=O)NCc1ccc(F)cc1)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000102671440 495152819 /nfs/dbraw/zinc/15/28/19/495152819.db2.gz XNXJJAUCEBHXEU-CQSZACIVSA-N 1 1 359.401 3.433 20 5 FGBDMO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000102671440 495152822 /nfs/dbraw/zinc/15/28/22/495152822.db2.gz XNXJJAUCEBHXEU-CQSZACIVSA-N 1 1 359.401 3.433 20 5 FGBDMO Cc1nn(C)c(C(=O)Nc2cccc3c2C[N@@H+](CCC(C)C)C3)c1[N+](=O)[O-] ZINC000102733361 495158084 /nfs/dbraw/zinc/15/80/84/495158084.db2.gz HBTATTHGVHMBFL-UHFFFAOYSA-N 1 1 371.441 3.251 20 5 FGBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000134610662 495175816 /nfs/dbraw/zinc/17/58/16/495175816.db2.gz JXRLSBMGUPCJQL-ZDUSSCGKSA-N 1 1 353.850 3.490 20 5 FGBDMO C[C@H]1C[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000134917029 495222481 /nfs/dbraw/zinc/22/24/81/495222481.db2.gz FBZPODNORVCMOH-BBRMVZONSA-N 1 1 357.385 3.127 20 5 FGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cc1 ZINC000134923660 495223602 /nfs/dbraw/zinc/22/36/02/495223602.db2.gz WUSNWOUAVBRQET-OXQOHEQNSA-N 1 1 359.470 3.312 20 5 FGBDMO O=[N+]([O-])c1ccc(OCCCN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134923660 495223604 /nfs/dbraw/zinc/22/36/04/495223604.db2.gz WUSNWOUAVBRQET-OXQOHEQNSA-N 1 1 359.470 3.312 20 5 FGBDMO O=[N+]([O-])c1ccc(OCCCN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134923660 495223606 /nfs/dbraw/zinc/22/36/06/495223606.db2.gz WUSNWOUAVBRQET-OXQOHEQNSA-N 1 1 359.470 3.312 20 5 FGBDMO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)n1 ZINC000103469071 495236641 /nfs/dbraw/zinc/23/66/41/495236641.db2.gz BXCVUYOEVIACII-CQSZACIVSA-N 1 1 372.400 3.288 20 5 FGBDMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)n1 ZINC000103469071 495236643 /nfs/dbraw/zinc/23/66/43/495236643.db2.gz BXCVUYOEVIACII-CQSZACIVSA-N 1 1 372.400 3.288 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000124248300 495257262 /nfs/dbraw/zinc/25/72/62/495257262.db2.gz QEVXWQDAUSSPNS-CYBMUJFWSA-N 1 1 353.850 3.346 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000124355366 495274634 /nfs/dbraw/zinc/27/46/34/495274634.db2.gz YQKOAAOBOKBNKW-ZDUSSCGKSA-N 1 1 353.850 3.346 20 5 FGBDMO CC[C@H]1CCCC[N@H+]1CCNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000113345906 495297784 /nfs/dbraw/zinc/29/77/84/495297784.db2.gz BWDOPLMVURCLJN-SFHVURJKSA-N 1 1 371.485 3.349 20 5 FGBDMO CC[C@H]1CCCCN1CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000113345906 495297788 /nfs/dbraw/zinc/29/77/88/495297788.db2.gz BWDOPLMVURCLJN-SFHVURJKSA-N 1 1 371.485 3.349 20 5 FGBDMO COc1ccccc1CC[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000104708895 495298992 /nfs/dbraw/zinc/29/89/92/495298992.db2.gz GXMRKLDNAGZUPK-UHFFFAOYSA-N 1 1 368.393 3.328 20 5 FGBDMO COc1ccccc1CC[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000104708895 495298995 /nfs/dbraw/zinc/29/89/95/495298995.db2.gz GXMRKLDNAGZUPK-UHFFFAOYSA-N 1 1 368.393 3.328 20 5 FGBDMO C[C@@H](O)C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCCC1 ZINC000104965309 495319546 /nfs/dbraw/zinc/31/95/46/495319546.db2.gz FRSZYSDHJXRLJJ-CYBMUJFWSA-N 1 1 360.414 3.160 20 5 FGBDMO CN(C(=O)C[N@@H+](C)[C@@H]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000114489701 495385075 /nfs/dbraw/zinc/38/50/75/495385075.db2.gz NQQMHYKKDHWIIF-LJQANCHMSA-N 1 1 353.422 3.047 20 5 FGBDMO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCc2ccccc2C1 ZINC000114489738 495385142 /nfs/dbraw/zinc/38/51/42/495385142.db2.gz CWVFMWBKTDMMMP-GOSISDBHSA-N 1 1 354.406 3.451 20 5 FGBDMO Cc1[nH+]ccn1CCCN(C)C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000130600784 495417414 /nfs/dbraw/zinc/41/74/14/495417414.db2.gz JJGCHZHVIBRWDB-ZDUSSCGKSA-N 1 1 362.455 3.129 20 5 FGBDMO C[C@H](C1CC1)[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000577717771 505782347 /nfs/dbraw/zinc/78/23/47/505782347.db2.gz MTBRDKIRPHEUET-SECBINFHSA-N 1 1 360.195 3.430 20 5 FGBDMO NC(=O)c1ccc(C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000138784899 495467780 /nfs/dbraw/zinc/46/77/80/495467780.db2.gz VPXMVUJRRLWKTH-SFHVURJKSA-N 1 1 351.406 3.346 20 5 FGBDMO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C12CCC2 ZINC000120865071 495474174 /nfs/dbraw/zinc/47/41/74/495474174.db2.gz XSLUCOMHDGYGKZ-HZPDHXFCSA-N 1 1 372.425 3.424 20 5 FGBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C12CCC2 ZINC000120865071 495474180 /nfs/dbraw/zinc/47/41/80/495474180.db2.gz XSLUCOMHDGYGKZ-HZPDHXFCSA-N 1 1 372.425 3.424 20 5 FGBDMO C[N@@H+]1CCC[C@H]2CN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC[C@@H]21 ZINC000139837659 495484518 /nfs/dbraw/zinc/48/45/18/495484518.db2.gz DVULARUEPARHST-WMZOPIPTSA-N 1 1 370.453 3.208 20 5 FGBDMO C[N@H+]1CCC[C@H]2CN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC[C@@H]21 ZINC000139837659 495484520 /nfs/dbraw/zinc/48/45/20/495484520.db2.gz DVULARUEPARHST-WMZOPIPTSA-N 1 1 370.453 3.208 20 5 FGBDMO CCC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@@H]1CCCCO1 ZINC000106866235 495503903 /nfs/dbraw/zinc/50/39/03/495503903.db2.gz OVGKLVZORHWWOF-KRWDZBQOSA-N 1 1 350.415 3.242 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCSC[C@H]2c2ccccc2)c1 ZINC000115561105 495517730 /nfs/dbraw/zinc/51/77/30/495517730.db2.gz ZBCZQNLPZFBGCM-HKUYNNGSSA-N 1 1 374.462 3.125 20 5 FGBDMO O=[N+]([O-])c1ccn(CC[N@@H+](CCc2ccccn2)Cc2ccc(F)cc2)n1 ZINC000176226370 495553222 /nfs/dbraw/zinc/55/32/22/495553222.db2.gz WTAZEVOCYWOBLE-UHFFFAOYSA-N 1 1 369.400 3.070 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C[C@@H](C)O)C1CCCCC1 ZINC000170691633 495568961 /nfs/dbraw/zinc/56/89/61/495568961.db2.gz GTTRFXDCOFBYLO-OAHLLOKOSA-N 1 1 363.458 3.247 20 5 FGBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H]2c2nnc3n2CCCCC3)cc1 ZINC000154290576 495570708 /nfs/dbraw/zinc/57/07/08/495570708.db2.gz WHYDJOUJDRSJOI-KRWDZBQOSA-N 1 1 355.442 3.292 20 5 FGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H]2c2nnc3n2CCCCC3)cc1 ZINC000154290576 495570713 /nfs/dbraw/zinc/57/07/13/495570713.db2.gz WHYDJOUJDRSJOI-KRWDZBQOSA-N 1 1 355.442 3.292 20 5 FGBDMO COc1ccc(C[N@H+]2CCC[C@@H](O)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000158793851 495589737 /nfs/dbraw/zinc/58/97/37/495589737.db2.gz IAIINNNONIFKQW-GOSISDBHSA-N 1 1 372.421 3.139 20 5 FGBDMO COc1ccc(C[N@H+]2CCC[C@H](O)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000158793708 495589787 /nfs/dbraw/zinc/58/97/87/495589787.db2.gz IAIINNNONIFKQW-SFHVURJKSA-N 1 1 372.421 3.139 20 5 FGBDMO C[C@H](CCNC(=O)COc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000173605675 495611088 /nfs/dbraw/zinc/61/10/88/495611088.db2.gz INRGURUQOWFUBQ-MRXNPFEDSA-N 1 1 371.437 3.000 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000176364737 495620964 /nfs/dbraw/zinc/62/09/64/495620964.db2.gz AIUCRPXEMYOQKD-LNRIEFBSSA-N 1 1 360.458 3.279 20 5 FGBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC000150768389 495627344 /nfs/dbraw/zinc/62/73/44/495627344.db2.gz OORKMCMKNXZBCE-UHFFFAOYSA-N 1 1 359.401 3.045 20 5 FGBDMO O=C(c1cc(F)c([N+](=O)[O-])cc1F)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000159085829 495654802 /nfs/dbraw/zinc/65/48/02/495654802.db2.gz NHVYIRCIBCGMNM-ZDUSSCGKSA-N 1 1 373.359 3.498 20 5 FGBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H](c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000171091990 495721153 /nfs/dbraw/zinc/72/11/53/495721153.db2.gz KPSFEYWNTBJQDT-MRXNPFEDSA-N 1 1 353.422 3.463 20 5 FGBDMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000159506210 495747551 /nfs/dbraw/zinc/74/75/51/495747551.db2.gz XGMJNIOUANRRKZ-MRXNPFEDSA-N 1 1 361.373 3.284 20 5 FGBDMO COc1ccc([C@H]2CCCCC[N@H+]2CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000159717012 495793892 /nfs/dbraw/zinc/79/38/92/495793892.db2.gz DKPPAOKNOUSFGU-LJQANCHMSA-N 1 1 371.437 3.382 20 5 FGBDMO COc1cccc(F)c1[C@@H](C)[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000174222540 495870832 /nfs/dbraw/zinc/87/08/32/495870832.db2.gz XMUOBRVAYCCLCF-WBMJQRKESA-N 1 1 373.384 3.199 20 5 FGBDMO COc1cccc(F)c1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000174229665 495872824 /nfs/dbraw/zinc/87/28/24/495872824.db2.gz QJQBBGSQHKGLCM-NEPJUHHUSA-N 1 1 361.373 3.420 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000183339455 495937211 /nfs/dbraw/zinc/93/72/11/495937211.db2.gz RGHXGIRJKMOTBH-UHFFFAOYSA-N 1 1 369.450 3.230 20 5 FGBDMO Cc1ccc(C(=O)CC[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000160581020 495996127 /nfs/dbraw/zinc/99/61/27/495996127.db2.gz LBSJTALROPFCNN-INIZCTEOSA-N 1 1 354.410 3.057 20 5 FGBDMO O=c1cc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)c2c(ccc3ccccc32)o1 ZINC000177277317 496004075 /nfs/dbraw/zinc/00/40/75/496004075.db2.gz UTBOQOKXRYWIDQ-GOSISDBHSA-N 1 1 363.335 3.445 20 5 FGBDMO C[C@@H](CCNC(=O)Nc1ccncc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000183597401 496043069 /nfs/dbraw/zinc/04/30/69/496043069.db2.gz GRRJZZHQHWPURD-AWEZNQCLSA-N 1 1 357.414 3.022 20 5 FGBDMO CC1(C)CN(C(=O)Nc2ccncc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000183620322 496051802 /nfs/dbraw/zinc/05/18/02/496051802.db2.gz BOJVQIYMYVDKKR-UHFFFAOYSA-N 1 1 369.425 3.118 20 5 FGBDMO COc1ccc(OCC[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c([N+](=O)[O-])c1 ZINC000186711998 496116559 /nfs/dbraw/zinc/11/65/59/496116559.db2.gz PPENGJHZPZZEHS-FQEVSTJZSA-N 1 1 370.405 3.114 20 5 FGBDMO O=[N+]([O-])c1cnc(N2CC[NH+](C3CCCCC3)CC2)c(Br)c1 ZINC000152425090 496147379 /nfs/dbraw/zinc/14/73/79/496147379.db2.gz WBAQSMNOGYAMJN-UHFFFAOYSA-N 1 1 369.263 3.207 20 5 FGBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C1 ZINC000180812169 496156348 /nfs/dbraw/zinc/15/63/48/496156348.db2.gz ZZJJWRLGCMUXIK-ZDUSSCGKSA-N 1 1 351.472 3.167 20 5 FGBDMO Cc1c(CC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000161377441 496163373 /nfs/dbraw/zinc/16/33/73/496163373.db2.gz YMYLOMJUHLMJDM-LJQANCHMSA-N 1 1 367.449 3.227 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000181131345 496281633 /nfs/dbraw/zinc/28/16/33/496281633.db2.gz RUDJMPIXMFFQED-LBPRGKRZSA-N 1 1 351.472 3.308 20 5 FGBDMO C[C@@]1(CNC(=O)Cc2ccccc2[N+](=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000162382807 496345849 /nfs/dbraw/zinc/34/58/49/496345849.db2.gz RLSDHWMBLJFOGF-NRFANRHFSA-N 1 1 367.449 3.308 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)c1 ZINC000162569437 496375278 /nfs/dbraw/zinc/37/52/78/496375278.db2.gz FRGYTAOSQPASNX-UHFFFAOYSA-N 1 1 374.466 3.145 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@H](Nc3nc(C)ccc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000178256669 496389056 /nfs/dbraw/zinc/38/90/56/496389056.db2.gz SOXKNRLBGJXUHP-HNNXBMFYSA-N 1 1 372.425 3.002 20 5 FGBDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000187325623 496394250 /nfs/dbraw/zinc/39/42/50/496394250.db2.gz JTTLELIUBMZOQV-GOSISDBHSA-N 1 1 355.438 3.481 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000181486117 496415411 /nfs/dbraw/zinc/41/54/11/496415411.db2.gz SAPYMUCOXJBBTP-WQGACYEGSA-N 1 1 369.849 3.058 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)c1 ZINC000172771570 496423577 /nfs/dbraw/zinc/42/35/77/496423577.db2.gz ARPRPGDFKLQSAW-ZDUSSCGKSA-N 1 1 359.451 3.141 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)c1 ZINC000172771570 496423581 /nfs/dbraw/zinc/42/35/81/496423581.db2.gz ARPRPGDFKLQSAW-ZDUSSCGKSA-N 1 1 359.451 3.141 20 5 FGBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000175533353 496430167 /nfs/dbraw/zinc/43/01/67/496430167.db2.gz KWPZCEGUSZXKPE-CYBMUJFWSA-N 1 1 353.850 3.490 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC(C4CCOCC4)CC3)n2)c1 ZINC000153457748 496462052 /nfs/dbraw/zinc/46/20/52/496462052.db2.gz ZJMUQUPKAPRCTI-UHFFFAOYSA-N 1 1 372.425 3.283 20 5 FGBDMO Cc1csc([C@H]([NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000181614658 496470762 /nfs/dbraw/zinc/47/07/62/496470762.db2.gz JIKVYPUUHWZHTO-XHDPSFHLSA-N 1 1 360.439 3.428 20 5 FGBDMO C[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181658321 496490573 /nfs/dbraw/zinc/49/05/73/496490573.db2.gz URLFMFZVKJLQOO-JKSUJKDBSA-N 1 1 374.485 3.166 20 5 FGBDMO Cc1c(-c2cc(C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C3CC3)on2)cnn1C ZINC000184702994 496499325 /nfs/dbraw/zinc/49/93/25/496499325.db2.gz NPWSUXFXZGREJT-UHFFFAOYSA-N 1 1 367.409 3.456 20 5 FGBDMO Cc1c(-c2cc(C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C3CC3)on2)cnn1C ZINC000184702994 496499331 /nfs/dbraw/zinc/49/93/31/496499331.db2.gz NPWSUXFXZGREJT-UHFFFAOYSA-N 1 1 367.409 3.456 20 5 FGBDMO CC[C@]1(CO)CCC[N@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000187636021 496517528 /nfs/dbraw/zinc/51/75/28/496517528.db2.gz OIEROKDQRAXQFK-KRWDZBQOSA-N 1 1 374.384 3.189 20 5 FGBDMO CC[C@]1(CO)CCC[N@@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000187636021 496517534 /nfs/dbraw/zinc/51/75/34/496517534.db2.gz OIEROKDQRAXQFK-KRWDZBQOSA-N 1 1 374.384 3.189 20 5 FGBDMO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000163509309 496525311 /nfs/dbraw/zinc/52/53/11/496525311.db2.gz BKSDMVRTEOERHU-CYBMUJFWSA-N 1 1 353.850 3.377 20 5 FGBDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000163509309 496525315 /nfs/dbraw/zinc/52/53/15/496525315.db2.gz BKSDMVRTEOERHU-CYBMUJFWSA-N 1 1 353.850 3.377 20 5 FGBDMO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2nnc(C(C)C)s2)cc1[N+](=O)[O-] ZINC000181811126 496554552 /nfs/dbraw/zinc/55/45/52/496554552.db2.gz AGNGPYJBXBUPDL-LLVKDONJSA-N 1 1 363.443 3.167 20 5 FGBDMO COc1ccc(OCC[N@H+](C)Cc2nc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000153772436 496574895 /nfs/dbraw/zinc/57/48/95/496574895.db2.gz WSINPTJAHVPIMP-UHFFFAOYSA-N 1 1 357.366 3.255 20 5 FGBDMO COc1ccc(OCC[N@@H+](C)Cc2nc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000153772436 496574898 /nfs/dbraw/zinc/57/48/98/496574898.db2.gz WSINPTJAHVPIMP-UHFFFAOYSA-N 1 1 357.366 3.255 20 5 FGBDMO C[C@H](C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185009509 496620863 /nfs/dbraw/zinc/62/08/63/496620863.db2.gz PFUPBDPKHFDKMN-GJZGRUSLSA-N 1 1 365.449 3.466 20 5 FGBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178932376 496621255 /nfs/dbraw/zinc/62/12/55/496621255.db2.gz PJPCCERYPWUJFA-UHFFFAOYSA-N 1 1 358.423 3.477 20 5 FGBDMO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000154094282 496682363 /nfs/dbraw/zinc/68/23/63/496682363.db2.gz SICVURBJMWYOSX-SJKOYZFVSA-N 1 1 363.845 3.337 20 5 FGBDMO COc1ccc([C@H]2CCC[N@H+]2C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000182198273 496704223 /nfs/dbraw/zinc/70/42/23/496704223.db2.gz BHRUOWISLWDTQU-FUHWJXTLSA-N 1 1 372.421 3.180 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000182214848 496709859 /nfs/dbraw/zinc/70/98/59/496709859.db2.gz ANKGKGCZVBHCTL-MSOLQXFVSA-N 1 1 374.412 3.181 20 5 FGBDMO C[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C1=CC[N@@H+](C)CC1 ZINC000273189156 496734534 /nfs/dbraw/zinc/73/45/34/496734534.db2.gz GHAVDHKRTZOZMF-NSHDSACASA-N 1 1 369.874 3.107 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC(c4ccncc4)CC3)n2)c1 ZINC000191640497 496842544 /nfs/dbraw/zinc/84/25/44/496842544.db2.gz REZRRLKRYGBALR-UHFFFAOYSA-N 1 1 365.393 3.419 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]CCC[C@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000273610935 496852936 /nfs/dbraw/zinc/85/29/36/496852936.db2.gz AENAXZRKRRTBIF-MSOLQXFVSA-N 1 1 358.442 3.357 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@H](c4nccs4)C3)o2)cc1 ZINC000195354040 496899487 /nfs/dbraw/zinc/89/94/87/496899487.db2.gz LUCCUJWEJCUBBC-ZDUSSCGKSA-N 1 1 371.422 3.481 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@H](c4nccs4)C3)o2)cc1 ZINC000195354040 496899491 /nfs/dbraw/zinc/89/94/91/496899491.db2.gz LUCCUJWEJCUBBC-ZDUSSCGKSA-N 1 1 371.422 3.481 20 5 FGBDMO C[C@H](c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1)[NH+]1CCOCC1 ZINC000264470574 496907520 /nfs/dbraw/zinc/90/75/20/496907520.db2.gz RUZQRQJUNXYHOQ-OAHLLOKOSA-N 1 1 369.421 3.169 20 5 FGBDMO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)cccc1[N+](=O)[O-] ZINC000247701946 496907990 /nfs/dbraw/zinc/90/79/90/496907990.db2.gz UUGUCUGIAYOREZ-KSSFIOAISA-N 1 1 371.441 3.011 20 5 FGBDMO COc1cccc([C@@H]2CCC[N@H+]2C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000198747355 496970015 /nfs/dbraw/zinc/97/00/15/496970015.db2.gz GADBLYRPSCXKQF-PXNSSMCTSA-N 1 1 372.421 3.180 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)s1 ZINC000278196963 497034204 /nfs/dbraw/zinc/03/42/04/497034204.db2.gz PJZFOBGZRKBTCO-ZDUSSCGKSA-N 1 1 372.406 3.280 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)s1 ZINC000278196963 497034212 /nfs/dbraw/zinc/03/42/12/497034212.db2.gz PJZFOBGZRKBTCO-ZDUSSCGKSA-N 1 1 372.406 3.280 20 5 FGBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000248589153 497049253 /nfs/dbraw/zinc/04/92/53/497049253.db2.gz QTCHECPPMQOMND-XGUBFFRZSA-N 1 1 365.449 3.320 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000248612725 497056994 /nfs/dbraw/zinc/05/69/94/497056994.db2.gz XZGXVWDJJXKYRE-XNJGSVPQSA-N 1 1 351.422 3.026 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](OC)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000189342810 497088538 /nfs/dbraw/zinc/08/85/38/497088538.db2.gz RQLWETMLLYIIQI-BZNIZROVSA-N 1 1 374.384 3.104 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](OC)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000189342810 497088541 /nfs/dbraw/zinc/08/85/41/497088541.db2.gz RQLWETMLLYIIQI-BZNIZROVSA-N 1 1 374.384 3.104 20 5 FGBDMO CC[NH+]1CCN(C[C@@H](C)CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000189439924 497118848 /nfs/dbraw/zinc/11/88/48/497118848.db2.gz FSYXZRLBGMAUHT-ZDUSSCGKSA-N 1 1 374.407 3.299 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1C ZINC000248882480 497125365 /nfs/dbraw/zinc/12/53/65/497125365.db2.gz GBONHFDWFAAOIE-UKRRQHHQSA-N 1 1 358.394 3.486 20 5 FGBDMO C[N@H+]1CC[C@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)[C@H]2C1 ZINC000274577996 497127188 /nfs/dbraw/zinc/12/71/88/497127188.db2.gz HBYYMBDGYFRXKP-HZMBPMFUSA-N 1 1 372.347 3.172 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@H](CC(F)(F)F)C3)n2)c1 ZINC000278811037 497228155 /nfs/dbraw/zinc/22/81/55/497228155.db2.gz PDMVZEOZLCKVDL-SNVBAGLBSA-N 1 1 356.304 3.419 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@H](CC(F)(F)F)C3)n2)c1 ZINC000278811037 497228156 /nfs/dbraw/zinc/22/81/56/497228156.db2.gz PDMVZEOZLCKVDL-SNVBAGLBSA-N 1 1 356.304 3.419 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000192908445 497242845 /nfs/dbraw/zinc/24/28/45/497242845.db2.gz DMUXRMWZUYGGAT-MRXNPFEDSA-N 1 1 357.410 3.453 20 5 FGBDMO COc1ccc(CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000192919710 497246102 /nfs/dbraw/zinc/24/61/02/497246102.db2.gz XNYRXEDNUHQCKG-GOSISDBHSA-N 1 1 355.438 3.215 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]C[C@@H]1COc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000569285975 505896653 /nfs/dbraw/zinc/89/66/53/505896653.db2.gz DXBPNSFHYQKTEE-DNVCBOLYSA-N 1 1 364.405 3.184 20 5 FGBDMO Cc1c(Br)c(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)ncc1[N+](=O)[O-] ZINC000252868144 497321116 /nfs/dbraw/zinc/32/11/16/497321116.db2.gz RIKPSRNUSHXDMA-MNOVXSKESA-N 1 1 355.236 3.099 20 5 FGBDMO CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255570819 497369705 /nfs/dbraw/zinc/36/97/05/497369705.db2.gz SLDALDLJHXDOPS-BJIFSAINSA-N 1 1 359.470 3.482 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000245523846 497439612 /nfs/dbraw/zinc/43/96/12/497439612.db2.gz NGQQSLLSQUICMG-LSDHHAIUSA-N 1 1 355.442 3.382 20 5 FGBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000245644268 497486214 /nfs/dbraw/zinc/48/62/14/497486214.db2.gz LDFZMTGBLPITTH-IEBWSBKVSA-N 1 1 368.437 3.182 20 5 FGBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000245855727 497551179 /nfs/dbraw/zinc/55/11/79/497551179.db2.gz NNAFTDDWGYILNM-HZPDHXFCSA-N 1 1 370.453 3.476 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000267455244 497557219 /nfs/dbraw/zinc/55/72/19/497557219.db2.gz QDJJNBWWNZJMFA-OXJNMPFZSA-N 1 1 367.449 3.164 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000572209793 505914574 /nfs/dbraw/zinc/91/45/74/505914574.db2.gz LVWPPACKTHZBPL-RDJZCZTQSA-N 1 1 374.485 3.140 20 5 FGBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000246074434 497612567 /nfs/dbraw/zinc/61/25/67/497612567.db2.gz DXLROKURRCTLAO-IINYFYTJSA-N 1 1 359.348 3.026 20 5 FGBDMO O=C1CCCN1[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000276786681 497653474 /nfs/dbraw/zinc/65/34/74/497653474.db2.gz KFKAKPNSVSLLTK-INIZCTEOSA-N 1 1 355.394 3.052 20 5 FGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)c1 ZINC000246261714 497676384 /nfs/dbraw/zinc/67/63/84/497676384.db2.gz LGDOVCLDWZBQOV-USXIJHARSA-N 1 1 362.451 3.278 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000246314325 497692693 /nfs/dbraw/zinc/69/26/93/497692693.db2.gz GJRTXRVYTRHZNS-HUUCEWRRSA-N 1 1 363.433 3.461 20 5 FGBDMO O=[N+]([O-])c1cccc(C[NH2+][C@H](CO)c2ccccc2OC(F)(F)F)c1 ZINC000280321891 497718572 /nfs/dbraw/zinc/71/85/72/497718572.db2.gz QJQGFBRRPNRTTM-CQSZACIVSA-N 1 1 356.300 3.317 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](c3ccncc3)C2)cccc1[N+](=O)[O-] ZINC000581169668 505925560 /nfs/dbraw/zinc/92/55/60/505925560.db2.gz GOINNPJWQGMJQI-MRXNPFEDSA-N 1 1 354.410 3.116 20 5 FGBDMO COc1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000272810478 497735379 /nfs/dbraw/zinc/73/53/79/497735379.db2.gz JDYOVFCXUMGSEQ-CZUORRHYSA-N 1 1 374.441 3.084 20 5 FGBDMO C[N@H+]1CCC[C@H]2CN(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000246764332 497808907 /nfs/dbraw/zinc/80/89/07/497808907.db2.gz HUYKNJMCFPOTBD-PKOBYXMFSA-N 1 1 374.485 3.043 20 5 FGBDMO Cc1ccnc([C@@H]2CC[N@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)c1 ZINC000569471355 505943429 /nfs/dbraw/zinc/94/34/29/505943429.db2.gz SNXITSMANOJCPE-OAHLLOKOSA-N 1 1 354.410 3.035 20 5 FGBDMO Cc1ccnc([C@@H]2CC[N@@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)c1 ZINC000569471355 505943431 /nfs/dbraw/zinc/94/34/31/505943431.db2.gz SNXITSMANOJCPE-OAHLLOKOSA-N 1 1 354.410 3.035 20 5 FGBDMO CCn1cc([C@H](C)[NH2+]Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cn1 ZINC000296162144 497939658 /nfs/dbraw/zinc/93/96/58/497939658.db2.gz SVJNSCSWLKBQGU-JTQLQIEISA-N 1 1 370.356 3.272 20 5 FGBDMO Cc1cc([N+](=O)[O-])cnc1N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000301200188 497996681 /nfs/dbraw/zinc/99/66/81/497996681.db2.gz PUJNNFFSJAVYME-UHFFFAOYSA-N 1 1 354.454 3.443 20 5 FGBDMO CC(C)[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000572456805 505973462 /nfs/dbraw/zinc/97/34/62/505973462.db2.gz DVRRDVCLXOJZMH-CQSZACIVSA-N 1 1 358.417 3.360 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@H](c4ccncc4)C3)n2)cc1 ZINC000289252909 498077506 /nfs/dbraw/zinc/07/75/06/498077506.db2.gz CNAVFJPVGKLKGQ-INIZCTEOSA-N 1 1 365.393 3.419 20 5 FGBDMO COc1ccc(OCC[NH2+][C@@H](C)c2c(F)cncc2F)c([N+](=O)[O-])c1 ZINC000285481890 498100831 /nfs/dbraw/zinc/10/08/31/498100831.db2.gz BSRZQSMZUXHXFG-JTQLQIEISA-N 1 1 353.325 3.006 20 5 FGBDMO Cc1csc(C2CC[NH+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000364751244 498127117 /nfs/dbraw/zinc/12/71/17/498127117.db2.gz BRDMXKXXYSVUBE-UHFFFAOYSA-N 1 1 374.466 3.202 20 5 FGBDMO CCOc1cc(N2CC[NH+]([C@H](C)c3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC000301499400 498137369 /nfs/dbraw/zinc/13/73/69/498137369.db2.gz ACVBCHFUBSAKTD-OAHLLOKOSA-N 1 1 356.426 3.272 20 5 FGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC000289468134 498157724 /nfs/dbraw/zinc/15/77/24/498157724.db2.gz MSTDSULSCLXZMW-RYUDHWBXSA-N 1 1 359.348 3.046 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(N[C@H](C[NH+]2CCN(C)CC2)c2ccccc2)c1 ZINC000301572650 498169452 /nfs/dbraw/zinc/16/94/52/498169452.db2.gz PFABZZQIXBQRHK-LJQANCHMSA-N 1 1 354.454 3.304 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000330695778 498176316 /nfs/dbraw/zinc/17/63/16/498176316.db2.gz DBKNYIGPWPRJAB-STQMWFEESA-N 1 1 351.472 3.260 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000330695778 498176320 /nfs/dbraw/zinc/17/63/20/498176320.db2.gz DBKNYIGPWPRJAB-STQMWFEESA-N 1 1 351.472 3.260 20 5 FGBDMO CN(CCC[N@@H+](C)Cc1ccco1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000285767372 498195652 /nfs/dbraw/zinc/19/56/52/498195652.db2.gz SQPVQFKRBVXYPL-UHFFFAOYSA-N 1 1 358.398 3.283 20 5 FGBDMO CN(CCC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccco1 ZINC000285767372 498195657 /nfs/dbraw/zinc/19/56/57/498195657.db2.gz SQPVQFKRBVXYPL-UHFFFAOYSA-N 1 1 358.398 3.283 20 5 FGBDMO CN(CCC[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccco1 ZINC000285767372 498195665 /nfs/dbraw/zinc/19/56/65/498195665.db2.gz SQPVQFKRBVXYPL-UHFFFAOYSA-N 1 1 358.398 3.283 20 5 FGBDMO COc1cc(NCC[N@@H+]2CCc3sccc3C2)c([N+](=O)[O-])cc1F ZINC000301642502 498202579 /nfs/dbraw/zinc/20/25/79/498202579.db2.gz ZJRHHRLHUQYDNS-UHFFFAOYSA-N 1 1 351.403 3.274 20 5 FGBDMO COc1cc(NCC[N@H+]2CCc3sccc3C2)c([N+](=O)[O-])cc1F ZINC000301642502 498202581 /nfs/dbraw/zinc/20/25/81/498202581.db2.gz ZJRHHRLHUQYDNS-UHFFFAOYSA-N 1 1 351.403 3.274 20 5 FGBDMO C[C@H](C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1F ZINC000330877165 498210423 /nfs/dbraw/zinc/21/04/23/498210423.db2.gz XEVLTOBKKZACRX-KBPBESRZSA-N 1 1 351.422 3.170 20 5 FGBDMO CC(C)[C@@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@H+]1C ZINC000331154506 498263116 /nfs/dbraw/zinc/26/31/16/498263116.db2.gz PHYWNGFXIWIYOC-INIZCTEOSA-N 1 1 374.466 3.131 20 5 FGBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000293117482 498275076 /nfs/dbraw/zinc/27/50/76/498275076.db2.gz YZBDBMSJUYNQKH-LBPRGKRZSA-N 1 1 373.375 3.464 20 5 FGBDMO Cc1cc(N(C)[C@H]2CC[N@H+](C)C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301833377 498285058 /nfs/dbraw/zinc/28/50/58/498285058.db2.gz SCEDEBRVUKMZCI-DYVFJYSZSA-N 1 1 355.442 3.137 20 5 FGBDMO C[C@@H](CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)C[NH+]1CCOCC1 ZINC000301879068 498308180 /nfs/dbraw/zinc/30/81/80/498308180.db2.gz URGBNZUQNCQCTA-HNNXBMFYSA-N 1 1 356.426 3.037 20 5 FGBDMO CC(C)(CO)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccs1 ZINC000289825117 498311628 /nfs/dbraw/zinc/31/16/28/498311628.db2.gz PBMKPFDLGIMPQS-OAHLLOKOSA-N 1 1 365.411 3.414 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000289969553 498375456 /nfs/dbraw/zinc/37/54/56/498375456.db2.gz XEWHQOKPUXOSRP-SJLPKXTDSA-N 1 1 361.442 3.121 20 5 FGBDMO O=[N+]([O-])c1cc(F)c(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c(F)c1 ZINC000302038402 498379991 /nfs/dbraw/zinc/37/99/91/498379991.db2.gz GRSYPYMKSDAUOU-OAHLLOKOSA-N 1 1 363.364 3.052 20 5 FGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(CO)(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000293479540 498399363 /nfs/dbraw/zinc/39/93/63/498399363.db2.gz XZRUXTJGIPSIBZ-UHFFFAOYSA-N 1 1 371.393 3.029 20 5 FGBDMO CN(c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)[C@H]1CCC[N@@H+](C)C1 ZINC000302154336 498419943 /nfs/dbraw/zinc/41/99/43/498419943.db2.gz DGLSCQLZKDJXBV-INIZCTEOSA-N 1 1 356.426 3.099 20 5 FGBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3sccc3Br)CC2)n1 ZINC000331867562 498482042 /nfs/dbraw/zinc/48/20/42/498482042.db2.gz DMYIJMQUUYNAGN-UHFFFAOYSA-N 1 1 371.260 3.452 20 5 FGBDMO Cn1cc(C[N@@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000293880399 498520315 /nfs/dbraw/zinc/52/03/15/498520315.db2.gz DCGOLGLTPADUCI-VQTJNVASSA-N 1 1 368.437 3.139 20 5 FGBDMO Cn1cc(C[N@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000293880399 498520323 /nfs/dbraw/zinc/52/03/23/498520323.db2.gz DCGOLGLTPADUCI-VQTJNVASSA-N 1 1 368.437 3.139 20 5 FGBDMO COCCCn1nccc1C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000282558917 498559178 /nfs/dbraw/zinc/55/91/78/498559178.db2.gz DFVDHOQCGRHULK-UHFFFAOYSA-N 1 1 372.347 3.136 20 5 FGBDMO Cc1nc([C@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)C2)no1 ZINC000362822322 498560084 /nfs/dbraw/zinc/56/00/84/498560084.db2.gz FXXCNHYCLMZAIN-AWEZNQCLSA-N 1 1 360.414 3.453 20 5 FGBDMO Cc1nc([C@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)C2)no1 ZINC000362822322 498560093 /nfs/dbraw/zinc/56/00/93/498560093.db2.gz FXXCNHYCLMZAIN-AWEZNQCLSA-N 1 1 360.414 3.453 20 5 FGBDMO Cc1c(CN2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000332108137 498563771 /nfs/dbraw/zinc/56/37/71/498563771.db2.gz HOACVHRIDWSUHU-HZPDHXFCSA-N 1 1 361.486 3.224 20 5 FGBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC000294034390 498568896 /nfs/dbraw/zinc/56/88/96/498568896.db2.gz OLEBDFBQKJRCHH-UHFFFAOYSA-N 1 1 364.405 3.034 20 5 FGBDMO O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000572807793 506056030 /nfs/dbraw/zinc/05/60/30/506056030.db2.gz JDWMQJHDAILARF-IBGZPJMESA-N 1 1 370.453 3.142 20 5 FGBDMO O=C(c1csc([N+](=O)[O-])c1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000365744821 498621625 /nfs/dbraw/zinc/62/16/25/498621625.db2.gz AILPXDUDJFXYAZ-DOTOQJQBSA-N 1 1 371.462 3.250 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000365747171 498622936 /nfs/dbraw/zinc/62/29/36/498622936.db2.gz OWZMWYFMYFYLLJ-RTBURBONSA-N 1 1 365.433 3.189 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)cc1 ZINC000303164450 498653107 /nfs/dbraw/zinc/65/31/07/498653107.db2.gz FSKLVYKAPDRJEJ-CYBMUJFWSA-N 1 1 370.409 3.322 20 5 FGBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000579017187 506075247 /nfs/dbraw/zinc/07/52/47/506075247.db2.gz NGDPUASPWPXASO-IEBWSBKVSA-N 1 1 365.433 3.156 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000303918175 498727500 /nfs/dbraw/zinc/72/75/00/498727500.db2.gz VOIYBOLKNGNVCU-KRWDZBQOSA-N 1 1 355.438 3.180 20 5 FGBDMO CCc1nn(C)c(NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000311895855 498756449 /nfs/dbraw/zinc/75/64/49/498756449.db2.gz DZVKQPUGGPHHLF-MRXNPFEDSA-N 1 1 357.458 3.215 20 5 FGBDMO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc(N2CCCNC2=O)cc1 ZINC000291068480 498781487 /nfs/dbraw/zinc/78/14/87/498781487.db2.gz LGBPSDQLOMNUNI-LBPRGKRZSA-N 1 1 360.439 3.427 20 5 FGBDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291372757 498914621 /nfs/dbraw/zinc/91/46/21/498914621.db2.gz APUSQSZMJFTEKK-VIFPVBQESA-N 1 1 358.225 3.116 20 5 FGBDMO Cc1[nH+]ccn1CCCN(C)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000283639408 498945068 /nfs/dbraw/zinc/94/50/68/498945068.db2.gz BUWOAJYNNPCXGK-UHFFFAOYSA-N 1 1 351.794 3.307 20 5 FGBDMO C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000295226107 498948267 /nfs/dbraw/zinc/94/82/67/498948267.db2.gz BBHOLEMUIQKEQT-NSHDSACASA-N 1 1 371.359 3.170 20 5 FGBDMO CCN1CCC[C@@H](C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)[C@@H]1c1cnn(C)c1 ZINC000372515955 499137260 /nfs/dbraw/zinc/13/72/60/499137260.db2.gz IOWAREKBZBEZOI-FXAWDEMLSA-N 1 1 371.485 3.233 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@](CO)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000367164228 499155905 /nfs/dbraw/zinc/15/59/05/499155905.db2.gz OKALYAGFZBUGNP-IBGZPJMESA-N 1 1 371.393 3.029 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@](CO)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000367164228 499155907 /nfs/dbraw/zinc/15/59/07/499155907.db2.gz OKALYAGFZBUGNP-IBGZPJMESA-N 1 1 371.393 3.029 20 5 FGBDMO CC(C)[N@H+]1CCc2nc(CN(C)CCc3cccc([N+](=O)[O-])c3)sc2C1 ZINC000367350794 499186303 /nfs/dbraw/zinc/18/63/03/499186303.db2.gz XMQYUCRFFDTFNP-UHFFFAOYSA-N 1 1 374.510 3.492 20 5 FGBDMO CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000370236881 499200563 /nfs/dbraw/zinc/20/05/63/499200563.db2.gz RVXSDEWVVLVMIH-JKSUJKDBSA-N 1 1 372.425 3.101 20 5 FGBDMO CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000370236881 499200565 /nfs/dbraw/zinc/20/05/65/499200565.db2.gz RVXSDEWVVLVMIH-JKSUJKDBSA-N 1 1 372.425 3.101 20 5 FGBDMO COc1cc(C[N@@H+]2CCC[C@@]23CCOC3)c([N+](=O)[O-])cc1OCC(F)F ZINC000367459636 499201653 /nfs/dbraw/zinc/20/16/53/499201653.db2.gz VCFGVBAMKBJSBQ-KRWDZBQOSA-N 1 1 372.368 3.002 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@@]23CCOC3)c([N+](=O)[O-])cc1OCC(F)F ZINC000367459636 499201654 /nfs/dbraw/zinc/20/16/54/499201654.db2.gz VCFGVBAMKBJSBQ-KRWDZBQOSA-N 1 1 372.368 3.002 20 5 FGBDMO O=C1C[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CN1 ZINC000367541708 499210577 /nfs/dbraw/zinc/21/05/77/499210577.db2.gz IYZHOTPRBXVYGW-YJBOKZPZSA-N 1 1 369.421 3.345 20 5 FGBDMO Cc1nc(C[NH+]2CCC(CNc3ccc(N)cc3[N+](=O)[O-])CC2)cs1 ZINC000367717366 499227642 /nfs/dbraw/zinc/22/76/42/499227642.db2.gz SRXYUDSQCRKQMX-UHFFFAOYSA-N 1 1 361.471 3.266 20 5 FGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC([C@H]2CCCOC2)CC1 ZINC000368003020 499254053 /nfs/dbraw/zinc/25/40/53/499254053.db2.gz VCGVFARUQLFTLA-HOCLYGCPSA-N 1 1 361.442 3.060 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)ccc1Br ZINC000371331324 499311152 /nfs/dbraw/zinc/31/11/52/499311152.db2.gz GSJIYXKJXZFXCS-STQMWFEESA-N 1 1 355.232 3.216 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000368593584 499311672 /nfs/dbraw/zinc/31/16/72/499311672.db2.gz UAERHHSYJGAGAK-MJGOQNOKSA-N 1 1 360.502 3.065 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000368593584 499311674 /nfs/dbraw/zinc/31/16/74/499311674.db2.gz UAERHHSYJGAGAK-MJGOQNOKSA-N 1 1 360.502 3.065 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@@H](Nc4ccccc4)C3)n2)cc1 ZINC000371511557 499336552 /nfs/dbraw/zinc/33/65/52/499336552.db2.gz RGEAEOOFPHCMPF-MRXNPFEDSA-N 1 1 365.393 3.331 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@@H](Nc4ccccc4)C3)n2)cc1 ZINC000371511557 499336555 /nfs/dbraw/zinc/33/65/55/499336555.db2.gz RGEAEOOFPHCMPF-MRXNPFEDSA-N 1 1 365.393 3.331 20 5 FGBDMO COc1cc(C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)ccc1SC ZINC000369020676 499358072 /nfs/dbraw/zinc/35/80/72/499358072.db2.gz ZZDRMYRLNNBBDK-CQSZACIVSA-N 1 1 362.455 3.359 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)ccc1SC ZINC000369020676 499358074 /nfs/dbraw/zinc/35/80/74/499358074.db2.gz ZZDRMYRLNNBBDK-CQSZACIVSA-N 1 1 362.455 3.359 20 5 FGBDMO COc1ccc(C(=O)N2CCC[C@H]2CNc2cccc(C)[nH+]2)cc1[N+](=O)[O-] ZINC000369505882 499410439 /nfs/dbraw/zinc/41/04/39/499410439.db2.gz LRMGZNVGNDOQBK-HNNXBMFYSA-N 1 1 370.409 3.024 20 5 FGBDMO CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000369560128 499417718 /nfs/dbraw/zinc/41/77/18/499417718.db2.gz IUOPPNHLBDFCHC-CQSZACIVSA-N 1 1 373.413 3.059 20 5 FGBDMO Cc1cccc(C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000369567528 499419251 /nfs/dbraw/zinc/41/92/51/499419251.db2.gz HWSHXVVBCGUUSG-DYVFJYSZSA-N 1 1 359.451 3.388 20 5 FGBDMO Cc1sc(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000369569019 499419715 /nfs/dbraw/zinc/41/97/15/499419715.db2.gz MULBOJVTINKFJB-XHDPSFHLSA-N 1 1 365.480 3.449 20 5 FGBDMO C[N@H+]1CCC[C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000369668617 499434361 /nfs/dbraw/zinc/43/43/61/499434361.db2.gz YFBLRGSNSPRJPH-KXBFYZLASA-N 1 1 373.478 3.398 20 5 FGBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3ccc(OC(F)F)cc3)C2)c1 ZINC000373581484 499478103 /nfs/dbraw/zinc/47/81/03/499478103.db2.gz FHYURZIHPCKGGR-CYBMUJFWSA-N 1 1 352.341 3.230 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC=C(c2cccnc2)CC1 ZINC000378347181 499504540 /nfs/dbraw/zinc/50/45/40/499504540.db2.gz IBLMFRXORYPSLE-UHFFFAOYSA-N 1 1 366.421 3.416 20 5 FGBDMO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c(C)c1 ZINC000375406657 499514893 /nfs/dbraw/zinc/51/48/93/499514893.db2.gz WWBFTAOZIATGCH-HZPDHXFCSA-N 1 1 371.441 3.072 20 5 FGBDMO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c(C)c1 ZINC000375406657 499514895 /nfs/dbraw/zinc/51/48/95/499514895.db2.gz WWBFTAOZIATGCH-HZPDHXFCSA-N 1 1 371.441 3.072 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCCN(C(=O)c2ccco2)CC1 ZINC000378506706 499525235 /nfs/dbraw/zinc/52/52/35/499525235.db2.gz RNPXBJKHYLHWIO-HNNXBMFYSA-N 1 1 357.410 3.405 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCCN(C(=O)c2ccco2)CC1 ZINC000378506706 499525237 /nfs/dbraw/zinc/52/52/37/499525237.db2.gz RNPXBJKHYLHWIO-HNNXBMFYSA-N 1 1 357.410 3.405 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000375622383 499538890 /nfs/dbraw/zinc/53/88/90/499538890.db2.gz DHUWRARGSQLSBW-QGZVFWFLSA-N 1 1 357.414 3.182 20 5 FGBDMO C[C@@H]1C[C@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000379678040 499542501 /nfs/dbraw/zinc/54/25/01/499542501.db2.gz DYDWPIBCDNHOJM-GDBMZVCRSA-N 1 1 365.437 3.358 20 5 FGBDMO CNc1c(C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000379696889 499542790 /nfs/dbraw/zinc/54/27/90/499542790.db2.gz YEXKQRCWFBLISO-OAHLLOKOSA-N 1 1 370.453 3.277 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000389785353 499553075 /nfs/dbraw/zinc/55/30/75/499553075.db2.gz LHYVOFXVHJWTBJ-FZKQIMNGSA-N 1 1 351.410 3.404 20 5 FGBDMO Cc1nn(C)c(NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000394118050 499561411 /nfs/dbraw/zinc/56/14/11/499561411.db2.gz ULINCKQXOKEQDU-QGZVFWFLSA-N 1 1 357.458 3.351 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000397992358 499565838 /nfs/dbraw/zinc/56/58/38/499565838.db2.gz QVKWGNRPDRJFDZ-WMLDXEAASA-N 1 1 368.437 3.016 20 5 FGBDMO CC1(C)C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000582173265 506150787 /nfs/dbraw/zinc/15/07/87/506150787.db2.gz SCKMLOVMLSBSCE-GUYCJALGSA-N 1 1 362.451 3.479 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000408411615 499587449 /nfs/dbraw/zinc/58/74/49/499587449.db2.gz JCXUVULFDULEGY-TZMCWYRMSA-N 1 1 351.834 3.255 20 5 FGBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000377056888 499657710 /nfs/dbraw/zinc/65/77/10/499657710.db2.gz NFOHNQPDGNLSGB-LSDHHAIUSA-N 1 1 361.445 3.038 20 5 FGBDMO CSc1ccc(OC[C@@H](O)C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000411335811 499727022 /nfs/dbraw/zinc/72/70/22/499727022.db2.gz QPGVVQCTYWSOIP-KRWDZBQOSA-N 1 1 374.462 3.115 20 5 FGBDMO CSc1ccc(OC[C@@H](O)C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000411335811 499727023 /nfs/dbraw/zinc/72/70/23/499727023.db2.gz QPGVVQCTYWSOIP-KRWDZBQOSA-N 1 1 374.462 3.115 20 5 FGBDMO Cc1cc([C@H]2CCC[N@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)[nH]n1 ZINC000377838250 499740866 /nfs/dbraw/zinc/74/08/66/499740866.db2.gz WWWGDVFQQZTHCI-AWEZNQCLSA-N 1 1 368.397 3.056 20 5 FGBDMO Cc1cc([C@H]2CCC[N@@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)[nH]n1 ZINC000377838250 499740867 /nfs/dbraw/zinc/74/08/67/499740867.db2.gz WWWGDVFQQZTHCI-AWEZNQCLSA-N 1 1 368.397 3.056 20 5 FGBDMO Cc1cc([C@H]2CCC[N@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n[nH]1 ZINC000377838250 499740868 /nfs/dbraw/zinc/74/08/68/499740868.db2.gz WWWGDVFQQZTHCI-AWEZNQCLSA-N 1 1 368.397 3.056 20 5 FGBDMO Cc1cc([C@H]2CCC[N@@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n[nH]1 ZINC000377838250 499740869 /nfs/dbraw/zinc/74/08/69/499740869.db2.gz WWWGDVFQQZTHCI-AWEZNQCLSA-N 1 1 368.397 3.056 20 5 FGBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411597209 499767201 /nfs/dbraw/zinc/76/72/01/499767201.db2.gz RXNRKRCCSJYATI-WCVDCBDPSA-N 1 1 359.470 3.181 20 5 FGBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000412004353 499811768 /nfs/dbraw/zinc/81/17/68/499811768.db2.gz CWMRFEDBYOVTSC-MOPGFXCFSA-N 1 1 355.438 3.415 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414784563 499831196 /nfs/dbraw/zinc/83/11/96/499831196.db2.gz RLALXGZVHDMBDY-STQMWFEESA-N 1 1 355.385 3.018 20 5 FGBDMO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000414886103 499841554 /nfs/dbraw/zinc/84/15/54/499841554.db2.gz CHCHBBTWEAMZNY-JZPMYCAGSA-N 1 1 355.413 3.482 20 5 FGBDMO COc1cc(CN[C@@H](C)CC[NH3+])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414900970 499843102 /nfs/dbraw/zinc/84/31/02/499843102.db2.gz WQTMDGPGHLZXIG-AWEZNQCLSA-N 1 1 359.426 3.009 20 5 FGBDMO C[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000412700748 499877734 /nfs/dbraw/zinc/87/77/34/499877734.db2.gz RFJPHTOPWKBFLY-QGZVFWFLSA-N 1 1 367.449 3.260 20 5 FGBDMO C[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000412700748 499877735 /nfs/dbraw/zinc/87/77/35/499877735.db2.gz RFJPHTOPWKBFLY-QGZVFWFLSA-N 1 1 367.449 3.260 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])c(OCc2ccc(C[NH+]3CCOCC3)cc2)n1 ZINC000421206153 499991578 /nfs/dbraw/zinc/99/15/78/499991578.db2.gz AHLJICIWFUKWPV-UHFFFAOYSA-N 1 1 357.410 3.018 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000429163543 500017091 /nfs/dbraw/zinc/01/70/91/500017091.db2.gz VKNCSULOQUJCHF-CYBMUJFWSA-N 1 1 352.847 3.348 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000429163543 500017093 /nfs/dbraw/zinc/01/70/93/500017093.db2.gz VKNCSULOQUJCHF-CYBMUJFWSA-N 1 1 352.847 3.348 20 5 FGBDMO 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/nfs/dbraw/zinc/38/74/46/501387446.db2.gz IGDZJHYVERZKNT-CYBMUJFWSA-N 1 1 351.472 3.169 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@@]4(CCSC4)C3)o2)cc1 ZINC000451954748 501406904 /nfs/dbraw/zinc/40/69/04/501406904.db2.gz AAYCLTYTIPQZDT-QGZVFWFLSA-N 1 1 360.439 3.364 20 5 FGBDMO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456317621 501496282 /nfs/dbraw/zinc/49/62/82/501496282.db2.gz ZCXIDNBTSCRBHA-MRXNPFEDSA-N 1 1 353.422 3.189 20 5 FGBDMO C[C@H](NC(=O)NCC[N@@H+](C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000454376531 501527351 /nfs/dbraw/zinc/52/73/51/501527351.db2.gz SKDJCAKRLNZHLM-HNNXBMFYSA-N 1 1 356.426 3.087 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CCCC1(C)C ZINC000457081315 501647116 /nfs/dbraw/zinc/64/71/16/501647116.db2.gz VKCUQNCMPTVDPU-ZDUSSCGKSA-N 1 1 351.472 3.066 20 5 FGBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000457093384 501649656 /nfs/dbraw/zinc/64/96/56/501649656.db2.gz OCLHZZNZWDMSHF-GFCCVEGCSA-N 1 1 359.348 3.168 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467217221 501740905 /nfs/dbraw/zinc/74/09/05/501740905.db2.gz MKFFQJXWQPOTLH-OAHLLOKOSA-N 1 1 368.865 3.168 20 5 FGBDMO CCCN(C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](C)C1 ZINC000592833225 506271179 /nfs/dbraw/zinc/27/11/79/506271179.db2.gz XEKHGMHHXAAGOH-DZGCQCFKSA-N 1 1 351.472 3.018 20 5 FGBDMO COCC[C@@H]1CCCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000467266692 501752300 /nfs/dbraw/zinc/75/23/00/501752300.db2.gz UGQWHIOBCXHQBM-HOTGVXAUSA-N 1 1 363.458 3.369 20 5 FGBDMO CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460212233 501761173 /nfs/dbraw/zinc/76/11/73/501761173.db2.gz RZSFKNABSSWDOX-GOEBONIOSA-N 1 1 372.473 3.182 20 5 FGBDMO COC[C@@H]1CCCC[N@@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000467311265 501767618 /nfs/dbraw/zinc/76/76/18/501767618.db2.gz OOTUMMFROWPHGQ-GFCCVEGCSA-N 1 1 374.384 3.453 20 5 FGBDMO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000481522320 501800862 /nfs/dbraw/zinc/80/08/62/501800862.db2.gz PXZNUXSIFJGBFK-CJNGLKHVSA-N 1 1 373.409 3.066 20 5 FGBDMO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000481522320 501800863 /nfs/dbraw/zinc/80/08/63/501800863.db2.gz PXZNUXSIFJGBFK-CJNGLKHVSA-N 1 1 373.409 3.066 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000481528405 501803337 /nfs/dbraw/zinc/80/33/37/501803337.db2.gz NBTSZORQAIURDH-HNNXBMFYSA-N 1 1 359.401 3.165 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)nc1-c1ccc(F)cc1 ZINC000485391637 501807180 /nfs/dbraw/zinc/80/71/80/501807180.db2.gz RKPWXZXIYYQVOY-HZPDHXFCSA-N 1 1 356.401 3.257 20 5 FGBDMO C[NH+](C)Cc1ccc(NC(=O)CNc2ccccc2[N+](=O)[O-])cc1Cl ZINC000478025918 501857178 /nfs/dbraw/zinc/85/71/78/501857178.db2.gz HQUYCIIYZBXGMW-UHFFFAOYSA-N 1 1 362.817 3.360 20 5 FGBDMO CSc1ccccc1C[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000470999220 501888124 /nfs/dbraw/zinc/88/81/24/501888124.db2.gz SZDXNEKLMABSAG-INIZCTEOSA-N 1 1 362.451 3.188 20 5 FGBDMO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@H+]1Cc1ccccc1 ZINC000596151237 506281328 /nfs/dbraw/zinc/28/13/28/506281328.db2.gz BWZPZINWAYJDLU-RHSMWYFYSA-N 1 1 368.437 3.159 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC000474724888 501933913 /nfs/dbraw/zinc/93/39/13/501933913.db2.gz XCLKANDRAIPXEP-UHFFFAOYSA-N 1 1 356.357 3.218 20 5 FGBDMO C[N@@H+](CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000481994275 501939077 /nfs/dbraw/zinc/93/90/77/501939077.db2.gz RQTBVSPBXREQMR-UHFFFAOYSA-N 1 1 365.792 3.249 20 5 FGBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000582539333 506283131 /nfs/dbraw/zinc/28/31/31/506283131.db2.gz KCRRJXNGDYADFZ-LLVKDONJSA-N 1 1 372.263 3.208 20 5 FGBDMO COc1ccc(C[N@H+]2CCCN(c3ccc([N+](=O)[O-])c(N)c3F)CC2)cc1 ZINC000471249331 501967091 /nfs/dbraw/zinc/96/70/91/501967091.db2.gz HOTYMQVQUSPWJC-UHFFFAOYSA-N 1 1 374.416 3.037 20 5 FGBDMO COc1c(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000474896359 501982984 /nfs/dbraw/zinc/98/29/84/501982984.db2.gz CUDQZQLGIZGSMN-UHFFFAOYSA-N 1 1 371.437 3.374 20 5 FGBDMO CCC1(CC)C[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCS1 ZINC000464587426 502037553 /nfs/dbraw/zinc/03/75/53/502037553.db2.gz LDZWWEVPLPDRKW-UHFFFAOYSA-N 1 1 351.472 3.449 20 5 FGBDMO CCC1(CC)C[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCS1 ZINC000464587426 502037559 /nfs/dbraw/zinc/03/75/59/502037559.db2.gz LDZWWEVPLPDRKW-UHFFFAOYSA-N 1 1 351.472 3.449 20 5 FGBDMO Cc1c(CNC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)cccc1[N+](=O)[O-] ZINC000599040576 506290250 /nfs/dbraw/zinc/29/02/50/506290250.db2.gz KGAJFGKIMJTJQF-KRWDZBQOSA-N 1 1 360.458 3.109 20 5 FGBDMO Cc1cc(C(F)(F)F)cc(N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)[nH+]1 ZINC000596174646 506293410 /nfs/dbraw/zinc/29/34/10/506293410.db2.gz KAWYESFMTRFCLE-LBPRGKRZSA-N 1 1 367.331 3.403 20 5 FGBDMO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C1=CC[N@@H+](C)CC1 ZINC000475229536 502105944 /nfs/dbraw/zinc/10/59/44/502105944.db2.gz FQTJZNAWWVIFKB-JTQLQIEISA-N 1 1 372.347 3.386 20 5 FGBDMO CC[C@@H](Nc1ncc(C)cc1[N+](=O)[O-])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000471698634 502111664 /nfs/dbraw/zinc/11/16/64/502111664.db2.gz RBVAJUGPJFFBSY-MJGOQNOKSA-N 1 1 370.453 3.390 20 5 FGBDMO CC[C@@H](Nc1ncc(C)cc1[N+](=O)[O-])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000471698634 502111668 /nfs/dbraw/zinc/11/16/68/502111668.db2.gz RBVAJUGPJFFBSY-MJGOQNOKSA-N 1 1 370.453 3.390 20 5 FGBDMO CCCCOC1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000464847702 502118464 /nfs/dbraw/zinc/11/84/64/502118464.db2.gz DURHWWMSBIJXSR-UHFFFAOYSA-N 1 1 360.414 3.426 20 5 FGBDMO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)CCO2 ZINC000475289646 502121285 /nfs/dbraw/zinc/12/12/85/502121285.db2.gz BKEDAHSXLPYUKY-LIRRHRJNSA-N 1 1 358.394 3.235 20 5 FGBDMO C[C@@H]1OCC[C@]12C[N@@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)CCO2 ZINC000475289646 502121289 /nfs/dbraw/zinc/12/12/89/502121289.db2.gz BKEDAHSXLPYUKY-LIRRHRJNSA-N 1 1 358.394 3.235 20 5 FGBDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1Cc2ccccc2C1 ZINC000475515740 502200265 /nfs/dbraw/zinc/20/02/65/502200265.db2.gz GEXOTKHJPGNLRD-LBPRGKRZSA-N 1 1 359.813 3.269 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]([C@@H](C)c2ccco2)C2CC2)cc1[N+](=O)[O-] ZINC000475575686 502215910 /nfs/dbraw/zinc/21/59/10/502215910.db2.gz POKJWCNCEYDOPK-ZDUSSCGKSA-N 1 1 374.393 3.465 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+]([C@@H](C)c2ccco2)C2CC2)cc1[N+](=O)[O-] ZINC000475575686 502215916 /nfs/dbraw/zinc/21/59/16/502215916.db2.gz POKJWCNCEYDOPK-ZDUSSCGKSA-N 1 1 374.393 3.465 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2[C@H](C)C[C@@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000475711113 502260580 /nfs/dbraw/zinc/26/05/80/502260580.db2.gz AVNYIXOBKVZVBT-VNQPRFMTSA-N 1 1 362.426 3.300 20 5 FGBDMO CC[C@H]1CCCCC[N@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000475721147 502263389 /nfs/dbraw/zinc/26/33/89/502263389.db2.gz ZYHYSQNYSNLCRL-HNNXBMFYSA-N 1 1 350.415 3.301 20 5 FGBDMO CC[C@@H]1CCCCC[N@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000475721149 502263562 /nfs/dbraw/zinc/26/35/62/502263562.db2.gz ZYHYSQNYSNLCRL-OAHLLOKOSA-N 1 1 350.415 3.301 20 5 FGBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000462001938 502269272 /nfs/dbraw/zinc/26/92/72/502269272.db2.gz KCJQQTQQKVYEFK-OAHLLOKOSA-N 1 1 362.474 3.389 20 5 FGBDMO CCOc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)cc1 ZINC000462098752 502306752 /nfs/dbraw/zinc/30/67/52/502306752.db2.gz PRUHYAJDVSXQOZ-UHFFFAOYSA-N 1 1 371.437 3.324 20 5 FGBDMO CCCN(Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000475862327 502312795 /nfs/dbraw/zinc/31/27/95/502312795.db2.gz BLTLSIZUWMWVCM-GOSISDBHSA-N 1 1 371.485 3.205 20 5 FGBDMO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000472326528 502315665 /nfs/dbraw/zinc/31/56/65/502315665.db2.gz ZICOXDGRTDVXCE-YVWKXTFCSA-N 1 1 370.449 3.288 20 5 FGBDMO CC[N@@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000462482675 502458271 /nfs/dbraw/zinc/45/82/71/502458271.db2.gz HVAJEDSJGXVMKB-QGZVFWFLSA-N 1 1 370.453 3.347 20 5 FGBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000480077464 502466351 /nfs/dbraw/zinc/46/63/51/502466351.db2.gz KYTCKODMITWJNZ-HOCLYGCPSA-N 1 1 369.421 3.420 20 5 FGBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000480077464 502466354 /nfs/dbraw/zinc/46/63/54/502466354.db2.gz KYTCKODMITWJNZ-HOCLYGCPSA-N 1 1 369.421 3.420 20 5 FGBDMO C[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@H](C)C1 ZINC000466243612 502514509 /nfs/dbraw/zinc/51/45/09/502514509.db2.gz VIXGTCCJOHWKEJ-QWHCGFSZSA-N 1 1 368.865 3.168 20 5 FGBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000462698360 502537641 /nfs/dbraw/zinc/53/76/41/502537641.db2.gz YBJCIBYKHUIPFH-GJZGRUSLSA-N 1 1 356.426 3.098 20 5 FGBDMO CCOCCC[N@H+]1CC[C@H](NCc2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000469769917 502538894 /nfs/dbraw/zinc/53/88/94/502538894.db2.gz RNWXPHXSBDYJAC-YOEHRIQHSA-N 1 1 369.893 3.475 20 5 FGBDMO CC[C@@H](NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000484136647 502579758 /nfs/dbraw/zinc/57/97/58/502579758.db2.gz VSURXHLCMKJNGF-NHCUHLMSSA-N 1 1 369.465 3.273 20 5 FGBDMO CC[C@@H]([NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000484136647 502579764 /nfs/dbraw/zinc/57/97/64/502579764.db2.gz VSURXHLCMKJNGF-NHCUHLMSSA-N 1 1 369.465 3.273 20 5 FGBDMO COC(=O)c1c(Cl)c(N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000596231462 506322165 /nfs/dbraw/zinc/32/21/65/506322165.db2.gz JHZFTPXKGKFBRM-FOSCPWQOSA-N 1 1 367.833 3.096 20 5 FGBDMO CNc1c(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000462935172 502632895 /nfs/dbraw/zinc/63/28/95/502632895.db2.gz HESYYTUNOOVEJQ-UHFFFAOYSA-N 1 1 370.453 3.407 20 5 FGBDMO Cc1[nH+]ccn1-c1cncc(NCCc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000476984448 502641747 /nfs/dbraw/zinc/64/17/47/502641747.db2.gz AACXHBAMXYSVEH-UHFFFAOYSA-N 1 1 358.789 3.187 20 5 FGBDMO O=[N+]([O-])c1c(N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)ccc2cnccc21 ZINC000599110006 506326940 /nfs/dbraw/zinc/32/69/40/506326940.db2.gz BRWFLLXLCOWKEV-QZTJIDSGSA-N 1 1 368.437 3.198 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000470145787 502677950 /nfs/dbraw/zinc/67/79/50/502677950.db2.gz ZBKLGHSOWWQOJD-IAGOWNOFSA-N 1 1 358.373 3.301 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC(=O)NCc1cccs1 ZINC000470174327 502695180 /nfs/dbraw/zinc/69/51/80/502695180.db2.gz JYXNFGHIESKLJN-NTEUORMPSA-N 1 1 359.451 3.308 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CC(=O)NCc1cccs1 ZINC000470174327 502695186 /nfs/dbraw/zinc/69/51/86/502695186.db2.gz JYXNFGHIESKLJN-NTEUORMPSA-N 1 1 359.451 3.308 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000488468516 502723677 /nfs/dbraw/zinc/72/36/77/502723677.db2.gz PHCUFDQAWJBXFR-DZGCQCFKSA-N 1 1 359.451 3.297 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000488479944 502726760 /nfs/dbraw/zinc/72/67/60/502726760.db2.gz NUZFAMYNRIRFBP-KUHUBIRLSA-N 1 1 371.412 3.374 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](Cc4ccccc4F)CC3)nc2c1 ZINC000481198490 502780973 /nfs/dbraw/zinc/78/09/73/502780973.db2.gz BFUYQFUYIXATGQ-UHFFFAOYSA-N 1 1 369.400 3.323 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](Cc2cccc(O)c2)CC2CC2)c1 ZINC000593012022 506334424 /nfs/dbraw/zinc/33/44/24/506334424.db2.gz OPFNMLVXBMZVFX-UHFFFAOYSA-N 1 1 370.405 3.499 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](Cc2cccc(O)c2)CC2CC2)c1 ZINC000593012022 506334429 /nfs/dbraw/zinc/33/44/29/506334429.db2.gz OPFNMLVXBMZVFX-UHFFFAOYSA-N 1 1 370.405 3.499 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](CO)[C@H]2C)cc1OC ZINC000488750400 502802774 /nfs/dbraw/zinc/80/27/74/502802774.db2.gz UDOROZLIKJYNRJ-ZNMIVQPWSA-N 1 1 366.458 3.231 20 5 FGBDMO Cc1cc(N2CCC([N@@H+]3CCCOCC3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000596269383 506335517 /nfs/dbraw/zinc/33/55/17/506335517.db2.gz SMIPTLALAYDHPY-UHFFFAOYSA-N 1 1 370.453 3.143 20 5 FGBDMO Cc1cc(N2CCC([N@H+]3CCCOCC3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000596269383 506335524 /nfs/dbraw/zinc/33/55/24/506335524.db2.gz SMIPTLALAYDHPY-UHFFFAOYSA-N 1 1 370.453 3.143 20 5 FGBDMO NC(=O)c1cc(S[C@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000596275832 506337969 /nfs/dbraw/zinc/33/79/69/506337969.db2.gz XMRVMHSYWBOOCM-INIZCTEOSA-N 1 1 371.462 3.450 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000509488218 502916681 /nfs/dbraw/zinc/91/66/81/502916681.db2.gz JRAUOQSQQSZZLP-STQMWFEESA-N 1 1 351.472 3.262 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000509488218 502916684 /nfs/dbraw/zinc/91/66/84/502916684.db2.gz JRAUOQSQQSZZLP-STQMWFEESA-N 1 1 351.472 3.262 20 5 FGBDMO CC[N@@H+](CCNC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)C(C)C ZINC000509684627 502967590 /nfs/dbraw/zinc/96/75/90/502967590.db2.gz PQIOGMYMEBKZHI-UHFFFAOYSA-N 1 1 372.263 3.126 20 5 FGBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(c3ccc(F)cn3)CC2)c2c(c1)COCO2 ZINC000602902936 506344987 /nfs/dbraw/zinc/34/49/87/506344987.db2.gz GYVIJBFNLVFCQO-UHFFFAOYSA-N 1 1 373.384 3.375 20 5 FGBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H]2/C=C\c2ccccc2)c([N+](=O)[O-])c1 ZINC000505841719 502997387 /nfs/dbraw/zinc/99/73/87/502997387.db2.gz XRLAQYRNGUHLEA-IBWPDUFMSA-N 1 1 351.406 3.372 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000514089145 503084866 /nfs/dbraw/zinc/08/48/66/503084866.db2.gz OXSLQGHGZVWHMJ-HKUYNNGSSA-N 1 1 364.405 3.011 20 5 FGBDMO Cc1cccc(OC[C@@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000490827714 503233592 /nfs/dbraw/zinc/23/35/92/503233592.db2.gz OHPFYHBUYUCSOP-IBGZPJMESA-N 1 1 356.422 3.308 20 5 FGBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])[C@H]1CCCN(c2ccccc2F)C1=O ZINC000511108974 503256919 /nfs/dbraw/zinc/25/69/19/503256919.db2.gz STNGVAUOMPPSLV-IBGZPJMESA-N 1 1 371.412 3.404 20 5 FGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])[C@H]1CCCN(c2ccccc2F)C1=O ZINC000511108974 503256925 /nfs/dbraw/zinc/25/69/25/503256925.db2.gz STNGVAUOMPPSLV-IBGZPJMESA-N 1 1 371.412 3.404 20 5 FGBDMO Cc1cc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)cn2cc[nH+]c12 ZINC000502901667 503303870 /nfs/dbraw/zinc/30/38/70/503303870.db2.gz ITNAUZNZCJKCDL-UHFFFAOYSA-N 1 1 362.292 3.405 20 5 FGBDMO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000515313565 503311921 /nfs/dbraw/zinc/31/19/21/503311921.db2.gz OZKIOOYVMBXMAI-OAHLLOKOSA-N 1 1 371.437 3.413 20 5 FGBDMO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000515313565 503311923 /nfs/dbraw/zinc/31/19/23/503311923.db2.gz OZKIOOYVMBXMAI-OAHLLOKOSA-N 1 1 371.437 3.413 20 5 FGBDMO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000492699633 503381638 /nfs/dbraw/zinc/38/16/38/503381638.db2.gz WJOYEQZQDVDMFX-INIZCTEOSA-N 1 1 363.458 3.122 20 5 FGBDMO CCOc1cc(CN2CC[NH+]([C@@H](C)c3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC000492791047 503385416 /nfs/dbraw/zinc/38/54/16/503385416.db2.gz QYPVGYPQHIHSKG-INIZCTEOSA-N 1 1 370.453 3.267 20 5 FGBDMO O=C([C@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000493047974 503403008 /nfs/dbraw/zinc/40/30/08/503403008.db2.gz GQDRGCKMWZHWRX-ZDUSSCGKSA-N 1 1 351.834 3.083 20 5 FGBDMO O=C([C@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000493047974 503403012 /nfs/dbraw/zinc/40/30/12/503403012.db2.gz GQDRGCKMWZHWRX-ZDUSSCGKSA-N 1 1 351.834 3.083 20 5 FGBDMO C[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000499439787 503404472 /nfs/dbraw/zinc/40/44/72/503404472.db2.gz FKFGBBKMNWGEAF-KGLIPLIRSA-N 1 1 359.451 3.391 20 5 FGBDMO C[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000499439787 503404475 /nfs/dbraw/zinc/40/44/75/503404475.db2.gz FKFGBBKMNWGEAF-KGLIPLIRSA-N 1 1 359.451 3.391 20 5 FGBDMO O=[N+]([O-])c1cc(CN2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)cs1 ZINC000593068462 506371347 /nfs/dbraw/zinc/37/13/47/506371347.db2.gz OMYFOWOYHQJHDR-QZTJIDSGSA-N 1 1 373.478 3.132 20 5 FGBDMO C[N@@H+](Cc1ccc(F)cc1Cl)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000503622392 503447523 /nfs/dbraw/zinc/44/75/23/503447523.db2.gz NGNHTYBDAVGMEP-OAHLLOKOSA-N 1 1 368.792 3.259 20 5 FGBDMO C[N@H+](Cc1ccc(F)cc1Cl)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000503622392 503447526 /nfs/dbraw/zinc/44/75/26/503447526.db2.gz NGNHTYBDAVGMEP-OAHLLOKOSA-N 1 1 368.792 3.259 20 5 FGBDMO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cc(Br)ccc1Cl ZINC000494244951 503511009 /nfs/dbraw/zinc/51/10/09/503511009.db2.gz MYALNKAVNNKKRH-UHFFFAOYSA-N 1 1 373.638 3.339 20 5 FGBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cc(Br)ccc1Cl ZINC000494244951 503511012 /nfs/dbraw/zinc/51/10/12/503511012.db2.gz MYALNKAVNNKKRH-UHFFFAOYSA-N 1 1 373.638 3.339 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC3(CC3(F)F)CC2)cccc1[N+](=O)[O-] ZINC000593073760 506376277 /nfs/dbraw/zinc/37/62/77/506376277.db2.gz XZKHMGFQABPUMY-GFCCVEGCSA-N 1 1 353.369 3.351 20 5 FGBDMO CCO[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000500075397 503546270 /nfs/dbraw/zinc/54/62/70/503546270.db2.gz PIIGCSGDFLQESH-DLBZAZTESA-N 1 1 361.442 3.203 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCCC[C@@H]1C[C@H](C)O ZINC000512470612 503563030 /nfs/dbraw/zinc/56/30/30/503563030.db2.gz ZVDWQFJZKSUVCJ-JKSUJKDBSA-N 1 1 363.458 3.247 20 5 FGBDMO Cc1cnn(-c2cc[nH+]cc2NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000504794487 503615832 /nfs/dbraw/zinc/61/58/32/503615832.db2.gz QEICPDZYHHUXKG-UHFFFAOYSA-N 1 1 363.333 3.482 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000512834801 503641981 /nfs/dbraw/zinc/64/19/81/503641981.db2.gz UALOZWJVHRBWBP-GHMZBOCLSA-N 1 1 368.340 3.267 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000512834801 503641982 /nfs/dbraw/zinc/64/19/82/503641982.db2.gz UALOZWJVHRBWBP-GHMZBOCLSA-N 1 1 368.340 3.267 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@H]3[C@@H]3CCCOC3)n2)cc1 ZINC000517027289 503647514 /nfs/dbraw/zinc/64/75/14/503647514.db2.gz HIPDBXMIIJCHCM-ZBFHGGJFSA-N 1 1 358.398 3.036 20 5 FGBDMO O=[N+]([O-])c1cccc(C[N@@H+](Cc2ccc(-n3cncn3)c(F)c2)C2CC2)c1 ZINC000536637989 503654583 /nfs/dbraw/zinc/65/45/83/503654583.db2.gz GCXCXIQFQMHRPZ-UHFFFAOYSA-N 1 1 367.384 3.479 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](Cc1ccccc1)C[C@@H](C)O ZINC000532973555 503683000 /nfs/dbraw/zinc/68/30/00/503683000.db2.gz IJPUTWWLVNRNFI-MRXNPFEDSA-N 1 1 371.437 3.115 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@](O)(CC)C2)cc1OC ZINC000495204128 503699071 /nfs/dbraw/zinc/69/90/71/503699071.db2.gz UMAMPBLIEQUOHL-IFXJQAMLSA-N 1 1 366.458 3.375 20 5 FGBDMO CCC[N@@H+](CC)CCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000543333275 503727525 /nfs/dbraw/zinc/72/75/25/503727525.db2.gz QUMKIONNCGCOGQ-UHFFFAOYSA-N 1 1 359.879 3.188 20 5 FGBDMO C[N@@H+](CCc1cccc(NC(=O)CNc2ccccc2[N+](=O)[O-])c1)C1CC1 ZINC000540430594 503768921 /nfs/dbraw/zinc/76/89/21/503768921.db2.gz SAUNVZWNHBCPKL-UHFFFAOYSA-N 1 1 368.437 3.282 20 5 FGBDMO C[C@H]([NH2+]CC(=O)NCc1ccc(Cl)s1)c1ccccc1[N+](=O)[O-] ZINC000540479428 503784534 /nfs/dbraw/zinc/78/45/34/503784534.db2.gz IFLBTSXNZFIKFY-JTQLQIEISA-N 1 1 353.831 3.277 20 5 FGBDMO C[C@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1=O)c1ccccc1[N+](=O)[O-] ZINC000537176371 503828478 /nfs/dbraw/zinc/82/84/78/503828478.db2.gz DSBORDDIMIILAS-NHYWBVRUSA-N 1 1 361.348 3.329 20 5 FGBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000543640031 503837624 /nfs/dbraw/zinc/83/76/24/503837624.db2.gz FVYFEAWPMUABNO-FRRDWIJNSA-N 1 1 352.410 3.222 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000533431232 503842439 /nfs/dbraw/zinc/84/24/39/503842439.db2.gz NIFOUTYEUWMLPX-WBVHZDCISA-N 1 1 353.422 3.486 20 5 FGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000533431228 503843074 /nfs/dbraw/zinc/84/30/74/503843074.db2.gz NIFOUTYEUWMLPX-DOTOQJQBSA-N 1 1 353.422 3.486 20 5 FGBDMO C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000533435866 503844630 /nfs/dbraw/zinc/84/46/30/503844630.db2.gz LUCLRQAOYCPGBL-MAUKXSAKSA-N 1 1 365.433 3.362 20 5 FGBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000517877411 503856275 /nfs/dbraw/zinc/85/62/75/503856275.db2.gz RGOXAZSNTBOCJT-GOEBONIOSA-N 1 1 369.421 3.169 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]1c1ccccn1 ZINC000533484620 503861803 /nfs/dbraw/zinc/86/18/03/503861803.db2.gz OHASPILZLZXCIP-SFHVURJKSA-N 1 1 354.410 3.464 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000533511787 503871441 /nfs/dbraw/zinc/87/14/41/503871441.db2.gz JIAHDMWUDFROQL-YYAJDYIMSA-N 1 1 374.485 3.259 20 5 FGBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000518148591 503916451 /nfs/dbraw/zinc/91/64/51/503916451.db2.gz UHBMDBYEWHPCPB-UHFFFAOYSA-N 1 1 361.442 3.145 20 5 FGBDMO COc1ccc(C[N@@H+](C)C2CC(O)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000546962351 503938858 /nfs/dbraw/zinc/93/88/58/503938858.db2.gz WPDYRYYMXWBERL-UHFFFAOYSA-N 1 1 372.421 3.138 20 5 FGBDMO COC(=O)COc1ccc(CNc2cccc3cc[nH+]cc32)cc1[N+](=O)[O-] ZINC000530387186 503946555 /nfs/dbraw/zinc/94/65/55/503946555.db2.gz XJFMJPQAUNCTSI-UHFFFAOYSA-N 1 1 367.361 3.307 20 5 FGBDMO CC(C)(C)C1CC[NH+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000530413898 503956404 /nfs/dbraw/zinc/95/64/04/503956404.db2.gz GVPUPSGPZVYHQE-UHFFFAOYSA-N 1 1 363.414 3.020 20 5 FGBDMO COc1cc(C)nc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000533839115 503966638 /nfs/dbraw/zinc/96/66/38/503966638.db2.gz IXQWXKXLLALVNX-UHFFFAOYSA-N 1 1 357.410 3.350 20 5 FGBDMO C[NH+](C)[C@@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000533993147 504012194 /nfs/dbraw/zinc/01/21/94/504012194.db2.gz WXCDSHSECSROOU-QGZVFWFLSA-N 1 1 361.829 3.210 20 5 FGBDMO Cc1cccc([C@@H]2CC[N@@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000544187273 504039427 /nfs/dbraw/zinc/03/94/27/504039427.db2.gz NVWUOTGVVGCLTA-MJGOQNOKSA-N 1 1 356.422 3.132 20 5 FGBDMO CC[N@@H+](CCC1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1)CC(C)C ZINC000538034103 504119528 /nfs/dbraw/zinc/11/95/28/504119528.db2.gz AJVQIDVFHKNFIB-UHFFFAOYSA-N 1 1 350.463 3.143 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[N@@H+](C)Cc3ccccc32)c1 ZINC000538413030 504240024 /nfs/dbraw/zinc/24/00/24/504240024.db2.gz RHWDTPVQIDUTJA-UHFFFAOYSA-N 1 1 369.421 3.151 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[N@H+](C)Cc3ccccc32)c1 ZINC000538413030 504240027 /nfs/dbraw/zinc/24/00/27/504240027.db2.gz RHWDTPVQIDUTJA-UHFFFAOYSA-N 1 1 369.421 3.151 20 5 FGBDMO CC(C)(C)[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000535022120 504316797 /nfs/dbraw/zinc/31/67/97/504316797.db2.gz MBTGDMAUINVISX-UHFFFAOYSA-N 1 1 356.426 3.089 20 5 FGBDMO COc1ccc(NC(=O)NCCC[N@@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000542031961 504341998 /nfs/dbraw/zinc/34/19/98/504341998.db2.gz DFEAUIBZFNKGFY-UHFFFAOYSA-N 1 1 364.446 3.380 20 5 FGBDMO COc1cc(OC)cc(N2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000531580080 504353505 /nfs/dbraw/zinc/35/35/05/504353505.db2.gz KGNUWUUIMBNIEZ-UHFFFAOYSA-N 1 1 371.437 3.324 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000535466931 504443190 /nfs/dbraw/zinc/44/31/90/504443190.db2.gz ADJLBLAWRAWPAD-OALUTQOASA-N 1 1 367.449 3.434 20 5 FGBDMO Cc1cc(CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc(N2CCCC2)[nH+]1 ZINC000520466450 504506967 /nfs/dbraw/zinc/50/69/67/504506967.db2.gz KAVNPTWEBIZIOP-HNNXBMFYSA-N 1 1 368.437 3.318 20 5 FGBDMO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)[C@@H](C)C1 ZINC000520630963 504545109 /nfs/dbraw/zinc/54/51/09/504545109.db2.gz IGZKVPIZOQCWHO-HNNXBMFYSA-N 1 1 356.426 3.099 20 5 FGBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000542612509 504552319 /nfs/dbraw/zinc/55/23/19/504552319.db2.gz UGRYPTRYHPVIDA-CQSZACIVSA-N 1 1 365.449 3.416 20 5 FGBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000520888911 504603127 /nfs/dbraw/zinc/60/31/27/504603127.db2.gz YLLOMMOPYXLQCD-KRWDZBQOSA-N 1 1 362.474 3.391 20 5 FGBDMO C[C@H](NC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000536023429 504612223 /nfs/dbraw/zinc/61/22/23/504612223.db2.gz PCQPBWUICWPXNT-SCLBCKFNSA-N 1 1 354.410 3.142 20 5 FGBDMO C[C@H](NC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000536023429 504612227 /nfs/dbraw/zinc/61/22/27/504612227.db2.gz PCQPBWUICWPXNT-SCLBCKFNSA-N 1 1 354.410 3.142 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000548936782 504628121 /nfs/dbraw/zinc/62/81/21/504628121.db2.gz MSQIHGXHPRYUQI-UONOGXRCSA-N 1 1 359.430 3.293 20 5 FGBDMO CCOCCC[N@H+]1CC[C@H](Nc2nc(C)cc(C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000542863515 504639163 /nfs/dbraw/zinc/63/91/63/504639163.db2.gz SLBWZGDGENHDFO-HOCLYGCPSA-N 1 1 350.463 3.156 20 5 FGBDMO COc1ccc(NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000542960717 504673603 /nfs/dbraw/zinc/67/36/03/504673603.db2.gz DMMSLVMBFIJIFQ-CYBMUJFWSA-N 1 1 364.446 3.235 20 5 FGBDMO COC(=O)c1ccccc1OCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000542970259 504677769 /nfs/dbraw/zinc/67/77/69/504677769.db2.gz VRMIRLFGSLKKCY-UHFFFAOYSA-N 1 1 370.405 3.425 20 5 FGBDMO COC(=O)c1ccccc1OCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000542970259 504677771 /nfs/dbraw/zinc/67/77/71/504677771.db2.gz VRMIRLFGSLKKCY-UHFFFAOYSA-N 1 1 370.405 3.425 20 5 FGBDMO CCc1ccc(CNC(=O)C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)s1 ZINC000549154219 504705154 /nfs/dbraw/zinc/70/51/54/504705154.db2.gz VKUSDNJRLLLXKM-UHFFFAOYSA-N 1 1 361.467 3.009 20 5 FGBDMO CCc1ccc(CNC(=O)C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)s1 ZINC000549154219 504705158 /nfs/dbraw/zinc/70/51/58/504705158.db2.gz VKUSDNJRLLLXKM-UHFFFAOYSA-N 1 1 361.467 3.009 20 5 FGBDMO Cn1cccc1[C@@H]1CCC[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000532625492 504715112 /nfs/dbraw/zinc/71/51/12/504715112.db2.gz YUFKHDMSYGBEJY-INIZCTEOSA-N 1 1 370.409 3.068 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000536427535 504731340 /nfs/dbraw/zinc/73/13/40/504731340.db2.gz VLOKCBCBCBHJED-QGZVFWFLSA-N 1 1 363.364 3.262 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000536427535 504731347 /nfs/dbraw/zinc/73/13/47/504731347.db2.gz VLOKCBCBCBHJED-QGZVFWFLSA-N 1 1 363.364 3.262 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000532699403 504739818 /nfs/dbraw/zinc/73/98/18/504739818.db2.gz MGXHBNXADHYESC-TWMKSMIVSA-N 1 1 374.485 3.259 20 5 FGBDMO Cc1cc(Cc2noc(Cn3c[nH+]c4c3CCCC4)n2)ccc1[N+](=O)[O-] ZINC000521509297 504750379 /nfs/dbraw/zinc/75/03/79/504750379.db2.gz WUBBGXAKLXBGOJ-UHFFFAOYSA-N 1 1 353.382 3.001 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H](Cc3ccccc3)C2)c1 ZINC000521588795 504761354 /nfs/dbraw/zinc/76/13/54/504761354.db2.gz KCUMFBBBPXYXHU-QUCCMNQESA-N 1 1 370.449 3.289 20 5 FGBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000555986977 504776715 /nfs/dbraw/zinc/77/67/15/504776715.db2.gz FFJXHRHQAZYYGJ-HNNXBMFYSA-N 1 1 363.461 3.141 20 5 FGBDMO O=C(NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)c1ccc([N+](=O)[O-])o1 ZINC000552874047 504779632 /nfs/dbraw/zinc/77/96/32/504779632.db2.gz DZWYZUFSRQXKPP-AWEZNQCLSA-N 1 1 355.350 3.042 20 5 FGBDMO CC(=O)N[C@@H](C)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000559156064 504793952 /nfs/dbraw/zinc/79/39/52/504793952.db2.gz YZQXGKDCVXAUHA-NSHDSACASA-N 1 1 373.375 3.350 20 5 FGBDMO CC1(C)C[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@H]2CCC[C@@H]21 ZINC000559432751 504862897 /nfs/dbraw/zinc/86/28/97/504862897.db2.gz VYFYAMPFKMCJRO-GJZGRUSLSA-N 1 1 359.426 3.403 20 5 FGBDMO CCCC[N@@H+](C)C[C@H](C)Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000565367594 504866884 /nfs/dbraw/zinc/86/68/84/504866884.db2.gz GXJTUTLSIPEFJR-AWEZNQCLSA-N 1 1 373.457 3.092 20 5 FGBDMO Cc1ccccc1C[C@@H](C)[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000562585619 504868715 /nfs/dbraw/zinc/86/87/15/504868715.db2.gz SYHPJMZCWFNFSK-AEFFLSMTSA-N 1 1 358.438 3.206 20 5 FGBDMO Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000565737233 504973480 /nfs/dbraw/zinc/97/34/80/504973480.db2.gz KNXWTPRAJGZUCK-KXBFYZLASA-N 1 1 353.422 3.296 20 5 FGBDMO CN(c1ccccc1)c1ccc(C[N@H+](C)[C@H]2CCN(C)C2=O)cc1[N+](=O)[O-] ZINC000556892330 505009021 /nfs/dbraw/zinc/00/90/21/505009021.db2.gz SHARCHUUTSZUPE-SFHVURJKSA-N 1 1 368.437 3.025 20 5 FGBDMO CN(c1ccccc1)c1ccc(C[N@@H+](C)[C@H]2CCN(C)C2=O)cc1[N+](=O)[O-] ZINC000556892330 505009023 /nfs/dbraw/zinc/00/90/23/505009023.db2.gz SHARCHUUTSZUPE-SFHVURJKSA-N 1 1 368.437 3.025 20 5 FGBDMO C[C@@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000565867331 505010399 /nfs/dbraw/zinc/01/03/99/505010399.db2.gz BDFCXMYAVLMEFZ-UXLLHSPISA-N 1 1 359.470 3.468 20 5 FGBDMO C[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000560804449 505189549 /nfs/dbraw/zinc/18/95/49/505189549.db2.gz CGXTWYCDXIXPEA-OAHLLOKOSA-N 1 1 359.426 3.272 20 5 FGBDMO Cc1ccccc1[C@H](CO)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000566557657 505205238 /nfs/dbraw/zinc/20/52/38/505205238.db2.gz CAZDTOURYMYRML-HNNXBMFYSA-N 1 1 365.227 3.489 20 5 FGBDMO Cc1ccnc(N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1[N+](=O)[O-] ZINC000557736095 505217260 /nfs/dbraw/zinc/21/72/60/505217260.db2.gz HZHZXFSNDODJPB-HXUWFJFHSA-N 1 1 352.438 3.401 20 5 FGBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000557745230 505219837 /nfs/dbraw/zinc/21/98/37/505219837.db2.gz NJZJYJSWVYNSQR-ZFWWWQNUSA-N 1 1 351.472 3.066 20 5 FGBDMO COc1cc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc(OC)c1O ZINC000563778211 505235414 /nfs/dbraw/zinc/23/54/14/505235414.db2.gz QFMJDSRPKREGHO-UHFFFAOYSA-N 1 1 358.394 3.482 20 5 FGBDMO COc1cc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc(OC)c1O ZINC000563778211 505235418 /nfs/dbraw/zinc/23/54/18/505235418.db2.gz QFMJDSRPKREGHO-UHFFFAOYSA-N 1 1 358.394 3.482 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]C[C@@H](CO)CC1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000552055853 505383891 /nfs/dbraw/zinc/38/38/91/505383891.db2.gz FMISBZFYYBWOQF-QFBILLFUSA-N 1 1 372.469 3.196 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]C[C@H](CO)CC1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000552055851 505383983 /nfs/dbraw/zinc/38/39/83/505383983.db2.gz FMISBZFYYBWOQF-APWZRJJASA-N 1 1 372.469 3.196 20 5 FGBDMO COc1cc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cc2c1OCCO2 ZINC000555340226 505412755 /nfs/dbraw/zinc/41/27/55/505412755.db2.gz UGIAYFQCEUINJI-UHFFFAOYSA-N 1 1 358.394 3.049 20 5 FGBDMO COc1c(C(=O)NCC[N@@H+]2CC=C(C(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000552162776 505419767 /nfs/dbraw/zinc/41/97/67/505419767.db2.gz HFXJOYLPDGJVCY-UHFFFAOYSA-N 1 1 361.442 3.011 20 5 FGBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000558601235 505435232 /nfs/dbraw/zinc/43/52/32/505435232.db2.gz CTCFGJMEPKAZDM-HUUCEWRRSA-N 1 1 350.463 3.384 20 5 FGBDMO C[C@@H]1C[C@H](CC[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000552283432 505450218 /nfs/dbraw/zinc/45/02/18/505450218.db2.gz CYSVNECQLPLZOV-IIDMSEBBSA-N 1 1 358.442 3.213 20 5 FGBDMO Cc1c(CC(=O)N(C)CCC[N@@H+](C)Cc2ccco2)cccc1[N+](=O)[O-] ZINC000552403793 505483319 /nfs/dbraw/zinc/48/33/19/505483319.db2.gz VYECPFTUFUKSLM-UHFFFAOYSA-N 1 1 359.426 3.019 20 5 FGBDMO COC(=O)Cc1ccc(N[C@@H]2CC[N@H+](C3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000596478036 506427214 /nfs/dbraw/zinc/42/72/14/506427214.db2.gz DMPDNDZUJUHMSI-OAHLLOKOSA-N 1 1 361.442 3.129 20 5 FGBDMO O=[N+]([O-])c1cnccc1N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000612101798 506433986 /nfs/dbraw/zinc/43/39/86/506433986.db2.gz OJJAATTTWGDXID-OKZBNKHCSA-N 1 1 352.438 3.124 20 5 FGBDMO Cc1nn(C)c(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1[N+](=O)[O-] ZINC000596527650 506447424 /nfs/dbraw/zinc/44/74/24/506447424.db2.gz WAEZAXYBKWUDOY-QGZVFWFLSA-N 1 1 369.469 3.351 20 5 FGBDMO O=[N+]([O-])c1cccc(F)c1Cn1cc(C[NH2+][C@H]2CCc3ccccc32)nn1 ZINC000603203926 506456335 /nfs/dbraw/zinc/45/63/35/506456335.db2.gz RVGAIQKGJXYPIA-SFHVURJKSA-N 1 1 367.384 3.151 20 5 FGBDMO C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593225078 506479885 /nfs/dbraw/zinc/47/98/85/506479885.db2.gz BDXKVRVUCZDZKW-HRCADAONSA-N 1 1 368.437 3.113 20 5 FGBDMO O=[N+]([O-])c1ccccc1OCC[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000599625373 506536773 /nfs/dbraw/zinc/53/67/73/506536773.db2.gz JNDDKBQYOOIEGU-UHFFFAOYSA-N 1 1 366.421 3.277 20 5 FGBDMO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000593319903 506537438 /nfs/dbraw/zinc/53/74/38/506537438.db2.gz FYBCUMZSXMOLMR-COXVUDFISA-N 1 1 353.850 3.109 20 5 FGBDMO C[C@@H](C(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000593324572 506541839 /nfs/dbraw/zinc/54/18/39/506541839.db2.gz XJEBPODMNQTEAG-OXQOHEQNSA-N 1 1 367.449 3.084 20 5 FGBDMO C[C@@H](C(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000593324572 506541848 /nfs/dbraw/zinc/54/18/48/506541848.db2.gz XJEBPODMNQTEAG-OXQOHEQNSA-N 1 1 367.449 3.084 20 5 FGBDMO CCOc1cc(C[N@H+]2CC[C@H](C(=O)OC)[C@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000599655993 506557345 /nfs/dbraw/zinc/55/73/45/506557345.db2.gz SBPBWFLLBKVYMU-PMPSAXMXSA-N 1 1 362.426 3.157 20 5 FGBDMO CCOc1cc(C[N@H+]2CC[C@H](C(=O)OC)[C@@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000599655991 506558210 /nfs/dbraw/zinc/55/82/10/506558210.db2.gz SBPBWFLLBKVYMU-JYJNAYRXSA-N 1 1 362.426 3.157 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCCN(c3ccccc3)CC2)c1 ZINC000589497187 506568161 /nfs/dbraw/zinc/56/81/61/506568161.db2.gz GHFOVQGMQJHIFO-UHFFFAOYSA-N 1 1 369.421 3.094 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000589510766 506574079 /nfs/dbraw/zinc/57/40/79/506574079.db2.gz NZEFOGARDAPSSK-HXUWFJFHSA-N 1 1 368.389 3.013 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000589510766 506574082 /nfs/dbraw/zinc/57/40/82/506574082.db2.gz NZEFOGARDAPSSK-HXUWFJFHSA-N 1 1 368.389 3.013 20 5 FGBDMO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000593394048 506595827 /nfs/dbraw/zinc/59/58/27/506595827.db2.gz JNHGSTIWGOLPNA-UHFFFAOYSA-N 1 1 371.412 3.011 20 5 FGBDMO Cc1cc(NC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000603837420 506628664 /nfs/dbraw/zinc/62/86/64/506628664.db2.gz GRMZZMGKAOOHOL-GOSISDBHSA-N 1 1 354.410 3.424 20 5 FGBDMO Cc1cc(NC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000603837420 506628669 /nfs/dbraw/zinc/62/86/69/506628669.db2.gz GRMZZMGKAOOHOL-GOSISDBHSA-N 1 1 354.410 3.424 20 5 FGBDMO C[C@@H]1C[N@H+](Cc2ccc(CNc3cccnc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000603852253 506635346 /nfs/dbraw/zinc/63/53/46/506635346.db2.gz XAMMFIKXFVDHDP-GASCZTMLSA-N 1 1 356.426 3.211 20 5 FGBDMO Cc1[nH+]ccn1CCCCNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599830554 506663197 /nfs/dbraw/zinc/66/31/97/506663197.db2.gz UJQPXSFKVWMCFN-UHFFFAOYSA-N 1 1 368.397 3.250 20 5 FGBDMO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC[N@H+]1C ZINC000599830367 506664019 /nfs/dbraw/zinc/66/40/19/506664019.db2.gz RLRBKORRLWODFS-QWHCGFSZSA-N 1 1 357.414 3.089 20 5 FGBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597096587 506772339 /nfs/dbraw/zinc/77/23/39/506772339.db2.gz BAZIQNHQUMXXDG-NSHDSACASA-N 1 1 369.853 3.026 20 5 FGBDMO COC[C@H](C)Oc1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000597117732 506784377 /nfs/dbraw/zinc/78/43/77/506784377.db2.gz RKBHVSDTHHUHIX-ZDUSSCGKSA-N 1 1 370.409 3.175 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCc3ccc(O)cc3CC2)cccc1[N+](=O)[O-] ZINC000609133299 506786501 /nfs/dbraw/zinc/78/65/01/506786501.db2.gz HOKBHKIQVKYZCA-CQSZACIVSA-N 1 1 369.421 3.037 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCc3ccc(O)cc3CC2)cccc1[N+](=O)[O-] ZINC000609133299 506786507 /nfs/dbraw/zinc/78/65/07/506786507.db2.gz HOKBHKIQVKYZCA-CQSZACIVSA-N 1 1 369.421 3.037 20 5 FGBDMO COc1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(OC)c1 ZINC000604413060 506824386 /nfs/dbraw/zinc/82/43/86/506824386.db2.gz WKXUHNZBXNQWFY-ZDUSSCGKSA-N 1 1 373.409 3.071 20 5 FGBDMO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(OC)c1 ZINC000604413060 506824391 /nfs/dbraw/zinc/82/43/91/506824391.db2.gz WKXUHNZBXNQWFY-ZDUSSCGKSA-N 1 1 373.409 3.071 20 5 FGBDMO CC(C)[C@H](O)[C@H]([NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1 ZINC000597222985 506843465 /nfs/dbraw/zinc/84/34/65/506843465.db2.gz RGBQULBZWHDPBO-UXHICEINSA-N 1 1 372.421 3.214 20 5 FGBDMO O=[N+]([O-])c1cc(F)cc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000583593044 506865433 /nfs/dbraw/zinc/86/54/33/506865433.db2.gz IVMZMIDJYNRTCN-LJQANCHMSA-N 1 1 360.385 3.404 20 5 FGBDMO Cc1ccnc([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000594007756 506878502 /nfs/dbraw/zinc/87/85/02/506878502.db2.gz GUSPXPBHRLSRMS-CVEARBPZSA-N 1 1 368.437 3.423 20 5 FGBDMO Cc1ccnc([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000594007756 506878511 /nfs/dbraw/zinc/87/85/11/506878511.db2.gz GUSPXPBHRLSRMS-CVEARBPZSA-N 1 1 368.437 3.423 20 5 FGBDMO O=C(NCc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000609451712 506886381 /nfs/dbraw/zinc/88/63/81/506886381.db2.gz PZTBBVXIRSXVCV-SFHVURJKSA-N 1 1 374.485 3.439 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)c1 ZINC000609475496 506892701 /nfs/dbraw/zinc/89/27/01/506892701.db2.gz OZFWTWSXGHANLM-UHFFFAOYSA-N 1 1 366.377 3.144 20 5 FGBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000609489170 506898237 /nfs/dbraw/zinc/89/82/37/506898237.db2.gz AGHXWINNPHLHEA-DZGCQCFKSA-N 1 1 351.472 3.066 20 5 FGBDMO C[C@@H](c1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1)[NH+]1CCOCC1 ZINC000609518852 506906906 /nfs/dbraw/zinc/90/69/06/506906906.db2.gz RJKJGIVDXFACEK-ZDUSSCGKSA-N 1 1 373.384 3.379 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000609540025 506915079 /nfs/dbraw/zinc/91/50/79/506915079.db2.gz PAADXHHDKBWPSS-OLZOCXBDSA-N 1 1 359.382 3.013 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](c2ccco2)C1 ZINC000609540025 506915083 /nfs/dbraw/zinc/91/50/83/506915083.db2.gz PAADXHHDKBWPSS-OLZOCXBDSA-N 1 1 359.382 3.013 20 5 FGBDMO CNc1ccc(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cc1[N+](=O)[O-] ZINC000609610303 506943989 /nfs/dbraw/zinc/94/39/89/506943989.db2.gz VNHFMXOJJQYVTB-HZPDHXFCSA-N 1 1 374.485 3.363 20 5 FGBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000600469445 506961850 /nfs/dbraw/zinc/96/18/50/506961850.db2.gz BDKWMRXWZMXHFF-CYBMUJFWSA-N 1 1 371.359 3.360 20 5 FGBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000594198645 507002643 /nfs/dbraw/zinc/00/26/43/507002643.db2.gz UDQDEAZXECPPIM-STQMWFEESA-N 1 1 371.359 3.360 20 5 FGBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000610061862 507086526 /nfs/dbraw/zinc/08/65/26/507086526.db2.gz NABPMLKHZXKKOB-UHFFFAOYSA-N 1 1 361.486 3.451 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000597854600 507136036 /nfs/dbraw/zinc/13/60/36/507136036.db2.gz JLHWQKDRNBAVER-HNNXBMFYSA-N 1 1 374.485 3.045 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000597859667 507138085 /nfs/dbraw/zinc/13/80/85/507138085.db2.gz XKEPAFYNMYWPFP-GXTWGEPZSA-N 1 1 351.472 3.064 20 5 FGBDMO COc1ccc2c(c1)CCC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C2 ZINC000610368670 507217642 /nfs/dbraw/zinc/21/76/42/507217642.db2.gz WRQITOMWAKSSBO-UHFFFAOYSA-N 1 1 372.421 3.439 20 5 FGBDMO C[C@H](c1ccc(NC(=O)c2c(F)cccc2[N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000601040583 507238352 /nfs/dbraw/zinc/23/83/52/507238352.db2.gz SHPMNOAQNRQOFC-CYBMUJFWSA-N 1 1 373.384 3.379 20 5 FGBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000610445666 507241112 /nfs/dbraw/zinc/24/11/12/507241112.db2.gz BOJSUHGRNXDOII-QGZVFWFLSA-N 1 1 367.449 3.260 20 5 FGBDMO CC(C)C(=O)NC[C@@H]1CCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601111909 507264372 /nfs/dbraw/zinc/26/43/72/507264372.db2.gz ZYAAOBYXBAEUPN-AWEZNQCLSA-N 1 1 356.426 3.132 20 5 FGBDMO CC1(C)C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000610505208 507269423 /nfs/dbraw/zinc/26/94/23/507269423.db2.gz CHQRSXSMBHGFQM-IEBWSBKVSA-N 1 1 356.422 3.418 20 5 FGBDMO COc1cc(C[NH2+][C@@H](C)CN(C)C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000584362180 507304051 /nfs/dbraw/zinc/30/40/51/507304051.db2.gz PRLUZDIRFSIUSD-HNNXBMFYSA-N 1 1 373.453 3.222 20 5 FGBDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000598195364 507307823 /nfs/dbraw/zinc/30/78/23/507307823.db2.gz MBBIHWFGHWBIMG-QGZVFWFLSA-N 1 1 371.412 3.123 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000610595646 507311488 /nfs/dbraw/zinc/31/14/88/507311488.db2.gz GERWSJHMQSIAEN-GOEBONIOSA-N 1 1 360.458 3.280 20 5 FGBDMO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2ccnn2-c2ccncc2)cc1 ZINC000594930656 507319239 /nfs/dbraw/zinc/31/92/39/507319239.db2.gz YNXFYJRAEKROMH-UHFFFAOYSA-N 1 1 351.410 3.288 20 5 FGBDMO Cc1c([C@@H](C)[NH2+]Cc2c(Br)cnn2C)cccc1[N+](=O)[O-] ZINC000601291925 507324846 /nfs/dbraw/zinc/32/48/46/507324846.db2.gz KCXHSIQADAACIW-SNVBAGLBSA-N 1 1 353.220 3.250 20 5 FGBDMO CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595010503 507352177 /nfs/dbraw/zinc/35/21/77/507352177.db2.gz WZWPQISXZGHZLO-HNNXBMFYSA-N 1 1 371.437 3.303 20 5 FGBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000595078722 507382398 /nfs/dbraw/zinc/38/23/98/507382398.db2.gz AJGRLIYDGNEQPJ-WBVHZDCISA-N 1 1 374.485 3.309 20 5 FGBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000595078722 507382402 /nfs/dbraw/zinc/38/24/02/507382402.db2.gz AJGRLIYDGNEQPJ-WBVHZDCISA-N 1 1 374.485 3.309 20 5 FGBDMO COc1cc(CCNc2[nH+]cnc3[nH]c(C)c(C)c32)c([N+](=O)[O-])cc1OC ZINC000591890712 507398820 /nfs/dbraw/zinc/39/88/20/507398820.db2.gz FDUKOZTZAIVRNS-UHFFFAOYSA-N 1 1 371.397 3.155 20 5 FGBDMO CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000610846083 507411536 /nfs/dbraw/zinc/41/15/36/507411536.db2.gz JPZDLKCVXNVGGD-IRXDYDNUSA-N 1 1 364.442 3.487 20 5 FGBDMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595293723 507450654 /nfs/dbraw/zinc/45/06/54/507450654.db2.gz FLAUVPINXWKZTR-DZGCQCFKSA-N 1 1 351.422 3.251 20 5 FGBDMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595298307 507452536 /nfs/dbraw/zinc/45/25/36/507452536.db2.gz QDGWBHLJNBCMKY-UKRRQHHQSA-N 1 1 351.422 3.251 20 5 FGBDMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595298307 507452542 /nfs/dbraw/zinc/45/25/42/507452542.db2.gz QDGWBHLJNBCMKY-UKRRQHHQSA-N 1 1 351.422 3.251 20 5 FGBDMO CSc1ccc(C(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000598560933 507487829 /nfs/dbraw/zinc/48/78/29/507487829.db2.gz OUECTCIRCILYTN-CQSZACIVSA-N 1 1 363.483 3.169 20 5 FGBDMO Cc1noc(CN2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)c1[N+](=O)[O-] ZINC000595422798 507490007 /nfs/dbraw/zinc/49/00/07/507490007.db2.gz ONYYNLUOARQWMR-CQSZACIVSA-N 1 1 374.445 3.437 20 5 FGBDMO Cc1noc(C[N@@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)c1[N+](=O)[O-] ZINC000595422798 507490012 /nfs/dbraw/zinc/49/00/12/507490012.db2.gz ONYYNLUOARQWMR-CQSZACIVSA-N 1 1 374.445 3.437 20 5 FGBDMO Cc1noc(C[N@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)c1[N+](=O)[O-] ZINC000595422798 507490019 /nfs/dbraw/zinc/49/00/19/507490019.db2.gz ONYYNLUOARQWMR-CQSZACIVSA-N 1 1 374.445 3.437 20 5 FGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C(=O)NCc2ccccc2)C1 ZINC000592153933 507510949 /nfs/dbraw/zinc/51/09/49/507510949.db2.gz DMTWUIDSHHGUJQ-CRAIPNDOSA-N 1 1 353.422 3.294 20 5 FGBDMO C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000595481013 507523026 /nfs/dbraw/zinc/52/30/26/507523026.db2.gz MWHSGCIOKDRUEO-HOCLYGCPSA-N 1 1 360.458 3.077 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC3(C[C@@H]2C)CCOCC3)cccc1[N+](=O)[O-] ZINC000592184009 507526982 /nfs/dbraw/zinc/52/69/82/507526982.db2.gz NOZOMEBJVGJEOI-DZGCQCFKSA-N 1 1 361.442 3.121 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CCC[N@@H+](C[C@H]3CCCO3)CC2)cc1C(F)(F)F ZINC000611132631 507528410 /nfs/dbraw/zinc/52/84/10/507528410.db2.gz QHGHYNIROBOWGH-CQSZACIVSA-N 1 1 373.375 3.305 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(c2cccnc2)CC1 ZINC000611258892 507585265 /nfs/dbraw/zinc/58/52/65/507585265.db2.gz ZLDHNEPPQKNZEZ-UHFFFAOYSA-N 1 1 354.410 3.116 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC(c4cccnc4)CC3)n2)cc1 ZINC000611258522 507585394 /nfs/dbraw/zinc/58/53/94/507585394.db2.gz WAIUMAXBZGQXSO-UHFFFAOYSA-N 1 1 365.393 3.419 20 5 FGBDMO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000595628700 507602725 /nfs/dbraw/zinc/60/27/25/507602725.db2.gz SHGYODDHWXPCII-UHTWSYAYSA-N 1 1 360.332 3.329 20 5 FGBDMO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000595628700 507602732 /nfs/dbraw/zinc/60/27/32/507602732.db2.gz SHGYODDHWXPCII-UHTWSYAYSA-N 1 1 360.332 3.329 20 5 FGBDMO C[C@@H]1CC[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC12CCC2 ZINC000611303421 507613146 /nfs/dbraw/zinc/61/31/46/507613146.db2.gz KEICWIPMOPKBFE-CQSZACIVSA-N 1 1 359.426 3.405 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCc2ccc(C)cc2C1 ZINC000595658282 507618182 /nfs/dbraw/zinc/61/81/82/507618182.db2.gz RJRHLOOBCNJNPE-UHFFFAOYSA-N 1 1 369.421 3.299 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000595665536 507618809 /nfs/dbraw/zinc/61/88/09/507618809.db2.gz VOOPATNYWVCZIZ-WMZOPIPTSA-N 1 1 374.485 3.357 20 5 FGBDMO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000611319722 507619350 /nfs/dbraw/zinc/61/93/50/507619350.db2.gz HQZZMCPFIBRTAE-AWEZNQCLSA-N 1 1 350.415 3.015 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]12 ZINC000595728112 507650540 /nfs/dbraw/zinc/65/05/40/507650540.db2.gz JETQJCSOODIBEF-ARFHVFGLSA-N 1 1 350.390 3.288 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H]2CCCC[C@H]12 ZINC000595736589 507656171 /nfs/dbraw/zinc/65/61/71/507656171.db2.gz NBHNYDAAIRCBLF-BFYDXBDKSA-N 1 1 350.390 3.288 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000595741793 507659614 /nfs/dbraw/zinc/65/96/14/507659614.db2.gz ZJQFWUYOCTVCFA-OAGGEKHMSA-N 1 1 362.426 3.027 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CCF)C1 ZINC000595755731 507669431 /nfs/dbraw/zinc/66/94/31/507669431.db2.gz OZAPBUPTVNXMIK-STQMWFEESA-N 1 1 353.394 3.002 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CCF)C1 ZINC000595755731 507669434 /nfs/dbraw/zinc/66/94/34/507669434.db2.gz OZAPBUPTVNXMIK-STQMWFEESA-N 1 1 353.394 3.002 20 5 FGBDMO COc1ccc2c(c1)CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C2 ZINC000595759186 507672276 /nfs/dbraw/zinc/67/22/76/507672276.db2.gz JEYAXTJPJIMHLB-UHFFFAOYSA-N 1 1 369.421 3.299 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC([C@@H]4CCCCO4)CC3)n2)cc1 ZINC000595781633 507682251 /nfs/dbraw/zinc/68/22/51/507682251.db2.gz FADIYHUAVGQFLH-KRWDZBQOSA-N 1 1 372.425 3.426 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000595784874 507683254 /nfs/dbraw/zinc/68/32/54/507683254.db2.gz CEBPJIJCPOPBKB-GOSISDBHSA-N 1 1 361.442 3.123 20 5 FGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595788308 507685180 /nfs/dbraw/zinc/68/51/80/507685180.db2.gz ISXFLHQMRDTLJL-RVKKMQEKSA-N 1 1 361.442 3.203 20 5 FGBDMO O=C(CC[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595788859 507685356 /nfs/dbraw/zinc/68/53/56/507685356.db2.gz KBQGSZCYAUNFJS-CRAIPNDOSA-N 1 1 361.442 3.205 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CC3(CC=CC3)[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000592525995 507696190 /nfs/dbraw/zinc/69/61/90/507696190.db2.gz DRZLWTZVDBFACD-LJQANCHMSA-N 1 1 374.437 3.323 20 5 FGBDMO Cc1csc(CC[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000611560366 507739501 /nfs/dbraw/zinc/73/95/01/507739501.db2.gz ZPMYRUMJUBGAAK-INIZCTEOSA-N 1 1 357.439 3.015 20 5 FGBDMO C[NH+](C)[C@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])c1ccccc1Cl ZINC000068975266 695946288 /nfs/dbraw/zinc/94/62/88/695946288.db2.gz CFBLICLUAVIFGV-MRXNPFEDSA-N 1 1 365.792 3.420 20 5 FGBDMO Cc1cc(F)cc(C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000124403660 700719633 /nfs/dbraw/zinc/71/96/33/700719633.db2.gz WAULSPUHYWYFPY-CQSZACIVSA-N 1 1 351.422 3.140 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCS[C@H]4CCCC[C@H]43)n2)cc1 ZINC000245865824 713612867 /nfs/dbraw/zinc/61/28/67/713612867.db2.gz DVCJBEKVZCCGFK-CVEARBPZSA-N 1 1 359.455 3.171 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CCS[C@H]4CCCC[C@H]43)n2)cc1 ZINC000245865824 713612869 /nfs/dbraw/zinc/61/28/69/713612869.db2.gz DVCJBEKVZCCGFK-CVEARBPZSA-N 1 1 359.455 3.171 20 5 FGBDMO O=[N+]([O-])c1cn(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)nc1-c1ccncc1 ZINC000245890793 713613182 /nfs/dbraw/zinc/61/31/82/713613182.db2.gz NYKQPKKNYQRMTG-GDBMZVCRSA-N 1 1 359.455 3.171 20 5 FGBDMO O=[N+]([O-])c1cn(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)nc1-c1ccncc1 ZINC000245890793 713613183 /nfs/dbraw/zinc/61/31/83/713613183.db2.gz NYKQPKKNYQRMTG-GDBMZVCRSA-N 1 1 359.455 3.171 20 5 FGBDMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1Cl ZINC000384532550 713982132 /nfs/dbraw/zinc/98/21/32/713982132.db2.gz QKOPQIOWPBNFCC-CQSZACIVSA-N 1 1 359.813 3.253 20 5 FGBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000457104800 714064726 /nfs/dbraw/zinc/06/47/26/714064726.db2.gz BVVFXHGDRFVQLC-LBPRGKRZSA-N 1 1 359.348 3.168 20 5 FGBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000579656834 714495149 /nfs/dbraw/zinc/49/51/49/714495149.db2.gz COOHEISLOKSDQD-LLVKDONJSA-N 1 1 359.373 3.046 20 5 FGBDMO CC[N@H+]1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C[C@H]1C ZINC000618588307 714759642 /nfs/dbraw/zinc/75/96/42/714759642.db2.gz XKQXISCEGTZZLP-SECBINFHSA-N 1 1 368.306 3.174 20 5 FGBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756950945 722972296 /nfs/dbraw/zinc/97/22/96/722972296.db2.gz IHOBXBXFSZRAIN-CHWSQXEVSA-N 1 1 368.865 3.168 20 5 FGBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756950948 722972299 /nfs/dbraw/zinc/97/22/99/722972299.db2.gz IHOBXBXFSZRAIN-STQMWFEESA-N 1 1 368.865 3.168 20 5 FGBDMO COCC[N@H+]1CCC[C@H]1CNc1ccc(C)c(Br)c1[N+](=O)[O-] ZINC000804426498 724516130 /nfs/dbraw/zinc/51/61/30/724516130.db2.gz ARTARUJIDJOHJL-LBPRGKRZSA-N 1 1 372.263 3.188 20 5 FGBDMO O=[N+]([O-])c1cc(F)cnc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164629138 719064984 /nfs/dbraw/zinc/06/49/84/719064984.db2.gz VXOVIUOAVXPNBO-MAUKXSAKSA-N 1 1 356.401 3.230 20 5 FGBDMO O=[N+]([O-])c1cnc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c(F)c1 ZINC001164623699 719071933 /nfs/dbraw/zinc/07/19/33/719071933.db2.gz KONKKXIRIZYBTG-QAPCUYQASA-N 1 1 356.401 3.230 20 5 FGBDMO CCOC(=O)N(C)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000783556894 724765229 /nfs/dbraw/zinc/76/52/29/724765229.db2.gz KQSLERXPZIBAKN-UHFFFAOYSA-N 1 1 355.822 3.301 20 5 FGBDMO O=[N+]([O-])c1cccc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164995054 722195120 /nfs/dbraw/zinc/19/51/20/722195120.db2.gz RPGIKNSRKVDZEZ-IBGZPJMESA-N 1 1 356.401 3.374 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000727103554 722441374 /nfs/dbraw/zinc/44/13/74/722441374.db2.gz GKSVEXJKQYTFQF-BETUJISGSA-N 1 1 351.422 3.220 20 5 FGBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000732135266 722481654 /nfs/dbraw/zinc/48/16/54/722481654.db2.gz GDWVFGPQPMMYQZ-CYBMUJFWSA-N 1 1 351.422 3.364 20 5 FGBDMO O=C([C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000746669395 722613521 /nfs/dbraw/zinc/61/35/21/722613521.db2.gz CGGZSZWXTATEFR-CYBMUJFWSA-N 1 1 351.834 3.083 20 5 FGBDMO O=C([C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000746669395 722613522 /nfs/dbraw/zinc/61/35/22/722613522.db2.gz CGGZSZWXTATEFR-CYBMUJFWSA-N 1 1 351.834 3.083 20 5 FGBDMO C[N@@H+](CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000748805432 722705402 /nfs/dbraw/zinc/70/54/02/722705402.db2.gz AYORBJAJJSFSAU-UHFFFAOYSA-N 1 1 365.792 3.249 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCS[C@@H]4CCCC[C@H]43)n2)c1 ZINC000753104988 722885436 /nfs/dbraw/zinc/88/54/36/722885436.db2.gz JWUPCNCQNCIIIW-HZPDHXFCSA-N 1 1 359.455 3.171 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CCS[C@@H]4CCCC[C@H]43)n2)c1 ZINC000753104988 722885438 /nfs/dbraw/zinc/88/54/38/722885438.db2.gz JWUPCNCQNCIIIW-HZPDHXFCSA-N 1 1 359.455 3.171 20 5 FGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000757260704 722975622 /nfs/dbraw/zinc/97/56/22/722975622.db2.gz HEQUJYOTUXREBQ-HIFRSBDPSA-N 1 1 366.849 3.016 20 5 FGBDMO Cc1[nH+]ccn1CCCCOC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790741760 723172061 /nfs/dbraw/zinc/17/20/61/723172061.db2.gz QDSKFLIHCMZKQT-UHFFFAOYSA-N 1 1 369.780 3.458 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCCCC[C@@H]2CCO)ccc1Br ZINC000792927727 723383473 /nfs/dbraw/zinc/38/34/73/723383473.db2.gz QZVOCBUKUKWVCD-CYBMUJFWSA-N 1 1 357.248 3.484 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCCCC[C@@H]2CCO)ccc1Br ZINC000792927727 723383481 /nfs/dbraw/zinc/38/34/81/723383481.db2.gz QZVOCBUKUKWVCD-CYBMUJFWSA-N 1 1 357.248 3.484 20 5 FGBDMO COC(=O)c1cc([N+](=O)[O-])c(NC[C@H]2CC[N@H+](C(C)C)C2)cc1Cl ZINC000765488398 723517043 /nfs/dbraw/zinc/51/70/43/723517043.db2.gz KEGYRWPPLOBSIS-LLVKDONJSA-N 1 1 355.822 3.177 20 5 FGBDMO C[N@H+]1CCC[C@H]2CN(c3cc(Br)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000765545603 723522958 /nfs/dbraw/zinc/52/29/58/723522958.db2.gz MBNGMQXXXUFZRD-WCQYABFASA-N 1 1 354.248 3.278 20 5 FGBDMO COC(=O)C[C@H]1CCCC[N@@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000768993013 723673838 /nfs/dbraw/zinc/67/38/38/723673838.db2.gz UCZJFDTWWIYNEJ-LLVKDONJSA-N 1 1 371.231 3.275 20 5 FGBDMO COC(=O)C[C@H]1CCCC[N@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000768993013 723673839 /nfs/dbraw/zinc/67/38/39/723673839.db2.gz UCZJFDTWWIYNEJ-LLVKDONJSA-N 1 1 371.231 3.275 20 5 FGBDMO O=[N+]([O-])c1cc2cnn(C[N@@H+](C[C@H]3CCOC3)C3CC3)c2c(Cl)c1 ZINC000774633785 723912359 /nfs/dbraw/zinc/91/23/59/723912359.db2.gz CDPLYVAFVRZWKN-LLVKDONJSA-N 1 1 350.806 3.056 20 5 FGBDMO CCC[C@@]1(CO)CCC[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000775174911 723968435 /nfs/dbraw/zinc/96/84/35/723968435.db2.gz CJITYVMVVYCVKK-HNNXBMFYSA-N 1 1 357.248 3.484 20 5 FGBDMO CCC[C@@]1(CO)CCC[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000775174911 723968438 /nfs/dbraw/zinc/96/84/38/723968438.db2.gz CJITYVMVVYCVKK-HNNXBMFYSA-N 1 1 357.248 3.484 20 5 FGBDMO COc1ccc(Cl)cc1C[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776278538 724127492 /nfs/dbraw/zinc/12/74/92/724127492.db2.gz UFEJSEBAPGTRSU-INIZCTEOSA-N 1 1 350.802 3.422 20 5 FGBDMO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801516899 724309222 /nfs/dbraw/zinc/30/92/22/724309222.db2.gz HEBFQAYWTLDJGJ-AWEZNQCLSA-N 1 1 351.422 3.108 20 5 FGBDMO CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801516899 724309225 /nfs/dbraw/zinc/30/92/25/724309225.db2.gz HEBFQAYWTLDJGJ-AWEZNQCLSA-N 1 1 351.422 3.108 20 5 FGBDMO C[C@H](C[N@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1nccs1 ZINC000784586196 724865821 /nfs/dbraw/zinc/86/58/21/724865821.db2.gz UCIRNSYXYSRRIC-SNVBAGLBSA-N 1 1 368.846 3.379 20 5 FGBDMO C[C@H](C[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1nccs1 ZINC000784586196 724865826 /nfs/dbraw/zinc/86/58/26/724865826.db2.gz UCIRNSYXYSRRIC-SNVBAGLBSA-N 1 1 368.846 3.379 20 5 FGBDMO C[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)[N@H+]1CCC[C@@H](C)C1 ZINC000809919476 725276002 /nfs/dbraw/zinc/27/60/02/725276002.db2.gz KZJFLXOIAXIKAH-NEPJUHHUSA-N 1 1 354.838 3.490 20 5 FGBDMO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1=O ZINC000811481598 725368552 /nfs/dbraw/zinc/36/85/52/725368552.db2.gz GWUZXFZBUHUXHC-WLTAIBSBSA-N 1 1 358.225 3.001 20 5 FGBDMO O=C(CCCC(F)(F)F)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173116 726846233 /nfs/dbraw/zinc/84/62/33/726846233.db2.gz WJJAKEBXUOSNDQ-AWEZNQCLSA-N 1 1 360.332 3.445 20 5 FGBDMO O=C(CCCC(F)(F)F)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173116 726846237 /nfs/dbraw/zinc/84/62/37/726846237.db2.gz WJJAKEBXUOSNDQ-AWEZNQCLSA-N 1 1 360.332 3.445 20 5 FGBDMO C[C@@H]1C[C@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000813475781 726882569 /nfs/dbraw/zinc/88/25/69/726882569.db2.gz GKGFPXMNJUHICO-SCZZXKLOSA-N 1 1 358.225 3.257 20 5 FGBDMO C[C@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000824445713 729339160 /nfs/dbraw/zinc/33/91/60/729339160.db2.gz LHBNFTJMQORHHL-LBPRGKRZSA-N 1 1 368.275 3.273 20 5 FGBDMO CSc1cccc(C(=O)OCC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC000835599966 729904750 /nfs/dbraw/zinc/90/47/50/729904750.db2.gz IZFRHVMTFFTFAT-YHWZYXNKSA-N 1 1 350.440 3.346 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1Cl ZINC000836376643 729953621 /nfs/dbraw/zinc/95/36/21/729953621.db2.gz HNWOZVFFLDPLRE-AAEUAGOBSA-N 1 1 353.850 3.407 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1Cl 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ZINC000878400364 736824782 /nfs/dbraw/zinc/82/47/82/736824782.db2.gz AAHNIFWTUCQMRP-LBPRGKRZSA-N 1 1 366.805 3.299 20 5 FGBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000891625298 739922041 /nfs/dbraw/zinc/92/20/41/739922041.db2.gz OTDPCABPQZAEFW-IAGOWNOFSA-N 1 1 352.406 3.439 20 5 FGBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1 ZINC000895818589 742456879 /nfs/dbraw/zinc/45/68/79/742456879.db2.gz DUIJOGGMCRQQBF-QMMMGPOBSA-N 1 1 364.204 3.112 20 5 FGBDMO C[C@H](CNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)[N@@H+](C)C1CC1 ZINC000896137578 742500883 /nfs/dbraw/zinc/50/08/83/742500883.db2.gz GRZSZDXKJDLCDX-SSDOTTSWSA-N 1 1 364.204 3.253 20 5 FGBDMO COc1c(O)ccc(C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)c1[N+](=O)[O-] ZINC000896224375 742516430 /nfs/dbraw/zinc/51/64/30/742516430.db2.gz FQUOPXCYTUCCRB-CYBMUJFWSA-N 1 1 364.295 3.175 20 5 FGBDMO COc1c(O)ccc(C[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)c1[N+](=O)[O-] ZINC000896224375 742516435 /nfs/dbraw/zinc/51/64/35/742516435.db2.gz FQUOPXCYTUCCRB-CYBMUJFWSA-N 1 1 364.295 3.175 20 5 FGBDMO COc1c(O)ccc(C[N@H+]2CCC[C@@H](Cc3nccs3)C2)c1[N+](=O)[O-] ZINC000896527834 742562115 /nfs/dbraw/zinc/56/21/15/742562115.db2.gz HLWDPXXIGPVWDO-LBPRGKRZSA-N 1 1 363.439 3.220 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000900817077 743174689 /nfs/dbraw/zinc/17/46/89/743174689.db2.gz DNDZRFFEGBOHRQ-MFKMUULPSA-N 1 1 357.813 3.190 20 5 FGBDMO C[C@@H]1CN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+](C2CC2)C1 ZINC000908503022 744294360 /nfs/dbraw/zinc/29/43/60/744294360.db2.gz BIXXDLVDGIUQPY-ZDUSSCGKSA-N 1 1 365.861 3.124 20 5 FGBDMO C[C@@H](CNc1ccc([N+](=O)[O-])c2nonc21)[N@H+]1CCc2sccc2C1 ZINC000914863518 757852617 /nfs/dbraw/zinc/85/26/17/757852617.db2.gz OMAPGMKTVFXLIS-JTQLQIEISA-N 1 1 359.411 3.051 20 5 FGBDMO Cc1nc(CC2CC[NH+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)no1 ZINC000932238314 761101171 /nfs/dbraw/zinc/10/11/71/761101171.db2.gz NYAHVPXHOSPWFH-UHFFFAOYSA-N 1 1 350.806 3.394 20 5 FGBDMO O=C(C[NH2+][C@@H](c1ccccn1)C1CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000932376090 761152771 /nfs/dbraw/zinc/15/27/71/761152771.db2.gz GPFOVVMHGVSBSK-QGZVFWFLSA-N 1 1 360.801 3.323 20 5 FGBDMO O=[N+]([O-])c1cccc(C[NH+]2CCC(O)(C3CCC3)CC2)c1Br ZINC000932814337 761250768 /nfs/dbraw/zinc/25/07/68/761250768.db2.gz LMZJTOKZWIOZIZ-UHFFFAOYSA-N 1 1 369.259 3.484 20 5 FGBDMO Cc1noc(C[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)n1 ZINC000933563815 761427466 /nfs/dbraw/zinc/42/74/66/761427466.db2.gz GDYBOATXOROBIY-LBPRGKRZSA-N 1 1 350.806 3.394 20 5 FGBDMO Cc1noc(C[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)n1 ZINC000933563815 761427467 /nfs/dbraw/zinc/42/74/67/761427467.db2.gz GDYBOATXOROBIY-LBPRGKRZSA-N 1 1 350.806 3.394 20 5 FGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)c1 ZINC000933713402 761462167 /nfs/dbraw/zinc/46/21/67/761462167.db2.gz YKUWHELMFMUJTF-GFCCVEGCSA-N 1 1 352.316 3.393 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCCSC[C@H]2C2CC2)c2c(c1)COCO2 ZINC000933918691 761495915 /nfs/dbraw/zinc/49/59/15/761495915.db2.gz VKKYYZXPJKCMHU-INIZCTEOSA-N 1 1 350.440 3.179 20 5 FGBDMO Cc1c(NC(=O)CC[N@@H+]2CCO[C@@H](c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000029536854 493843191 /nfs/dbraw/zinc/84/31/91/493843191.db2.gz QNGBLAPPXIRBSV-LJQANCHMSA-N 1 1 369.421 3.305 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CCO[C@@H](c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000029536854 493843196 /nfs/dbraw/zinc/84/31/96/493843196.db2.gz QNGBLAPPXIRBSV-LJQANCHMSA-N 1 1 369.421 3.305 20 5 FGBDMO CC(C)[C@H](C)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000030148434 493877203 /nfs/dbraw/zinc/87/72/03/493877203.db2.gz XSNOVGJRBYXEDV-JTQLQIEISA-N 1 1 358.236 3.272 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050579595 493922010 /nfs/dbraw/zinc/92/20/10/493922010.db2.gz RFHAIBNORBWSML-CYBMUJFWSA-N 1 1 374.466 3.323 20 5 FGBDMO CN(C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000076711277 493955925 /nfs/dbraw/zinc/95/59/25/493955925.db2.gz YLMCEBHZEDPYGT-QGZVFWFLSA-N 1 1 353.422 3.470 20 5 FGBDMO Cc1cccc(C)c1NC(=O)C[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000051500510 493973587 /nfs/dbraw/zinc/97/35/87/493973587.db2.gz XCENTVQARBIKPH-UHFFFAOYSA-N 1 1 357.410 3.161 20 5 FGBDMO Cc1cccc(C)c1NC(=O)C[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000051500510 493973590 /nfs/dbraw/zinc/97/35/90/493973590.db2.gz XCENTVQARBIKPH-UHFFFAOYSA-N 1 1 357.410 3.161 20 5 FGBDMO O=C(C[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000076807457 493973799 /nfs/dbraw/zinc/97/37/99/493973799.db2.gz DUSRTZMERXARKP-HNNXBMFYSA-N 1 1 357.385 3.237 20 5 FGBDMO O=C(C[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000076807457 493973803 /nfs/dbraw/zinc/97/38/03/493973803.db2.gz DUSRTZMERXARKP-HNNXBMFYSA-N 1 1 357.385 3.237 20 5 FGBDMO CC[N@@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000051555134 493974924 /nfs/dbraw/zinc/97/49/24/493974924.db2.gz NZUFEXOEABIQFH-GFCCVEGCSA-N 1 1 360.357 3.206 20 5 FGBDMO CC[N@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000051555134 493974927 /nfs/dbraw/zinc/97/49/27/493974927.db2.gz NZUFEXOEABIQFH-GFCCVEGCSA-N 1 1 360.357 3.206 20 5 FGBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc2ccccc2c2cccnc12 ZINC000069504976 493977760 /nfs/dbraw/zinc/97/77/60/493977760.db2.gz UFGDTXPGSWDLKM-QGZVFWFLSA-N 1 1 363.461 3.229 20 5 FGBDMO Cc1cccc(C[NH+]2CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)c1 ZINC000083128509 493999139 /nfs/dbraw/zinc/99/91/39/493999139.db2.gz SXZACYBRXZJIKH-UHFFFAOYSA-N 1 1 366.421 3.362 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000083407678 494015289 /nfs/dbraw/zinc/01/52/89/494015289.db2.gz PLATWOUBMKZJLY-SFHVURJKSA-N 1 1 364.442 3.154 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)s1 ZINC000577259632 505696029 /nfs/dbraw/zinc/69/60/29/505696029.db2.gz JIHXTUZHBUCRIM-CYBMUJFWSA-N 1 1 371.422 3.481 20 5 FGBDMO O=C(C[N@@H+]1CCC[C@@H]1c1ccsc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000052803716 494063541 /nfs/dbraw/zinc/06/35/41/494063541.db2.gz CQNIEYRAZVMFHH-MRXNPFEDSA-N 1 1 357.435 3.383 20 5 FGBDMO O=C(C[N@H+]1CCC[C@@H]1c1ccsc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000052803716 494063543 /nfs/dbraw/zinc/06/35/43/494063543.db2.gz CQNIEYRAZVMFHH-MRXNPFEDSA-N 1 1 357.435 3.383 20 5 FGBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000064350199 494116275 /nfs/dbraw/zinc/11/62/75/494116275.db2.gz ITDYVJSVNIHQJC-UHFFFAOYSA-N 1 1 372.381 3.013 20 5 FGBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000064350199 494116277 /nfs/dbraw/zinc/11/62/77/494116277.db2.gz ITDYVJSVNIHQJC-UHFFFAOYSA-N 1 1 372.381 3.013 20 5 FGBDMO CC(C)[N@H+](CC(=O)NCCc1ccc(F)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350514 494116340 /nfs/dbraw/zinc/11/63/40/494116340.db2.gz AKUZOASIFSCXFP-UHFFFAOYSA-N 1 1 373.428 3.303 20 5 FGBDMO CC(C)[N@@H+](CC(=O)NCCc1ccc(F)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350514 494116342 /nfs/dbraw/zinc/11/63/42/494116342.db2.gz AKUZOASIFSCXFP-UHFFFAOYSA-N 1 1 373.428 3.303 20 5 FGBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000064381806 494118478 /nfs/dbraw/zinc/11/84/78/494118478.db2.gz KLFJBUJLDZPBOL-UHFFFAOYSA-N 1 1 365.499 3.266 20 5 FGBDMO C[N@@H+](CCNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000053582819 494150147 /nfs/dbraw/zinc/15/01/47/494150147.db2.gz NLHHOWFUJBGIPN-UHFFFAOYSA-N 1 1 368.437 3.031 20 5 FGBDMO C[N@@H+](CCCNC(=O)CCc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000087019586 494162356 /nfs/dbraw/zinc/16/23/56/494162356.db2.gz GMSFUFHIUQKZPC-UHFFFAOYSA-N 1 1 355.438 3.166 20 5 FGBDMO CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000011351502 494175525 /nfs/dbraw/zinc/17/55/25/494175525.db2.gz QJTUFFSHBSEDSS-UHFFFAOYSA-N 1 1 372.377 3.212 20 5 FGBDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000011351502 494175529 /nfs/dbraw/zinc/17/55/29/494175529.db2.gz 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Cc1nn(-c2ccncc2)cc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000571327705 505707728 /nfs/dbraw/zinc/70/77/28/505707728.db2.gz CEDRZCMDVSWELH-UHFFFAOYSA-N 1 1 351.410 3.158 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccc(OC(F)F)cc3)C2)nc1 ZINC000072665338 494228603 /nfs/dbraw/zinc/22/86/03/494228603.db2.gz QKAFVNRXMISPNN-CYBMUJFWSA-N 1 1 364.352 3.278 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ncc(-c4ccccc4)o3)C2)nc1 ZINC000072665186 494229227 /nfs/dbraw/zinc/22/92/27/494229227.db2.gz JUTQKRWXKZIOOS-HNNXBMFYSA-N 1 1 365.393 3.331 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ncc(-c4ccccc4)o3)C2)nc1 ZINC000072665186 494229231 /nfs/dbraw/zinc/22/92/31/494229231.db2.gz JUTQKRWXKZIOOS-HNNXBMFYSA-N 1 1 365.393 3.331 20 5 FGBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000065892770 494252823 /nfs/dbraw/zinc/25/28/23/494252823.db2.gz DRSVCLIJSBLLIA-XHSDSOJGSA-N 1 1 372.469 3.032 20 5 FGBDMO CNc1ccc(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000043086304 494263111 /nfs/dbraw/zinc/26/31/11/494263111.db2.gz XQWJAXNKFFNFDV-UHFFFAOYSA-N 1 1 370.453 3.407 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000043149717 494271475 /nfs/dbraw/zinc/27/14/75/494271475.db2.gz PEQZRMIMTIHVEJ-MRXNPFEDSA-N 1 1 354.410 3.299 20 5 FGBDMO COc1ccc(F)cc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000055152541 494307533 /nfs/dbraw/zinc/30/75/33/494307533.db2.gz ZDYNAFBGHULSHY-NEPJUHHUSA-N 1 1 361.373 3.420 20 5 FGBDMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000014602432 494321767 /nfs/dbraw/zinc/32/17/67/494321767.db2.gz DIUUWLVZXUTANE-AWEZNQCLSA-N 1 1 359.813 3.253 20 5 FGBDMO CC(C)[N@H+](CC(=O)NCCOc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000066434523 494334519 /nfs/dbraw/zinc/33/45/19/494334519.db2.gz QNRAWVRJBMOAJF-UHFFFAOYSA-N 1 1 371.437 3.000 20 5 FGBDMO CC(C)[N@@H+](CC(=O)NCCOc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000066434523 494334521 /nfs/dbraw/zinc/33/45/21/494334521.db2.gz 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CCC[N@H+]1Cc2cccc(NC(=O)COc3ccccc3[N+](=O)[O-])c2C1 ZINC000066515093 494348120 /nfs/dbraw/zinc/34/81/20/494348120.db2.gz CKXSNASMOSSUKZ-UHFFFAOYSA-N 1 1 355.394 3.338 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C[C@@H](C)c1ccccc1 ZINC000066854667 494427624 /nfs/dbraw/zinc/42/76/24/494427624.db2.gz HKOGOLCOBWZAAH-CQSZACIVSA-N 1 1 357.410 3.277 20 5 FGBDMO O=[N+]([O-])c1ccc(OCCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000090367456 494458446 /nfs/dbraw/zinc/45/84/46/494458446.db2.gz YHTMOJBRXBDJQK-UHFFFAOYSA-N 1 1 355.438 3.182 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@H+](C)Cc2sccc2C)c([N+](=O)[O-])c1 ZINC000020803122 494481840 /nfs/dbraw/zinc/48/18/40/494481840.db2.gz WSOISNLPESTDGW-UHFFFAOYSA-N 1 1 363.439 3.434 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@@H+](C)Cc2sccc2C)c([N+](=O)[O-])c1 ZINC000020803122 494481843 /nfs/dbraw/zinc/48/18/43/494481843.db2.gz WSOISNLPESTDGW-UHFFFAOYSA-N 1 1 363.439 3.434 20 5 FGBDMO CCC[N@H+](CC(=O)NC)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000092381422 494610612 /nfs/dbraw/zinc/61/06/12/494610612.db2.gz BLNMSCMPNFUNAJ-UHFFFAOYSA-N 1 1 365.817 3.466 20 5 FGBDMO CCC[N@@H+](CC(=O)NC)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000092381422 494610620 /nfs/dbraw/zinc/61/06/20/494610620.db2.gz BLNMSCMPNFUNAJ-UHFFFAOYSA-N 1 1 365.817 3.466 20 5 FGBDMO CC(C)c1[nH+]ccn1CCC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000126092198 494632610 /nfs/dbraw/zinc/63/26/10/494632610.db2.gz GARBRGQOVXJSFI-UHFFFAOYSA-N 1 1 356.426 3.496 20 5 FGBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000080463911 494710947 /nfs/dbraw/zinc/71/09/47/494710947.db2.gz HHBDQNNTMLWCQV-MRXNPFEDSA-N 1 1 359.470 3.063 20 5 FGBDMO Cc1cc([C@@H]2CCC[N@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)on1 ZINC000067965848 494713119 /nfs/dbraw/zinc/71/31/19/494713119.db2.gz BTWNBCYJDZRREQ-INIZCTEOSA-N 1 1 358.398 3.365 20 5 FGBDMO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCc3ccccc3CC2)c([N+](=O)[O-])c1 ZINC000116302073 494758818 /nfs/dbraw/zinc/75/88/18/494758818.db2.gz IRGUHIUGJMISNQ-CQSZACIVSA-N 1 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C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1Cl ZINC000026364276 494821704 /nfs/dbraw/zinc/82/17/04/494821704.db2.gz SUVIPSFBWDIBJC-GFCCVEGCSA-N 1 1 359.813 3.488 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](c3ccncc3)C2)c2c(c1)COCO2 ZINC000577542287 505748372 /nfs/dbraw/zinc/74/83/72/505748372.db2.gz PFHIPNLSVRYQAB-HNNXBMFYSA-N 1 1 355.394 3.236 20 5 FGBDMO COC(=O)[C@H](C)Oc1ccc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000093443817 494893101 /nfs/dbraw/zinc/89/31/01/494893101.db2.gz QOSAYUVIXKJJMS-AWEZNQCLSA-N 1 1 370.405 3.093 20 5 FGBDMO COC(=O)[C@H](C)Oc1ccc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000093443817 494893105 /nfs/dbraw/zinc/89/31/05/494893105.db2.gz QOSAYUVIXKJJMS-AWEZNQCLSA-N 1 1 370.405 3.093 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC000093608178 494902278 /nfs/dbraw/zinc/90/22/78/494902278.db2.gz XOAKCAFKZZXOOR-UHFFFAOYSA-N 1 1 364.405 3.034 20 5 FGBDMO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000093610692 494903516 /nfs/dbraw/zinc/90/35/16/494903516.db2.gz GEGCCUHIBKVDEO-AWEZNQCLSA-N 1 1 352.456 3.199 20 5 FGBDMO COC(=O)C[C@H]1CSCC[N@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000093610692 494903521 /nfs/dbraw/zinc/90/35/21/494903521.db2.gz GEGCCUHIBKVDEO-AWEZNQCLSA-N 1 1 352.456 3.199 20 5 FGBDMO CCc1nsc(N2CCC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000093871479 494929879 /nfs/dbraw/zinc/92/98/79/494929879.db2.gz ZIQUUHHECWFIRO-VMPITWQZSA-N 1 1 373.482 3.234 20 5 FGBDMO CCc1nsc(N2CCC[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000093871479 494929883 /nfs/dbraw/zinc/92/98/83/494929883.db2.gz ZIQUUHHECWFIRO-VMPITWQZSA-N 1 1 373.482 3.234 20 5 FGBDMO COC(=O)c1ccc(N2CC[N@H+](Cc3ccccc3[N+](=O)[O-])[C@H](C)C2)cc1 ZINC000109959461 494934383 /nfs/dbraw/zinc/93/43/83/494934383.db2.gz RLRIBLWMQNCORL-OAHLLOKOSA-N 1 1 369.421 3.092 20 5 FGBDMO COC(=O)c1ccc(N2CC[N@@H+](Cc3ccccc3[N+](=O)[O-])[C@H](C)C2)cc1 ZINC000109959461 494934387 /nfs/dbraw/zinc/93/43/87/494934387.db2.gz RLRIBLWMQNCORL-OAHLLOKOSA-N 1 1 369.421 3.092 20 5 FGBDMO C[C@@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[N@@H+](C)Cc1ccccc1 ZINC000110965234 495026304 /nfs/dbraw/zinc/02/63/04/495026304.db2.gz YEBPVIXQYNQQFI-AWEZNQCLSA-N 1 1 366.421 3.326 20 5 FGBDMO Cc1nc(C[NH+]2CCC(CNC(=O)c3ccccc3[N+](=O)[O-])CC2)cs1 ZINC000111042957 495033680 /nfs/dbraw/zinc/03/36/80/495033680.db2.gz RXIQZBLWFGTLAP-UHFFFAOYSA-N 1 1 374.466 3.002 20 5 FGBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000133751302 495056763 /nfs/dbraw/zinc/05/67/63/495056763.db2.gz JPGJONAAOAKMQI-MRXNPFEDSA-N 1 1 371.412 3.328 20 5 FGBDMO NC(=O)c1ccc(C[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000111306087 495061768 /nfs/dbraw/zinc/06/17/68/495061768.db2.gz ZXJOOXQSBCVZHW-AWEZNQCLSA-N 1 1 359.813 3.337 20 5 FGBDMO Cc1nn(C)c(N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000133836177 495068110 /nfs/dbraw/zinc/06/81/10/495068110.db2.gz YEFKUNBQVDWHBW-MSOLQXFVSA-N 1 1 369.469 3.128 20 5 FGBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCc2ccc(F)cc2C1 ZINC000134097885 495105426 /nfs/dbraw/zinc/10/54/26/495105426.db2.gz APVXSXGSJOSWOQ-UHFFFAOYSA-N 1 1 371.368 3.090 20 5 FGBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCc2ccc(F)cc2C1 ZINC000134097885 495105430 /nfs/dbraw/zinc/10/54/30/495105430.db2.gz APVXSXGSJOSWOQ-UHFFFAOYSA-N 1 1 371.368 3.090 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000134230317 495124102 /nfs/dbraw/zinc/12/41/02/495124102.db2.gz MLZFIGYXLBHRGT-KSSFIOAISA-N 1 1 369.421 3.166 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000134230317 495124103 /nfs/dbraw/zinc/12/41/03/495124103.db2.gz MLZFIGYXLBHRGT-KSSFIOAISA-N 1 1 369.421 3.166 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000134752847 495195748 /nfs/dbraw/zinc/19/57/48/495195748.db2.gz JBYUBYYIKDNDKU-MRXNPFEDSA-N 1 1 374.485 3.181 20 5 FGBDMO C[C@H]1C[C@H](N(C)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@H+]1C ZINC000124046292 495225616 /nfs/dbraw/zinc/22/56/16/495225616.db2.gz KLQPAGFRUHAODS-GXTWGEPZSA-N 1 1 374.466 3.273 20 5 FGBDMO C[C@@H]1C[C@H](N(C)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@H+]1C ZINC000124046032 495225718 /nfs/dbraw/zinc/22/57/18/495225718.db2.gz KLQPAGFRUHAODS-TZMCWYRMSA-N 1 1 374.466 3.273 20 5 FGBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@H+]1C ZINC000124046532 495225925 /nfs/dbraw/zinc/22/59/25/495225925.db2.gz KLQPAGFRUHAODS-OCCSQVGLSA-N 1 1 374.466 3.273 20 5 FGBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000124113016 495235133 /nfs/dbraw/zinc/23/51/33/495235133.db2.gz IUCFVMRKKZNJEC-SNVBAGLBSA-N 1 1 351.794 3.211 20 5 FGBDMO O=C(Nc1ccccc1O)C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000103465507 495236327 /nfs/dbraw/zinc/23/63/27/495236327.db2.gz HBWNSYWNAHBMRR-UHFFFAOYSA-N 1 1 373.384 3.290 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1F ZINC000124275020 495261397 /nfs/dbraw/zinc/26/13/97/495261397.db2.gz UBLDJDNSOJQLNW-UHFFFAOYSA-N 1 1 372.331 3.297 20 5 FGBDMO CCOC(=O)[C@@H]1CCC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000104661566 495294982 /nfs/dbraw/zinc/29/49/82/495294982.db2.gz GWCFXTMVGJVTBZ-OAHLLOKOSA-N 1 1 373.409 3.067 20 5 FGBDMO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC(C)(C)CN1CCOCC1 ZINC000124512698 495300004 /nfs/dbraw/zinc/30/00/04/495300004.db2.gz PSGYQTXIWJOCTL-UHFFFAOYSA-N 1 1 355.866 3.038 20 5 FGBDMO CN(Cc1ccc(Cl)cc1[N+](=O)[O-])CC(C)(C)C[NH+]1CCOCC1 ZINC000124512698 495300008 /nfs/dbraw/zinc/30/00/08/495300008.db2.gz PSGYQTXIWJOCTL-UHFFFAOYSA-N 1 1 355.866 3.038 20 5 FGBDMO CCOC[C@H]1CCC[N@@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000113935905 495337930 /nfs/dbraw/zinc/33/79/30/495337930.db2.gz UGSXUFKXFYYLBX-LBPRGKRZSA-N 1 1 374.384 3.453 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H]1CCc2ccccc2C1 ZINC000114490328 495384983 /nfs/dbraw/zinc/38/49/83/495384983.db2.gz ZEGGOTOEJNYGLX-MRXNPFEDSA-N 1 1 369.421 3.031 20 5 FGBDMO COc1ccc([C@H](C)[N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000105728552 495389913 /nfs/dbraw/zinc/38/99/13/495389913.db2.gz VKKDOOFJGAKADD-AWEZNQCLSA-N 1 1 357.410 3.259 20 5 FGBDMO COc1ccc([C@H](C)[N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000105728552 495389914 /nfs/dbraw/zinc/38/99/14/495389914.db2.gz VKKDOOFJGAKADD-AWEZNQCLSA-N 1 1 357.410 3.259 20 5 FGBDMO CCc1nc([C@@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cs1 ZINC000130478835 495398612 /nfs/dbraw/zinc/39/86/12/495398612.db2.gz GZBGVSBIDBHOPA-SNVBAGLBSA-N 1 1 366.418 3.432 20 5 FGBDMO C[N@H+]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C2(CCCCC2)C1 ZINC000136979472 495415170 /nfs/dbraw/zinc/41/51/70/495415170.db2.gz GAFVVGYNSJEGAE-UHFFFAOYSA-N 1 1 370.453 3.096 20 5 FGBDMO C[C@H](NC(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000571652035 505783297 /nfs/dbraw/zinc/78/32/97/505783297.db2.gz UANYOPVPTJSQIY-AWEZNQCLSA-N 1 1 359.401 3.086 20 5 FGBDMO C[C@H](NC(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000571652035 505783301 /nfs/dbraw/zinc/78/33/01/505783301.db2.gz UANYOPVPTJSQIY-AWEZNQCLSA-N 1 1 359.401 3.086 20 5 FGBDMO CC[N@@H+](C)Cc1cccc(CNc2ccc(C(=O)NC)cc2[N+](=O)[O-])c1 ZINC000138678714 495466540 /nfs/dbraw/zinc/46/65/40/495466540.db2.gz UWQWCNZSEFNTJU-UHFFFAOYSA-N 1 1 356.426 3.018 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCC[C@H]3CN3CCOCC3)o2)c1 ZINC000125695541 495484360 /nfs/dbraw/zinc/48/43/60/495484360.db2.gz IODYBEJTJNKKMN-SFHVURJKSA-N 1 1 371.437 3.151 20 5 FGBDMO COc1cc(C[N@@H+](C)[C@H](CO)CC(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000185330616 495534758 /nfs/dbraw/zinc/53/47/58/495534758.db2.gz KVDLUPUYNQPWQT-LBPRGKRZSA-N 1 1 362.373 3.044 20 5 FGBDMO O=[N+]([O-])c1ccn(CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)n1 ZINC000176204159 495544637 /nfs/dbraw/zinc/54/46/37/495544637.db2.gz ZMZWZINWCODXQG-UHFFFAOYSA-N 1 1 354.332 3.475 20 5 FGBDMO C[C@@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000173521065 495570575 /nfs/dbraw/zinc/57/05/75/495570575.db2.gz HHAQEHOMKZYWHV-CQSZACIVSA-N 1 1 359.451 3.393 20 5 FGBDMO CCOc1ccc([C@H](C)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000179393645 495574358 /nfs/dbraw/zinc/57/43/58/495574358.db2.gz QNVPZXAHKUIUKH-DOTOQJQBSA-N 1 1 365.474 3.001 20 5 FGBDMO CCOc1ccc([C@H](C)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000179393645 495574362 /nfs/dbraw/zinc/57/43/62/495574362.db2.gz QNVPZXAHKUIUKH-DOTOQJQBSA-N 1 1 365.474 3.001 20 5 FGBDMO C[C@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2sccc2C1 ZINC000176404994 495639741 /nfs/dbraw/zinc/63/97/41/495639741.db2.gz KQLMTZPWGBVEHM-CQSZACIVSA-N 1 1 373.478 3.152 20 5 FGBDMO C[C@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)[N@H+]1CCc2sccc2C1 ZINC000176404994 495639744 /nfs/dbraw/zinc/63/97/44/495639744.db2.gz KQLMTZPWGBVEHM-CQSZACIVSA-N 1 1 373.478 3.152 20 5 FGBDMO COC(=O)C1([N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCCC1 ZINC000159199384 495683098 /nfs/dbraw/zinc/68/30/98/495683098.db2.gz LKFONUKEHPRKLV-UHFFFAOYSA-N 1 1 373.409 3.210 20 5 FGBDMO COC(=O)C1([N@@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCCC1 ZINC000159199384 495683103 /nfs/dbraw/zinc/68/31/03/495683103.db2.gz LKFONUKEHPRKLV-UHFFFAOYSA-N 1 1 373.409 3.210 20 5 FGBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159216075 495685337 /nfs/dbraw/zinc/68/53/37/495685337.db2.gz HAAHGBZJCLOWKI-FQEVSTJZSA-N 1 1 354.406 3.148 20 5 FGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159216075 495685342 /nfs/dbraw/zinc/68/53/42/495685342.db2.gz HAAHGBZJCLOWKI-FQEVSTJZSA-N 1 1 354.406 3.148 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185712617 495693258 /nfs/dbraw/zinc/69/32/58/495693258.db2.gz GIBKEUCVJZWGMO-HOTGVXAUSA-N 1 1 374.485 3.084 20 5 FGBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000150966517 495696694 /nfs/dbraw/zinc/69/66/94/495696694.db2.gz KTLNFUVLGFMLMZ-JKSUJKDBSA-N 1 1 374.485 3.389 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCS[C@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000173860058 495723431 /nfs/dbraw/zinc/72/34/31/495723431.db2.gz QXDZRJOFHKCNPS-BBRMVZONSA-N 1 1 351.472 3.304 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCS[C@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000173860058 495723437 /nfs/dbraw/zinc/72/34/37/495723437.db2.gz QXDZRJOFHKCNPS-BBRMVZONSA-N 1 1 351.472 3.304 20 5 FGBDMO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1 ZINC000171127775 495734916 /nfs/dbraw/zinc/73/49/16/495734916.db2.gz VFWIHEQYJFJGAE-LBPRGKRZSA-N 1 1 371.393 3.271 20 5 FGBDMO COc1cc(C[N@@H+](C)[C@H]2CCSC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000179928114 495786175 /nfs/dbraw/zinc/78/61/75/495786175.db2.gz FOYYEXPTCQPNLX-NSHDSACASA-N 1 1 362.398 3.185 20 5 FGBDMO C[C@H]1OCC[C@]1(O)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000571746464 505804414 /nfs/dbraw/zinc/80/44/14/505804414.db2.gz BYUPZMOEOZQQJT-UTKZUKDTSA-N 1 1 370.449 3.179 20 5 FGBDMO C[C@@H]1OCC[C@]1(O)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000571746466 505804763 /nfs/dbraw/zinc/80/47/63/505804763.db2.gz BYUPZMOEOZQQJT-UWJYYQICSA-N 1 1 370.449 3.179 20 5 FGBDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C2 ZINC000159857235 495824875 /nfs/dbraw/zinc/82/48/75/495824875.db2.gz DQBZNHNSTAMLLF-UONOGXRCSA-N 1 1 351.834 3.336 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H]1c1ccccc1 ZINC000180104161 495860304 /nfs/dbraw/zinc/86/03/04/495860304.db2.gz CEWHQPXPILOHJE-MOPGFXCFSA-N 1 1 364.405 3.251 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000180120093 495865693 /nfs/dbraw/zinc/86/56/93/495865693.db2.gz RMFWKJHMORNTCZ-SJORKVTESA-N 1 1 359.813 3.423 20 5 FGBDMO CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174243494 495878977 /nfs/dbraw/zinc/87/89/77/495878977.db2.gz NBJLNWQJGNAPDY-AWEZNQCLSA-N 1 1 363.458 3.131 20 5 FGBDMO O=C(CCc1cccc([N+](=O)[O-])c1)NCCC[N@H+]1CCc2ccccc2C1 ZINC000155232185 495884582 /nfs/dbraw/zinc/88/45/82/495884582.db2.gz WOWWJYLJBZCAPY-UHFFFAOYSA-N 1 1 367.449 3.092 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@@](C)(O)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000180199957 495903330 /nfs/dbraw/zinc/90/33/30/495903330.db2.gz LIENFADVLJXYRZ-HXUWFJFHSA-N 1 1 372.421 3.139 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@](C)(O)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000180199957 495903337 /nfs/dbraw/zinc/90/33/37/495903337.db2.gz LIENFADVLJXYRZ-HXUWFJFHSA-N 1 1 372.421 3.139 20 5 FGBDMO COc1ccc([C@@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)cc1 ZINC000155318410 495918089 /nfs/dbraw/zinc/91/80/89/495918089.db2.gz UWICRNFQJLKAEC-OAHLLOKOSA-N 1 1 370.405 3.459 20 5 FGBDMO O=C(C[N@H+](CCC(F)(F)F)CC1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000177166677 495956250 /nfs/dbraw/zinc/95/62/50/495956250.db2.gz VHYCUFSSXOOPQL-UHFFFAOYSA-N 1 1 371.359 3.148 20 5 FGBDMO O=C(C[N@@H+](CCC(F)(F)F)CC1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000177166677 495956253 /nfs/dbraw/zinc/95/62/53/495956253.db2.gz VHYCUFSSXOOPQL-UHFFFAOYSA-N 1 1 371.359 3.148 20 5 FGBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[N@H+]1CCC[C@@H](C)C1 ZINC000180454410 496002386 /nfs/dbraw/zinc/00/23/86/496002386.db2.gz MDAILVNTFOSUCE-NEPJUHHUSA-N 1 1 371.384 3.046 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCOC4(CCOCC4)C3)o2)c1 ZINC000180527463 496033332 /nfs/dbraw/zinc/03/33/32/496033332.db2.gz KWBAYXYORZUMQI-UHFFFAOYSA-N 1 1 358.394 3.236 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCOC4(CCOCC4)C3)o2)c1 ZINC000180527463 496033335 /nfs/dbraw/zinc/03/33/35/496033335.db2.gz KWBAYXYORZUMQI-UHFFFAOYSA-N 1 1 358.394 3.236 20 5 FGBDMO C[N@H+]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC12CCCCC2 ZINC000571818600 505821242 /nfs/dbraw/zinc/82/12/42/505821242.db2.gz RPLPWYWUZIGTKZ-UHFFFAOYSA-N 1 1 371.441 3.095 20 5 FGBDMO C[C@@H]1C[N@H+](CCC2CCN(Cc3csc([N+](=O)[O-])c3)CC2)C[C@H](C)O1 ZINC000177479182 496078131 /nfs/dbraw/zinc/07/81/31/496078131.db2.gz GDPCKNRPFQPOLV-GASCZTMLSA-N 1 1 367.515 3.368 20 5 FGBDMO CC[C@@H](C)C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000171948295 496105441 /nfs/dbraw/zinc/10/54/41/496105441.db2.gz MGSKTJBSFTVFRK-SNVBAGLBSA-N 1 1 358.236 3.274 20 5 FGBDMO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000177586706 496122364 /nfs/dbraw/zinc/12/23/64/496122364.db2.gz BMPFXHHAPTYUCK-KRWDZBQOSA-N 1 1 352.406 3.284 20 5 FGBDMO C[N@@H+](CCNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000177645426 496145035 /nfs/dbraw/zinc/14/50/35/496145035.db2.gz OSGIYURFMFOBJX-UHFFFAOYSA-N 1 1 365.792 3.249 20 5 FGBDMO CCOCCO[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000180788770 496147172 /nfs/dbraw/zinc/14/71/72/496147172.db2.gz DBWRUQDTUXOAJR-KRWDZBQOSA-N 1 1 360.410 3.482 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+](C)C[C@@H](C)c2nccs2)cccc1[N+](=O)[O-] ZINC000183926126 496164417 /nfs/dbraw/zinc/16/44/17/496164417.db2.gz BPVZJKJXSJCNKC-GFCCVEGCSA-N 1 1 362.455 3.424 20 5 FGBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000174923841 496167051 /nfs/dbraw/zinc/16/70/51/496167051.db2.gz BPGKWAIXTQEXIM-SFHVURJKSA-N 1 1 367.449 3.118 20 5 FGBDMO C[N@@H+]1CC[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000180879623 496183689 /nfs/dbraw/zinc/18/36/89/496183689.db2.gz HCLWJBKLWKEOFW-PBHICJAKSA-N 1 1 374.828 3.006 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000180879623 496183694 /nfs/dbraw/zinc/18/36/94/496183694.db2.gz HCLWJBKLWKEOFW-PBHICJAKSA-N 1 1 374.828 3.006 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C[C@@H](C)c1nccs1 ZINC000183996560 496193115 /nfs/dbraw/zinc/19/31/15/496193115.db2.gz VAVGAURLPOMLLV-CYBMUJFWSA-N 1 1 362.455 3.424 20 5 FGBDMO CCOc1ccc(C(=O)N2CCC([N@H+]3CCC[C@@H]3C)CC2)cc1[N+](=O)[O-] ZINC000152697928 496230326 /nfs/dbraw/zinc/23/03/26/496230326.db2.gz QMMIMOIOXVKXDH-AWEZNQCLSA-N 1 1 361.442 3.082 20 5 FGBDMO COc1cc(C[N@H+](CCO)[C@H]2CCc3ccccc32)c([N+](=O)[O-])cc1F ZINC000184231407 496296911 /nfs/dbraw/zinc/29/69/11/496296911.db2.gz IBSTZYXMGKQPSU-KRWDZBQOSA-N 1 1 360.385 3.224 20 5 FGBDMO COc1cc(C[N@@H+](CCO)[C@H]2CCc3ccccc32)c([N+](=O)[O-])cc1F ZINC000184231407 496296917 /nfs/dbraw/zinc/29/69/17/496296917.db2.gz IBSTZYXMGKQPSU-KRWDZBQOSA-N 1 1 360.385 3.224 20 5 FGBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC000178059850 496309507 /nfs/dbraw/zinc/30/95/07/496309507.db2.gz KWYNKOGQSNIUID-AWEZNQCLSA-N 1 1 359.451 3.298 20 5 FGBDMO O=C(NC[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC000178059850 496309511 /nfs/dbraw/zinc/30/95/11/496309511.db2.gz KWYNKOGQSNIUID-AWEZNQCLSA-N 1 1 359.451 3.298 20 5 FGBDMO C[C@@H](NC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000172554495 496338896 /nfs/dbraw/zinc/33/88/96/496338896.db2.gz URCWJPCSHNPQKN-OAHLLOKOSA-N 1 1 360.458 3.316 20 5 FGBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000178309407 496408402 /nfs/dbraw/zinc/40/84/02/496408402.db2.gz MUALDDGUACNBIA-IUODEOHRSA-N 1 1 359.451 3.366 20 5 FGBDMO Cc1c([C@H](C)[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])cnn1C ZINC000162766015 496409722 /nfs/dbraw/zinc/40/97/22/496409722.db2.gz HQZBASRYPKJHCD-VIFPVBQESA-N 1 1 353.220 3.250 20 5 FGBDMO COc1cc(C[N@@H+](C)C[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OC(F)F ZINC000181483441 496414541 /nfs/dbraw/zinc/41/45/41/496414541.db2.gz HYHUULCWZNQWJU-RISCZKNCSA-N 1 1 374.384 3.188 20 5 FGBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000153358031 496431022 /nfs/dbraw/zinc/43/10/22/496431022.db2.gz JDQWBWCLQWESFK-ABAIWWIYSA-N 1 1 352.822 3.196 20 5 FGBDMO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000153375627 496435494 /nfs/dbraw/zinc/43/54/94/496435494.db2.gz DUJQOEXCLVBXCE-CSZITXDSSA-N 1 1 355.438 3.083 20 5 FGBDMO CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc2c(c1)OCO2 ZINC000153615861 496519457 /nfs/dbraw/zinc/51/94/57/496519457.db2.gz PHARBVRHKIVRHG-UHFFFAOYSA-N 1 1 371.393 3.174 20 5 FGBDMO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000163509405 496525685 /nfs/dbraw/zinc/52/56/85/496525685.db2.gz BKSDMVRTEOERHU-ZDUSSCGKSA-N 1 1 353.850 3.377 20 5 FGBDMO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000163509405 496525688 /nfs/dbraw/zinc/52/56/88/496525688.db2.gz BKSDMVRTEOERHU-ZDUSSCGKSA-N 1 1 353.850 3.377 20 5 FGBDMO C[N@@H+](CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000157740168 496541854 /nfs/dbraw/zinc/54/18/54/496541854.db2.gz UJSRSNYVXZRIBE-UHFFFAOYSA-N 1 1 355.188 3.041 20 5 FGBDMO CC[C@@H](C)[C@@H](C)[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000181787078 496543933 /nfs/dbraw/zinc/54/39/33/496543933.db2.gz HXTJKQUGGACDRZ-ZIAGYGMSSA-N 1 1 354.472 3.268 20 5 FGBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000184851908 496557834 /nfs/dbraw/zinc/55/78/34/496557834.db2.gz FLHZTTXCMWWYCN-MSOLQXFVSA-N 1 1 361.486 3.258 20 5 FGBDMO CCOc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000153822699 496592233 /nfs/dbraw/zinc/59/22/33/496592233.db2.gz JFAPXUAZGCJHLH-WBVHZDCISA-N 1 1 373.453 3.082 20 5 FGBDMO Cc1cnn(-c2cc[nH+]cc2NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000158070168 496620611 /nfs/dbraw/zinc/62/06/11/496620611.db2.gz ZOBNDWIMPPTFRH-UHFFFAOYSA-N 1 1 357.757 3.390 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000185019719 496625137 /nfs/dbraw/zinc/62/51/37/496625137.db2.gz QDBYYZXUVREFEQ-NVXWUHKLSA-N 1 1 359.426 3.176 20 5 FGBDMO COc1ccc(NC(=O)C[NH2+][C@H](C)c2cccc(F)c2F)c([N+](=O)[O-])c1 ZINC000182001075 496630495 /nfs/dbraw/zinc/63/04/95/496630495.db2.gz JTMKZOVNASXYDG-SNVBAGLBSA-N 1 1 365.336 3.171 20 5 FGBDMO O=C(C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1)N1CCCCC1 ZINC000182034461 496642869 /nfs/dbraw/zinc/64/28/69/496642869.db2.gz IQENOJFTVNRNCX-UHFFFAOYSA-N 1 1 365.861 3.473 20 5 FGBDMO CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C12CCC2 ZINC000154001544 496650710 /nfs/dbraw/zinc/65/07/10/496650710.db2.gz PTKKICXXYLROPO-JKSUJKDBSA-N 1 1 361.442 3.121 20 5 FGBDMO CCO[C@@H]1C[C@H]([N@@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C12CCC2 ZINC000154001544 496650712 /nfs/dbraw/zinc/65/07/12/496650712.db2.gz PTKKICXXYLROPO-JKSUJKDBSA-N 1 1 361.442 3.121 20 5 FGBDMO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182114810 496675441 /nfs/dbraw/zinc/67/54/41/496675441.db2.gz LUROLKRQLPIHPC-ZDUSSCGKSA-N 1 1 353.850 3.232 20 5 FGBDMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182114810 496675446 /nfs/dbraw/zinc/67/54/46/496675446.db2.gz LUROLKRQLPIHPC-ZDUSSCGKSA-N 1 1 353.850 3.232 20 5 FGBDMO CCC[N@H+]1CC[C@@H](CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000158354640 496683619 /nfs/dbraw/zinc/68/36/19/496683619.db2.gz LFUKIHOGHKTYFC-HNNXBMFYSA-N 1 1 360.458 3.001 20 5 FGBDMO COc1cccc(NCc2cccc(C[NH+]3CCOCC3)c2)c1[N+](=O)[O-] ZINC000185200879 496700554 /nfs/dbraw/zinc/70/05/54/496700554.db2.gz KDIUUIZKGNXLOF-UHFFFAOYSA-N 1 1 357.410 3.048 20 5 FGBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000182229396 496714981 /nfs/dbraw/zinc/71/49/81/496714981.db2.gz ZASVEZFUIJQTHP-LBPRGKRZSA-N 1 1 371.384 3.000 20 5 FGBDMO C[S@@](=O)C[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000273263116 496756553 /nfs/dbraw/zinc/75/65/53/496756553.db2.gz ITKVEKIVEUYDFN-NPMXOYFQSA-N 1 1 352.843 3.458 20 5 FGBDMO CCC[C@]1(COC)CCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000194933447 496765831 /nfs/dbraw/zinc/76/58/31/496765831.db2.gz SNAYWXKMQLIGPP-GOSISDBHSA-N 1 1 350.415 3.242 20 5 FGBDMO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000273484209 496819007 /nfs/dbraw/zinc/81/90/07/496819007.db2.gz RDKIWORMZMCPDT-SJCJKPOMSA-N 1 1 362.405 3.215 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(c2ccncc2)CC1 ZINC000191602787 496828357 /nfs/dbraw/zinc/82/83/57/496828357.db2.gz TUUXULLFARBLFW-CQSZACIVSA-N 1 1 354.410 3.196 20 5 FGBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(OC3CCCC3)CC2)c2c(c1)COCO2 ZINC000195316275 496885851 /nfs/dbraw/zinc/88/58/51/496885851.db2.gz HKADLXJECYGOJI-UHFFFAOYSA-N 1 1 362.426 3.385 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2csc(NCc3c[nH+]c4n3CCCC4)n2)cc1 ZINC000578149573 505872984 /nfs/dbraw/zinc/87/29/84/505872984.db2.gz MWQCEDBAMGQLKE-UHFFFAOYSA-N 1 1 355.423 3.285 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000247730285 496910081 /nfs/dbraw/zinc/91/00/81/496910081.db2.gz VCBNABFCPZEBHW-KDOFPFPSSA-N 1 1 371.441 3.011 20 5 FGBDMO CSc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000248046367 496947123 /nfs/dbraw/zinc/94/71/23/496947123.db2.gz MZHBVBIPOQCCMH-MAUKXSAKSA-N 1 1 371.462 3.492 20 5 FGBDMO C[C@@H](c1cc(F)ccc1F)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248372537 496985842 /nfs/dbraw/zinc/98/58/42/496985842.db2.gz AOXHNULVIGZOEL-GXTWGEPZSA-N 1 1 366.364 3.306 20 5 FGBDMO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248372537 496985850 /nfs/dbraw/zinc/98/58/50/496985850.db2.gz AOXHNULVIGZOEL-GXTWGEPZSA-N 1 1 366.364 3.306 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000248434305 497010102 /nfs/dbraw/zinc/01/01/02/497010102.db2.gz RBKWWDQMQHFSMU-JLJPHGGASA-N 1 1 361.442 3.443 20 5 FGBDMO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248465921 497021330 /nfs/dbraw/zinc/02/13/30/497021330.db2.gz RYDJQBZJRDKGCA-QGPMSJSTSA-N 1 1 374.412 3.352 20 5 FGBDMO C[C@@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000248565594 497042389 /nfs/dbraw/zinc/04/23/89/497042389.db2.gz KQJQXMNXFQATHL-ZIAGYGMSSA-N 1 1 365.449 3.464 20 5 FGBDMO COC1CCC([N@@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000265198972 497068914 /nfs/dbraw/zinc/06/89/14/497068914.db2.gz JFNDTYGFMUXEKE-UHFFFAOYSA-N 1 1 355.822 3.076 20 5 FGBDMO O=C(c1ccc(F)cc1)C1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000192464545 497123138 /nfs/dbraw/zinc/12/31/38/497123138.db2.gz PLGDFRALIHNGLC-IBGZPJMESA-N 1 1 372.396 3.362 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000270689509 497179953 /nfs/dbraw/zinc/17/99/53/497179953.db2.gz SZSYQWARQCMSKH-HOTGVXAUSA-N 1 1 359.813 3.423 20 5 FGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)COCc1ccccc1Cl ZINC000192707436 497190268 /nfs/dbraw/zinc/19/02/68/497190268.db2.gz UPXPVUWJTUSODH-MRXNPFEDSA-N 1 1 364.829 3.258 20 5 FGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000192707985 497190974 /nfs/dbraw/zinc/19/09/74/497190974.db2.gz KKVFSDZUTKTFAD-WIYYLYMNSA-N 1 1 370.449 3.482 20 5 FGBDMO CCc1nn(C)c(OC)c1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278979922 497289690 /nfs/dbraw/zinc/28/96/90/497289690.db2.gz CVUZUOAJCURNHO-QGZVFWFLSA-N 1 1 358.442 3.412 20 5 FGBDMO Cc1cnc(N2CCC3(C[C@@H]3[N@H+](C)Cc3nccs3)CC2)c([N+](=O)[O-])c1 ZINC000275541494 497359115 /nfs/dbraw/zinc/35/91/15/497359115.db2.gz FLKKMLDWDIISLJ-HNNXBMFYSA-N 1 1 373.482 3.246 20 5 FGBDMO Cc1cnc(N2CCC3(C[C@@H]3[N@@H+](C)Cc3nccs3)CC2)c([N+](=O)[O-])c1 ZINC000275541494 497359117 /nfs/dbraw/zinc/35/91/17/497359117.db2.gz FLKKMLDWDIISLJ-HNNXBMFYSA-N 1 1 373.482 3.246 20 5 FGBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000279374478 497422152 /nfs/dbraw/zinc/42/21/52/497422152.db2.gz UIWZIAWPQOZNHS-GFCCVEGCSA-N 1 1 371.840 3.120 20 5 FGBDMO C[N@@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)[C@H]1c1ccc(Cl)cc1 ZINC000245884233 497559301 /nfs/dbraw/zinc/55/93/01/497559301.db2.gz NPGBMPQWVOIPOD-WMLDXEAASA-N 1 1 374.828 3.006 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)[C@H]1c1ccc(Cl)cc1 ZINC000245884233 497559304 /nfs/dbraw/zinc/55/93/04/497559304.db2.gz NPGBMPQWVOIPOD-WMLDXEAASA-N 1 1 374.828 3.006 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000267495577 497567939 /nfs/dbraw/zinc/56/79/39/497567939.db2.gz XBLSLESDXTYZPV-LPHOPBHVSA-N 1 1 367.449 3.164 20 5 FGBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000246085408 497615551 /nfs/dbraw/zinc/61/55/51/497615551.db2.gz HLSIRCDATHLEEB-XHDPSFHLSA-N 1 1 371.359 3.170 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000194590326 497712431 /nfs/dbraw/zinc/71/24/31/497712431.db2.gz VMFQKNIPFGBKCN-GOSISDBHSA-N 1 1 367.449 3.198 20 5 FGBDMO C[C@@H](CO)[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC1CCC1 ZINC000280314903 497716242 /nfs/dbraw/zinc/71/62/42/497716242.db2.gz GPBJRDOBEVYLEN-AWEZNQCLSA-N 1 1 359.426 3.275 20 5 FGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000246641554 497793217 /nfs/dbraw/zinc/79/32/17/497793217.db2.gz ZMXZEXXBWBVZEL-LZWOXQAQSA-N 1 1 363.483 3.161 20 5 FGBDMO Cc1sc(C(=O)Nc2nc3c(s2)C[N@H+](C(C)C)CC3)cc1[N+](=O)[O-] ZINC000273073871 497795487 /nfs/dbraw/zinc/79/54/87/497795487.db2.gz WACYJKCYDWENFZ-UHFFFAOYSA-N 1 1 366.468 3.440 20 5 FGBDMO Cc1sc(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)C)CC3)cc1[N+](=O)[O-] ZINC000273073871 497795490 /nfs/dbraw/zinc/79/54/90/497795490.db2.gz WACYJKCYDWENFZ-UHFFFAOYSA-N 1 1 366.468 3.440 20 5 FGBDMO Cc1[nH]nc(C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000299573768 497853746 /nfs/dbraw/zinc/85/37/46/497853746.db2.gz WMQIVUDFLJJQLZ-LBPRGKRZSA-N 1 1 357.414 3.111 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000292081865 497869675 /nfs/dbraw/zinc/86/96/75/497869675.db2.gz FVXCCCPYDRMAKQ-CZUORRHYSA-N 1 1 372.425 3.454 20 5 FGBDMO Cc1c[nH+]cn1C1CCN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000364364433 497921053 /nfs/dbraw/zinc/92/10/53/497921053.db2.gz UBSJFNGALKCHPE-CQSZACIVSA-N 1 1 374.466 3.444 20 5 FGBDMO C[N@@H+](CCCO)C1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000581346837 505966541 /nfs/dbraw/zinc/96/65/41/505966541.db2.gz MBSAQJIJEOTUKI-UHFFFAOYSA-N 1 1 362.257 3.185 20 5 FGBDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000285404642 498075066 /nfs/dbraw/zinc/07/50/66/498075066.db2.gz BCCACCAIAUQVOO-XJKSGUPXSA-N 1 1 360.414 3.160 20 5 FGBDMO CCc1cc(N(C)[C@@H]2CCC[N@@H+](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301364911 498076529 /nfs/dbraw/zinc/07/65/29/498076529.db2.gz RXLGSUTZFJPDMA-QGZVFWFLSA-N 1 1 355.442 3.145 20 5 FGBDMO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000364693885 498093480 /nfs/dbraw/zinc/09/34/80/498093480.db2.gz ICIZMIHHDYSRBS-SJORKVTESA-N 1 1 351.834 3.224 20 5 FGBDMO O=C(c1ccccc1)c1ccc(N2CC[C@H]([NH+]3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000301466830 498122090 /nfs/dbraw/zinc/12/20/90/498122090.db2.gz QHGPSRXHOWQFNE-SFHVURJKSA-N 1 1 363.417 3.276 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000285636410 498154883 /nfs/dbraw/zinc/15/48/83/498154883.db2.gz RLARXXIDIATYHR-OAHLLOKOSA-N 1 1 362.348 3.273 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000285636410 498154879 /nfs/dbraw/zinc/15/48/79/498154879.db2.gz RLARXXIDIATYHR-OAHLLOKOSA-N 1 1 362.348 3.273 20 5 FGBDMO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c(Br)c1 ZINC000301541120 498155539 /nfs/dbraw/zinc/15/55/39/498155539.db2.gz OAEAUPBFLFANGG-GFCCVEGCSA-N 1 1 369.263 3.429 20 5 FGBDMO C[C@H]1C[C@@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000330632987 498164135 /nfs/dbraw/zinc/16/41/35/498164135.db2.gz RRKKFPJPJFDUHP-UWVGGRQHSA-N 1 1 356.220 3.026 20 5 FGBDMO C[C@H](CNc1ncc([N+](=O)[O-])cc1Br)[N@H+]1CCC[C@H](C)C1 ZINC000301577618 498171469 /nfs/dbraw/zinc/17/14/69/498171469.db2.gz ZFPIYUBSFBOPTE-WDEREUQCSA-N 1 1 357.252 3.285 20 5 FGBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1c(F)cncc1F ZINC000285696558 498174729 /nfs/dbraw/zinc/17/47/29/498174729.db2.gz OPPPRAOQBHQHAV-QWRGUYRKSA-N 1 1 364.352 3.336 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C/C=C\c3ccc(F)c(F)c3)C2)nc1 ZINC000569741987 506005596 /nfs/dbraw/zinc/00/55/96/506005596.db2.gz ZRBBDOZUFZSBSS-BOPNBLERSA-N 1 1 360.364 3.468 20 5 FGBDMO CC(C)C[N@H+]1CC[C@H](CNc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000301689539 498224780 /nfs/dbraw/zinc/22/47/80/498224780.db2.gz WVEONZBRLYYBPI-LLVKDONJSA-N 1 1 357.252 3.142 20 5 FGBDMO O=[N+]([O-])c1cc(F)ccc1N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000301717704 498237005 /nfs/dbraw/zinc/23/70/05/498237005.db2.gz KYIKZZXEJIULQY-MAUKXSAKSA-N 1 1 359.401 3.029 20 5 FGBDMO CC(C)[C@@]1(CO)CCC[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000293076375 498260047 /nfs/dbraw/zinc/26/00/47/498260047.db2.gz OMAZPLAHQWMGIA-KUHUBIRLSA-N 1 1 374.441 3.436 20 5 FGBDMO Cc1cc(N2CCC(Nc3c(F)cc([N+](=O)[O-])cc3F)CC2)nc(C)[nH+]1 ZINC000301787644 498265178 /nfs/dbraw/zinc/26/51/78/498265178.db2.gz MKOQJUYTCZKJSP-UHFFFAOYSA-N 1 1 363.368 3.361 20 5 FGBDMO C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000301816525 498277354 /nfs/dbraw/zinc/27/73/54/498277354.db2.gz DRACSFWEURQRLB-WBVHZDCISA-N 1 1 360.345 3.499 20 5 FGBDMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3cccc([N+](=O)[O-])c3Cl)CC[C@@H]21 ZINC000289784347 498291967 /nfs/dbraw/zinc/29/19/67/498291967.db2.gz TVMDIFUGHXBQMB-AAEUAGOBSA-N 1 1 352.822 3.196 20 5 FGBDMO CN(CC[C@H]1CCCC[N@H+]1C)c1c(Br)cncc1[N+](=O)[O-] ZINC000301856174 498295534 /nfs/dbraw/zinc/29/55/34/498295534.db2.gz CAXXYOHIHJDGHB-LLVKDONJSA-N 1 1 357.252 3.063 20 5 FGBDMO C[N@H+]1CCC[C@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)[C@@H]1c1cccs1 ZINC000301893501 498314450 /nfs/dbraw/zinc/31/44/50/498314450.db2.gz APJLBQXIGKUCKD-SJKOYZFVSA-N 1 1 372.454 3.194 20 5 FGBDMO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CCN(c2ncccn2)CC1 ZINC000360869693 498318199 /nfs/dbraw/zinc/31/81/99/498318199.db2.gz DJWWURORNGAUPS-UHFFFAOYSA-N 1 1 361.833 3.139 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000331481630 498344279 /nfs/dbraw/zinc/34/42/79/498344279.db2.gz JOONDPUQUWAMFB-LRDDRELGSA-N 1 1 363.483 3.308 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000282032889 498365398 /nfs/dbraw/zinc/36/53/98/498365398.db2.gz TXTYJBBPLHOMIY-XJKSGUPXSA-N 1 1 364.446 3.188 20 5 FGBDMO Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000365273576 498382076 /nfs/dbraw/zinc/38/20/76/498382076.db2.gz ZSRNLLWQKQOYCB-SFHVURJKSA-N 1 1 366.425 3.123 20 5 FGBDMO C[C@@H]1C[NH+](C(C)(C)CNc2ccc([N+](=O)[O-])cc2OC(F)F)C[C@@H](C)O1 ZINC000302072261 498397197 /nfs/dbraw/zinc/39/71/97/498397197.db2.gz ZFGAVTOVRVHTHF-VXGBXAGGSA-N 1 1 373.400 3.496 20 5 FGBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000302175915 498429590 /nfs/dbraw/zinc/42/95/90/498429590.db2.gz OJZRCDCXSCSFAJ-RDJZCZTQSA-N 1 1 370.453 3.345 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC(c4ccccn4)CC3)o2)cc1 ZINC000361955811 498445569 /nfs/dbraw/zinc/44/55/69/498445569.db2.gz XIKZBQHVOVFNEV-UHFFFAOYSA-N 1 1 365.393 3.419 20 5 FGBDMO O=C(Nc1ccccc1O)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000282632637 498589087 /nfs/dbraw/zinc/58/90/87/498589087.db2.gz AYSLRDAECLGWDR-UHFFFAOYSA-N 1 1 373.384 3.290 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3c[nH]nc3-c3cccs3)nc2c1 ZINC000365813125 498651252 /nfs/dbraw/zinc/65/12/52/498651252.db2.gz GAZHGCUFIUCCFV-UHFFFAOYSA-N 1 1 354.395 3.213 20 5 FGBDMO C[C@H]([NH2+]Cc1ccncc1OC[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000287211055 498673167 /nfs/dbraw/zinc/67/31/67/498673167.db2.gz MLPNGOKSIIVDBH-LSDHHAIUSA-N 1 1 357.410 3.256 20 5 FGBDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000294437040 498693290 /nfs/dbraw/zinc/69/32/90/498693290.db2.gz CDQZXFZQULVDRJ-UHFFFAOYSA-N 1 1 361.486 3.193 20 5 FGBDMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000332510086 498707113 /nfs/dbraw/zinc/70/71/13/498707113.db2.gz JKHZQIMKINJVSE-YPMHNXCESA-N 1 1 371.359 3.312 20 5 FGBDMO COCCc1cc[nH+]c(N[C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000287333382 498718771 /nfs/dbraw/zinc/71/87/71/498718771.db2.gz GBLDCEJJXYNJJS-ZDUSSCGKSA-N 1 1 358.398 3.008 20 5 FGBDMO Cc1cc([N+](=O)[O-])cnc1N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000312073435 498756396 /nfs/dbraw/zinc/75/63/96/498756396.db2.gz OWOAHWPIRNTVPA-MSOLQXFVSA-N 1 1 352.438 3.257 20 5 FGBDMO CNc1c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cccc1[N+](=O)[O-] ZINC000312552009 498761989 /nfs/dbraw/zinc/76/19/89/498761989.db2.gz XKWOQQJNPXPPES-WMLDXEAASA-N 1 1 368.437 3.029 20 5 FGBDMO CCN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000366142754 498795092 /nfs/dbraw/zinc/79/50/92/498795092.db2.gz HEJXOPDFMSQFLH-QAPCUYQASA-N 1 1 368.437 3.287 20 5 FGBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cc4c(c(Cl)c3)OCO4)CC2)n1 ZINC000576172824 506093930 /nfs/dbraw/zinc/09/39/30/506093930.db2.gz CPZDXLDGDPVUNP-UHFFFAOYSA-N 1 1 364.789 3.011 20 5 FGBDMO C[N@@H+]1Cc2ccccc2[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000363451264 498828302 /nfs/dbraw/zinc/82/83/02/498828302.db2.gz XVBKPPPFYFXTFJ-QGZVFWFLSA-N 1 1 352.394 3.078 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3nnc[nH]3)C2)c(C(F)(F)F)c1 ZINC000363510653 498854479 /nfs/dbraw/zinc/85/44/79/498854479.db2.gz PMAYYVJTRPMBOV-NSHDSACASA-N 1 1 355.320 3.111 20 5 FGBDMO O=C(CC[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000283352258 498859689 /nfs/dbraw/zinc/85/96/89/498859689.db2.gz RBDDTBUOEFLGSI-WMLDXEAASA-N 1 1 373.409 3.105 20 5 FGBDMO CC[N@H+]1CCc2c(cccc2NC(=O)c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000366337895 498879356 /nfs/dbraw/zinc/87/93/56/498879356.db2.gz LWTAVTRUGAJACZ-UHFFFAOYSA-N 1 1 355.394 3.234 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@H](n4cccn4)C3)cs2)c1 ZINC000291323660 498894580 /nfs/dbraw/zinc/89/45/80/498894580.db2.gz TUPDKYFJCBNIDZ-INIZCTEOSA-N 1 1 355.423 3.362 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CC[C@H](n4cccn4)C3)cs2)c1 ZINC000291323660 498894583 /nfs/dbraw/zinc/89/45/83/498894583.db2.gz 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FGBDMO Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cn1 ZINC000363796845 498996561 /nfs/dbraw/zinc/99/65/61/498996561.db2.gz SKHUGDINKVRVGU-LLVKDONJSA-N 1 1 369.356 3.365 20 5 FGBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000363805082 499003110 /nfs/dbraw/zinc/00/31/10/499003110.db2.gz XHZUODJMPFMREA-UTZKEFOASA-N 1 1 357.454 3.473 20 5 FGBDMO CC1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000366643994 499016408 /nfs/dbraw/zinc/01/64/08/499016408.db2.gz PRYJPVKTDZDHJU-MCPYQZEQSA-N 1 1 357.410 3.170 20 5 FGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCSC[C@@H]2c2cccs2)c1 ZINC000366649744 499017994 /nfs/dbraw/zinc/01/79/94/499017994.db2.gz DAPUSSDAZBXSJJ-CABCVRRESA-N 1 1 350.465 3.480 20 5 FGBDMO CCOc1cc(C[N@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000295666787 499075582 /nfs/dbraw/zinc/07/55/82/499075582.db2.gz QYWBESGFDPPEDE-OAHLLOKOSA-N 1 1 363.458 3.107 20 5 FGBDMO 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/nfs/dbraw/zinc/50/35/64/500503564.db2.gz FIEMIZXJVRYORJ-OAHLLOKOSA-N 1 1 350.415 3.003 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000428387179 500503565 /nfs/dbraw/zinc/50/35/65/500503565.db2.gz FIEMIZXJVRYORJ-OAHLLOKOSA-N 1 1 350.415 3.003 20 5 FGBDMO CCCn1cc[nH+]c1CCCN(C)c1cc(OC)c([N+](=O)[O-])cc1F ZINC000428647436 500536911 /nfs/dbraw/zinc/53/69/11/500536911.db2.gz APDNDCQZCJSXMX-UHFFFAOYSA-N 1 1 350.394 3.418 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437181320 500611390 /nfs/dbraw/zinc/61/13/90/500611390.db2.gz FULAJQADBHXPAN-LLVKDONJSA-N 1 1 359.348 3.218 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(N3CC[NH+](Cc4ccccc4Cl)CC3)nc2c1 ZINC000447685934 500646065 /nfs/dbraw/zinc/64/60/65/500646065.db2.gz NZLGXYNRLPLMSJ-UHFFFAOYSA-N 1 1 371.828 3.447 20 5 FGBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000447817795 500669697 /nfs/dbraw/zinc/66/96/97/500669697.db2.gz SJPKQMYMIIJQOI-UONOGXRCSA-N 1 1 353.806 3.074 20 5 FGBDMO O=C1[C@@H]([N@@H+]2CC[C@H]2Cc2ccccc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000437833321 500703118 /nfs/dbraw/zinc/70/31/18/500703118.db2.gz KOVIZEMYUIJKEN-HKUYNNGSSA-N 1 1 351.406 3.017 20 5 FGBDMO O=C1[C@@H]([N@H+]2CC[C@H]2Cc2ccccc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000437833321 500703120 /nfs/dbraw/zinc/70/31/20/500703120.db2.gz KOVIZEMYUIJKEN-HKUYNNGSSA-N 1 1 351.406 3.017 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000448285622 500743090 /nfs/dbraw/zinc/74/30/90/500743090.db2.gz NGLFLRYKGBSKOY-INIZCTEOSA-N 1 1 372.469 3.034 20 5 FGBDMO CC(C)[N@@H+](C)CCNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444042332 500795630 /nfs/dbraw/zinc/79/56/30/500795630.db2.gz IXPHWXCIRPWGLV-UHFFFAOYSA-N 1 1 373.403 3.030 20 5 FGBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000438844087 500825768 /nfs/dbraw/zinc/82/57/68/500825768.db2.gz XJDUFOFYOGVHMJ-CRAIPNDOSA-N 1 1 362.474 3.466 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000434416946 500839908 /nfs/dbraw/zinc/83/99/08/500839908.db2.gz RKDBLOGJBADHKB-XJKSGUPXSA-N 1 1 363.483 3.209 20 5 FGBDMO CC[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[C@H]1C ZINC000444656197 500874245 /nfs/dbraw/zinc/87/42/45/500874245.db2.gz CVUZONWFAIGINS-RHSMWYFYSA-N 1 1 354.472 3.269 20 5 FGBDMO CC(C)([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(=O)NCC1CCCCC1 ZINC000444678344 500877236 /nfs/dbraw/zinc/87/72/36/500877236.db2.gz WHVUNLZFSUYJDZ-UHFFFAOYSA-N 1 1 373.457 3.036 20 5 FGBDMO CCc1ccccc1CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000444682188 500878040 /nfs/dbraw/zinc/87/80/40/500878040.db2.gz SJKNDVLQDOXJJC-UHFFFAOYSA-N 1 1 367.449 3.158 20 5 FGBDMO CC[C@@H](CO)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccccc1 ZINC000444683649 500878287 /nfs/dbraw/zinc/87/82/87/500878287.db2.gz IJSWEUHUYSROMR-HNNXBMFYSA-N 1 1 354.410 3.244 20 5 FGBDMO CC[C@@H](CO)[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccccc1 ZINC000444683649 500878289 /nfs/dbraw/zinc/87/82/89/500878289.db2.gz IJSWEUHUYSROMR-HNNXBMFYSA-N 1 1 354.410 3.244 20 5 FGBDMO CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000439472566 500901522 /nfs/dbraw/zinc/90/15/22/500901522.db2.gz SEQCZZDNPYNULD-KRWDZBQOSA-N 1 1 370.833 3.040 20 5 FGBDMO CCOC(=O)[C@@]1(COC)CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000439472566 500901524 /nfs/dbraw/zinc/90/15/24/500901524.db2.gz SEQCZZDNPYNULD-KRWDZBQOSA-N 1 1 370.833 3.040 20 5 FGBDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000434900565 500909601 /nfs/dbraw/zinc/90/96/01/500909601.db2.gz NVSOWJRBVFGONR-BEFAXECRSA-N 1 1 365.433 3.362 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000444909735 500920802 /nfs/dbraw/zinc/92/08/02/500920802.db2.gz ZKEXNVTYVRFWKY-CQSZACIVSA-N 1 1 372.425 3.245 20 5 FGBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000439692518 500926933 /nfs/dbraw/zinc/92/69/33/500926933.db2.gz JCCUWFOFXUNATM-MRXNPFEDSA-N 1 1 367.877 3.417 20 5 FGBDMO CCCC1CCC([N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)C)CC1 ZINC000439790222 500939440 /nfs/dbraw/zinc/93/94/40/500939440.db2.gz HOGYLIZCVMMZPZ-HTWSVDAQSA-N 1 1 352.479 3.222 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000435386586 500965032 /nfs/dbraw/zinc/96/50/32/500965032.db2.gz XKLRYIUWBQZRNQ-ZLIFDBKOSA-N 1 1 357.410 3.033 20 5 FGBDMO COc1ccc(-c2ccc(CN3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000435386586 500965035 /nfs/dbraw/zinc/96/50/35/500965035.db2.gz XKLRYIUWBQZRNQ-ZLIFDBKOSA-N 1 1 357.410 3.033 20 5 FGBDMO COc1cccc(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000435499292 500986023 /nfs/dbraw/zinc/98/60/23/500986023.db2.gz FFFDTKPVPGKLOO-GOEBONIOSA-N 1 1 369.421 3.169 20 5 FGBDMO CNC(=O)c1ccc(NC[C@H]2CCC[N@H+]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000435598599 500999514 /nfs/dbraw/zinc/99/95/14/500999514.db2.gz RVGPGFPOORGFRP-MRXNPFEDSA-N 1 1 360.458 3.163 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@@H](OC)[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000449491880 501016369 /nfs/dbraw/zinc/01/63/69/501016369.db2.gz AYEYYMOYZONRHD-SMDDNHRTSA-N 1 1 374.384 3.104 20 5 FGBDMO CCOc1ccccc1C[N@@H+]1CCN(c2cc(C)c([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000440669491 501037152 /nfs/dbraw/zinc/03/71/52/501037152.db2.gz MBECFNFXMYYSCN-MRXNPFEDSA-N 1 1 370.453 3.408 20 5 FGBDMO CCOc1ccccc1C[N@H+]1CCN(c2cc(C)c([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000440669491 501037154 /nfs/dbraw/zinc/03/71/54/501037154.db2.gz MBECFNFXMYYSCN-MRXNPFEDSA-N 1 1 370.453 3.408 20 5 FGBDMO Cc1ccc([C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000435892252 501042138 /nfs/dbraw/zinc/04/21/38/501042138.db2.gz FOGHUFQHUXYOJU-KDOFPFPSSA-N 1 1 362.451 3.167 20 5 FGBDMO CCCc1ncc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)o1 ZINC000449610156 501043623 /nfs/dbraw/zinc/04/36/23/501043623.db2.gz FJBGHMLTDBHUTB-UHFFFAOYSA-N 1 1 355.398 3.226 20 5 FGBDMO COC[C@]1(CO)CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000449697321 501064421 /nfs/dbraw/zinc/06/44/21/501064421.db2.gz LTAJSLPOEINZPB-GOSISDBHSA-N 1 1 362.451 3.154 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CCc1ccccc1C ZINC000451162894 501249144 /nfs/dbraw/zinc/24/91/44/501249144.db2.gz BHPWTLHLYHKVKF-UHFFFAOYSA-N 1 1 371.437 3.415 20 5 FGBDMO CCOc1cc(C[N@@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)ccc1[N+](=O)[O-] ZINC000451280485 501257241 /nfs/dbraw/zinc/25/72/41/501257241.db2.gz GTRZCYOOECDYPO-FXAWDEMLSA-N 1 1 374.412 3.294 20 5 FGBDMO CCOc1cc(C[N@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)ccc1[N+](=O)[O-] ZINC000451280485 501257242 /nfs/dbraw/zinc/25/72/42/501257242.db2.gz GTRZCYOOECDYPO-FXAWDEMLSA-N 1 1 374.412 3.294 20 5 FGBDMO NC(=O)[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548454 501320038 /nfs/dbraw/zinc/32/00/38/501320038.db2.gz NIHCWIJEJZKREC-YJBOKZPZSA-N 1 1 357.385 3.140 20 5 FGBDMO NC(=O)[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548454 501320040 /nfs/dbraw/zinc/32/00/40/501320040.db2.gz NIHCWIJEJZKREC-YJBOKZPZSA-N 1 1 357.385 3.140 20 5 FGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](C[C@H](O)COCc3ccccc3)C2)cc1 ZINC000451553272 501321454 /nfs/dbraw/zinc/32/14/54/501321454.db2.gz YAPROYKCPAEMCW-CTNGQTDRSA-N 1 1 370.449 3.352 20 5 FGBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](C[C@@H](O)COCc3ccccc3)C2)cc1 ZINC000451553276 501322006 /nfs/dbraw/zinc/32/20/06/501322006.db2.gz YAPROYKCPAEMCW-PZJWPPBQSA-N 1 1 370.449 3.352 20 5 FGBDMO CC(C)Oc1cccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 ZINC000453581081 501353058 /nfs/dbraw/zinc/35/30/58/501353058.db2.gz UNPFKAJUMXGVBM-UHFFFAOYSA-N 1 1 356.426 3.099 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(OC)c(OC2CC2)c1 ZINC000598964521 506248514 /nfs/dbraw/zinc/24/85/14/506248514.db2.gz XARQWKJEUCLXMY-UHFFFAOYSA-N 1 1 358.394 3.443 20 5 FGBDMO CO[C@H]1C[C@H]([N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C12CCC2 ZINC000451841100 501383942 /nfs/dbraw/zinc/38/39/42/501383942.db2.gz SXXPAUBJWSRLOB-GJZGRUSLSA-N 1 1 358.398 3.034 20 5 FGBDMO CO[C@H]1C[C@H]([N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C12CCC2 ZINC000451841100 501383944 /nfs/dbraw/zinc/38/39/44/501383944.db2.gz SXXPAUBJWSRLOB-GJZGRUSLSA-N 1 1 358.398 3.034 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000458187180 501387868 /nfs/dbraw/zinc/38/78/68/501387868.db2.gz IGDZJHYVERZKNT-ZDUSSCGKSA-N 1 1 351.472 3.169 20 5 FGBDMO C[C@H](NC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000454312065 501510248 /nfs/dbraw/zinc/51/02/48/501510248.db2.gz CNFJOLZJJZQMBN-CVEARBPZSA-N 1 1 362.474 3.467 20 5 FGBDMO O=C([C@H]1CCCc2[nH+]ccn21)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452863603 501576641 /nfs/dbraw/zinc/57/66/41/501576641.db2.gz VNLLGWHZCLKQCH-NVXWUHKLSA-N 1 1 354.410 3.075 20 5 FGBDMO CCC[N@H+]1CC[C@H](CNC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000454585997 501584793 /nfs/dbraw/zinc/58/47/93/501584793.db2.gz OSIPBQTVKNWNMN-AEFFLSMTSA-N 1 1 374.485 3.216 20 5 FGBDMO C[N@@H+](CCCCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C1CC1 ZINC000457176014 501662049 /nfs/dbraw/zinc/66/20/49/501662049.db2.gz YQPDERWSAZKGTI-UHFFFAOYSA-N 1 1 363.461 3.286 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000459576580 501680146 /nfs/dbraw/zinc/68/01/46/501680146.db2.gz GMMONQHCFNCNJB-GOSISDBHSA-N 1 1 350.415 3.157 20 5 FGBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000459590534 501682905 /nfs/dbraw/zinc/68/29/05/501682905.db2.gz NGDPUASPWPXASO-HKUYNNGSSA-N 1 1 365.433 3.156 20 5 FGBDMO CN(CCOc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474234143 501755438 /nfs/dbraw/zinc/75/54/38/501755438.db2.gz AFVMVKVZZQGYDP-IBGZPJMESA-N 1 1 355.438 3.180 20 5 FGBDMO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000474234143 501755445 /nfs/dbraw/zinc/75/54/45/501755445.db2.gz AFVMVKVZZQGYDP-IBGZPJMESA-N 1 1 355.438 3.180 20 5 FGBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000474234143 501755450 /nfs/dbraw/zinc/75/54/50/501755450.db2.gz AFVMVKVZZQGYDP-IBGZPJMESA-N 1 1 355.438 3.180 20 5 FGBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474293197 501779101 /nfs/dbraw/zinc/77/91/01/501779101.db2.gz PKPSFOFWOJXEPP-LJQANCHMSA-N 1 1 371.412 3.405 20 5 FGBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000474293197 501779104 /nfs/dbraw/zinc/77/91/04/501779104.db2.gz PKPSFOFWOJXEPP-LJQANCHMSA-N 1 1 371.412 3.405 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](Cc4ccc(F)cc4)CC3)nc2c1 ZINC000460351135 501800164 /nfs/dbraw/zinc/80/01/64/501800164.db2.gz WHURANDWZHOBFJ-UHFFFAOYSA-N 1 1 369.400 3.323 20 5 FGBDMO C[NH+](C)Cc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1Cl ZINC000478034531 501861482 /nfs/dbraw/zinc/86/14/82/501861482.db2.gz JCUNOLKJZCLDFZ-UHFFFAOYSA-N 1 1 363.801 3.327 20 5 FGBDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000481739017 501871020 /nfs/dbraw/zinc/87/10/20/501871020.db2.gz HZHDNPIRDYWOAV-CQSZACIVSA-N 1 1 356.426 3.085 20 5 FGBDMO O=C(Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000468004706 501927060 /nfs/dbraw/zinc/92/70/60/501927060.db2.gz MSKCVYIZQDPPQZ-CALCHBBNSA-N 1 1 366.421 3.191 20 5 FGBDMO CCc1ccc(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000481999503 501942951 /nfs/dbraw/zinc/94/29/51/501942951.db2.gz PFPURPFKORKPFR-UHFFFAOYSA-N 1 1 359.401 3.158 20 5 FGBDMO Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000471381634 502006389 /nfs/dbraw/zinc/00/63/89/502006389.db2.gz XFGFBHKPGLNXNR-KDURUIRLSA-N 1 1 365.433 3.107 20 5 FGBDMO Cc1sc(C(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000592879755 506288087 /nfs/dbraw/zinc/28/80/87/506288087.db2.gz CFYQEWWXDVMMDZ-CABCVRRESA-N 1 1 359.451 3.040 20 5 FGBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000461269000 502057365 /nfs/dbraw/zinc/05/73/65/502057365.db2.gz WCWXRCJIYRCKBR-QGZVFWFLSA-N 1 1 362.474 3.120 20 5 FGBDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000486158364 502065834 /nfs/dbraw/zinc/06/58/34/502065834.db2.gz WWCDXXXGWGYOOR-UHFFFAOYSA-N 1 1 369.412 3.138 20 5 FGBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000468482222 502074352 /nfs/dbraw/zinc/07/43/52/502074352.db2.gz AHABQYRYKBBBLB-HNNXBMFYSA-N 1 1 353.850 3.027 20 5 FGBDMO C[C@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[N@H+]1C ZINC000475210566 502100193 /nfs/dbraw/zinc/10/01/93/502100193.db2.gz PRFYUWHSLACUQM-GXSJLCMTSA-N 1 1 360.336 3.218 20 5 FGBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475237699 502106831 /nfs/dbraw/zinc/10/68/31/502106831.db2.gz SKYXWURXFMFSPV-AWEZNQCLSA-N 1 1 374.363 3.418 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@H]2C2CCCC2)cc1[N+](=O)[O-] ZINC000475570651 502215304 /nfs/dbraw/zinc/21/53/04/502215304.db2.gz TYOIXCKMGTWYET-INIZCTEOSA-N 1 1 362.426 3.301 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000475585540 502220232 /nfs/dbraw/zinc/22/02/32/502220232.db2.gz RTXHEFVIMBDBBF-KRWDZBQOSA-N 1 1 370.405 3.266 20 5 FGBDMO Cc1cc(N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000461946771 502247361 /nfs/dbraw/zinc/24/73/61/502247361.db2.gz HVOQPCOLUXSPNR-SOUVJXGZSA-N 1 1 351.422 3.120 20 5 FGBDMO Cc1cc(NC[C@H]2C[N@@H+](C3CC3)CCO2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461947496 502248316 /nfs/dbraw/zinc/24/83/16/502248316.db2.gz JUQINKIZPFUHCO-LBPRGKRZSA-N 1 1 359.348 3.197 20 5 FGBDMO Cc1cc(NC[C@H]2C[N@H+](C3CC3)CCO2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461947496 502248321 /nfs/dbraw/zinc/24/83/21/502248321.db2.gz JUQINKIZPFUHCO-LBPRGKRZSA-N 1 1 359.348 3.197 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CCCC23CCCCC3)cc1[N+](=O)[O-] ZINC000475709657 502261107 /nfs/dbraw/zinc/26/11/07/502261107.db2.gz MRTHUOGDXGYURK-UHFFFAOYSA-N 1 1 362.426 3.445 20 5 FGBDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596193612 506303126 /nfs/dbraw/zinc/30/31/26/506303126.db2.gz HBSSWAUDXFZUKH-GOSISDBHSA-N 1 1 370.453 3.262 20 5 FGBDMO Cn1cc(C[NH2+][C@H](COCc2ccccc2)c2ccccc2)c([N+](=O)[O-])n1 ZINC000602803847 506305801 /nfs/dbraw/zinc/30/58/01/506305801.db2.gz FCEDFZMFPKYOOF-LJQANCHMSA-N 1 1 366.421 3.376 20 5 FGBDMO Cc1cc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000462198479 502345634 /nfs/dbraw/zinc/34/56/34/502345634.db2.gz JGROLRORICEFLL-QAPCUYQASA-N 1 1 353.422 3.154 20 5 FGBDMO C[N@H+]1CC[C@H](CNC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000487227114 502396818 /nfs/dbraw/zinc/39/68/18/502396818.db2.gz HGVBHVGASRHAEC-CQSZACIVSA-N 1 1 371.462 3.428 20 5 FGBDMO C[C@H]([N@H+](Cc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000469443902 502421403 /nfs/dbraw/zinc/42/14/03/502421403.db2.gz DCGFWUDJNPIUJL-YJBOKZPZSA-N 1 1 360.458 3.089 20 5 FGBDMO CCn1nc(C)c([N+](=O)[O-])c1Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000480019544 502448215 /nfs/dbraw/zinc/44/82/15/502448215.db2.gz RXBZIVYGNDCBPX-OKILXGFUSA-N 1 1 373.457 3.472 20 5 FGBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000596213838 506314650 /nfs/dbraw/zinc/31/46/50/506314650.db2.gz HTVXKQXCCHITHM-GFCCVEGCSA-N 1 1 373.375 3.303 20 5 FGBDMO Cn1cc(C[NH2+]C2(c3ccc(OC(F)(F)F)cc3)CC2)c([N+](=O)[O-])n1 ZINC000602830167 506318251 /nfs/dbraw/zinc/31/82/51/506318251.db2.gz ABJQIRLKQXEVBO-UHFFFAOYSA-N 1 1 356.304 3.006 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000462644542 502519171 /nfs/dbraw/zinc/51/91/71/502519171.db2.gz SZRWSRWXUNMDDC-KSSFIOAISA-N 1 1 354.410 3.237 20 5 FGBDMO C[C@@H](C[N@@H+](C)CCn1ccc([N+](=O)[O-])n1)Oc1ccc(Cl)c(Cl)c1 ZINC000469745403 502530507 /nfs/dbraw/zinc/53/05/07/502530507.db2.gz MFWUXVWPUKFHLW-NSHDSACASA-N 1 1 373.240 3.497 20 5 FGBDMO CCOCCC[N@H+]1CC[C@@H](NCc2c(Cl)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000469769915 502539088 /nfs/dbraw/zinc/53/90/88/502539088.db2.gz RNWXPHXSBDYJAC-RHSMWYFYSA-N 1 1 369.893 3.475 20 5 FGBDMO COc1ccc([N+](=O)[O-])c(N2CC[NH+](C/C=C\c3ccccc3)CC2)c1 ZINC000462824468 502588579 /nfs/dbraw/zinc/58/85/79/502588579.db2.gz BXPAFXLYVVDJJY-YVMONPNESA-N 1 1 353.422 3.439 20 5 FGBDMO COCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H]1CCC[C@@H]1C ZINC000488038211 502607515 /nfs/dbraw/zinc/60/75/15/502607515.db2.gz YWVTWIPNCRZKSW-KSSFIOAISA-N 1 1 363.458 3.369 20 5 FGBDMO COc1cc(N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000480578592 502609139 /nfs/dbraw/zinc/60/91/39/502609139.db2.gz KEHUHRITRKWPJJ-IYBDPMFKSA-N 1 1 371.412 3.311 20 5 FGBDMO O=c1[nH]ccc(NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596236978 506324236 /nfs/dbraw/zinc/32/42/36/506324236.db2.gz UFNWDICKDAJBCC-INIZCTEOSA-N 1 1 356.426 3.410 20 5 FGBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000488073965 502619480 /nfs/dbraw/zinc/61/94/80/502619480.db2.gz MQPARTKIHCEQRO-CABCVRRESA-N 1 1 362.474 3.250 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@]4(CCCOC4)C3)n2)cc1 ZINC000477047879 502661308 /nfs/dbraw/zinc/66/13/08/502661308.db2.gz JFNMHNKBBURTBA-SFHVURJKSA-N 1 1 358.398 3.037 20 5 FGBDMO O=C1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CN1c1ccccc1F ZINC000463025145 502664995 /nfs/dbraw/zinc/66/49/95/502664995.db2.gz SBJKRQKVCNFFAT-LBPRGKRZSA-N 1 1 363.776 3.282 20 5 FGBDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470134396 502672854 /nfs/dbraw/zinc/67/28/54/502672854.db2.gz PZEIMMZOBSFWPC-CQSZACIVSA-N 1 1 372.400 3.472 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470134396 502672861 /nfs/dbraw/zinc/67/28/61/502672861.db2.gz PZEIMMZOBSFWPC-CQSZACIVSA-N 1 1 372.400 3.472 20 5 FGBDMO O=C(NC[C@H]1CCCC[N@H+]1C1CC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000470169416 502691235 /nfs/dbraw/zinc/69/12/35/502691235.db2.gz XUVKTMHGFWEQLZ-CQSZACIVSA-N 1 1 371.359 3.360 20 5 FGBDMO COC(=O)c1c(Cl)c(NCCCC[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000596261437 506332554 /nfs/dbraw/zinc/33/25/54/506332554.db2.gz UGOGQXHHJZTINQ-UHFFFAOYSA-N 1 1 355.822 3.321 20 5 FGBDMO CCOc1ccc([C@H](C)NC[C@@]2([NH+](C)C)CCSC2)cc1[N+](=O)[O-] ZINC000504895569 502819747 /nfs/dbraw/zinc/81/97/47/502819747.db2.gz USWGGRKAPYWVCF-GUYCJALGSA-N 1 1 353.488 3.081 20 5 FGBDMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509264876 502862510 /nfs/dbraw/zinc/86/25/10/502862510.db2.gz SVWKDSHZXSUVNK-QWHCGFSZSA-N 1 1 369.412 3.390 20 5 FGBDMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509264876 502862514 /nfs/dbraw/zinc/86/25/14/502862514.db2.gz SVWKDSHZXSUVNK-QWHCGFSZSA-N 1 1 369.412 3.390 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000505804571 502989192 /nfs/dbraw/zinc/98/91/92/502989192.db2.gz CGSSEKJDLKYDRA-UHFFFAOYSA-N 1 1 363.483 3.265 20 5 FGBDMO CCC[N@@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])CC(C)(C)O ZINC000513732887 503011770 /nfs/dbraw/zinc/01/17/70/503011770.db2.gz LIQDOIKGDTWXKM-UHFFFAOYSA-N 1 1 362.373 3.188 20 5 FGBDMO C[C@@H]1C[C@H](CCNC(=O)c2ccc([N+](=O)[O-])o2)C[N@H+]1Cc1ccccc1 ZINC000510083967 503045520 /nfs/dbraw/zinc/04/55/20/503045520.db2.gz IYESAYKQMMYZOV-ZBFHGGJFSA-N 1 1 357.410 3.218 20 5 FGBDMO C[C@H]1C[C@H](CCNC(=O)c2ccc([N+](=O)[O-])o2)C[N@H+]1Cc1ccccc1 ZINC000510083966 503045599 /nfs/dbraw/zinc/04/55/99/503045599.db2.gz IYESAYKQMMYZOV-HOCLYGCPSA-N 1 1 357.410 3.218 20 5 FGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H](n3ncc4ccccc43)C2)c1 ZINC000510415529 503110232 /nfs/dbraw/zinc/11/02/32/503110232.db2.gz MLKFILOICZLORK-KRWDZBQOSA-N 1 1 352.394 3.270 20 5 FGBDMO C[C@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000506684541 503155655 /nfs/dbraw/zinc/15/56/55/503155655.db2.gz YJBFIQZJSRDKQN-HNNXBMFYSA-N 1 1 369.421 3.037 20 5 FGBDMO C[C@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000506684541 503155656 /nfs/dbraw/zinc/15/56/56/503155656.db2.gz YJBFIQZJSRDKQN-HNNXBMFYSA-N 1 1 369.421 3.037 20 5 FGBDMO C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C1=CC[N@@H+](C)CC1 ZINC000510795800 503194753 /nfs/dbraw/zinc/19/47/53/503194753.db2.gz SEAAXTGLNOAIML-LBPRGKRZSA-N 1 1 372.450 3.099 20 5 FGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC=C(c2ccnn2C)CC1 ZINC000511073135 503248149 /nfs/dbraw/zinc/24/81/49/503248149.db2.gz OIVMLIKMCVIRFD-UHFFFAOYSA-N 1 1 356.426 3.405 20 5 FGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC=C(c2ccnn2C)CC1 ZINC000511073135 503248151 /nfs/dbraw/zinc/24/81/51/503248151.db2.gz OIVMLIKMCVIRFD-UHFFFAOYSA-N 1 1 356.426 3.405 20 5 FGBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)NCc1ccc(Cl)cc1 ZINC000511091204 503251883 /nfs/dbraw/zinc/25/18/83/503251883.db2.gz OYWJNFKLNMNNHX-UHFFFAOYSA-N 1 1 361.829 3.039 20 5 FGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)NCc1ccc(Cl)cc1 ZINC000511091204 503251887 /nfs/dbraw/zinc/25/18/87/503251887.db2.gz OYWJNFKLNMNNHX-UHFFFAOYSA-N 1 1 361.829 3.039 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000593052409 506360670 /nfs/dbraw/zinc/36/06/70/506360670.db2.gz RBHXNRKTCPTAQX-UHFFFAOYSA-N 1 1 365.389 3.075 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000593052409 506360676 /nfs/dbraw/zinc/36/06/76/506360676.db2.gz RBHXNRKTCPTAQX-UHFFFAOYSA-N 1 1 365.389 3.075 20 5 FGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000511121431 503261131 /nfs/dbraw/zinc/26/11/31/503261131.db2.gz GDWWFARGEYTETH-UHFFFAOYSA-N 1 1 361.486 3.354 20 5 FGBDMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000491204617 503286488 /nfs/dbraw/zinc/28/64/88/503286488.db2.gz BIWUNEKZMREAMW-DZGCQCFKSA-N 1 1 351.422 3.251 20 5 FGBDMO Cc1ncc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000602958413 506367021 /nfs/dbraw/zinc/36/70/21/506367021.db2.gz XMGWAFYFOMWRCZ-MRVPVSSYSA-N 1 1 354.819 3.302 20 5 FGBDMO CCCC[N@H+]1CCCC[C@@H]1CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000502904229 503303838 /nfs/dbraw/zinc/30/38/38/503303838.db2.gz UXOWPEQMCWKFBV-CQSZACIVSA-N 1 1 369.487 3.065 20 5 FGBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000503007294 503322673 /nfs/dbraw/zinc/32/26/73/503322673.db2.gz CUFYSZYCOWQIIU-MRXNPFEDSA-N 1 1 362.474 3.168 20 5 FGBDMO CC[N@@H+](CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)CCC(F)(F)F ZINC000491713620 503327786 /nfs/dbraw/zinc/32/77/86/503327786.db2.gz ALKSELLITRAZHE-UHFFFAOYSA-N 1 1 374.363 3.166 20 5 FGBDMO CCOc1cc(CN2CC[NH+](Cc3cccc(O)c3)CC2)ccc1[N+](=O)[O-] ZINC000492749212 503383721 /nfs/dbraw/zinc/38/37/21/503383721.db2.gz NYRQCAJKZAXULE-UHFFFAOYSA-N 1 1 371.437 3.017 20 5 FGBDMO COc1cc(C[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)ccc1[N+](=O)[O-] ZINC000492911796 503393353 /nfs/dbraw/zinc/39/33/53/503393353.db2.gz MWBAZTBHKKWBIH-CABCVRRESA-N 1 1 352.456 3.090 20 5 FGBDMO CCN(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](CC)C1 ZINC000596357910 506370699 /nfs/dbraw/zinc/37/06/99/506370699.db2.gz TVIUMMQIFAPOKE-SFHVURJKSA-N 1 1 362.474 3.043 20 5 FGBDMO O=[N+]([O-])c1ccccc1CN1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000593069080 506373281 /nfs/dbraw/zinc/37/32/81/506373281.db2.gz RRDVHFPRRDBUAW-NHCUHLMSSA-N 1 1 367.449 3.070 20 5 FGBDMO Cc1c(NC(=O)CC[N@@H+]2CCCCC[C@@H]2C[C@H](C)O)cccc1[N+](=O)[O-] ZINC000512427468 503547068 /nfs/dbraw/zinc/54/70/68/503547068.db2.gz LZAKHTBEBLSTCL-GOEBONIOSA-N 1 1 363.458 3.247 20 5 FGBDMO O=C(CC[N@@H+](C[C@H]1CCCO1)C1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000500157777 503567367 /nfs/dbraw/zinc/56/73/67/503567367.db2.gz VJISMMUTHIGHEW-MRXNPFEDSA-N 1 1 361.442 3.347 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000504695174 503606170 /nfs/dbraw/zinc/60/61/70/503606170.db2.gz MXTVITRQUNXKQK-HZPDHXFCSA-N 1 1 362.813 3.435 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000504695174 503606172 /nfs/dbraw/zinc/60/61/72/503606172.db2.gz MXTVITRQUNXKQK-HZPDHXFCSA-N 1 1 362.813 3.435 20 5 FGBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000500441593 503626333 /nfs/dbraw/zinc/62/63/33/503626333.db2.gz OKMXPVZHCZXJAJ-CVEARBPZSA-N 1 1 353.422 3.330 20 5 FGBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000500441593 503626336 /nfs/dbraw/zinc/62/63/36/503626336.db2.gz OKMXPVZHCZXJAJ-CVEARBPZSA-N 1 1 353.422 3.330 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@H+](Cc2cnc(N3CCCC3)nc2)C2CC2)cc1 ZINC000536638542 503654518 /nfs/dbraw/zinc/65/45/18/503654518.db2.gz BKGVHTNGBAYTPN-UHFFFAOYSA-N 1 1 353.426 3.150 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@@H+](Cc2cnc(N3CCCC3)nc2)C2CC2)cc1 ZINC000536638542 503654526 /nfs/dbraw/zinc/65/45/26/503654526.db2.gz BKGVHTNGBAYTPN-UHFFFAOYSA-N 1 1 353.426 3.150 20 5 FGBDMO CCc1ccc([C@@H](N[C@@H]2CC[N@@H+](CCOC)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543402656 503755375 /nfs/dbraw/zinc/75/53/75/503755375.db2.gz LXNJCUOSEZSFBR-UZLBHIALSA-N 1 1 373.453 3.150 20 5 FGBDMO CCc1ccc([C@@H]([NH2+][C@@H]2CCN(CCOC)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543402656 503755386 /nfs/dbraw/zinc/75/53/86/503755386.db2.gz LXNJCUOSEZSFBR-UZLBHIALSA-N 1 1 373.453 3.150 20 5 FGBDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000537025747 503780828 /nfs/dbraw/zinc/78/08/28/503780828.db2.gz HYCITLGCCAGURC-CVEARBPZSA-N 1 1 362.474 3.466 20 5 FGBDMO O=C1[C@@H]([N@H+]2CC[C@H](Cc3ccccc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000533292782 503795904 /nfs/dbraw/zinc/79/59/04/503795904.db2.gz VZRREVPNFGAFAP-XLIONFOSSA-N 1 1 365.433 3.265 20 5 FGBDMO C[C@@H]1CC[N@H+](CC(=O)Nc2cc(N3CC[C@H](C)[C@@H]3C)ccc2[N+](=O)[O-])[C@@H]1C ZINC000533311014 503804138 /nfs/dbraw/zinc/80/41/38/503804138.db2.gz XITYDYYXJMUGQG-QXSJWSMHSA-N 1 1 374.485 3.498 20 5 FGBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000540546654 503812676 /nfs/dbraw/zinc/81/26/76/503812676.db2.gz BPUFFFCWIHDING-UHFFFAOYSA-N 1 1 363.458 3.330 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000543806802 503899790 /nfs/dbraw/zinc/89/97/90/503899790.db2.gz BWNXOQKQYZXQFV-BIENJYKASA-N 1 1 361.442 3.443 20 5 FGBDMO CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1NC)[N@@H+](C)Cc1ccccc1 ZINC000518378954 503967870 /nfs/dbraw/zinc/96/78/70/503967870.db2.gz DVKJOFHEVWJGER-GOSISDBHSA-N 1 1 356.426 3.486 20 5 FGBDMO COc1ccc2c(c1)C[C@@H](C)[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]2C ZINC000541020830 503976680 /nfs/dbraw/zinc/97/66/80/503976680.db2.gz JWIMZIQKJCXEEB-CHWSQXEVSA-N 1 1 369.421 3.210 20 5 FGBDMO COc1ccc2c(c1)C[C@@H](C)[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]2C ZINC000541020830 503976684 /nfs/dbraw/zinc/97/66/84/503976684.db2.gz JWIMZIQKJCXEEB-CHWSQXEVSA-N 1 1 369.421 3.210 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000541022032 503977444 /nfs/dbraw/zinc/97/74/44/503977444.db2.gz SKFCTCOQAYYUNN-KUHUBIRLSA-N 1 1 361.442 3.444 20 5 FGBDMO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)O1 ZINC000541069015 503994338 /nfs/dbraw/zinc/99/43/38/503994338.db2.gz QQVOJMWOGLXWII-CPUCHLNUSA-N 1 1 367.877 3.322 20 5 FGBDMO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)O1 ZINC000541069015 503994341 /nfs/dbraw/zinc/99/43/41/503994341.db2.gz QQVOJMWOGLXWII-CPUCHLNUSA-N 1 1 367.877 3.322 20 5 FGBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000544144075 504027095 /nfs/dbraw/zinc/02/70/95/504027095.db2.gz UKUXRQFSMGFUPX-NEWSRXKRSA-N 1 1 370.449 3.460 20 5 FGBDMO CC[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000541175179 504032448 /nfs/dbraw/zinc/03/24/48/504032448.db2.gz ZOFUPKDQJIBAEV-QGZVFWFLSA-N 1 1 370.453 3.135 20 5 FGBDMO Cc1ccc([C@H]2CC[N@H+](CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000541387448 504112309 /nfs/dbraw/zinc/11/23/09/504112309.db2.gz SIKYTTDQIFWWFI-KRWDZBQOSA-N 1 1 374.462 3.166 20 5 FGBDMO Cc1ccc([C@H]2CC[N@@H+](CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000541387448 504112314 /nfs/dbraw/zinc/11/23/14/504112314.db2.gz SIKYTTDQIFWWFI-KRWDZBQOSA-N 1 1 374.462 3.166 20 5 FGBDMO Cc1cc([NH+]2CCCC2)ccc1NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000519141446 504148961 /nfs/dbraw/zinc/14/89/61/504148961.db2.gz HEINQGJTGBFUPW-KRWDZBQOSA-N 1 1 371.437 3.355 20 5 FGBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000538228961 504170071 /nfs/dbraw/zinc/17/00/71/504170071.db2.gz BZQLHDWABTVATD-UHFFFAOYSA-N 1 1 354.410 3.187 20 5 FGBDMO CCC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000538336995 504212321 /nfs/dbraw/zinc/21/23/21/504212321.db2.gz GBGAPMXPFRFKTB-MRXNPFEDSA-N 1 1 356.426 3.050 20 5 FGBDMO Cc1ccnc([C@@H]2CC[N@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)c1 ZINC000519614867 504274550 /nfs/dbraw/zinc/27/45/50/504274550.db2.gz RNUVBDNFWOSCIJ-OAHLLOKOSA-N 1 1 365.393 3.338 20 5 FGBDMO Cc1ccnc([C@@H]2CC[N@@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)c1 ZINC000519614867 504274555 /nfs/dbraw/zinc/27/45/55/504274555.db2.gz RNUVBDNFWOSCIJ-OAHLLOKOSA-N 1 1 365.393 3.338 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000542130907 504374694 /nfs/dbraw/zinc/37/46/94/504374694.db2.gz YVGBDILXZWEVSB-UHFFFAOYSA-N 1 1 370.405 3.311 20 5 FGBDMO CCOc1cccc(NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000545163774 504381388 /nfs/dbraw/zinc/38/13/88/504381388.db2.gz XMYXPBVCUZWYES-GASCZTMLSA-N 1 1 351.447 3.295 20 5 FGBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCCc2ccccc21 ZINC000542209673 504406749 /nfs/dbraw/zinc/40/67/49/504406749.db2.gz LGPFJGSFEJPJBW-AEFFLSMTSA-N 1 1 356.422 3.344 20 5 FGBDMO Cc1ccc(C[C@@H](C)[N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000542280167 504438053 /nfs/dbraw/zinc/43/80/53/504438053.db2.gz MVFAXXSFLPWBOK-AEFFLSMTSA-N 1 1 358.438 3.206 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531878541 504457215 /nfs/dbraw/zinc/45/72/15/504457215.db2.gz IYNWHWMJWWEHPI-OAHLLOKOSA-N 1 1 368.437 3.294 20 5 FGBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000542354196 504459839 /nfs/dbraw/zinc/45/98/39/504459839.db2.gz WOJZZFGTANKBLU-ZDUSSCGKSA-N 1 1 371.890 3.331 20 5 FGBDMO CCc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000535554181 504469223 /nfs/dbraw/zinc/46/92/23/504469223.db2.gz RQOGUXWRCFEHDD-MJGOQNOKSA-N 1 1 353.422 3.332 20 5 FGBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@]2(C)CO)cc1OC ZINC000545397663 504472940 /nfs/dbraw/zinc/47/29/40/504472940.db2.gz RZALWDPALIVQEQ-KUHUBIRLSA-N 1 1 366.458 3.375 20 5 FGBDMO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000548630593 504502950 /nfs/dbraw/zinc/50/29/50/504502950.db2.gz WQGIAAGSGULPEC-IBGZPJMESA-N 1 1 356.422 3.244 20 5 FGBDMO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000548630593 504502953 /nfs/dbraw/zinc/50/29/53/504502953.db2.gz WQGIAAGSGULPEC-IBGZPJMESA-N 1 1 356.422 3.244 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000539247080 504511748 /nfs/dbraw/zinc/51/17/48/504511748.db2.gz UUARFSQGMMILSF-JKSUJKDBSA-N 1 1 362.474 3.323 20 5 FGBDMO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000548935282 504627995 /nfs/dbraw/zinc/62/79/95/504627995.db2.gz IBMXMGSKKCXLDW-HNNXBMFYSA-N 1 1 373.428 3.428 20 5 FGBDMO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000548935282 504628000 /nfs/dbraw/zinc/62/80/00/504628000.db2.gz IBMXMGSKKCXLDW-HNNXBMFYSA-N 1 1 373.428 3.428 20 5 FGBDMO O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)c1ccc([N+](=O)[O-])s1 ZINC000521037092 504634520 /nfs/dbraw/zinc/63/45/20/504634520.db2.gz DBNPGGOFMWPRQT-CQSZACIVSA-N 1 1 351.472 3.431 20 5 FGBDMO CC(C)C[N@H+](Cc1ccccc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000521194401 504675177 /nfs/dbraw/zinc/67/51/77/504675177.db2.gz OUHQRVNQWXFZPW-IBGZPJMESA-N 1 1 358.438 3.493 20 5 FGBDMO C[C@H](C1CCCCC1)[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000549158920 504706572 /nfs/dbraw/zinc/70/65/72/504706572.db2.gz FVXYXJKERRGKRF-GFCCVEGCSA-N 1 1 363.414 3.163 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000543141005 504740294 /nfs/dbraw/zinc/74/02/94/504740294.db2.gz AZPMKLAYUFAJIF-ROUUACIJSA-N 1 1 374.412 3.181 20 5 FGBDMO CCC[N@@H+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccc(Cl)cc1 ZINC000553028936 504808799 /nfs/dbraw/zinc/80/87/99/504808799.db2.gz UCNUVCZJQOBIOT-HNNXBMFYSA-N 1 1 364.833 3.389 20 5 FGBDMO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4cc([N+](=O)[O-])ccc4C(F)(F)F)[C@H]1[C@H]3C2 ZINC000549708813 504877844 /nfs/dbraw/zinc/87/78/44/504877844.db2.gz CHEHGXDIIGBXKY-VSGLDEAGSA-N 1 1 356.344 3.469 20 5 FGBDMO CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549711895 504878356 /nfs/dbraw/zinc/87/83/56/504878356.db2.gz WMVFCPWGKCBZNB-CYBMUJFWSA-N 1 1 373.375 3.494 20 5 FGBDMO Cc1ccc2c(c1)C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)(C)C2 ZINC000550382246 505030974 /nfs/dbraw/zinc/03/09/74/505030974.db2.gz NBEKABYHNMRNGX-UHFFFAOYSA-N 1 1 353.422 3.339 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCOC[C@@H]1CC1CCC1 ZINC000550525073 505058254 /nfs/dbraw/zinc/05/82/54/505058254.db2.gz VDCQYBZHZIKZBQ-KRWDZBQOSA-N 1 1 361.442 3.123 20 5 FGBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000554126474 505098010 /nfs/dbraw/zinc/09/80/10/505098010.db2.gz CBRCOPFJLKGJEG-DAYGRLMNSA-N 1 1 359.470 3.061 20 5 FGBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccnc(N)c2[N+](=O)[O-])cc1 ZINC000566439710 505176598 /nfs/dbraw/zinc/17/65/98/505176598.db2.gz LOFGGIRLRQRQMI-ZDUSSCGKSA-N 1 1 369.425 3.029 20 5 FGBDMO COCCOCc1ccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000558400282 505377102 /nfs/dbraw/zinc/37/71/02/505377102.db2.gz JIMNJDDUPCHQQK-UHFFFAOYSA-N 1 1 356.422 3.316 20 5 FGBDMO COCCOCc1ccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000558400282 505377104 /nfs/dbraw/zinc/37/71/04/505377104.db2.gz JIMNJDDUPCHQQK-UHFFFAOYSA-N 1 1 356.422 3.316 20 5 FGBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000561746754 505425287 /nfs/dbraw/zinc/42/52/87/505425287.db2.gz NCQVRVSAQNBRAK-MPGHIAIKSA-N 1 1 359.470 3.061 20 5 FGBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000558581216 505429751 /nfs/dbraw/zinc/42/97/51/505429751.db2.gz HSUHIGKHTDLPST-OLZOCXBDSA-N 1 1 371.865 3.252 20 5 FGBDMO CC(C)CC[C@@](C)(O)C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000552247296 505439890 /nfs/dbraw/zinc/43/98/90/505439890.db2.gz JFNKULVQWFMMIJ-IEBWSBKVSA-N 1 1 360.458 3.195 20 5 FGBDMO CO[C@]1(C)C[C@@H]([NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000552248503 505440764 /nfs/dbraw/zinc/44/07/64/505440764.db2.gz JLWDAGVLMFSPBI-GPMSIDNRSA-N 1 1 358.442 3.211 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000561866679 505455355 /nfs/dbraw/zinc/45/53/55/505455355.db2.gz IXBDBJYIQDRRFG-QGZVFWFLSA-N 1 1 370.409 3.164 20 5 FGBDMO COc1ccc(NC(=O)C[N@@H+]2CCc3ccccc3[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000593095505 506390874 /nfs/dbraw/zinc/39/08/74/506390874.db2.gz NMEJMLCRBJCFEL-CQSZACIVSA-N 1 1 369.421 3.204 20 5 FGBDMO COc1ccc(NC(=O)C[N@H+]2CCc3ccccc3[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000593095505 506390881 /nfs/dbraw/zinc/39/08/81/506390881.db2.gz NMEJMLCRBJCFEL-CQSZACIVSA-N 1 1 369.421 3.204 20 5 FGBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593103590 506394824 /nfs/dbraw/zinc/39/48/24/506394824.db2.gz SHZUWVGYNKQIAV-UHFFFAOYSA-N 1 1 373.428 3.303 20 5 FGBDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596461238 506416951 /nfs/dbraw/zinc/41/69/51/506416951.db2.gz FCHUOVMUUORHKU-OAHLLOKOSA-N 1 1 360.845 3.396 20 5 FGBDMO CC1(C)C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000612107949 506438689 /nfs/dbraw/zinc/43/86/89/506438689.db2.gz GVRCNJRUFZWXMG-LPHOPBHVSA-N 1 1 356.422 3.418 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc(CNc2c(Cl)cncc2[N+](=O)[O-])cc1F ZINC000589111274 506445088 /nfs/dbraw/zinc/44/50/88/506445088.db2.gz UPTKSNCKYKGIJC-UHFFFAOYSA-N 1 1 361.764 3.310 20 5 FGBDMO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)nc1 ZINC000596524994 506446454 /nfs/dbraw/zinc/44/64/54/506446454.db2.gz GWDMROHZZMSQLQ-QGZVFWFLSA-N 1 1 352.438 3.126 20 5 FGBDMO O=[N+]([O-])c1cc(F)ccc1Cn1cc(C[NH2+][C@@H]2CCc3ccccc32)nn1 ZINC000603222755 506461405 /nfs/dbraw/zinc/46/14/05/506461405.db2.gz CVNOFELVMWUYHR-GOSISDBHSA-N 1 1 367.384 3.151 20 5 FGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000612174724 506472488 /nfs/dbraw/zinc/47/24/88/506472488.db2.gz NPZVUNWLOWSMKM-FZKQIMNGSA-N 1 1 373.384 3.214 20 5 FGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000612174724 506472495 /nfs/dbraw/zinc/47/24/95/506472495.db2.gz NPZVUNWLOWSMKM-FZKQIMNGSA-N 1 1 373.384 3.214 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+](Cc1ccc(O)cc1)CC1CC1)OCCO2 ZINC000589196198 506478920 /nfs/dbraw/zinc/47/89/20/506478920.db2.gz JNUGPTSGUSBKHO-UHFFFAOYSA-N 1 1 370.405 3.484 20 5 FGBDMO C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000593227514 506480871 /nfs/dbraw/zinc/48/08/71/506480871.db2.gz UQPBXGJGDDMAED-SOUVJXGZSA-N 1 1 357.410 3.311 20 5 FGBDMO C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000593227514 506480876 /nfs/dbraw/zinc/48/08/76/506480876.db2.gz UQPBXGJGDDMAED-SOUVJXGZSA-N 1 1 357.410 3.311 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@H](C[C@H]3CCOC3)C1)OCCO2 ZINC000589200137 506481019 /nfs/dbraw/zinc/48/10/19/506481019.db2.gz SJOXPOHXFNKQTG-HUUCEWRRSA-N 1 1 362.426 3.005 20 5 FGBDMO COC(=O)c1cnc(C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)s1 ZINC000599553727 506497150 /nfs/dbraw/zinc/49/71/50/506497150.db2.gz ZJMCPJKEGYLFFH-UHFFFAOYSA-N 1 1 361.423 3.218 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000596634489 506501472 /nfs/dbraw/zinc/50/14/72/506501472.db2.gz HKDBWZADELEBGS-QGZVFWFLSA-N 1 1 354.410 3.299 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599593300 506519197 /nfs/dbraw/zinc/51/91/97/506519197.db2.gz ASSASQSHXDPGLH-CZUORRHYSA-N 1 1 364.442 3.403 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599593300 506519206 /nfs/dbraw/zinc/51/92/06/506519206.db2.gz ASSASQSHXDPGLH-CZUORRHYSA-N 1 1 364.442 3.403 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000596678925 506529153 /nfs/dbraw/zinc/52/91/53/506529153.db2.gz GJCKIMIGOJHVBQ-HNNXBMFYSA-N 1 1 360.458 3.142 20 5 FGBDMO C[C@H](C(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000593324571 506542156 /nfs/dbraw/zinc/54/21/56/506542156.db2.gz XJEBPODMNQTEAG-OXJNMPFZSA-N 1 1 367.449 3.084 20 5 FGBDMO C[C@H](C(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000593324571 506542163 /nfs/dbraw/zinc/54/21/63/506542163.db2.gz XJEBPODMNQTEAG-OXJNMPFZSA-N 1 1 367.449 3.084 20 5 FGBDMO CCOc1cc(C[N@@H+]2[C@H](C)C[C@@H](C(=O)OC)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000599695275 506586030 /nfs/dbraw/zinc/58/60/30/506586030.db2.gz KXKUSQYXQAFOBQ-AGGWBTHJSA-N 1 1 350.415 3.156 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000603642919 506586774 /nfs/dbraw/zinc/58/67/74/506586774.db2.gz JVDQVZWGDREYCK-UHFFFAOYSA-N 1 1 372.425 3.247 20 5 FGBDMO COc1ccc([C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C2CC2)cn1 ZINC000599702733 506590656 /nfs/dbraw/zinc/59/06/56/506590656.db2.gz YMNFZEWGKRADSX-SFHVURJKSA-N 1 1 354.366 3.381 20 5 FGBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cc([N+](=O)[O-])cn3C)cc2)C1 ZINC000603668757 506592726 /nfs/dbraw/zinc/59/27/26/506592726.db2.gz OPWFFOXQQTZOHJ-CQSZACIVSA-N 1 1 356.426 3.418 20 5 FGBDMO COC(=O)[C@@H]1C[C@@H](C)[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000599709208 506596273 /nfs/dbraw/zinc/59/62/73/506596273.db2.gz QAZYJOQSOQQHTO-QDMKHBRRSA-N 1 1 350.415 3.026 20 5 FGBDMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])c4ccncc34)CC[C@H]21 ZINC000599829192 506662182 /nfs/dbraw/zinc/66/21/82/506662182.db2.gz AUEDLIFCWTVVQT-SUMWQHHRSA-N 1 1 369.425 3.091 20 5 FGBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)cc1 ZINC000604013593 506685888 /nfs/dbraw/zinc/68/58/88/506685888.db2.gz SOFTVINLKXJVPY-HDICACEKSA-N 1 1 367.449 3.432 20 5 FGBDMO C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000593772473 506770607 /nfs/dbraw/zinc/77/06/07/506770607.db2.gz QIQUZWXVSHAJMK-SOUVJXGZSA-N 1 1 356.426 3.046 20 5 FGBDMO C[N@H+]1CCCC12CCN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC2 ZINC000612850041 506781146 /nfs/dbraw/zinc/78/11/46/506781146.db2.gz CSWRCRJIECTAHN-UHFFFAOYSA-N 1 1 371.359 3.314 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000609157785 506797265 /nfs/dbraw/zinc/79/72/65/506797265.db2.gz WXGIPMSGGVVNKN-CZUORRHYSA-N 1 1 368.397 3.239 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000609157785 506797274 /nfs/dbraw/zinc/79/72/74/506797274.db2.gz WXGIPMSGGVVNKN-CZUORRHYSA-N 1 1 368.397 3.239 20 5 FGBDMO O=C1CC[C@@H]2C[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)CC[C@@H]2N1 ZINC000597205345 506833739 /nfs/dbraw/zinc/83/37/39/506833739.db2.gz JFQRYXONWNOOOK-PBHICJAKSA-N 1 1 371.462 3.424 20 5 FGBDMO CN(C(=O)C[N@@H+]1CCC[C@H]1c1ccc(O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000604484228 506845543 /nfs/dbraw/zinc/84/55/43/506845543.db2.gz GDPCMDYDAGTTGV-SFHVURJKSA-N 1 1 355.394 3.100 20 5 FGBDMO CN(C(=O)C[N@H+]1CCC[C@H]1c1ccc(O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000604484228 506845546 /nfs/dbraw/zinc/84/55/46/506845546.db2.gz GDPCMDYDAGTTGV-SFHVURJKSA-N 1 1 355.394 3.100 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@H]([C@@H]3CCCCO3)C1)OCCO2 ZINC000597225701 506846349 /nfs/dbraw/zinc/84/63/49/506846349.db2.gz SRANJMPOPNIOAF-YOEHRIQHSA-N 1 1 362.426 3.147 20 5 FGBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000600228371 506859406 /nfs/dbraw/zinc/85/94/06/506859406.db2.gz KLEKOGSVIVCBQF-MRXNPFEDSA-N 1 1 357.410 3.478 20 5 FGBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000600228510 506860217 /nfs/dbraw/zinc/86/02/17/506860217.db2.gz CJAWVPYQPJARBH-CYBMUJFWSA-N 1 1 351.834 3.385 20 5 FGBDMO COc1cc(C[N@@H+](C)C2(CO)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000597255994 506866042 /nfs/dbraw/zinc/86/60/42/506866042.db2.gz RBVQZIFZZQTQOF-UHFFFAOYSA-N 1 1 372.421 3.139 20 5 FGBDMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000604572302 506878002 /nfs/dbraw/zinc/87/80/02/506878002.db2.gz UELVRTORZDGFEY-UHFFFAOYSA-N 1 1 350.378 3.327 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](c2ccco2)C1 ZINC000609540179 506914736 /nfs/dbraw/zinc/91/47/36/506914736.db2.gz SCFXXKZEAJJFPL-ZDUSSCGKSA-N 1 1 359.382 3.015 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@@H](OC(C)C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000583691276 506920167 /nfs/dbraw/zinc/92/01/67/506920167.db2.gz ITELSKKPZVUADA-CYBMUJFWSA-N 1 1 374.384 3.247 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@H](OC(C)C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000583691276 506920170 /nfs/dbraw/zinc/92/01/70/506920170.db2.gz ITELSKKPZVUADA-CYBMUJFWSA-N 1 1 374.384 3.247 20 5 FGBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000600467583 506963029 /nfs/dbraw/zinc/96/30/29/506963029.db2.gz ALPGRWAVHBPCLA-CYBMUJFWSA-N 1 1 371.359 3.360 20 5 FGBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000609732308 506983127 /nfs/dbraw/zinc/98/31/27/506983127.db2.gz PHDJOMJANLPYOV-CQSZACIVSA-N 1 1 369.849 3.008 20 5 FGBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000594195284 507000278 /nfs/dbraw/zinc/00/02/78/507000278.db2.gz DPHADWAZXNMVFW-GJZGRUSLSA-N 1 1 371.359 3.360 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)N(C)Cc2cc(C(C)(C)C)[nH]n2)cccc1[N+](=O)[O-] ZINC000583851648 507007935 /nfs/dbraw/zinc/00/79/35/507007935.db2.gz GKJQXLUFBRVOOO-CYBMUJFWSA-N 1 1 373.457 3.383 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCS[C@H](c3ccccc3)C2)c1 ZINC000609800752 507008074 /nfs/dbraw/zinc/00/80/74/507008074.db2.gz RQPZRDWEFNDFRJ-HKUYNNGSSA-N 1 1 374.462 3.125 20 5 FGBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000609874569 507033992 /nfs/dbraw/zinc/03/39/92/507033992.db2.gz MRRQBACZIQLMPI-GFCCVEGCSA-N 1 1 353.850 3.489 20 5 FGBDMO CC(C)(NC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccccc1[N+](=O)[O-] ZINC000594283619 507061007 /nfs/dbraw/zinc/06/10/07/507061007.db2.gz LQVHGTJHUIWECJ-NVXWUHKLSA-N 1 1 360.458 3.146 20 5 FGBDMO CC(C)(NC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccccc1[N+](=O)[O-] ZINC000594283621 507062064 /nfs/dbraw/zinc/06/20/64/507062064.db2.gz LQVHGTJHUIWECJ-WBVHZDCISA-N 1 1 360.458 3.146 20 5 FGBDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])C2 ZINC000597711960 507070244 /nfs/dbraw/zinc/07/02/44/507070244.db2.gz ZEOZWLRCTHQTMC-INIZCTEOSA-N 1 1 371.359 3.172 20 5 FGBDMO C[C@@]12CCC[N@H+]1C[C@H](c1noc(-c3ccc([N+](=O)[O-])cc3Cl)n1)OC2 ZINC000584020321 507105978 /nfs/dbraw/zinc/10/59/78/507105978.db2.gz XGQLRBRTZDEKHE-CJNGLKHVSA-N 1 1 364.789 3.224 20 5 FGBDMO Cc1ccc(Sc2ccc(CNC[C@H]3COCC[NH2+]3)cc2[N+](=O)[O-])cc1 ZINC000600777603 507116495 /nfs/dbraw/zinc/11/64/95/507116495.db2.gz VHKRHALSFJELHP-INIZCTEOSA-N 1 1 373.478 3.132 20 5 FGBDMO CC[C@@H](c1ccc(-c2cc([N+](=O)[O-])ccc2CO)cc1)[NH+]1CCNCC1 ZINC000600781504 507117782 /nfs/dbraw/zinc/11/77/82/507117782.db2.gz DAWAERNFBDGXOP-FQEVSTJZSA-N 1 1 355.438 3.110 20 5 FGBDMO CC[C@H](c1ccc(-c2cc([N+](=O)[O-])ccc2CCO)cc1)[NH+]1CCNCC1 ZINC000600791813 507124879 /nfs/dbraw/zinc/12/48/79/507124879.db2.gz HXUXXIIRJRHKHA-OAQYLSRUSA-N 1 1 369.465 3.153 20 5 FGBDMO C[C@H](Cc1ccccn1)[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000594513195 507163234 /nfs/dbraw/zinc/16/32/34/507163234.db2.gz BYWOIGDCWSRCFN-RDTXWAMCSA-N 1 1 351.410 3.034 20 5 FGBDMO Cc1cccc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000610296614 507183153 /nfs/dbraw/zinc/18/31/53/507183153.db2.gz HXZOGWCBKZEEDL-QGZVFWFLSA-N 1 1 353.422 3.250 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000610296456 507183295 /nfs/dbraw/zinc/18/32/95/507183295.db2.gz DFIDNYCYMWIWHC-QGZVFWFLSA-N 1 1 357.385 3.080 20 5 FGBDMO Cc1ccc(CNc2ccc([N+](=O)[O-])c(OC(C)C)n2)c(N2CCCC2)[nH+]1 ZINC000594574694 507192176 /nfs/dbraw/zinc/19/21/76/507192176.db2.gz HRPVAYDLBODWHH-UHFFFAOYSA-N 1 1 371.441 3.115 20 5 FGBDMO COc1ccc(C[NH2+][C@@H](CO)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000601136726 507274330 /nfs/dbraw/zinc/27/43/30/507274330.db2.gz KEMHFNRRAKYLKY-AWEZNQCLSA-N 1 1 370.327 3.445 20 5 FGBDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000598195584 507308143 /nfs/dbraw/zinc/30/81/43/507308143.db2.gz OVBDPSMLGKVIDS-SFHVURJKSA-N 1 1 371.412 3.123 20 5 FGBDMO C[C@@H](CCNC(=O)c1c(F)cccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000601268687 507316996 /nfs/dbraw/zinc/31/69/96/507316996.db2.gz UKRPTEIZCZDNHZ-AWEZNQCLSA-N 1 1 359.401 3.374 20 5 FGBDMO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000598220466 507324967 /nfs/dbraw/zinc/32/49/67/507324967.db2.gz POAZXBHYQLIUQY-HNNXBMFYSA-N 1 1 370.453 3.142 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000595010420 507352381 /nfs/dbraw/zinc/35/23/81/507352381.db2.gz CGKMQHOGXYMLNA-OAHLLOKOSA-N 1 1 370.453 3.314 20 5 FGBDMO CCC1(CC)[C@H]([N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1OC ZINC000610846084 507411824 /nfs/dbraw/zinc/41/18/24/507411824.db2.gz JPZDLKCVXNVGGD-SJORKVTESA-N 1 1 364.442 3.487 20 5 FGBDMO Cc1noc(C[N@H+](CCc2ccc(C)cc2)C[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000595330337 507462159 /nfs/dbraw/zinc/46/21/59/507462159.db2.gz JKRJNRMNUBCYOJ-QGZVFWFLSA-N 1 1 359.426 3.423 20 5 FGBDMO Cc1noc(C[N@@H+](CCc2ccc(C)cc2)C[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000595330337 507462163 /nfs/dbraw/zinc/46/21/63/507462163.db2.gz JKRJNRMNUBCYOJ-QGZVFWFLSA-N 1 1 359.426 3.423 20 5 FGBDMO C[C@H](C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000598510150 507466614 /nfs/dbraw/zinc/46/66/14/507466614.db2.gz NQVSFWHKBCRNTF-KXBFYZLASA-N 1 1 353.422 3.089 20 5 FGBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000614340691 507471066 /nfs/dbraw/zinc/47/10/66/507471066.db2.gz CIHZKMMWOVJDJU-MRXNPFEDSA-N 1 1 363.461 3.238 20 5 FGBDMO Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)c3c(C)cccc3[N+](=O)[O-])C2)c1 ZINC000601852096 507487144 /nfs/dbraw/zinc/48/71/44/507487144.db2.gz WOLLVWWHIQZTSL-QGZVFWFLSA-N 1 1 353.422 3.216 20 5 FGBDMO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1cc(F)ccc1OC(F)F)CC2 ZINC000595422077 507489979 /nfs/dbraw/zinc/48/99/79/507489979.db2.gz FCHQQRLUFMKVJM-UHFFFAOYSA-N 1 1 353.300 3.289 20 5 FGBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1cc(F)ccc1OC(F)F)CC2 ZINC000595422077 507489988 /nfs/dbraw/zinc/48/99/88/507489988.db2.gz FCHQQRLUFMKVJM-UHFFFAOYSA-N 1 1 353.300 3.289 20 5 FGBDMO C[C@]1(Cc2ccccc2F)CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000592143530 507505676 /nfs/dbraw/zinc/50/56/76/507505676.db2.gz GQNYDPCTYJWTEN-HXUWFJFHSA-N 1 1 371.412 3.430 20 5 FGBDMO COc1ccccc1C1([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000592143136 507505761 /nfs/dbraw/zinc/50/57/61/507505761.db2.gz RMJSGELASNEAOR-UHFFFAOYSA-N 1 1 355.394 3.129 20 5 FGBDMO Cc1ccc(C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC2CC2)cn1 ZINC000592146376 507510646 /nfs/dbraw/zinc/51/06/46/507510646.db2.gz NTZHQPAAHOFTMD-UHFFFAOYSA-N 1 1 368.437 3.173 20 5 FGBDMO Cc1ccc(C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC2CC2)cn1 ZINC000592146376 507510651 /nfs/dbraw/zinc/51/06/51/507510651.db2.gz NTZHQPAAHOFTMD-UHFFFAOYSA-N 1 1 368.437 3.173 20 5 FGBDMO Cc1noc(C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000595489173 507527476 /nfs/dbraw/zinc/52/74/76/507527476.db2.gz QMFVQALFQKFRCG-CZUORRHYSA-N 1 1 350.806 3.080 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000592184656 507528156 /nfs/dbraw/zinc/52/81/56/507528156.db2.gz RHDQPDWFHQIREO-OAHLLOKOSA-N 1 1 361.442 3.123 20 5 FGBDMO CN1CCC[N@@H+](CCCNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000611133717 507528381 /nfs/dbraw/zinc/52/83/81/507528381.db2.gz SPIDTVFUCRERBZ-UHFFFAOYSA-N 1 1 360.380 3.053 20 5 FGBDMO C[N@@H+]1CCCN(CCCNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000611133717 507528383 /nfs/dbraw/zinc/52/83/83/507528383.db2.gz SPIDTVFUCRERBZ-UHFFFAOYSA-N 1 1 360.380 3.053 20 5 FGBDMO C[N@H+]1CCCN(CCCNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000611133717 507528385 /nfs/dbraw/zinc/52/83/85/507528385.db2.gz SPIDTVFUCRERBZ-UHFFFAOYSA-N 1 1 360.380 3.053 20 5 FGBDMO C[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(Br)cc1[N+](=O)[O-])C2 ZINC000595505011 507534206 /nfs/dbraw/zinc/53/42/06/507534206.db2.gz OYXIASMIBJWJTG-MRXNPFEDSA-N 1 1 368.275 3.275 20 5 FGBDMO Cc1noc(C[NH+]2CCC(c3ccc4cccnc4n3)CC2)c1[N+](=O)[O-] ZINC000595561817 507562693 /nfs/dbraw/zinc/56/26/93/507562693.db2.gz OWFBZEFSSOVHER-UHFFFAOYSA-N 1 1 353.382 3.214 20 5 FGBDMO COCC[N@@H+](CCc1ccccc1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611257799 507585600 /nfs/dbraw/zinc/58/56/00/507585600.db2.gz NXDJJRPCNQRALZ-UHFFFAOYSA-N 1 1 372.421 3.057 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[NH+]1CCC(c3ccccn3)CC1)OCCO2 ZINC000611265384 507590128 /nfs/dbraw/zinc/59/01/28/507590128.db2.gz CRAPUJUPAIJATC-UHFFFAOYSA-N 1 1 355.394 3.141 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@H]1c1ccc(O)cc1)OCCO2 ZINC000611265421 507590414 /nfs/dbraw/zinc/59/04/14/507590414.db2.gz MJSRNEFRQWBPRB-INIZCTEOSA-N 1 1 356.378 3.409 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@H]1c1ccc(O)cc1)OCCO2 ZINC000611265421 507590419 /nfs/dbraw/zinc/59/04/19/507590419.db2.gz MJSRNEFRQWBPRB-INIZCTEOSA-N 1 1 356.378 3.409 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000595687878 507627434 /nfs/dbraw/zinc/62/74/34/507627434.db2.gz DSHXVZBUENAYNP-PJSAGSTRSA-N 1 1 358.398 3.064 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)[C@@H]2CCCC[C@@H]12 ZINC000595730473 507651354 /nfs/dbraw/zinc/65/13/54/507651354.db2.gz JFQVYFDQHXFNGM-ARFHVFGLSA-N 1 1 362.426 3.157 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](CCF)C2)c([N+](=O)[O-])c1 ZINC000595756372 507669830 /nfs/dbraw/zinc/66/98/30/507669830.db2.gz UQFWQRHFERCOCY-ZDUSSCGKSA-N 1 1 353.394 3.004 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H](CCF)C2)c([N+](=O)[O-])c1 ZINC000595756372 507669834 /nfs/dbraw/zinc/66/98/34/507669834.db2.gz UQFWQRHFERCOCY-ZDUSSCGKSA-N 1 1 353.394 3.004 20 5 FGBDMO Cc1c(NC(=O)CC[N@@H+]2CC3(CCCC3)OC[C@H]2C)cccc1[N+](=O)[O-] ZINC000595816928 507698918 /nfs/dbraw/zinc/69/89/18/507698918.db2.gz ZKWXYGYCUJOKSG-CQSZACIVSA-N 1 1 361.442 3.265 20 5 FGBDMO COc1ccc(OCC[N@@H+]2CC3(CCCC3)OC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000595815818 507698974 /nfs/dbraw/zinc/69/89/74/507698974.db2.gz SXXYSLIOBGWZPZ-AWEZNQCLSA-N 1 1 350.415 3.016 20 5 FGBDMO COc1ccc(OCC[N@H+]2CC3(CCCC3)OC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000595815818 507698979 /nfs/dbraw/zinc/69/89/79/507698979.db2.gz SXXYSLIOBGWZPZ-AWEZNQCLSA-N 1 1 350.415 3.016 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595821961 507699985 /nfs/dbraw/zinc/69/99/85/507699985.db2.gz JXMIPMYIRWVTJA-UHFFFAOYSA-N 1 1 373.453 3.123 20 5 FGBDMO O=C1CCCN1C[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000595830056 507704830 /nfs/dbraw/zinc/70/48/30/507704830.db2.gz SYHAHQVEQIPZLQ-LBPRGKRZSA-N 1 1 371.359 3.058 20 5 FGBDMO O=C1CCCN1C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000595830056 507704834 /nfs/dbraw/zinc/70/48/34/507704834.db2.gz SYHAHQVEQIPZLQ-LBPRGKRZSA-N 1 1 371.359 3.058 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+]([C@H]2CCc3ccccc32)CC1 ZINC000614962637 507707177 /nfs/dbraw/zinc/70/71/77/507707177.db2.gz NCYXNTRGVROJEE-IBGZPJMESA-N 1 1 351.406 3.040 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000595833124 507707279 /nfs/dbraw/zinc/70/72/79/507707279.db2.gz RWKFIUSJQANLES-RDTXWAMCSA-N 1 1 355.394 3.075 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000595833124 507707284 /nfs/dbraw/zinc/70/72/84/507707284.db2.gz RWKFIUSJQANLES-RDTXWAMCSA-N 1 1 355.394 3.075 20 5 FGBDMO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000611517065 507717354 /nfs/dbraw/zinc/71/73/54/507717354.db2.gz PMYMJKHFIMBCRM-AWEZNQCLSA-N 1 1 350.415 3.015 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2cc(N)c([N+](=O)[O-])c(CO)c2)cc1 ZINC000587993220 507727621 /nfs/dbraw/zinc/72/76/21/507727621.db2.gz VEXKNOZTTPODGP-LBPRGKRZSA-N 1 1 367.409 3.337 20 5 FGBDMO C[C@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000611560780 507738963 /nfs/dbraw/zinc/73/89/63/507738963.db2.gz SLGCXVSGCDJOCE-RDTXWAMCSA-N 1 1 351.410 3.206 20 5 FGBDMO CCO[C@@H]1C[C@H]([NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000611560941 507741037 /nfs/dbraw/zinc/74/10/37/507741037.db2.gz PZFWMWDZGLKXJB-RCCFBDPRSA-N 1 1 370.453 3.355 20 5 FGBDMO Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602550169 507745477 /nfs/dbraw/zinc/74/54/77/507745477.db2.gz KCMOJZAUNFLANY-SSDOTTSWSA-N 1 1 359.249 3.312 20 5 FGBDMO C[N@@H+](CCc1nccs1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000093843828 700455331 /nfs/dbraw/zinc/45/53/31/700455331.db2.gz KPCFUPWGADXYET-UHFFFAOYSA-N 1 1 356.245 3.488 20 5 FGBDMO C[N@H+](Cc1ccc(OC(F)F)cc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136809968 704864776 /nfs/dbraw/zinc/86/47/76/704864776.db2.gz DDVJJXKETZOLKZ-INIZCTEOSA-N 1 1 352.337 3.362 20 5 FGBDMO COc1nc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)ccc1[N+](=O)[O-] ZINC001164624379 719065294 /nfs/dbraw/zinc/06/52/94/719065294.db2.gz LLVCDUONLIOHCP-SJLPKXTDSA-N 1 1 368.437 3.099 20 5 FGBDMO COc1cc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)ncc1[N+](=O)[O-] ZINC001164618957 719073001 /nfs/dbraw/zinc/07/30/01/719073001.db2.gz BSWZQFKQDFYODO-WMZOPIPTSA-N 1 1 368.437 3.099 20 5 FGBDMO CCc1cc(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000508330856 719244294 /nfs/dbraw/zinc/24/42/94/719244294.db2.gz WNYYBWMGUFIHNX-ZIAGYGMSSA-N 1 1 355.442 3.143 20 5 FGBDMO O=C1CCCN1C[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000782476006 724673055 /nfs/dbraw/zinc/67/30/55/724673055.db2.gz RLZONSDITIKLSI-OAHLLOKOSA-N 1 1 351.834 3.225 20 5 FGBDMO O=C1CCCN1C[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000782476006 724673058 /nfs/dbraw/zinc/67/30/58/724673058.db2.gz RLZONSDITIKLSI-OAHLLOKOSA-N 1 1 351.834 3.225 20 5 FGBDMO COc1ccc(C[NH2+]Cc2nc(-c3ccncc3)cs2)cc1[N+](=O)[O-] ZINC000733331431 722495794 /nfs/dbraw/zinc/49/57/94/722495794.db2.gz MUYWHEDZDXJQEO-UHFFFAOYSA-N 1 1 356.407 3.412 20 5 FGBDMO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)c2cccc(F)c2)ccc1Br ZINC000734847925 722510567 /nfs/dbraw/zinc/51/05/67/722510567.db2.gz YQEZXWUFVJPEGR-AWEZNQCLSA-N 1 1 369.190 3.320 20 5 FGBDMO CC(C)CNC(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000735491096 722516731 /nfs/dbraw/zinc/51/67/31/722516731.db2.gz DIBYMGQIXCGAQG-UHFFFAOYSA-N 1 1 353.850 3.232 20 5 FGBDMO Cn1ccnc1[C@@H]1CC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000755793246 722957072 /nfs/dbraw/zinc/95/70/72/722957072.db2.gz YWAYWGVKROOAHN-LLVKDONJSA-N 1 1 359.411 3.052 20 5 FGBDMO Cn1ccnc1[C@@H]1CC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000755793246 722957073 /nfs/dbraw/zinc/95/70/73/722957073.db2.gz YWAYWGVKROOAHN-LLVKDONJSA-N 1 1 359.411 3.052 20 5 FGBDMO C[C@@H](CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCCC[C@@H]1C ZINC000756922519 722971909 /nfs/dbraw/zinc/97/19/09/722971909.db2.gz RMRKGWMUMSOSHK-STQMWFEESA-N 1 1 368.865 3.310 20 5 FGBDMO C[C@H](CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@@H](C)C1 ZINC000756935899 722972142 /nfs/dbraw/zinc/97/21/42/722972142.db2.gz BQULZYQGFHOPCT-CHWSQXEVSA-N 1 1 368.865 3.168 20 5 FGBDMO CCC[N@@H+](C)C[C@H]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)OC)C1 ZINC000757704515 722978685 /nfs/dbraw/zinc/97/86/85/722978685.db2.gz LXPSYLAPLCEITK-GFCCVEGCSA-N 1 1 369.849 3.203 20 5 FGBDMO O=C(C[NH+]1CCC2(CCOCC2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000792933788 723384058 /nfs/dbraw/zinc/38/40/58/723384058.db2.gz MXNBTYFSGMNEHN-UHFFFAOYSA-N 1 1 367.833 3.079 20 5 FGBDMO C[S@](=O)Cc1ccc(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000796525380 723641586 /nfs/dbraw/zinc/64/15/86/723641586.db2.gz CLCFQIBPBXGTGB-QHCPKHFHSA-N 1 1 352.843 3.417 20 5 FGBDMO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000768892891 723671459 /nfs/dbraw/zinc/67/14/59/723671459.db2.gz RYVBITUWVFUCEI-LLVKDONJSA-N 1 1 365.231 3.460 20 5 FGBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000768892891 723671460 /nfs/dbraw/zinc/67/14/60/723671460.db2.gz RYVBITUWVFUCEI-LLVKDONJSA-N 1 1 365.231 3.460 20 5 FGBDMO CC[N@@H+](C)C[C@@H]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000769513627 723688257 /nfs/dbraw/zinc/68/82/57/723688257.db2.gz DISLELWYHXPUME-LBPRGKRZSA-N 1 1 356.264 3.131 20 5 FGBDMO CCOC[C@H]1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774635453 723912936 /nfs/dbraw/zinc/91/29/36/723912936.db2.gz IPWMYABVQMCRLV-LBPRGKRZSA-N 1 1 352.822 3.304 20 5 FGBDMO CCOC[C@H]1CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774635453 723912939 /nfs/dbraw/zinc/91/29/39/723912939.db2.gz IPWMYABVQMCRLV-LBPRGKRZSA-N 1 1 352.822 3.304 20 5 FGBDMO CC(C)[N@@H+](C)CC1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000774846055 723935382 /nfs/dbraw/zinc/93/53/82/723935382.db2.gz MCWRRZZHPZYJTA-UHFFFAOYSA-N 1 1 350.419 3.055 20 5 FGBDMO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H](c2nccs2)c2ccccc2)cc1 ZINC000776586176 724162258 /nfs/dbraw/zinc/16/22/58/724162258.db2.gz CSMXPWSWEHWJOA-SJORKVTESA-N 1 1 355.419 3.464 20 5 FGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000810068583 725286199 /nfs/dbraw/zinc/28/61/99/725286199.db2.gz SKSUZLRINDHFLW-NWDGAFQWSA-N 1 1 359.348 3.046 20 5 FGBDMO O=[N+]([O-])c1c(Br)cccc1N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000820644913 729013536 /nfs/dbraw/zinc/01/35/36/729013536.db2.gz LMCODISUGOKFGM-UHFFFAOYSA-N 1 1 351.204 3.464 20 5 FGBDMO Cc1cc(Cl)c(C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000825460695 729384045 /nfs/dbraw/zinc/38/40/45/729384045.db2.gz GDSWTSRITQFGBC-YPMHNXCESA-N 1 1 353.850 3.407 20 5 FGBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000825466301 729384341 /nfs/dbraw/zinc/38/43/41/729384341.db2.gz CIVUIEDQSWMVHA-ZDUSSCGKSA-N 1 1 353.850 3.490 20 5 FGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCn2ncc(Br)c2C1 ZINC000827445542 729430205 /nfs/dbraw/zinc/43/02/05/729430205.db2.gz AZWUJTZQTMRKIN-HYXAFXHYSA-N 1 1 363.215 3.083 20 5 FGBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCn2ncc(Br)c2C1 ZINC000827445542 729430206 /nfs/dbraw/zinc/43/02/06/729430206.db2.gz AZWUJTZQTMRKIN-HYXAFXHYSA-N 1 1 363.215 3.083 20 5 FGBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccc([N+](=O)[O-])c(Cl)c3)C2)C1 ZINC000836367357 729953307 /nfs/dbraw/zinc/95/33/07/729953307.db2.gz BEOFQXFSIMDFPZ-MRXNPFEDSA-N 1 1 352.822 3.198 20 5 FGBDMO CC(C)C[N@@H+](C)CCCNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000844653682 730746779 /nfs/dbraw/zinc/74/67/79/730746779.db2.gz CYKOMABSNLEVPG-UHFFFAOYSA-N 1 1 372.263 3.065 20 5 FGBDMO O=[N+]([O-])c1cccc(Br)c1C[NH+]1CCC(C2(O)CC2)CC1 ZINC000846007411 730917770 /nfs/dbraw/zinc/91/77/70/730917770.db2.gz HHLWRSRAMKDSBM-UHFFFAOYSA-N 1 1 355.232 3.094 20 5 FGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OCC[C@H]1CC[N@H+](C)C1 ZINC000847820468 731097197 /nfs/dbraw/zinc/09/71/97/731097197.db2.gz PXAZRTNIZRVIEF-LLVKDONJSA-N 1 1 371.231 3.164 20 5 FGBDMO C[C@@H]1CCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)[C@H]1CCO ZINC000852460462 731586657 /nfs/dbraw/zinc/58/66/57/731586657.db2.gz CTHDITTWJUVMSU-RISCZKNCSA-N 1 1 357.248 3.340 20 5 FGBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)[C@H]1CCO ZINC000852460462 731586662 /nfs/dbraw/zinc/58/66/62/731586662.db2.gz CTHDITTWJUVMSU-RISCZKNCSA-N 1 1 357.248 3.340 20 5 FGBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)CC1=CCSC1 ZINC000852747633 731629912 /nfs/dbraw/zinc/62/99/12/731629912.db2.gz QYAFTNIHZXCANU-JTQLQIEISA-N 1 1 355.847 3.180 20 5 FGBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)CC1=CCSC1 ZINC000852747633 731629913 /nfs/dbraw/zinc/62/99/13/731629913.db2.gz QYAFTNIHZXCANU-JTQLQIEISA-N 1 1 355.847 3.180 20 5 FGBDMO C[C@@H](C[N@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)c1nccs1 ZINC000853506121 731714760 /nfs/dbraw/zinc/71/47/60/731714760.db2.gz GQAULNSJFZRQMT-LBPRGKRZSA-N 1 1 358.427 3.003 20 5 FGBDMO C[C@@H](C[N@@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)c1nccs1 ZINC000853506121 731714761 /nfs/dbraw/zinc/71/47/61/731714761.db2.gz GQAULNSJFZRQMT-LBPRGKRZSA-N 1 1 358.427 3.003 20 5 FGBDMO Cc1cc(Cl)c(C(=O)N2CC[NH2+][C@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000854892146 731872314 /nfs/dbraw/zinc/87/23/14/731872314.db2.gz VBPPYBVEYSLRQT-INIZCTEOSA-N 1 1 359.813 3.343 20 5 FGBDMO CC(C)([NH2+]CCS(=O)(=O)C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000856744902 732052366 /nfs/dbraw/zinc/05/23/66/732052366.db2.gz XFJSOMVOVQXESB-UHFFFAOYSA-N 1 1 354.472 3.167 20 5 FGBDMO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000857322592 732121104 /nfs/dbraw/zinc/12/11/04/732121104.db2.gz HBGQPKWUTHTLHF-ZDUSSCGKSA-N 1 1 351.834 3.385 20 5 FGBDMO C[C@@H]([NH2+]Cc1ccc(C[S@@](C)=O)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872071926 735584840 /nfs/dbraw/zinc/58/48/40/735584840.db2.gz ZZOHVGUBRDLHLS-OIRASMEMSA-N 1 1 350.415 3.463 20 5 FGBDMO C[C@]1(C(F)(F)F)CC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000872805021 735679487 /nfs/dbraw/zinc/67/94/87/735679487.db2.gz ROKUNPMYGFAKPL-AWEZNQCLSA-N 1 1 355.320 3.085 20 5 FGBDMO C[C@]1(C(F)(F)F)CC[N@@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000872805021 735679490 /nfs/dbraw/zinc/67/94/90/735679490.db2.gz ROKUNPMYGFAKPL-AWEZNQCLSA-N 1 1 355.320 3.085 20 5 FGBDMO Cn1cc(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2cccs2)c([N+](=O)[O-])n1 ZINC000876803728 736146684 /nfs/dbraw/zinc/14/66/84/736146684.db2.gz KCBSJOLZOXNYQC-GJZGRUSLSA-N 1 1 364.471 3.258 20 5 FGBDMO Cn1cc(C[N@H+]2CC[C@H]3CSC[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000877738904 736711504 /nfs/dbraw/zinc/71/15/04/736711504.db2.gz MSNWBRRCLWSLIK-HOCLYGCPSA-N 1 1 358.467 3.180 20 5 FGBDMO Cn1cc(C[N@H+]2CC[C@@H]3CSC[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000877738906 736712256 /nfs/dbraw/zinc/71/22/56/736712256.db2.gz MSNWBRRCLWSLIK-ZBFHGGJFSA-N 1 1 358.467 3.180 20 5 FGBDMO COC(C)(C)C[N@H+](C)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878188524 736786118 /nfs/dbraw/zinc/78/61/18/736786118.db2.gz LBGWMNRDWAQPLF-UHFFFAOYSA-N 1 1 354.794 3.155 20 5 FGBDMO COC(C)(C)C[N@@H+](C)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878188524 736786122 /nfs/dbraw/zinc/78/61/22/736786122.db2.gz LBGWMNRDWAQPLF-UHFFFAOYSA-N 1 1 354.794 3.155 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@@H+]2CC[C@H](C(F)F)C2)o1 ZINC000878322086 736806684 /nfs/dbraw/zinc/80/66/84/736806684.db2.gz ZZPNSPMRXFAZHA-QMMMGPOBSA-N 1 1 358.732 3.385 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@H+]2CC[C@H](C(F)F)C2)o1 ZINC000878322086 736806686 /nfs/dbraw/zinc/80/66/86/736806686.db2.gz ZZPNSPMRXFAZHA-QMMMGPOBSA-N 1 1 358.732 3.385 20 5 FGBDMO CC[C@H]1C[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CCCO1 ZINC000878554065 736886354 /nfs/dbraw/zinc/88/63/54/736886354.db2.gz XAAJGJHXOJLFHJ-LBPRGKRZSA-N 1 1 366.805 3.299 20 5 FGBDMO CC[C@H]1C[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CCCO1 ZINC000878554065 736886363 /nfs/dbraw/zinc/88/63/63/736886363.db2.gz XAAJGJHXOJLFHJ-LBPRGKRZSA-N 1 1 366.805 3.299 20 5 FGBDMO COC[C@@]1(C)CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 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493792820 /nfs/dbraw/zinc/79/28/20/493792820.db2.gz SYCPLXYIBICZMB-KRWDZBQOSA-N 1 1 368.393 3.200 20 5 FGBDMO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](CCO)c1ccccc1 ZINC000075899208 493792825 /nfs/dbraw/zinc/79/28/25/493792825.db2.gz SYCPLXYIBICZMB-KRWDZBQOSA-N 1 1 368.393 3.200 20 5 FGBDMO CC[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](C)c1cccc(O)c1 ZINC000080933306 493795008 /nfs/dbraw/zinc/79/50/08/493795008.db2.gz PJTTZDGNNIPNTF-KBXCAEBGSA-N 1 1 360.410 3.123 20 5 FGBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CCN(CCc2ccccn2)CC1 ZINC000080969131 493804066 /nfs/dbraw/zinc/80/40/66/493804066.db2.gz WYGMEVNYWKWYMP-UHFFFAOYSA-N 1 1 354.454 3.129 20 5 FGBDMO CN(Cc1cccc([N+](=O)[O-])c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080969131 493804069 /nfs/dbraw/zinc/80/40/69/493804069.db2.gz WYGMEVNYWKWYMP-UHFFFAOYSA-N 1 1 354.454 3.129 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000076388417 493881458 /nfs/dbraw/zinc/88/14/58/493881458.db2.gz 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Cc1ccc(NC(=O)N2CC[NH+](CCc3cccs3)CC2)cc1[N+](=O)[O-] ZINC000056520183 494519011 /nfs/dbraw/zinc/51/90/11/494519011.db2.gz WEVKPMRPRXFLKZ-UHFFFAOYSA-N 1 1 374.466 3.357 20 5 FGBDMO COc1ccc(C[N@H+](C)[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1C ZINC000067399427 494532107 /nfs/dbraw/zinc/53/21/07/494532107.db2.gz COLOXACPQLVUSM-SFHVURJKSA-N 1 1 369.421 3.149 20 5 FGBDMO COc1ccc(C[N@@H+](C)[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1C ZINC000067399427 494532109 /nfs/dbraw/zinc/53/21/09/494532109.db2.gz COLOXACPQLVUSM-SFHVURJKSA-N 1 1 369.421 3.149 20 5 FGBDMO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000023356053 494562212 /nfs/dbraw/zinc/56/22/12/494562212.db2.gz MOMXFMRBJQHMGT-SWLSCSKDSA-N 1 1 366.364 3.306 20 5 FGBDMO C[C@@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C)C1 ZINC000047216202 494658186 /nfs/dbraw/zinc/65/81/86/494658186.db2.gz ZCYKOIBXSWTMGJ-HOTGVXAUSA-N 1 1 374.485 3.045 20 5 FGBDMO C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000121311683 494695053 /nfs/dbraw/zinc/69/50/53/494695053.db2.gz UHKHFMYDTGIWFF-MJGOQNOKSA-N 1 1 373.840 3.352 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000121311683 494695058 /nfs/dbraw/zinc/69/50/58/494695058.db2.gz UHKHFMYDTGIWFF-MJGOQNOKSA-N 1 1 373.840 3.352 20 5 FGBDMO Cc1ccccc1[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000126293475 494698692 /nfs/dbraw/zinc/69/86/92/494698692.db2.gz ZGAPJEUYTNXNNW-LJQANCHMSA-N 1 1 369.421 3.305 20 5 FGBDMO Cc1ccccc1[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000126293475 494698702 /nfs/dbraw/zinc/69/87/02/494698702.db2.gz ZGAPJEUYTNXNNW-LJQANCHMSA-N 1 1 369.421 3.305 20 5 FGBDMO Cc1cc([C@H]2CCC[N@@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)no1 ZINC000067962823 494711007 /nfs/dbraw/zinc/71/10/07/494711007.db2.gz HMNKNRANNVULFA-QGZVFWFLSA-N 1 1 358.398 3.365 20 5 FGBDMO Cc1cc([C@H]2CCC[N@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)no1 ZINC000067962823 494711016 /nfs/dbraw/zinc/71/10/16/494711016.db2.gz HMNKNRANNVULFA-QGZVFWFLSA-N 1 1 358.398 3.365 20 5 FGBDMO Cn1cc([C@@H]2CC[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)cn1 ZINC000116318866 494759975 /nfs/dbraw/zinc/75/99/75/494759975.db2.gz USNJLBCUTKZGFQ-OAHLLOKOSA-N 1 1 367.409 3.015 20 5 FGBDMO Cc1nn(C)c(N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1[N+](=O)[O-] ZINC000080685927 494767791 /nfs/dbraw/zinc/76/77/91/494767791.db2.gz GACPDIHAKMGVAE-FQEVSTJZSA-N 1 1 369.469 3.129 20 5 FGBDMO C[N@@H+](CCN1CCOCC1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000092974693 494798734 /nfs/dbraw/zinc/79/87/34/494798734.db2.gz QOOVRNYPPGHOIT-UHFFFAOYSA-N 1 1 361.467 3.087 20 5 FGBDMO CCOc1ccc(C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000108919650 494803763 /nfs/dbraw/zinc/80/37/63/494803763.db2.gz FECFNCRWNLXSHT-QLFBSQMISA-N 1 1 363.458 3.090 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1ccccc1F ZINC000026224699 494810498 /nfs/dbraw/zinc/81/04/98/494810498.db2.gz GQTAGVZHHCKOMO-UHFFFAOYSA-N 1 1 361.373 3.203 20 5 FGBDMO COc1ccc(C[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000026221448 494811100 /nfs/dbraw/zinc/81/11/00/494811100.db2.gz MRFYVKFLPIHDER-UHFFFAOYSA-N 1 1 373.409 3.073 20 5 FGBDMO COc1ccc(NC(=O)CC[N@@H+](C)Cc2ccccc2OC)c([N+](=O)[O-])c1 ZINC000026223447 494811269 /nfs/dbraw/zinc/81/12/69/494811269.db2.gz RBKRRLWBKWOJOD-UHFFFAOYSA-N 1 1 373.409 3.073 20 5 FGBDMO Cc1sc(C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000116667517 494834568 /nfs/dbraw/zinc/83/45/68/494834568.db2.gz ZFCMYIVLZPXIFH-UHFFFAOYSA-N 1 1 360.439 3.067 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](Cc1ccccc1)[C@@H](C)CCO ZINC000093303674 494864007 /nfs/dbraw/zinc/86/40/07/494864007.db2.gz WGLKIPVBUAFURY-INIZCTEOSA-N 1 1 371.437 3.115 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](Cc1ccccc1)[C@@H](C)CCO ZINC000093303674 494864011 /nfs/dbraw/zinc/86/40/11/494864011.db2.gz WGLKIPVBUAFURY-INIZCTEOSA-N 1 1 371.437 3.115 20 5 FGBDMO COc1ccc(OC)c(C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C(C)(C)C)c1 ZINC000132378247 494864641 /nfs/dbraw/zinc/86/46/41/494864641.db2.gz LQJGPHCFRBBJAX-UHFFFAOYSA-N 1 1 362.430 3.109 20 5 FGBDMO COc1cc(C[N@H+](C)CC[C@@H](C)O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000093481896 494896750 /nfs/dbraw/zinc/89/67/50/494896750.db2.gz HPSNOJDYYCTAOC-OAHLLOKOSA-N 1 1 374.437 3.385 20 5 FGBDMO COc1cc(C[N@@H+](C)CC[C@@H](C)O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000093481896 494896752 /nfs/dbraw/zinc/89/67/52/494896752.db2.gz HPSNOJDYYCTAOC-OAHLLOKOSA-N 1 1 374.437 3.385 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cc(Cl)ccc3F)C2)nc1 ZINC000093534609 494898386 /nfs/dbraw/zinc/89/83/86/494898386.db2.gz MFCWARWEMPQLLL-CYBMUJFWSA-N 1 1 350.781 3.469 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cc(Cl)ccc3F)C2)nc1 ZINC000093534609 494898387 /nfs/dbraw/zinc/89/83/87/494898387.db2.gz MFCWARWEMPQLLL-CYBMUJFWSA-N 1 1 350.781 3.469 20 5 FGBDMO COCC[N@@H+](C)CCCC1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000122172374 494935550 /nfs/dbraw/zinc/93/55/50/494935550.db2.gz IATUTZOBHBCWLU-UHFFFAOYSA-N 1 1 355.504 3.227 20 5 FGBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000132966475 494949699 /nfs/dbraw/zinc/94/96/99/494949699.db2.gz KAWCJEPEEXUFEF-LLVKDONJSA-N 1 1 359.348 3.027 20 5 FGBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)Cc1ccccc1 ZINC000110352562 494972256 /nfs/dbraw/zinc/97/22/56/494972256.db2.gz JSONGHRRGVCOKQ-ZDUSSCGKSA-N 1 1 361.829 3.499 20 5 FGBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000122606424 495002410 /nfs/dbraw/zinc/00/24/10/495002410.db2.gz BTTOLLYVNCMIKW-MRXNPFEDSA-N 1 1 359.451 3.376 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@H]3CCCC[C@@H]3n3cccn3)n2)cc1 ZINC000128153922 495053085 /nfs/dbraw/zinc/05/30/85/495053085.db2.gz DOKAIRLKQZNKRO-HOTGVXAUSA-N 1 1 368.397 3.115 20 5 FGBDMO Cc1nn(C)c(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c1[N+](=O)[O-] ZINC000098099054 495054281 /nfs/dbraw/zinc/05/42/81/495054281.db2.gz BNEFLFKPGHOUKV-CYBMUJFWSA-N 1 1 371.441 3.263 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCCn1cc[nH+]c1C ZINC000119274855 495131256 /nfs/dbraw/zinc/13/12/56/495131256.db2.gz WJBZWBVOAZPSKJ-UHFFFAOYSA-N 1 1 362.455 3.422 20 5 FGBDMO O=[N+]([O-])c1c2cccnc2ccc1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000112079239 495142474 /nfs/dbraw/zinc/14/24/74/495142474.db2.gz XERJIZXJIGGBDB-UHFFFAOYSA-N 1 1 364.405 3.171 20 5 FGBDMO CC(C)(CO)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1 ZINC000580483877 505769216 /nfs/dbraw/zinc/76/92/16/505769216.db2.gz VCRRTICGISOFMR-IBGZPJMESA-N 1 1 372.421 3.311 20 5 FGBDMO Cc1cnc(CC[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)s1 ZINC000129417559 495242772 /nfs/dbraw/zinc/24/27/72/495242772.db2.gz BXLDZIYOXYNTKH-UHFFFAOYSA-N 1 1 366.418 3.002 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000124297043 495265494 /nfs/dbraw/zinc/26/54/94/495265494.db2.gz SSNATVPFDSDMPO-QGZVFWFLSA-N 1 1 353.422 3.406 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@H](O)COc1ccc(F)cc1)C1CC1 ZINC000135224943 495265779 /nfs/dbraw/zinc/26/57/79/495265779.db2.gz LRDCTRFNWOLLCM-KRWDZBQOSA-N 1 1 360.385 3.138 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@H](O)COc1ccc(F)cc1)C1CC1 ZINC000135224943 495265784 /nfs/dbraw/zinc/26/57/84/495265784.db2.gz LRDCTRFNWOLLCM-KRWDZBQOSA-N 1 1 360.385 3.138 20 5 FGBDMO CC1(C)CN(C(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000104650960 495294584 /nfs/dbraw/zinc/29/45/84/495294584.db2.gz LFFCEKRZMMJJAN-UHFFFAOYSA-N 1 1 353.422 3.331 20 5 FGBDMO CC1(C)CN(C(=O)c2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000104650960 495294585 /nfs/dbraw/zinc/29/45/85/495294585.db2.gz LFFCEKRZMMJJAN-UHFFFAOYSA-N 1 1 353.422 3.331 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000574435021 505772899 /nfs/dbraw/zinc/77/28/99/505772899.db2.gz HNSPWGMQPHVYFQ-GOSISDBHSA-N 1 1 353.422 3.240 20 5 FGBDMO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000129999271 495326667 /nfs/dbraw/zinc/32/66/67/495326667.db2.gz JYWXVSCYEMOZNQ-CYBMUJFWSA-N 1 1 371.359 3.360 20 5 FGBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000114490047 495384303 /nfs/dbraw/zinc/38/43/03/495384303.db2.gz OYCSDQRREXYCRN-MRXNPFEDSA-N 1 1 369.421 3.031 20 5 FGBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000120472072 495386799 /nfs/dbraw/zinc/38/67/99/495386799.db2.gz DGIOINRCYMCOOZ-LRDDRELGSA-N 1 1 374.466 3.131 20 5 FGBDMO CN(C)C(=O)c1cccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000130561617 495411232 /nfs/dbraw/zinc/41/12/32/495411232.db2.gz OABTVRTXOAPBME-UHFFFAOYSA-N 1 1 353.422 3.461 20 5 FGBDMO CN(C)C(=O)c1cccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000130561617 495411236 /nfs/dbraw/zinc/41/12/36/495411236.db2.gz OABTVRTXOAPBME-UHFFFAOYSA-N 1 1 353.422 3.461 20 5 FGBDMO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000125421646 495441896 /nfs/dbraw/zinc/44/18/96/495441896.db2.gz MTKNSIWGMQYAFB-INIZCTEOSA-N 1 1 373.409 3.208 20 5 FGBDMO CC(C)OC(=O)[C@@H]1CCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000125421646 495441899 /nfs/dbraw/zinc/44/18/99/495441899.db2.gz MTKNSIWGMQYAFB-INIZCTEOSA-N 1 1 373.409 3.208 20 5 FGBDMO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C[N@H+]1Cc1ccccc1 ZINC000137520463 495443494 /nfs/dbraw/zinc/44/34/94/495443494.db2.gz VBLFXFWJOUNVAJ-DZGCQCFKSA-N 1 1 357.385 3.127 20 5 FGBDMO C[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000125454843 495447121 /nfs/dbraw/zinc/44/71/21/495447121.db2.gz NPKRJHQZBPHFDE-CQSZACIVSA-N 1 1 372.469 3.258 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000138377310 495460613 /nfs/dbraw/zinc/46/06/13/495460613.db2.gz AACGGWNWTBENHD-AWEZNQCLSA-N 1 1 357.410 3.110 20 5 FGBDMO CC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000154164327 495531860 /nfs/dbraw/zinc/53/18/60/495531860.db2.gz DEKLVHMLPKGYOP-AWEZNQCLSA-N 1 1 357.410 3.453 20 5 FGBDMO CC[N@@H+](Cc1ccc(OC)cc1)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000154164327 495531863 /nfs/dbraw/zinc/53/18/63/495531863.db2.gz DEKLVHMLPKGYOP-AWEZNQCLSA-N 1 1 357.410 3.453 20 5 FGBDMO Cc1cnc([C@H]([NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C2CC2)s1 ZINC000185350176 495542383 /nfs/dbraw/zinc/54/23/83/495542383.db2.gz KWBUIJKOLFLEPB-HZPDHXFCSA-N 1 1 372.450 3.206 20 5 FGBDMO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1nc(Cc2ccccc2)no1 ZINC000185402319 495565043 /nfs/dbraw/zinc/56/50/43/495565043.db2.gz LRRXZTGHRIVWCU-AWEZNQCLSA-N 1 1 368.393 3.298 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000185407194 495565685 /nfs/dbraw/zinc/56/56/85/495565685.db2.gz HWOIESFVSHQBDX-KVSKMBFKSA-N 1 1 361.486 3.352 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000170689161 495567119 /nfs/dbraw/zinc/56/71/19/495567119.db2.gz RDTUHVPMPCDVNW-ZBFHGGJFSA-N 1 1 354.410 3.108 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000170689161 495567126 /nfs/dbraw/zinc/56/71/26/495567126.db2.gz RDTUHVPMPCDVNW-ZBFHGGJFSA-N 1 1 354.410 3.108 20 5 FGBDMO C[C@@H](O)C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCCCC1 ZINC000170691656 495568024 /nfs/dbraw/zinc/56/80/24/495568024.db2.gz BHZWKFKDQZHDKX-CYBMUJFWSA-N 1 1 360.414 3.160 20 5 FGBDMO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154395570 495603150 /nfs/dbraw/zinc/60/31/50/495603150.db2.gz ZIMBZJCUKIZANL-FSICJAGISA-N 1 1 362.451 3.059 20 5 FGBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182604256 495633603 /nfs/dbraw/zinc/63/36/03/495633603.db2.gz INWGKOIMBFSDJJ-NSHDSACASA-N 1 1 359.879 3.187 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185684690 495678041 /nfs/dbraw/zinc/67/80/41/495678041.db2.gz KYCDJBWKGMETKB-CVEARBPZSA-N 1 1 374.485 3.084 20 5 FGBDMO C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185697835 495685598 /nfs/dbraw/zinc/68/55/98/495685598.db2.gz HOCOXZWZMXHDIC-OWCLPIDISA-N 1 1 374.485 3.164 20 5 FGBDMO C[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccc(F)c1F ZINC000159461401 495736961 /nfs/dbraw/zinc/73/69/61/495736961.db2.gz SASYDLDNKRJMAB-BDJLRTHQSA-N 1 1 361.348 3.329 20 5 FGBDMO C[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182907164 495751990 /nfs/dbraw/zinc/75/19/90/495751990.db2.gz RRTBECHWAYYEKU-UONOGXRCSA-N 1 1 370.453 3.459 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000182996529 495791028 /nfs/dbraw/zinc/79/10/28/495791028.db2.gz TVUAIRBXVLSUMQ-AWEZNQCLSA-N 1 1 358.394 3.340 20 5 FGBDMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000155021034 495805984 /nfs/dbraw/zinc/80/59/84/495805984.db2.gz PMUNWKFFSUJUNJ-AWEZNQCLSA-N 1 1 373.384 3.224 20 5 FGBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000155042024 495814424 /nfs/dbraw/zinc/81/44/24/495814424.db2.gz OAHQQUPBCGTDAU-DOTOQJQBSA-N 1 1 359.470 3.449 20 5 FGBDMO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000155111131 495840487 /nfs/dbraw/zinc/84/04/87/495840487.db2.gz GNBPPBGAZRSZPO-GFCCVEGCSA-N 1 1 359.430 3.144 20 5 FGBDMO CN(C(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000174244843 495879997 /nfs/dbraw/zinc/87/99/97/495879997.db2.gz ANKCQWOTJFCTBM-UHFFFAOYSA-N 1 1 369.421 3.101 20 5 FGBDMO Cn1cc(C[N@@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)c(C(F)(F)F)n1 ZINC000155278458 495901722 /nfs/dbraw/zinc/90/17/22/495901722.db2.gz QJKPHDGJJPWIGZ-UHFFFAOYSA-N 1 1 372.347 3.248 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000180197369 495901783 /nfs/dbraw/zinc/90/17/83/495901783.db2.gz GUUBBWYWKZGAHL-ICSRJNTNSA-N 1 1 353.422 3.089 20 5 FGBDMO Cc1cc(N2CC[C@@]3(C2)CCC[N@H+](C)C3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000571770634 505811617 /nfs/dbraw/zinc/81/16/17/505811617.db2.gz AKWNLROIONGDBS-FQEVSTJZSA-N 1 1 367.453 3.282 20 5 FGBDMO CCN(C(=O)c1cc([N+](=O)[O-])cnc1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186298670 495935262 /nfs/dbraw/zinc/93/52/62/495935262.db2.gz VSRLXFYAPVJYAF-KRWDZBQOSA-N 1 1 368.437 3.035 20 5 FGBDMO CCN(C(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186308233 495940293 /nfs/dbraw/zinc/94/02/93/495940293.db2.gz STBXGNLXGCQIKU-OAHLLOKOSA-N 1 1 359.451 3.393 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000186428092 495994775 /nfs/dbraw/zinc/99/47/75/495994775.db2.gz HGINIYJCXFQAJJ-UHFFFAOYSA-N 1 1 351.834 3.339 20 5 FGBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000174524022 495995543 /nfs/dbraw/zinc/99/55/43/495995543.db2.gz VBLVNPHABRDWJC-LLVKDONJSA-N 1 1 359.348 3.027 20 5 FGBDMO Cc1c(CC(=O)N2C[C@H]3CCC[N@H+]3Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000155735561 496050982 /nfs/dbraw/zinc/05/09/82/496050982.db2.gz UQPORCRSXKNWDP-GOSISDBHSA-N 1 1 365.433 3.457 20 5 FGBDMO O=C(CC[N@H+]1CC[C@@]2(C1)OCc1ccccc12)Nc1ccc([N+](=O)[O-])cc1 ZINC000186627392 496079717 /nfs/dbraw/zinc/07/97/17/496079717.db2.gz KIXOLNNWPMCHDH-FQEVSTJZSA-N 1 1 367.405 3.055 20 5 FGBDMO C[C@H]1C[NH+](CCC2CCN(Cc3ccccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000177482569 496079698 /nfs/dbraw/zinc/07/96/98/496079698.db2.gz JYHVONDWYXSJHV-IRXDYDNUSA-N 1 1 361.486 3.306 20 5 FGBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](c3ccccc3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000177555493 496110104 /nfs/dbraw/zinc/11/01/04/496110104.db2.gz RNNBICWMHLWFRF-RHSMWYFYSA-N 1 1 369.421 3.420 20 5 FGBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](c3ccccc3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000177555493 496110108 /nfs/dbraw/zinc/11/01/08/496110108.db2.gz RNNBICWMHLWFRF-RHSMWYFYSA-N 1 1 369.421 3.420 20 5 FGBDMO Cc1c(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000174936922 496172029 /nfs/dbraw/zinc/17/20/29/496172029.db2.gz GIFGOTOJGKIUSV-GOSISDBHSA-N 1 1 367.449 3.497 20 5 FGBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000180908867 496194433 /nfs/dbraw/zinc/19/44/33/496194433.db2.gz TXQIZGBLHIKDMT-NWDGAFQWSA-N 1 1 371.384 3.046 20 5 FGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000172180770 496196931 /nfs/dbraw/zinc/19/69/31/496196931.db2.gz PGYQARIFGIBGBO-LBPRGKRZSA-N 1 1 361.833 3.166 20 5 FGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000172180770 496196937 /nfs/dbraw/zinc/19/69/37/496196937.db2.gz PGYQARIFGIBGBO-LBPRGKRZSA-N 1 1 361.833 3.166 20 5 FGBDMO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CCC2 ZINC000152653100 496215709 /nfs/dbraw/zinc/21/57/09/496215709.db2.gz NEKRGAXIHGACGV-CQSZACIVSA-N 1 1 374.466 3.222 20 5 FGBDMO CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CCC2 ZINC000152653100 496215710 /nfs/dbraw/zinc/21/57/10/496215710.db2.gz NEKRGAXIHGACGV-CQSZACIVSA-N 1 1 374.466 3.222 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(OCCCOC)CC1 ZINC000175260856 496312300 /nfs/dbraw/zinc/31/23/00/496312300.db2.gz FQIMLPILIXWVTG-UHFFFAOYSA-N 1 1 352.431 3.011 20 5 FGBDMO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153042279 496334940 /nfs/dbraw/zinc/33/49/40/496334940.db2.gz AYTZRDYTMRMGSM-KRWDZBQOSA-N 1 1 356.422 3.010 20 5 FGBDMO Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153042279 496334943 /nfs/dbraw/zinc/33/49/43/496334943.db2.gz AYTZRDYTMRMGSM-KRWDZBQOSA-N 1 1 356.422 3.010 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(N2CCC[N@@H+](CCCc3ccccc3)CC2)n1 ZINC000178206649 496369917 /nfs/dbraw/zinc/36/99/17/496369917.db2.gz YCAOKTSBZJOUOE-UHFFFAOYSA-N 1 1 354.454 3.443 20 5 FGBDMO C[C@@H](CO)[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000580801765 505840621 /nfs/dbraw/zinc/84/06/21/505840621.db2.gz XCMUMZVICNBLLY-HNNXBMFYSA-N 1 1 366.421 3.260 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000175541413 496434010 /nfs/dbraw/zinc/43/40/10/496434010.db2.gz OOQITXWUHNOMOB-BBRMVZONSA-N 1 1 360.414 3.159 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000187435803 496439833 /nfs/dbraw/zinc/43/98/33/496439833.db2.gz PWVHVJDEAAIJSP-FNORWQNLSA-N 1 1 370.405 3.292 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000178426645 496452149 /nfs/dbraw/zinc/45/21/49/496452149.db2.gz UIZGLVNUVWVGIH-AWEZNQCLSA-N 1 1 364.446 3.093 20 5 FGBDMO C[C@@]1(CNC(=O)Nc2ccncc2[N+](=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000157699259 496533281 /nfs/dbraw/zinc/53/32/81/496533281.db2.gz JWNLCGDSGKRDAV-IBGZPJMESA-N 1 1 369.425 3.166 20 5 FGBDMO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC2 ZINC000154012992 496654290 /nfs/dbraw/zinc/65/42/90/496654290.db2.gz RDZXXFBCLBAAEE-JKSUJKDBSA-N 1 1 354.834 3.000 20 5 FGBDMO CC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC1 ZINC000154059139 496670766 /nfs/dbraw/zinc/67/07/66/496670766.db2.gz QAYODOCAUAFCGV-UHFFFAOYSA-N 1 1 363.483 3.407 20 5 FGBDMO CCCn1ccnc1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000191469989 496772976 /nfs/dbraw/zinc/77/29/76/496772976.db2.gz UVGLCLMBSJIBID-OAHLLOKOSA-N 1 1 373.457 3.093 20 5 FGBDMO CCOCCC[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000247191445 496801807 /nfs/dbraw/zinc/80/18/07/496801807.db2.gz SUYBQCRSMDUVCT-WFASDCNBSA-N 1 1 356.854 3.192 20 5 FGBDMO CCC[N@H+]1CC[C@H](CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000264089846 496809524 /nfs/dbraw/zinc/80/95/24/496809524.db2.gz PTWQBLWBOKQIIW-QGZVFWFLSA-N 1 1 362.474 3.247 20 5 FGBDMO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[N@H+](C2CCCC2)CC1 ZINC000273492115 496822336 /nfs/dbraw/zinc/82/23/36/496822336.db2.gz SRQAISDBMYXROO-UHFFFAOYSA-N 1 1 350.394 3.216 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(c2ccncc2)CC1 ZINC000191644860 496844594 /nfs/dbraw/zinc/84/45/94/496844594.db2.gz HDBAPTXIUOYVAY-AWEZNQCLSA-N 1 1 354.410 3.196 20 5 FGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(OC2CCCC2)CC1 ZINC000195316747 496887397 /nfs/dbraw/zinc/88/73/97/496887397.db2.gz IQQGSTPJYAYDQN-AWEZNQCLSA-N 1 1 361.442 3.345 20 5 FGBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000273851033 496931788 /nfs/dbraw/zinc/93/17/88/496931788.db2.gz LQOZIAUGCVVXEH-CQSZACIVSA-N 1 1 365.449 3.202 20 5 FGBDMO O=[N+]([O-])c1ccc(Cc2noc([C@@H]3CCC[N@@H+]3Cc3ccccc3)n2)nc1 ZINC000273919977 496957550 /nfs/dbraw/zinc/95/75/50/496957550.db2.gz LDPDGHHPZZOEJQ-KRWDZBQOSA-N 1 1 365.393 3.301 20 5 FGBDMO O=[N+]([O-])c1ccc(Cc2noc([C@@H]3CCC[N@H+]3Cc3ccccc3)n2)nc1 ZINC000273919977 496957555 /nfs/dbraw/zinc/95/75/55/496957555.db2.gz LDPDGHHPZZOEJQ-KRWDZBQOSA-N 1 1 365.393 3.301 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000248372527 496985633 /nfs/dbraw/zinc/98/56/33/496985633.db2.gz ANKGKGCZVBHCTL-ZWKOTPCHSA-N 1 1 374.412 3.181 20 5 FGBDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000248460217 497019192 /nfs/dbraw/zinc/01/91/92/497019192.db2.gz OGPNDBJHVSNEIR-JKIFEVAISA-N 1 1 352.456 3.022 20 5 FGBDMO COCCOc1ncccc1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278228964 497043658 /nfs/dbraw/zinc/04/36/58/497043658.db2.gz JZWMDOYHDVXDCI-GOSISDBHSA-N 1 1 357.410 3.182 20 5 FGBDMO C[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N)[C@H]1c1cccs1 ZINC000248736259 497093260 /nfs/dbraw/zinc/09/32/60/497093260.db2.gz XEGLTYKZJLBNFS-PXAZEXFGSA-N 1 1 374.466 3.051 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000192487916 497129753 /nfs/dbraw/zinc/12/97/53/497129753.db2.gz AQFDGFPIRRZYFG-RDJZCZTQSA-N 1 1 353.422 3.154 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000248910593 497132429 /nfs/dbraw/zinc/13/24/29/497132429.db2.gz QTNGMRMPZSASMV-CXAGYDPISA-N 1 1 358.394 3.486 20 5 FGBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000278729306 497202734 /nfs/dbraw/zinc/20/27/34/497202734.db2.gz RWEOYKOOAPKIJT-UHFFFAOYSA-N 1 1 350.806 3.224 20 5 FGBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000245438734 497406021 /nfs/dbraw/zinc/40/60/21/497406021.db2.gz SJADEJHUEZBWAW-WMZOPIPTSA-N 1 1 370.453 3.351 20 5 FGBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[N@H+]1CCC[C@@H](C)C1 ZINC000245522793 497439522 /nfs/dbraw/zinc/43/95/22/497439522.db2.gz MDAILVNTFOSUCE-VXGBXAGGSA-N 1 1 371.384 3.046 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)C1 ZINC000245746181 497525715 /nfs/dbraw/zinc/52/57/15/497525715.db2.gz AFDZSGDWMCWCAB-KSSFIOAISA-N 1 1 358.442 3.412 20 5 FGBDMO CC(=O)c1ccc(NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)c([N+](=O)[O-])c1 ZINC000267404685 497542802 /nfs/dbraw/zinc/54/28/02/497542802.db2.gz QIVIOVJTWJNBPH-UHFFFAOYSA-N 1 1 369.425 3.285 20 5 FGBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000245962937 497585886 /nfs/dbraw/zinc/58/58/86/497585886.db2.gz MUVYIPRAHXKGHP-HKUYNNGSSA-N 1 1 374.485 3.043 20 5 FGBDMO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000279987050 497610805 /nfs/dbraw/zinc/61/08/05/497610805.db2.gz FBBMEVRRFHBWAN-NSHDSACASA-N 1 1 354.453 3.301 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]C[C@](C)(O)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000276761986 497646500 /nfs/dbraw/zinc/64/65/00/497646500.db2.gz HAHVOCLDPVYTGL-QUCCMNQESA-N 1 1 372.469 3.339 20 5 FGBDMO O=C1CCCN1[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000276782201 497651385 /nfs/dbraw/zinc/65/13/85/497651385.db2.gz JPPVYOCYMHIIFD-AWEZNQCLSA-N 1 1 355.394 3.052 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCCN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272557170 497661596 /nfs/dbraw/zinc/66/15/96/497661596.db2.gz SIGQDNRMRIXRST-VQIMIIECSA-N 1 1 371.485 3.272 20 5 FGBDMO Cc1nc2sccn2c1C[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000268231304 497707309 /nfs/dbraw/zinc/70/73/09/497707309.db2.gz LBQRAUSHIVQAFR-UHFFFAOYSA-N 1 1 373.438 3.073 20 5 FGBDMO O=C(C[C@@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000246383396 497715582 /nfs/dbraw/zinc/71/55/82/497715582.db2.gz ZVFNWZCLIKORPR-YOEHRIQHSA-N 1 1 360.435 3.427 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@@H]4OCCC[C@H]4C3)o2)c1 ZINC000246531478 497765246 /nfs/dbraw/zinc/76/52/46/497765246.db2.gz GBTYKSDYGDZYKP-RDJZCZTQSA-N 1 1 357.410 3.293 20 5 FGBDMO CCOCCC[N@H+]1CC[C@@H](Nc2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000246563136 497775496 /nfs/dbraw/zinc/77/54/96/497775496.db2.gz KXZWUDDLJVKFDY-BLLLJJGKSA-N 1 1 357.401 3.422 20 5 FGBDMO C[C@@H]1OCC[C@]12C[N@H+](Cc1cc(=O)oc3ccc4ccccc4c13)CCO2 ZINC000280561350 497789937 /nfs/dbraw/zinc/78/99/37/497789937.db2.gz UYHOFNSZDCQRFA-NYHFZMIOSA-N 1 1 365.429 3.326 20 5 FGBDMO C[C@@H]1OCC[C@]12C[N@@H+](Cc1cc(=O)oc3ccc4ccccc4c13)CCO2 ZINC000280561350 497789942 /nfs/dbraw/zinc/78/99/42/497789942.db2.gz UYHOFNSZDCQRFA-NYHFZMIOSA-N 1 1 365.429 3.326 20 5 FGBDMO C[C@H](C(=O)NCC[N@@H+]1CC=C(C(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000575163161 505934011 /nfs/dbraw/zinc/93/40/11/505934011.db2.gz BLSHEBWICDMFQD-HNNXBMFYSA-N 1 1 359.470 3.493 20 5 FGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000295903149 497847689 /nfs/dbraw/zinc/84/76/89/497847689.db2.gz DFNYCMVBSBEAPL-SWLSCSKDSA-N 1 1 360.414 3.189 20 5 FGBDMO CC(C)([NH2+]CCS(=O)(=O)c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000292060631 497860967 /nfs/dbraw/zinc/86/09/67/497860967.db2.gz CLIXCKILKSGYBE-UHFFFAOYSA-N 1 1 366.414 3.033 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2noc(C(C)C)n2)CC1 ZINC000299700659 497899874 /nfs/dbraw/zinc/89/98/74/497899874.db2.gz WXGZRJZRIAOEBG-UHFFFAOYSA-N 1 1 360.414 3.489 20 5 FGBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)c1 ZINC000364324951 497900166 /nfs/dbraw/zinc/90/01/66/497900166.db2.gz AADJALKTBQAOKP-YFCVBGDOSA-N 1 1 357.370 3.050 20 5 FGBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)c1 ZINC000364324951 497900171 /nfs/dbraw/zinc/90/01/71/497900171.db2.gz AADJALKTBQAOKP-YFCVBGDOSA-N 1 1 357.370 3.050 20 5 FGBDMO Cc1ncc(C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)n1-c1ccccc1 ZINC000364327444 497902454 /nfs/dbraw/zinc/90/24/54/497902454.db2.gz JMLRIIIUYWKHEX-QGZVFWFLSA-N 1 1 366.425 3.123 20 5 FGBDMO Cc1ncc(C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)n1-c1ccccc1 ZINC000364327444 497902458 /nfs/dbraw/zinc/90/24/58/497902458.db2.gz JMLRIIIUYWKHEX-QGZVFWFLSA-N 1 1 366.425 3.123 20 5 FGBDMO CC[C@H](c1ccncc1)[N@@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000299728052 497910359 /nfs/dbraw/zinc/91/03/59/497910359.db2.gz VQGGSFGLWJRIJF-QGZVFWFLSA-N 1 1 372.425 3.410 20 5 FGBDMO COc1cc2c(cc1OC)C[N@H+](CCNc1ccccc1[N+](=O)[O-])CC2 ZINC000301107037 497954643 /nfs/dbraw/zinc/95/46/43/497954643.db2.gz UJBQQPLPEUTIMV-UHFFFAOYSA-N 1 1 357.410 3.082 20 5 FGBDMO COc1cc2c(cc1OC)C[N@@H+](CCNc1ccccc1[N+](=O)[O-])CC2 ZINC000301107037 497954645 /nfs/dbraw/zinc/95/46/45/497954645.db2.gz UJBQQPLPEUTIMV-UHFFFAOYSA-N 1 1 357.410 3.082 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000301144388 497969811 /nfs/dbraw/zinc/96/98/11/497969811.db2.gz FLESYQMPGBMRDF-SNVBAGLBSA-N 1 1 351.204 3.464 20 5 FGBDMO CCc1cc(NC[C@@H]2CCC[N@@H+](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301184529 497989135 /nfs/dbraw/zinc/98/91/35/497989135.db2.gz CWBVHZTZJSVJDC-AWEZNQCLSA-N 1 1 355.442 3.368 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)N2CC[N@H+](C3CCC3)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000292382459 497994226 /nfs/dbraw/zinc/99/42/26/497994226.db2.gz RSSFSQBBBZJSKJ-ZBFHGGJFSA-N 1 1 374.485 3.036 20 5 FGBDMO COc1ccc(C[N@H+]2CCCN(c3nccc(C)c3[N+](=O)[O-])CC2)cc1 ZINC000301262664 498027853 /nfs/dbraw/zinc/02/78/53/498027853.db2.gz FTNBESIXNPDMGE-UHFFFAOYSA-N 1 1 356.426 3.019 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000364623433 498056324 /nfs/dbraw/zinc/05/63/24/498056324.db2.gz GKYWDALBBNIKSA-SUMWQHHRSA-N 1 1 359.451 3.388 20 5 FGBDMO C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000296513908 498073951 /nfs/dbraw/zinc/07/39/51/498073951.db2.gz CPUNBYMPTKAZEJ-URLQWDBASA-N 1 1 372.469 3.314 20 5 FGBDMO COc1cc(NCc2cccc(C[NH+]3CCOCC3)c2)ccc1[N+](=O)[O-] ZINC000301379204 498082987 /nfs/dbraw/zinc/08/29/87/498082987.db2.gz YAAAHIZLZADSQO-UHFFFAOYSA-N 1 1 357.410 3.048 20 5 FGBDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000285551503 498125516 /nfs/dbraw/zinc/12/55/16/498125516.db2.gz GPQCDLRXFGECQL-UHFFFAOYSA-N 1 1 364.377 3.313 20 5 FGBDMO O=C(CC[N@H+]1CCC[C@@H](c2ccncc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000289444328 498150335 /nfs/dbraw/zinc/15/03/35/498150335.db2.gz WTFFCUUUIGAQCX-MRXNPFEDSA-N 1 1 354.410 3.198 20 5 FGBDMO CCOC1CC2(C1)CC[N@@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C2 ZINC000289526684 498180958 /nfs/dbraw/zinc/18/09/58/498180958.db2.gz HLCUOOYFNINDLH-UHFFFAOYSA-N 1 1 370.453 3.386 20 5 FGBDMO CC[C@@H](Nc1cc(C)c([N+](=O)[O-])cn1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000301644746 498203205 /nfs/dbraw/zinc/20/32/05/498203205.db2.gz HMWAFNWSMONUIO-IEBWSBKVSA-N 1 1 370.453 3.390 20 5 FGBDMO CC[C@@H](Nc1cc(C)c([N+](=O)[O-])cn1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000301644746 498203213 /nfs/dbraw/zinc/20/32/13/498203213.db2.gz HMWAFNWSMONUIO-IEBWSBKVSA-N 1 1 370.453 3.390 20 5 FGBDMO C[C@@H](C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1F ZINC000330877166 498209726 /nfs/dbraw/zinc/20/97/26/498209726.db2.gz XEVLTOBKKZACRX-KGLIPLIRSA-N 1 1 351.422 3.170 20 5 FGBDMO C[C@]12CCC[N@@H+]1C[C@H](c1noc(/C=C\c3ccccc3[N+](=O)[O-])n1)OC2 ZINC000578698089 505999033 /nfs/dbraw/zinc/99/90/33/505999033.db2.gz FGHDTVXYJGQYAE-BJTXQSCBSA-N 1 1 356.382 3.074 20 5 FGBDMO C[C@]12CCC[N@H+]1C[C@H](c1noc(/C=C\c3ccccc3[N+](=O)[O-])n1)OC2 ZINC000578698089 505999035 /nfs/dbraw/zinc/99/90/35/505999035.db2.gz FGHDTVXYJGQYAE-BJTXQSCBSA-N 1 1 356.382 3.074 20 5 FGBDMO C[NH+]1CCC[C@@]2(CC[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)C1 ZINC000292996348 498228230 /nfs/dbraw/zinc/22/82/30/498228230.db2.gz OLVNLSDABXTUSB-HXUWFJFHSA-N 1 1 370.453 3.210 20 5 FGBDMO C[NH+]1CCC[C@@]2(CC[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)C1 ZINC000292996348 498228236 /nfs/dbraw/zinc/22/82/36/498228236.db2.gz OLVNLSDABXTUSB-HXUWFJFHSA-N 1 1 370.453 3.210 20 5 FGBDMO CN1CCC[C@@]2(CC[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)C1 ZINC000292996348 498228243 /nfs/dbraw/zinc/22/82/43/498228243.db2.gz OLVNLSDABXTUSB-HXUWFJFHSA-N 1 1 370.453 3.210 20 5 FGBDMO CN1CCC[C@@]2(CC[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)C1 ZINC000292996348 498228248 /nfs/dbraw/zinc/22/82/48/498228248.db2.gz OLVNLSDABXTUSB-HXUWFJFHSA-N 1 1 370.453 3.210 20 5 FGBDMO C[N@@H+]1CCC[C@@]2(CCN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)C1 ZINC000292996348 498228255 /nfs/dbraw/zinc/22/82/55/498228255.db2.gz OLVNLSDABXTUSB-HXUWFJFHSA-N 1 1 370.453 3.210 20 5 FGBDMO C[N@H+]1CCC[C@@]2(CCN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)C1 ZINC000292996348 498228259 /nfs/dbraw/zinc/22/82/59/498228259.db2.gz OLVNLSDABXTUSB-HXUWFJFHSA-N 1 1 370.453 3.210 20 5 FGBDMO Cc1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301698929 498229304 /nfs/dbraw/zinc/22/93/04/498229304.db2.gz DLVWENJXOKGIAA-WMZOPIPTSA-N 1 1 367.453 3.281 20 5 FGBDMO Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301698921 498229640 /nfs/dbraw/zinc/22/96/40/498229640.db2.gz DLVWENJXOKGIAA-FUHWJXTLSA-N 1 1 367.453 3.281 20 5 FGBDMO C[C@H](Nc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1)[C@H](C)[NH+]1CCOCC1 ZINC000301899799 498319382 /nfs/dbraw/zinc/31/93/82/498319382.db2.gz YLMBYEUYSARKSQ-KBPBESRZSA-N 1 1 351.447 3.293 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000365179559 498337689 /nfs/dbraw/zinc/33/76/89/498337689.db2.gz JTLQVMSNOUPTFP-HNNXBMFYSA-N 1 1 372.425 3.228 20 5 FGBDMO Cc1cnn([C@H]2CC[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)c1 ZINC000289959969 498370018 /nfs/dbraw/zinc/37/00/18/498370018.db2.gz QQYOHAOINBVSST-KRWDZBQOSA-N 1 1 367.409 3.244 20 5 FGBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000302045484 498382426 /nfs/dbraw/zinc/38/24/26/498382426.db2.gz MXBDJMGEHCRRDG-HOTGVXAUSA-N 1 1 374.485 3.045 20 5 FGBDMO C[C@H]1CCC[N@@H+](CCCCNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000286543450 498430401 /nfs/dbraw/zinc/43/04/01/498430401.db2.gz YZWDLUCHRMTPGS-ZDUSSCGKSA-N 1 1 359.430 3.168 20 5 FGBDMO C[C@@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC[N@H+]1C ZINC000302182326 498431754 /nfs/dbraw/zinc/43/17/54/498431754.db2.gz RESAOVDZJBINPM-WBVHZDCISA-N 1 1 370.453 3.488 20 5 FGBDMO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000331727784 498434698 /nfs/dbraw/zinc/43/46/98/498434698.db2.gz OIDSCBQPXOZIDM-AWEZNQCLSA-N 1 1 371.359 3.147 20 5 FGBDMO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000331727784 498434704 /nfs/dbraw/zinc/43/47/04/498434704.db2.gz OIDSCBQPXOZIDM-AWEZNQCLSA-N 1 1 371.359 3.147 20 5 FGBDMO O=[N+]([O-])c1ccc2c(c1N1CCC[N@@H+](Cc3ccc(F)cc3)CC1)CCN2 ZINC000302426048 498482420 /nfs/dbraw/zinc/48/24/20/498482420.db2.gz KAGYKDPIFQOCDY-UHFFFAOYSA-N 1 1 370.428 3.414 20 5 FGBDMO O=[N+]([O-])c1ccc2c(c1NCc1ccc(C[NH+]3CCOCC3)cc1)CCN2 ZINC000302446625 498485543 /nfs/dbraw/zinc/48/55/43/498485543.db2.gz OEIPZYDAKOYZMF-UHFFFAOYSA-N 1 1 368.437 3.007 20 5 FGBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000572774489 506048940 /nfs/dbraw/zinc/04/89/40/506048940.db2.gz MAPKGYDVMGQRRE-NSHDSACASA-N 1 1 361.364 3.464 20 5 FGBDMO C[C@@H]1C[NH+](C[C@H]2CCCN2c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000302739680 498554993 /nfs/dbraw/zinc/55/49/93/498554993.db2.gz CGZZOBPJOBASIK-UMVBOHGHSA-N 1 1 353.850 3.326 20 5 FGBDMO CC[NH+]1CCN(C[C@@H](C)CNc2c(C)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000302812750 498584543 /nfs/dbraw/zinc/58/45/43/498584543.db2.gz HLGJEPFXIGQXCI-ZDUSSCGKSA-N 1 1 354.882 3.242 20 5 FGBDMO O=C(c1cccc([N+](=O)[O-])c1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000365746987 498622974 /nfs/dbraw/zinc/62/29/74/498622974.db2.gz OVDLNLXAOKMIKJ-RTBURBONSA-N 1 1 365.433 3.189 20 5 FGBDMO C[N@H+](C[C@H]1CC12CCN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2)C1CC1 ZINC000365798450 498646287 /nfs/dbraw/zinc/64/62/87/498646287.db2.gz UYUPLQFQDIDVFA-OAHLLOKOSA-N 1 1 374.441 3.199 20 5 FGBDMO C[N@@H+](C[C@H]1CC12CCN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2)C1CC1 ZINC000365798450 498646292 /nfs/dbraw/zinc/64/62/92/498646292.db2.gz UYUPLQFQDIDVFA-OAHLLOKOSA-N 1 1 374.441 3.199 20 5 FGBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000303522300 498687635 /nfs/dbraw/zinc/68/76/35/498687635.db2.gz QIFKXXNTOXGASI-CYBMUJFWSA-N 1 1 373.457 3.102 20 5 FGBDMO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000303522300 498687641 /nfs/dbraw/zinc/68/76/41/498687641.db2.gz QIFKXXNTOXGASI-CYBMUJFWSA-N 1 1 373.457 3.102 20 5 FGBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000303522300 498687651 /nfs/dbraw/zinc/68/76/51/498687651.db2.gz QIFKXXNTOXGASI-CYBMUJFWSA-N 1 1 373.457 3.102 20 5 FGBDMO CC1CC[NH+](C2CCC(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)CC1 ZINC000332514682 498708825 /nfs/dbraw/zinc/70/88/25/498708825.db2.gz LUFCNOGMPFFKBJ-UHFFFAOYSA-N 1 1 361.442 3.073 20 5 FGBDMO Cn1cc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c(-c2cccnc2)n1 ZINC000282975967 498732495 /nfs/dbraw/zinc/73/24/95/498732495.db2.gz IXYDSEOSPKYTGO-UHFFFAOYSA-N 1 1 351.410 3.065 20 5 FGBDMO CN(C(=O)c1ccc(F)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311590908 498752437 /nfs/dbraw/zinc/75/24/37/498752437.db2.gz AKCJVOJHJCGDAQ-MRXNPFEDSA-N 1 1 357.385 3.080 20 5 FGBDMO CCOc1cc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1[N+](=O)[O-] ZINC000312353067 498759174 /nfs/dbraw/zinc/75/91/74/498759174.db2.gz UDTDHVZBPJFUNY-GOSISDBHSA-N 1 1 371.437 3.306 20 5 FGBDMO CCOc1cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1[N+](=O)[O-] ZINC000312353067 498759180 /nfs/dbraw/zinc/75/91/80/498759180.db2.gz UDTDHVZBPJFUNY-GOSISDBHSA-N 1 1 371.437 3.306 20 5 FGBDMO Cc1cc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])ccc1-n1cncn1 ZINC000579175648 506109411 /nfs/dbraw/zinc/10/94/11/506109411.db2.gz WWYGWGJTQLFPJQ-UHFFFAOYSA-N 1 1 351.410 3.158 20 5 FGBDMO Cc1c(CC(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000573095726 506118263 /nfs/dbraw/zinc/11/82/63/506118263.db2.gz IQANXRQSFCPKGJ-NRFANRHFSA-N 1 1 367.449 3.227 20 5 FGBDMO COc1cc(Cn2c[nH+]c3c2CCCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000295370180 498994967 /nfs/dbraw/zinc/99/49/67/498994967.db2.gz SGBRDVIHZSKASI-UHFFFAOYSA-N 1 1 353.325 3.328 20 5 FGBDMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC)C1 ZINC000284344092 499092097 /nfs/dbraw/zinc/09/20/97/499092097.db2.gz JQCOAQSMRBHEIL-OAHLLOKOSA-N 1 1 372.473 3.041 20 5 FGBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000291948714 499108811 /nfs/dbraw/zinc/10/88/11/499108811.db2.gz NYERQRUKNJHOGR-JTQLQIEISA-N 1 1 360.241 3.315 20 5 FGBDMO COc1cccc(N2CCC[N@H+](Cc3cnn(C(C)C)c3)CC2)c1[N+](=O)[O-] ZINC000372477190 499132350 /nfs/dbraw/zinc/13/23/50/499132350.db2.gz BHGSEKVSWIFNSG-UHFFFAOYSA-N 1 1 373.457 3.093 20 5 FGBDMO COc1cccc(N2CCC[N@@H+](Cc3cnn(C(C)C)c3)CC2)c1[N+](=O)[O-] ZINC000372477190 499132351 /nfs/dbraw/zinc/13/23/51/499132351.db2.gz BHGSEKVSWIFNSG-UHFFFAOYSA-N 1 1 373.457 3.093 20 5 FGBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C1CCN(c2ncccn2)CC1 ZINC000370081470 499176960 /nfs/dbraw/zinc/17/69/60/499176960.db2.gz 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Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000378354468 499506117 /nfs/dbraw/zinc/50/61/17/499506117.db2.gz JWLMZYVOAQWFJM-OAHLLOKOSA-N 1 1 357.454 3.240 20 5 FGBDMO Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c1C ZINC000375405319 499514601 /nfs/dbraw/zinc/51/46/01/499514601.db2.gz QSQJHOYKYMDDPV-CVEARBPZSA-N 1 1 371.441 3.072 20 5 FGBDMO Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c1C ZINC000375405319 499514603 /nfs/dbraw/zinc/51/46/03/499514603.db2.gz QSQJHOYKYMDDPV-CVEARBPZSA-N 1 1 371.441 3.072 20 5 FGBDMO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c(C)c1 ZINC000375406660 499514866 /nfs/dbraw/zinc/51/48/66/499514866.db2.gz WWBFTAOZIATGCH-JKSUJKDBSA-N 1 1 371.441 3.072 20 5 FGBDMO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c(C)c1 ZINC000375406660 499514868 /nfs/dbraw/zinc/51/48/68/499514868.db2.gz WWBFTAOZIATGCH-JKSUJKDBSA-N 1 1 371.441 3.072 20 5 FGBDMO COCCn1cc2c(n1)[C@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)CCC2 ZINC000378564921 499532343 /nfs/dbraw/zinc/53/23/43/499532343.db2.gz WHDROKSBAZCYKV-OAHLLOKOSA-N 1 1 364.833 3.258 20 5 FGBDMO CC1(C)C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000582173266 506151102 /nfs/dbraw/zinc/15/11/02/506151102.db2.gz SCKMLOVMLSBSCE-SUMWQHHRSA-N 1 1 362.451 3.479 20 5 FGBDMO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000410505878 499665397 /nfs/dbraw/zinc/66/53/97/499665397.db2.gz WIQJJOSYYCEXCR-AWEZNQCLSA-N 1 1 359.348 3.026 20 5 FGBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000410505878 499665398 /nfs/dbraw/zinc/66/53/98/499665398.db2.gz WIQJJOSYYCEXCR-AWEZNQCLSA-N 1 1 359.348 3.026 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@H](Cc3ccncc3)C2)c([N+](=O)[O-])cc1OC ZINC000377240526 499673221 /nfs/dbraw/zinc/67/32/21/499673221.db2.gz DGEBOLJOAZVVTB-OAHLLOKOSA-N 1 1 357.410 3.072 20 5 FGBDMO CC(=O)c1ccc(NC[C@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000377703508 499722396 /nfs/dbraw/zinc/72/23/96/499722396.db2.gz MQVUBOMHYBGUFJ-BEFAXECRSA-N 1 1 371.441 3.026 20 5 FGBDMO CC(=O)c1ccc(NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000377703508 499722397 /nfs/dbraw/zinc/72/23/97/499722397.db2.gz MQVUBOMHYBGUFJ-BEFAXECRSA-N 1 1 371.441 3.026 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]cc(Cc3noc([C@@H]4CCCc5[nH+]ccn54)n3)c2c1 ZINC000377749248 499728124 /nfs/dbraw/zinc/72/81/24/499728124.db2.gz SLXIGPOLGZTXPK-HNNXBMFYSA-N 1 1 364.365 3.172 20 5 FGBDMO CC(C)[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[C@@H]1CCC(=O)N1 ZINC000414551557 499807181 /nfs/dbraw/zinc/80/71/81/499807181.db2.gz BQMOYFJTSJELJX-AWEZNQCLSA-N 1 1 357.410 3.344 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000414555974 499808133 /nfs/dbraw/zinc/80/81/33/499808133.db2.gz UZRPYFGAJFSHQP-QCUIPMNBSA-N 1 1 357.454 3.475 20 5 FGBDMO C[N@@H+]1CC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]1c1ccccc1 ZINC000573290825 506162527 /nfs/dbraw/zinc/16/25/27/506162527.db2.gz QGPYLIVZBDIGMP-LPHOPBHVSA-N 1 1 351.410 3.006 20 5 FGBDMO C[N@H+]1CC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]1c1ccccc1 ZINC000573290825 506162529 /nfs/dbraw/zinc/16/25/29/506162529.db2.gz QGPYLIVZBDIGMP-LPHOPBHVSA-N 1 1 351.410 3.006 20 5 FGBDMO Cc1cc(C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000412695174 499876663 /nfs/dbraw/zinc/87/66/63/499876663.db2.gz IUAINFXFOYIZFY-INIZCTEOSA-N 1 1 353.422 3.250 20 5 FGBDMO Cc1cc(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000412695174 499876665 /nfs/dbraw/zinc/87/66/65/499876665.db2.gz IUAINFXFOYIZFY-INIZCTEOSA-N 1 1 353.422 3.250 20 5 FGBDMO CC(C)(C)[N@H+]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])o3)sc2C1 ZINC000425091113 500017230 /nfs/dbraw/zinc/01/72/30/500017230.db2.gz XYUOHQWJWAPDEP-UHFFFAOYSA-N 1 1 350.400 3.053 20 5 FGBDMO CC[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H](CC)O1 ZINC000421382811 500034142 /nfs/dbraw/zinc/03/41/42/500034142.db2.gz CIIQUUDPPMQJMI-HDICACEKSA-N 1 1 358.442 3.385 20 5 FGBDMO CC[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H](CC)O1 ZINC000421382811 500034144 /nfs/dbraw/zinc/03/41/44/500034144.db2.gz CIIQUUDPPMQJMI-HDICACEKSA-N 1 1 358.442 3.385 20 5 FGBDMO CC(C)([NH2+]CC(=O)NCc1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] ZINC000429266082 500037969 /nfs/dbraw/zinc/03/79/69/500037969.db2.gz RZGPZCLMKHIGMN-UHFFFAOYSA-N 1 1 361.829 3.389 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCCCC[C@H]1CCO ZINC000425445806 500108530 /nfs/dbraw/zinc/10/85/30/500108530.db2.gz PQKPPHFRHUKYBA-AWEZNQCLSA-N 1 1 357.248 3.484 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCCCC[C@H]1CCO ZINC000425445806 500108532 /nfs/dbraw/zinc/10/85/32/500108532.db2.gz PQKPPHFRHUKYBA-AWEZNQCLSA-N 1 1 357.248 3.484 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccnn1-c1ccccc1OC ZINC000430008441 500180772 /nfs/dbraw/zinc/18/07/72/500180772.db2.gz UJQCOOPEPZTOPW-UHFFFAOYSA-N 1 1 368.393 3.088 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000430195862 500207085 /nfs/dbraw/zinc/20/70/85/500207085.db2.gz OZRVICAZUSNRCF-UHFFFAOYSA-N 1 1 364.405 3.347 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000430195862 500207088 /nfs/dbraw/zinc/20/70/88/500207088.db2.gz OZRVICAZUSNRCF-UHFFFAOYSA-N 1 1 364.405 3.347 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000430236909 500213373 /nfs/dbraw/zinc/21/33/73/500213373.db2.gz CHUUNVQMJSCTJJ-UHFFFAOYSA-N 1 1 361.373 3.181 20 5 FGBDMO CC[NH2+]CC1CCN(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CC1 ZINC000430575474 500257308 /nfs/dbraw/zinc/25/73/08/500257308.db2.gz LFVKGEQBACXVLB-UHFFFAOYSA-N 1 1 373.400 3.026 20 5 FGBDMO C[C@H]1C[C@@H](c2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)CC[N@H+]1C ZINC000420496976 500467279 /nfs/dbraw/zinc/46/72/79/500467279.db2.gz AHCCDJLJMHCXOM-RYUDHWBXSA-N 1 1 357.414 3.201 20 5 FGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000576621906 506199999 /nfs/dbraw/zinc/19/99/99/506199999.db2.gz BTIVQPCZXBIFGF-GOEBONIOSA-N 1 1 354.410 3.196 20 5 FGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000576621906 506200003 /nfs/dbraw/zinc/20/00/03/506200003.db2.gz BTIVQPCZXBIFGF-GOEBONIOSA-N 1 1 354.410 3.196 20 5 FGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000576621905 506200364 /nfs/dbraw/zinc/20/03/64/506200364.db2.gz BTIVQPCZXBIFGF-GDBMZVCRSA-N 1 1 354.410 3.196 20 5 FGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000576621905 506200366 /nfs/dbraw/zinc/20/03/66/506200366.db2.gz BTIVQPCZXBIFGF-GDBMZVCRSA-N 1 1 354.410 3.196 20 5 FGBDMO Cc1[nH+]cn(-c2ccc(NC(=O)CNc3ccccc3[N+](=O)[O-])cc2)c1C ZINC000428581380 500530096 /nfs/dbraw/zinc/53/00/96/500530096.db2.gz JLSZOWFRTKVCLL-UHFFFAOYSA-N 1 1 365.393 3.448 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@@H](CCO)CC3)o2)c1 ZINC000421011300 500553342 /nfs/dbraw/zinc/55/33/42/500553342.db2.gz GZJDIKKGWSVMAA-OAHLLOKOSA-N 1 1 359.426 3.277 20 5 FGBDMO C[C@@H]1C[N@@H+](CCCNc2ccc([N+](=O)[O-])cc2OC(F)F)CCCO1 ZINC000432862326 500579852 /nfs/dbraw/zinc/57/98/52/500579852.db2.gz DOWCBGPTLIXFGX-GFCCVEGCSA-N 1 1 359.373 3.109 20 5 FGBDMO C[C@H]1CCC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000437190239 500612430 /nfs/dbraw/zinc/61/24/30/500612430.db2.gz XIBZZIYFNGJMKH-NSHDSACASA-N 1 1 359.348 3.075 20 5 FGBDMO CC[N@@H+](C)CCNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442720563 500615137 /nfs/dbraw/zinc/61/51/37/500615137.db2.gz JQSYDRQVMBQJBR-UHFFFAOYSA-N 1 1 359.451 3.428 20 5 FGBDMO CN(CCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000447515251 500615234 /nfs/dbraw/zinc/61/52/34/500615234.db2.gz BLGDDEUHIDDHAZ-MOPGFXCFSA-N 1 1 371.485 3.387 20 5 FGBDMO C[C@@H]1OCC[C@]1(O)C[N@H+](Cc1ccccc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000447922273 500690375 /nfs/dbraw/zinc/69/03/75/500690375.db2.gz ADRZJEKEVUCUSU-YWZLYKJASA-N 1 1 374.412 3.276 20 5 FGBDMO C[C@@H]1OCC[C@]1(O)C[N@@H+](Cc1ccccc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000447922273 500690378 /nfs/dbraw/zinc/69/03/78/500690378.db2.gz ADRZJEKEVUCUSU-YWZLYKJASA-N 1 1 374.412 3.276 20 5 FGBDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000443337749 500712365 /nfs/dbraw/zinc/71/23/65/500712365.db2.gz CTQOWOBOAYZIPX-CKEIUWERSA-N 1 1 359.426 3.274 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000448275605 500742768 /nfs/dbraw/zinc/74/27/68/500742768.db2.gz LDJFWLBMXMHODL-AWEZNQCLSA-N 1 1 358.442 3.174 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000433900881 500762187 /nfs/dbraw/zinc/76/21/87/500762187.db2.gz KPMWGIXDQOSYFK-YOEHRIQHSA-N 1 1 360.458 3.280 20 5 FGBDMO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000433918531 500764453 /nfs/dbraw/zinc/76/44/53/500764453.db2.gz KANHGUZOXTYENJ-OAHLLOKOSA-N 1 1 366.849 3.064 20 5 FGBDMO C[C@@H]1[C@H](NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CCC[N@H+]1C ZINC000444303039 500832371 /nfs/dbraw/zinc/83/23/71/500832371.db2.gz LHWFVBCWMSUVMR-SJKOYZFVSA-N 1 1 367.424 3.033 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@H](COc4ccccc4)C3)nc2c1 ZINC000444668154 500876215 /nfs/dbraw/zinc/87/62/15/500876215.db2.gz BVBWZYSVQQWGQP-AWEZNQCLSA-N 1 1 352.394 3.372 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@H](COc4ccccc4)C3)nc2c1 ZINC000444668154 500876216 /nfs/dbraw/zinc/87/62/16/500876216.db2.gz BVBWZYSVQQWGQP-AWEZNQCLSA-N 1 1 352.394 3.372 20 5 FGBDMO C[C@@H]1C[C@@H](c2ccccc2)CC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000439315412 500884142 /nfs/dbraw/zinc/88/41/42/500884142.db2.gz BIRXCLZPZOXAIN-ZBFHGGJFSA-N 1 1 353.422 3.462 20 5 FGBDMO CN(C)c1cccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000602583827 506224239 /nfs/dbraw/zinc/22/42/39/506224239.db2.gz ZAYQDHZCYJLGLT-UHFFFAOYSA-N 1 1 354.332 3.364 20 5 FGBDMO Cn1cc(C[N@H+]2CCC[C@@H](OC(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611609568 506227769 /nfs/dbraw/zinc/22/77/69/506227769.db2.gz PCEXAUWEHMABDH-OAHLLOKOSA-N 1 1 366.368 3.199 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCSc3ccccc3F)C2)nc1 ZINC000440491335 501014979 /nfs/dbraw/zinc/01/49/79/501014979.db2.gz HCMXYKOHKFKECD-ZDUSSCGKSA-N 1 1 362.430 3.407 20 5 FGBDMO C[N@@H+](CCCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1CCCCC1 ZINC000445758471 501028771 /nfs/dbraw/zinc/02/87/71/501028771.db2.gz JMOAADMFHYQZRH-UHFFFAOYSA-N 1 1 374.485 3.317 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCCc3ccccc3CC2)c2c(c1)COCO2 ZINC000449552679 501031436 /nfs/dbraw/zinc/03/14/36/501031436.db2.gz KCUHEOOJMIXSMW-UHFFFAOYSA-N 1 1 354.406 3.452 20 5 FGBDMO Cc1ccc([C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000435892255 501042025 /nfs/dbraw/zinc/04/20/25/501042025.db2.gz FOGHUFQHUXYOJU-RDTXWAMCSA-N 1 1 362.451 3.167 20 5 FGBDMO CCC[C@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])CC[N@H+]1CCOC ZINC000450418056 501116948 /nfs/dbraw/zinc/11/69/48/501116948.db2.gz KQGLVUWTJBRLHH-HNNXBMFYSA-N 1 1 358.442 3.080 20 5 FGBDMO CCC[C@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)CC[N@H+]1Cc1ccccc1 ZINC000450423553 501118814 /nfs/dbraw/zinc/11/88/14/501118814.db2.gz IYSQCLPNZPNSKO-KRWDZBQOSA-N 1 1 355.442 3.184 20 5 FGBDMO COc1cccc([C@H]2[C@H](Nc3ccc([N+](=O)[O-])nc3)CC[N@H+]2C2CC2)c1 ZINC000450426017 501119702 /nfs/dbraw/zinc/11/97/02/501119702.db2.gz BMSXAYSNEMYRAH-MJGOQNOKSA-N 1 1 354.410 3.388 20 5 FGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCN1CCN(c2ccccc2)CC1 ZINC000441399300 501133605 /nfs/dbraw/zinc/13/36/05/501133605.db2.gz JKWQJATWDQTCKZ-SFHVURJKSA-N 1 1 368.481 3.410 20 5 FGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCN1CCN(c2ccccc2)CC1 ZINC000441399300 501133607 /nfs/dbraw/zinc/13/36/07/501133607.db2.gz JKWQJATWDQTCKZ-SFHVURJKSA-N 1 1 368.481 3.410 20 5 FGBDMO CC[N@@H+](CCNc1nccc2cc([N+](=O)[O-])ccc21)CCC(F)(F)F ZINC000450484420 501134082 /nfs/dbraw/zinc/13/40/82/501134082.db2.gz GXGUXMCBIQGKRP-UHFFFAOYSA-N 1 1 356.348 3.251 20 5 FGBDMO COc1ccc(OCC[N@@H+](C)[C@H](CCO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000441421300 501136591 /nfs/dbraw/zinc/13/65/91/501136591.db2.gz IETYEOXTNPFSME-QGZVFWFLSA-N 1 1 360.410 3.038 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1Cl ZINC000450567263 501156079 /nfs/dbraw/zinc/15/60/79/501156079.db2.gz LSLZVPBCOXLKJT-CYBMUJFWSA-N 1 1 362.817 3.338 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1Cl ZINC000450567263 501156082 /nfs/dbraw/zinc/15/60/82/501156082.db2.gz LSLZVPBCOXLKJT-CYBMUJFWSA-N 1 1 362.817 3.338 20 5 FGBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000450810695 501212825 /nfs/dbraw/zinc/21/28/25/501212825.db2.gz MYZXHQXFDGCZQH-OAHLLOKOSA-N 1 1 357.458 3.078 20 5 FGBDMO CC[NH+]1CCN(CC(C)(C)Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000450921438 501229828 /nfs/dbraw/zinc/22/98/28/501229828.db2.gz HVKWZCUBDXYCFV-UHFFFAOYSA-N 1 1 372.416 3.024 20 5 FGBDMO Cc1c(NC(=O)CCn2c[nH+]c3c2C[C@@H](C)[C@@H](C)C3)cccc1[N+](=O)[O-] ZINC000451342321 501270179 /nfs/dbraw/zinc/27/01/79/501270179.db2.gz NQUARWSWCNEYFY-QWHCGFSZSA-N 1 1 356.426 3.499 20 5 FGBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC000451367459 501276175 /nfs/dbraw/zinc/27/61/75/501276175.db2.gz KDYMHGVHPYMOBB-KWJIQHCISA-N 1 1 371.437 3.074 20 5 FGBDMO C[C@@]12C[N@@H+](CCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000451368863 501276830 /nfs/dbraw/zinc/27/68/30/501276830.db2.gz MKZMDGFCLWIXCJ-KGZPDETFSA-N 1 1 369.421 3.037 20 5 FGBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000455463871 501309280 /nfs/dbraw/zinc/30/92/80/501309280.db2.gz MFJASUDGAHJWEE-CQSZACIVSA-N 1 1 360.458 3.495 20 5 FGBDMO CO[C@H]1C[C@H]([N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C12CCC2 ZINC000451823641 501380434 /nfs/dbraw/zinc/38/04/34/501380434.db2.gz APIVHBBYRNLQFI-GJZGRUSLSA-N 1 1 358.398 3.034 20 5 FGBDMO CO[C@H]1C[C@H]([N@@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C12CCC2 ZINC000451823641 501380436 /nfs/dbraw/zinc/38/04/36/501380436.db2.gz APIVHBBYRNLQFI-GJZGRUSLSA-N 1 1 358.398 3.034 20 5 FGBDMO CO[C@@H]1C[C@H]([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000451862943 501388101 /nfs/dbraw/zinc/38/81/01/501388101.db2.gz YKQUNGYNDXIADE-LSDHHAIUSA-N 1 1 367.833 3.076 20 5 FGBDMO CO[C@@H]1C[C@H]([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000451862943 501388103 /nfs/dbraw/zinc/38/81/03/501388103.db2.gz YKQUNGYNDXIADE-LSDHHAIUSA-N 1 1 367.833 3.076 20 5 FGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451882324 501392559 /nfs/dbraw/zinc/39/25/59/501392559.db2.gz CBWHCEUSJYCFKY-NHYWBVRUSA-N 1 1 362.348 3.127 20 5 FGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451882324 501392561 /nfs/dbraw/zinc/39/25/61/501392561.db2.gz CBWHCEUSJYCFKY-NHYWBVRUSA-N 1 1 362.348 3.127 20 5 FGBDMO C[N@H+]1CCC[C@@H](CCNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000458235247 501400506 /nfs/dbraw/zinc/40/05/06/501400506.db2.gz XUCTXDPJXQSYSG-NSHDSACASA-N 1 1 359.348 3.075 20 5 FGBDMO COc1ccc(OCC[N@H+]2CCC[C@]3(CCSC3)C2)c([N+](=O)[O-])c1 ZINC000451961226 501408965 /nfs/dbraw/zinc/40/89/65/501408965.db2.gz DDYQQPNNZUMCGN-KRWDZBQOSA-N 1 1 352.456 3.201 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)N2CC[N@H+](C3CC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000458523370 501465815 /nfs/dbraw/zinc/46/58/15/501465815.db2.gz WBJACDANDBQQHD-ZFWWWQNUSA-N 1 1 360.458 3.090 20 5 FGBDMO O=C([C@@H]1CCCc2[nH+]ccn21)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452863609 501576612 /nfs/dbraw/zinc/57/66/12/501576612.db2.gz VNLLGWHZCLKQCH-WBVHZDCISA-N 1 1 354.410 3.075 20 5 FGBDMO C[N@H+]1CCC[C@@H](CCNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000459262339 501620767 /nfs/dbraw/zinc/62/07/67/501620767.db2.gz LQKKEJJAWUTSFK-HNNXBMFYSA-N 1 1 360.458 3.001 20 5 FGBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000456979256 501629058 /nfs/dbraw/zinc/62/90/58/501629058.db2.gz AHNQIVGXBKGSJX-PXNSSMCTSA-N 1 1 367.449 3.337 20 5 FGBDMO CNc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000592826647 506266067 /nfs/dbraw/zinc/26/60/67/506266067.db2.gz FTSMIMVHEHWKLX-UHFFFAOYSA-N 1 1 354.410 3.023 20 5 FGBDMO CCN1C[C@@H](C)[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C)C1 ZINC000459485279 501661906 /nfs/dbraw/zinc/66/19/06/501661906.db2.gz TZFBHANFMAOYKY-HUUCEWRRSA-N 1 1 358.442 3.207 20 5 FGBDMO CC(C)(C)OC(=O)[C@@]1(C)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000459571333 501679078 /nfs/dbraw/zinc/67/90/78/501679078.db2.gz CQESZHUWYPIRSD-SFHVURJKSA-N 1 1 361.398 3.290 20 5 FGBDMO CC(C)(C)OC(=O)[C@@]1(C)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000459571333 501679081 /nfs/dbraw/zinc/67/90/81/501679081.db2.gz CQESZHUWYPIRSD-SFHVURJKSA-N 1 1 361.398 3.290 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC4(CCC4)[C@@H]4COC[C@H]43)co2)cc1 ZINC000459666168 501695808 /nfs/dbraw/zinc/69/58/08/501695808.db2.gz HBZJVUYNJAMPNK-IAGOWNOFSA-N 1 1 355.394 3.251 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC4(CCC4)[C@@H]4COC[C@H]43)co2)cc1 ZINC000459666168 501695809 /nfs/dbraw/zinc/69/58/09/501695809.db2.gz HBZJVUYNJAMPNK-IAGOWNOFSA-N 1 1 355.394 3.251 20 5 FGBDMO CCCN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000592829344 506269215 /nfs/dbraw/zinc/26/92/15/506269215.db2.gz OCEMPDRBZFBPLV-CYBMUJFWSA-N 1 1 359.348 3.170 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000463453880 501728072 /nfs/dbraw/zinc/72/80/72/501728072.db2.gz WBXMHPVZOJDDKC-NRFANRHFSA-N 1 1 370.449 3.421 20 5 FGBDMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000467511447 501811503 /nfs/dbraw/zinc/81/15/03/501811503.db2.gz PDZKJZJNNMWTNN-CYBMUJFWSA-N 1 1 368.393 3.413 20 5 FGBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485682848 501899670 /nfs/dbraw/zinc/89/96/70/501899670.db2.gz MRUNIGZYWMRVHQ-LBPRGKRZSA-N 1 1 371.384 3.191 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)o1 ZINC000602738089 506280318 /nfs/dbraw/zinc/28/03/18/506280318.db2.gz JJQAQHRKHMXWFN-SMDDNHRTSA-N 1 1 370.327 3.457 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]Cc2ccccc21 ZINC000582541065 506284481 /nfs/dbraw/zinc/28/44/81/506284481.db2.gz SBKJWIUILADYSZ-UHFFFAOYSA-N 1 1 357.435 3.457 20 5 FGBDMO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000464348785 501963377 /nfs/dbraw/zinc/96/33/77/501963377.db2.gz SRESVMXMRZNHFB-QGZVFWFLSA-N 1 1 372.469 3.163 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596162815 506288204 /nfs/dbraw/zinc/28/82/04/506288204.db2.gz PPBQFEKLCRJMOL-OAHLLOKOSA-N 1 1 374.485 3.175 20 5 FGBDMO C[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@@H]1C ZINC000478615734 502034202 /nfs/dbraw/zinc/03/42/02/502034202.db2.gz NZDXURRKUORDRH-UONOGXRCSA-N 1 1 351.472 3.066 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@]3(CC[C@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000475086817 502050875 /nfs/dbraw/zinc/05/08/75/502050875.db2.gz IUFIUAGZPPHRBX-LIRRHRJNSA-N 1 1 362.426 3.159 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@]3(CC[C@@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000475086812 502050913 /nfs/dbraw/zinc/05/09/13/502050913.db2.gz IUFIUAGZPPHRBX-KUHUBIRLSA-N 1 1 362.426 3.159 20 5 FGBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000461257128 502053055 /nfs/dbraw/zinc/05/30/55/502053055.db2.gz LKJNQRQEVCDAED-AWEZNQCLSA-N 1 1 351.472 3.020 20 5 FGBDMO CSc1ccc(C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000468478808 502073601 /nfs/dbraw/zinc/07/36/01/502073601.db2.gz KPIFWOFXXMZBAZ-HNNXBMFYSA-N 1 1 351.472 3.167 20 5 FGBDMO Cc1c(CNC(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000478796315 502088422 /nfs/dbraw/zinc/08/84/22/502088422.db2.gz OYQRBSIDJAOVKM-ZNMIVQPWSA-N 1 1 362.474 3.069 20 5 FGBDMO CSc1cccc(C(=O)Nc2c[nH+]ccc2-n2cccn2)c1[N+](=O)[O-] ZINC000486246004 502096958 /nfs/dbraw/zinc/09/69/58/502096958.db2.gz TXPIMYXVGRPPGZ-UHFFFAOYSA-N 1 1 355.379 3.150 20 5 FGBDMO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2cnc[nH]2)cc1 ZINC000461459888 502122749 /nfs/dbraw/zinc/12/27/49/502122749.db2.gz HJIUESCEUNFOKG-UHFFFAOYSA-N 1 1 368.349 3.049 20 5 FGBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000464977635 502162523 /nfs/dbraw/zinc/16/25/23/502162523.db2.gz NJONDNSICZARON-INIZCTEOSA-N 1 1 371.412 3.328 20 5 FGBDMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])c1 ZINC000471911225 502169495 /nfs/dbraw/zinc/16/94/95/502169495.db2.gz OYMLFDPXDSBKKC-UHFFFAOYSA-N 1 1 373.457 3.178 20 5 FGBDMO CC[N@@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)Cc1ccccc1C ZINC000475564895 502213869 /nfs/dbraw/zinc/21/38/69/502213869.db2.gz YRHVKRKMEWLFIB-UHFFFAOYSA-N 1 1 372.421 3.477 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@H](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000475711553 502261084 /nfs/dbraw/zinc/26/10/84/502261084.db2.gz CFWGWMBYUGJSFE-OAHLLOKOSA-N 1 1 364.442 3.405 20 5 FGBDMO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000472338998 502320902 /nfs/dbraw/zinc/32/09/02/502320902.db2.gz AWJQAWNPUTVBHE-ZBFHGGJFSA-N 1 1 353.422 3.147 20 5 FGBDMO Cn1ccnc1[C@@H](NC[C@@H]1CC[N@H+]1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000599074295 506309896 /nfs/dbraw/zinc/30/98/96/506309896.db2.gz PLVGCLPPEAPULU-OALUTQOASA-N 1 1 369.469 3.024 20 5 FGBDMO Cn1cc(C[NH2+]C(C)(C)c2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])n1 ZINC000602817607 506313470 /nfs/dbraw/zinc/31/34/70/506313470.db2.gz UEVYZMQGKRGQBU-UHFFFAOYSA-N 1 1 358.320 3.252 20 5 FGBDMO CC(C)(CC[NH+]1CCCCCC1)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000480064837 502461983 /nfs/dbraw/zinc/46/19/83/502461983.db2.gz IHCWZCMTOQFVQO-UHFFFAOYSA-N 1 1 373.457 3.246 20 5 FGBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000462503911 502467234 /nfs/dbraw/zinc/46/72/34/502467234.db2.gz RCPAPQASXUGOIX-QGZVFWFLSA-N 1 1 370.453 3.347 20 5 FGBDMO COc1cc(C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc([N+](=O)[O-])c1C ZINC000480085199 502468558 /nfs/dbraw/zinc/46/85/58/502468558.db2.gz UGVSGROUFWHOTC-CQSZACIVSA-N 1 1 371.437 3.162 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)nc1OCc1ccccc1 ZINC000462507640 502469340 /nfs/dbraw/zinc/46/93/40/502469340.db2.gz YKPSRBGEZHYEJG-IAGOWNOFSA-N 1 1 368.437 3.029 20 5 FGBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000462695560 502537280 /nfs/dbraw/zinc/53/72/80/502537280.db2.gz HQNDECZABPXGPI-GJZGRUSLSA-N 1 1 356.426 3.098 20 5 FGBDMO C[C@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000487861138 502549977 /nfs/dbraw/zinc/54/99/77/502549977.db2.gz QUBOIGZCSJQAGN-LSDHHAIUSA-N 1 1 362.474 3.392 20 5 FGBDMO CCc1nn(C)c(NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000480532621 502593683 /nfs/dbraw/zinc/59/36/83/502593683.db2.gz XLOIOJFANXIQCR-KRWDZBQOSA-N 1 1 357.458 3.213 20 5 FGBDMO O=[N+]([O-])c1ccc(CNc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)c(Cl)c1 ZINC000462853694 502601284 /nfs/dbraw/zinc/60/12/84/502601284.db2.gz IKPZEQALOCTCFJ-QGZVFWFLSA-N 1 1 361.829 3.427 20 5 FGBDMO O=[N+]([O-])c1ccccc1/C=C/CNc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000462877101 502611043 /nfs/dbraw/zinc/61/10/43/502611043.db2.gz MMDJANPGYULWGF-QTWIXLPOSA-N 1 1 353.422 3.287 20 5 FGBDMO COCC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1C ZINC000488086112 502622421 /nfs/dbraw/zinc/62/24/21/502622421.db2.gz DSCRZJRNWVSPEJ-GOEBONIOSA-N 1 1 352.431 3.119 20 5 FGBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000480719965 502652649 /nfs/dbraw/zinc/65/26/49/502652649.db2.gz ZBSLAHWKFSYGRB-CVEARBPZSA-N 1 1 362.474 3.166 20 5 FGBDMO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000470151495 502681395 /nfs/dbraw/zinc/68/13/95/502681395.db2.gz IEPCJDJKRFTNPN-UHFFFAOYSA-N 1 1 372.400 3.126 20 5 FGBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000470168090 502689233 /nfs/dbraw/zinc/68/92/33/502689233.db2.gz WNIBJEXLEXTNFL-LPHOPBHVSA-N 1 1 359.470 3.297 20 5 FGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(Cc2cscn2)CC1 ZINC000470174933 502694460 /nfs/dbraw/zinc/69/44/60/502694460.db2.gz ODADPEUHRBVNEV-DHDCSXOGSA-N 1 1 358.467 3.272 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CC(C)(C)CN1CCOCC1 ZINC000470177414 502695982 /nfs/dbraw/zinc/69/59/82/502695982.db2.gz CPWSKYKOEJGOIN-SFQUDFHCSA-N 1 1 361.486 3.288 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(Cc2cccnc2)CC1 ZINC000470204521 502704512 /nfs/dbraw/zinc/70/45/12/502704512.db2.gz VUFBMWLXPXQIDK-SFQUDFHCSA-N 1 1 352.438 3.211 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(c2nc(C)cc(C)n2)CC1 ZINC000470216407 502706681 /nfs/dbraw/zinc/70/66/81/502706681.db2.gz SHCFXUISKWUWKX-RVDMUPIBSA-N 1 1 367.453 3.227 20 5 FGBDMO CN(C)CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000484846724 502753626 /nfs/dbraw/zinc/75/36/26/502753626.db2.gz LFGQTLXPIZQNAD-UHFFFAOYSA-N 1 1 364.490 3.210 20 5 FGBDMO Cn1cc(C[NH2+]C2(c3cccc(OC(F)(F)F)c3)CC2)c([N+](=O)[O-])n1 ZINC000602872439 506332743 /nfs/dbraw/zinc/33/27/43/506332743.db2.gz DQQWJLFEJSNWNC-UHFFFAOYSA-N 1 1 356.304 3.006 20 5 FGBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@@H](C)C1 ZINC000488745501 502801488 /nfs/dbraw/zinc/80/14/88/502801488.db2.gz BHJPCVXZATWURR-JMSVASOKSA-N 1 1 355.385 3.363 20 5 FGBDMO COCC[N@@H+](C)CC[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000505053139 502846222 /nfs/dbraw/zinc/84/62/22/502846222.db2.gz CBJNCMIMIOSUJL-SFHVURJKSA-N 1 1 371.437 3.034 20 5 FGBDMO C[S@@](=O)Cc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000513105886 502853184 /nfs/dbraw/zinc/85/31/84/502853184.db2.gz CYQGOUPYDNRSOF-HSZRJFAPSA-N 1 1 352.843 3.417 20 5 FGBDMO NC(=O)c1cc(S[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000596275833 506338980 /nfs/dbraw/zinc/33/89/80/506338980.db2.gz XMRVMHSYWBOOCM-MRXNPFEDSA-N 1 1 371.462 3.450 20 5 FGBDMO CC(C)[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC(=O)N1CCCCCC1 ZINC000513230899 502885205 /nfs/dbraw/zinc/88/52/05/502885205.db2.gz FXMBHPKKHIPECB-UHFFFAOYSA-N 1 1 363.458 3.087 20 5 FGBDMO COc1ccccc1C[NH+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000513412062 502931422 /nfs/dbraw/zinc/93/14/22/502931422.db2.gz TWVVTAGPTXJVMG-RMKNXTFCSA-N 1 1 367.449 3.434 20 5 FGBDMO CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000513466958 502946950 /nfs/dbraw/zinc/94/69/50/502946950.db2.gz NJRJUBUURRGKTQ-KRWDZBQOSA-N 1 1 358.467 3.387 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](c2ccccc2)C(C)(C)CO)c1 ZINC000593026614 506343986 /nfs/dbraw/zinc/34/39/86/506343986.db2.gz DPJQWZUERFOYQU-GOSISDBHSA-N 1 1 372.421 3.231 20 5 FGBDMO Cc1nc(CC[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)sc1C ZINC000513666795 502995201 /nfs/dbraw/zinc/99/52/01/502995201.db2.gz OBPWKDGFMDSLCR-QGZVFWFLSA-N 1 1 371.466 3.323 20 5 FGBDMO CN1CC[N@@H+](CCCNc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000506051575 503036430 /nfs/dbraw/zinc/03/64/30/503036430.db2.gz LXQUGYMZXSPQQL-HXUWFJFHSA-N 1 1 354.454 3.386 20 5 FGBDMO C[N@@H+]1CCN(CCCNc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000506051575 503036435 /nfs/dbraw/zinc/03/64/35/503036435.db2.gz LXQUGYMZXSPQQL-HXUWFJFHSA-N 1 1 354.454 3.386 20 5 FGBDMO C[N@H+]1CCN(CCCNc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000506051575 503036440 /nfs/dbraw/zinc/03/64/40/503036440.db2.gz LXQUGYMZXSPQQL-HXUWFJFHSA-N 1 1 354.454 3.386 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNc3c([N+](=O)[O-])ncn3C)cc2)C1 ZINC000510097801 503049229 /nfs/dbraw/zinc/04/92/29/503049229.db2.gz FUAKVBVPSWZUGE-GASCZTMLSA-N 1 1 357.458 3.418 20 5 FGBDMO COc1ccc(-c2ccc(CN3CC[N@@H+](C)CC[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000514090278 503084714 /nfs/dbraw/zinc/08/47/14/503084714.db2.gz UQWWKSLMELJEPV-AWEZNQCLSA-N 1 1 359.426 3.389 20 5 FGBDMO COc1ccc(-c2ccc(C[N@@H+]3CCN(C)CC[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000514090278 503084718 /nfs/dbraw/zinc/08/47/18/503084718.db2.gz UQWWKSLMELJEPV-AWEZNQCLSA-N 1 1 359.426 3.389 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+]3CCN(C)CC[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000514090278 503084722 /nfs/dbraw/zinc/08/47/22/503084722.db2.gz UQWWKSLMELJEPV-AWEZNQCLSA-N 1 1 359.426 3.389 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000510383454 503103696 /nfs/dbraw/zinc/10/36/96/503103696.db2.gz XEZBUWTZGYGVMP-MJBXVCDLSA-N 1 1 364.446 3.091 20 5 FGBDMO C[N@@H+](CCC(=O)N1CCc2ccccc21)CCc1ccccc1[N+](=O)[O-] ZINC000511062237 503244575 /nfs/dbraw/zinc/24/45/75/503244575.db2.gz CWVXLNWEHQZTPZ-UHFFFAOYSA-N 1 1 353.422 3.049 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000511073137 503247767 /nfs/dbraw/zinc/24/77/67/503247767.db2.gz OJPJNMVVSBJEMQ-UHFFFAOYSA-N 1 1 357.410 3.107 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000511073137 503247770 /nfs/dbraw/zinc/24/77/70/503247770.db2.gz OJPJNMVVSBJEMQ-UHFFFAOYSA-N 1 1 357.410 3.107 20 5 FGBDMO Cc1nc(NC(=O)[C@@H](C)[N@H+](C)CCc2ccccc2[N+](=O)[O-])sc1C ZINC000511110082 503257551 /nfs/dbraw/zinc/25/75/51/503257551.db2.gz ULFDASUNGSVBJN-GFCCVEGCSA-N 1 1 362.455 3.170 20 5 FGBDMO Cc1nc(NC(=O)[C@@H](C)[N@@H+](C)CCc2ccccc2[N+](=O)[O-])sc1C ZINC000511110082 503257553 /nfs/dbraw/zinc/25/75/53/503257553.db2.gz ULFDASUNGSVBJN-GFCCVEGCSA-N 1 1 362.455 3.170 20 5 FGBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000498778133 503262378 /nfs/dbraw/zinc/26/23/78/503262378.db2.gz SUFMRTOQLDKFJH-JTQLQIEISA-N 1 1 360.336 3.172 20 5 FGBDMO CCCc1[nH+]ccn1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000502890134 503300540 /nfs/dbraw/zinc/30/05/40/503300540.db2.gz VHEPDDGPFOOJMX-UHFFFAOYSA-N 1 1 355.341 3.445 20 5 FGBDMO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511351909 503305314 /nfs/dbraw/zinc/30/53/14/503305314.db2.gz RGSDIIPHRYWFME-DZGCQCFKSA-N 1 1 363.433 3.046 20 5 FGBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000511423218 503318988 /nfs/dbraw/zinc/31/89/88/503318988.db2.gz XNIGZSVHWBKZMK-QGZVFWFLSA-N 1 1 362.474 3.043 20 5 FGBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000503615188 503446171 /nfs/dbraw/zinc/44/61/71/503446171.db2.gz MSTQQMJTKAUPGH-OAHLLOKOSA-N 1 1 358.442 3.461 20 5 FGBDMO O=[N+]([O-])c1cccc(CN2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000593068967 506372725 /nfs/dbraw/zinc/37/27/25/506372725.db2.gz QETSDVOAWBBPLT-SFTDATJTSA-N 1 1 367.449 3.070 20 5 FGBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000499745099 503472072 /nfs/dbraw/zinc/47/20/72/503472072.db2.gz WEZIYEXJZKPGDY-QGZVFWFLSA-N 1 1 374.485 3.189 20 5 FGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000512369074 503529890 /nfs/dbraw/zinc/52/98/90/503529890.db2.gz UISJXUPSTWYSBZ-SFHVURJKSA-N 1 1 356.422 3.346 20 5 FGBDMO O=C(CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccc(F)cc1 ZINC000512450292 503555108 /nfs/dbraw/zinc/55/51/08/503555108.db2.gz QPOKCMZPEFLZHO-UHFFFAOYSA-N 1 1 357.385 3.129 20 5 FGBDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000512450827 503555317 /nfs/dbraw/zinc/55/53/17/503555317.db2.gz VRKSNFAWEQDZEO-GXTWGEPZSA-N 1 1 369.849 3.202 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC4(CC4(F)F)CC3)o2)cc1 ZINC000593078245 506379131 /nfs/dbraw/zinc/37/91/31/506379131.db2.gz XRQMLUYDXDKIPY-UHFFFAOYSA-N 1 1 350.325 3.266 20 5 FGBDMO Cc1noc(C2(C)CC[NH+](Cc3c(Cl)cccc3[N+](=O)[O-])CC2)n1 ZINC000494793975 503611558 /nfs/dbraw/zinc/61/15/58/503611558.db2.gz WWZVBHMZLZIXQM-UHFFFAOYSA-N 1 1 350.806 3.493 20 5 FGBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cccc(C)c2)c([N+](=O)[O-])c1 ZINC000532920786 503656022 /nfs/dbraw/zinc/65/60/22/503656022.db2.gz WSFSBNKAUKOIAL-CQSZACIVSA-N 1 1 357.410 3.371 20 5 FGBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cccc(C)c2)c([N+](=O)[O-])c1 ZINC000532920786 503656027 /nfs/dbraw/zinc/65/60/27/503656027.db2.gz WSFSBNKAUKOIAL-CQSZACIVSA-N 1 1 357.410 3.371 20 5 FGBDMO NC(=O)c1ccc(C[N@@H+](CCc2ccc(F)cc2)C2CC2)c([N+](=O)[O-])c1 ZINC000532976051 503683216 /nfs/dbraw/zinc/68/32/16/503683216.db2.gz XLGFGIYGHLGBRN-UHFFFAOYSA-N 1 1 357.385 3.040 20 5 FGBDMO C[N@@H+](CCC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCCCC1 ZINC000517272024 503702102 /nfs/dbraw/zinc/70/21/02/503702102.db2.gz YTIZBLLVXHKSTN-UHFFFAOYSA-N 1 1 372.469 3.389 20 5 FGBDMO COC(=O)CC[N@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000527304576 503758557 /nfs/dbraw/zinc/75/85/57/503758557.db2.gz ZKNIYITYVJTGCK-VHUCWBOISA-N 1 1 362.426 3.042 20 5 FGBDMO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1c(C)nn(C)c1C ZINC000543456378 503778234 /nfs/dbraw/zinc/77/82/34/503778234.db2.gz FFTGMENPRJPBGY-INIZCTEOSA-N 1 1 360.414 3.053 20 5 FGBDMO Cn1cc(C[N@@H+](C)Cc2cccc(O)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000533255898 503779659 /nfs/dbraw/zinc/77/96/59/503779659.db2.gz QOLMFOFFLFEHLS-UHFFFAOYSA-N 1 1 352.394 3.333 20 5 FGBDMO C[C@@H]1c2ccccc2CC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000533310830 503803630 /nfs/dbraw/zinc/80/36/30/503803630.db2.gz YLSZHEPOURHXJY-CQSZACIVSA-N 1 1 351.406 3.103 20 5 FGBDMO C[C@@H]1c2ccccc2CC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000533310830 503803633 /nfs/dbraw/zinc/80/36/33/503803633.db2.gz YLSZHEPOURHXJY-CQSZACIVSA-N 1 1 351.406 3.103 20 5 FGBDMO COC1CCN(C2(C[NH2+]Cc3csc([N+](=O)[O-])c3)CCCC2)CC1 ZINC000540614094 503834551 /nfs/dbraw/zinc/83/45/51/503834551.db2.gz CDDAMKUKPGEKHS-UHFFFAOYSA-N 1 1 353.488 3.170 20 5 FGBDMO CCO[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1(C)C ZINC000533429888 503842028 /nfs/dbraw/zinc/84/20/28/503842028.db2.gz UQITYRHMECJVQX-SJORKVTESA-N 1 1 363.458 3.367 20 5 FGBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CC)CC1 ZINC000540788665 503893199 /nfs/dbraw/zinc/89/31/99/503893199.db2.gz JXLJTHDSNWRUDS-UHFFFAOYSA-N 1 1 351.472 3.265 20 5 FGBDMO C[C@@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000518045551 503897601 /nfs/dbraw/zinc/89/76/01/503897601.db2.gz WIJXMUMUSGMIKQ-CVEARBPZSA-N 1 1 362.474 3.024 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])C1CC1 ZINC000518233396 503932885 /nfs/dbraw/zinc/93/28/85/503932885.db2.gz UBDKWONZRQSHOA-SFHVURJKSA-N 1 1 368.437 3.016 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@H+]2C[C@H](C)[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000543905034 503936041 /nfs/dbraw/zinc/93/60/41/503936041.db2.gz AXZYFWBHANURDD-LXZKKBNFSA-N 1 1 361.442 3.443 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000541022936 503978069 /nfs/dbraw/zinc/97/80/69/503978069.db2.gz OVQZWDZQJBPWDL-OAHLLOKOSA-N 1 1 370.327 3.445 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(Oc2cc(C)ccn2)CC1 ZINC000541119407 504015263 /nfs/dbraw/zinc/01/52/63/504015263.db2.gz FOUDXRYWPVZKGU-UHFFFAOYSA-N 1 1 357.410 3.350 20 5 FGBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000518922866 504094769 /nfs/dbraw/zinc/09/47/69/504094769.db2.gz LUITUACCWLZSEV-HNNXBMFYSA-N 1 1 362.474 3.418 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000537957926 504095486 /nfs/dbraw/zinc/09/54/86/504095486.db2.gz ZMQISCFXYFQNLU-HNNXBMFYSA-N 1 1 358.442 3.089 20 5 FGBDMO Cc1cnc([C@@H](C)[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)o1 ZINC000547833330 504240955 /nfs/dbraw/zinc/24/09/55/504240955.db2.gz XOYAFSRHBCUHPC-CYBMUJFWSA-N 1 1 370.413 3.041 20 5 FGBDMO Cc1cnc([C@@H](C)[N@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)o1 ZINC000547833330 504240958 /nfs/dbraw/zinc/24/09/58/504240958.db2.gz XOYAFSRHBCUHPC-CYBMUJFWSA-N 1 1 370.413 3.041 20 5 FGBDMO CC(C)c1ccc(C[NH2+]Cc2cc(=O)n3ccccc3n2)cc1[N+](=O)[O-] ZINC000519535763 504244156 /nfs/dbraw/zinc/24/41/56/504244156.db2.gz BJLOAXJNVUSROG-UHFFFAOYSA-N 1 1 352.394 3.016 20 5 FGBDMO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000544765979 504251347 /nfs/dbraw/zinc/25/13/47/504251347.db2.gz HPJVDXKTSCTXJD-INIZCTEOSA-N 1 1 371.412 3.471 20 5 FGBDMO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1Cc1ccccc1 ZINC000544765979 504251351 /nfs/dbraw/zinc/25/13/51/504251351.db2.gz HPJVDXKTSCTXJD-INIZCTEOSA-N 1 1 371.412 3.471 20 5 FGBDMO COc1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000534835993 504255084 /nfs/dbraw/zinc/25/50/84/504255084.db2.gz FQUZAXYTPJDBTJ-AWEZNQCLSA-N 1 1 369.421 3.031 20 5 FGBDMO COc1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000534835993 504255089 /nfs/dbraw/zinc/25/50/89/504255089.db2.gz FQUZAXYTPJDBTJ-AWEZNQCLSA-N 1 1 369.421 3.031 20 5 FGBDMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534983942 504302247 /nfs/dbraw/zinc/30/22/47/504302247.db2.gz NBVNXXNHDUVTDF-HNNXBMFYSA-N 1 1 364.405 3.080 20 5 FGBDMO COc1c(C)cc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1C ZINC000538736090 504350479 /nfs/dbraw/zinc/35/04/79/504350479.db2.gz YPPUVTWYKIXNBC-MRXNPFEDSA-N 1 1 356.426 3.302 20 5 FGBDMO CNC(=O)CC[N@@H+](C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000538739356 504351957 /nfs/dbraw/zinc/35/19/57/504351957.db2.gz VYVPKKNJDIAGAT-UHFFFAOYSA-N 1 1 361.373 3.094 20 5 FGBDMO CC(C)[N@H+](Cc1ccc(F)cc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000520183380 504428725 /nfs/dbraw/zinc/42/87/25/504428725.db2.gz WJWSCXNFBJNWMT-GOSISDBHSA-N 1 1 362.401 3.384 20 5 FGBDMO CC[N@@H+]1CC[C@H](Nc2c([N+](=O)[O-])ncn2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539107127 504474410 /nfs/dbraw/zinc/47/44/10/504474410.db2.gz NRFXQFMSGORHQI-UONOGXRCSA-N 1 1 367.812 3.368 20 5 FGBDMO CC[N@H+]1CC[C@H](Nc2c([N+](=O)[O-])ncn2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539107127 504474417 /nfs/dbraw/zinc/47/44/17/504474417.db2.gz NRFXQFMSGORHQI-UONOGXRCSA-N 1 1 367.812 3.368 20 5 FGBDMO O=[N+]([O-])c1cc(I)cc(C[NH+]2C[C@H]3CCC[C@@H]3C2)c1 ZINC000520461641 504504332 /nfs/dbraw/zinc/50/43/32/504504332.db2.gz OECZVWJODPDIOS-VXGBXAGGSA-N 1 1 372.206 3.431 20 5 FGBDMO Cn1ccc([C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])c2ccc(F)cc2)n1 ZINC000548722014 504540492 /nfs/dbraw/zinc/54/04/92/504540492.db2.gz HZYZAKFVONNULP-LJQANCHMSA-N 1 1 354.385 3.389 20 5 FGBDMO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000532125632 504543253 /nfs/dbraw/zinc/54/32/53/504543253.db2.gz INWPGSNKGWOXLA-OAHLLOKOSA-N 1 1 364.442 3.417 20 5 FGBDMO COc1ccc(C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC2CCC2)c(OC)c1 ZINC000548931857 504625222 /nfs/dbraw/zinc/62/52/22/504625222.db2.gz FDOUEDXMPHWMNE-UHFFFAOYSA-N 1 1 374.441 3.111 20 5 FGBDMO C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000548933285 504626385 /nfs/dbraw/zinc/62/63/85/504626385.db2.gz ARDUXWCUFHIHBD-HOTGVXAUSA-N 1 1 367.449 3.435 20 5 FGBDMO C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000548933285 504626387 /nfs/dbraw/zinc/62/63/87/504626387.db2.gz ARDUXWCUFHIHBD-HOTGVXAUSA-N 1 1 367.449 3.435 20 5 FGBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000539671313 504646282 /nfs/dbraw/zinc/64/62/82/504646282.db2.gz GUEAGODDUWZAMB-CQSZACIVSA-N 1 1 351.472 3.311 20 5 FGBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000536278161 504686277 /nfs/dbraw/zinc/68/62/77/504686277.db2.gz CNXXGLPFTLLACR-HXUWFJFHSA-N 1 1 367.449 3.308 20 5 FGBDMO Cc1ccc(OC[C@@H](O)C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000549173628 504712242 /nfs/dbraw/zinc/71/22/42/504712242.db2.gz TYXQGBOLEICGIL-IBGZPJMESA-N 1 1 358.438 3.126 20 5 FGBDMO CC[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000546109769 504712197 /nfs/dbraw/zinc/71/21/97/504712197.db2.gz RXQZEAXIKGEJMZ-IBGZPJMESA-N 1 1 367.449 3.260 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000565064456 504785261 /nfs/dbraw/zinc/78/52/61/504785261.db2.gz MVBREZLCXXGUJF-FQEVSTJZSA-N 1 1 353.422 3.298 20 5 FGBDMO NC(=O)c1cccc(NC[C@H]2CCCC[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000553008525 504803703 /nfs/dbraw/zinc/80/37/03/504803703.db2.gz LACWEBJSBJKXMR-MRXNPFEDSA-N 1 1 368.437 3.160 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000553153292 504839486 /nfs/dbraw/zinc/83/94/86/504839486.db2.gz MEDKQQOHVMREPT-PBHICJAKSA-N 1 1 368.437 3.016 20 5 FGBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC000559450144 504866509 /nfs/dbraw/zinc/86/65/09/504866509.db2.gz DPDPBJYOJPQILV-IBGZPJMESA-N 1 1 365.433 3.430 20 5 FGBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000565454788 504891419 /nfs/dbraw/zinc/89/14/19/504891419.db2.gz IFVOJUQIZFJMLJ-LLVKDONJSA-N 1 1 361.364 3.464 20 5 FGBDMO C[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@H]1Cc1ccccc1 ZINC000559963900 504959988 /nfs/dbraw/zinc/95/99/88/504959988.db2.gz WSZHWRTZKJLUFL-MRXNPFEDSA-N 1 1 372.400 3.125 20 5 FGBDMO 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CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000609546476 506917543 /nfs/dbraw/zinc/91/75/43/506917543.db2.gz PLBMMSNSAWIMIL-OAHLLOKOSA-N 1 1 362.474 3.295 20 5 FGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000600470886 506962532 /nfs/dbraw/zinc/96/25/32/506962532.db2.gz JMYWRXUWKOUAEK-CJNGLKHVSA-N 1 1 363.483 3.209 20 5 FGBDMO CC(C)(C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1F ZINC000594195090 507000301 /nfs/dbraw/zinc/00/03/01/507000301.db2.gz BXAIJRWNIRFIHI-IAGOWNOFSA-N 1 1 363.433 3.145 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594198246 507002587 /nfs/dbraw/zinc/00/25/87/507002587.db2.gz TZDRKFNJPJIEHZ-HOTGVXAUSA-N 1 1 363.483 3.454 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594200272 507002888 /nfs/dbraw/zinc/00/28/88/507002888.db2.gz KKFQPLYRHMXGBX-RRQGHBQHSA-N 1 1 363.483 3.209 20 5 FGBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000597606935 507028823 /nfs/dbraw/zinc/02/88/23/507028823.db2.gz ZGYMGDUZVQZXFX-CYBMUJFWSA-N 1 1 359.348 3.170 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CC(Cc3ccc(F)cc3)C2)c1 ZINC000590968618 507065707 /nfs/dbraw/zinc/06/57/07/507065707.db2.gz ZSKMAODBIUKQTJ-UHFFFAOYSA-N 1 1 358.369 3.195 20 5 FGBDMO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC[N@H+](C2CCCC2)CC1 ZINC000609996856 507066158 /nfs/dbraw/zinc/06/61/58/507066158.db2.gz APLQYDHWKKROPX-UHFFFAOYSA-N 1 1 370.453 3.026 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000597711518 507070542 /nfs/dbraw/zinc/07/05/42/507070542.db2.gz UIDDNSBXWXBFQT-SFHVURJKSA-N 1 1 363.483 3.265 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000597860193 507137577 /nfs/dbraw/zinc/13/75/77/507137577.db2.gz LNPWBDLQDUIFRH-LLVKDONJSA-N 1 1 359.348 3.216 20 5 FGBDMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000610239013 507153792 /nfs/dbraw/zinc/15/37/92/507153792.db2.gz PBTKYIRYWLHOMC-UHFFFAOYSA-N 1 1 350.378 3.327 20 5 FGBDMO O=C(c1cc(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-])N1CCCC1 ZINC000594598043 507202381 /nfs/dbraw/zinc/20/23/81/507202381.db2.gz GDSVPTJFSMLPAK-IEBWSBKVSA-N 1 1 372.469 3.260 20 5 FGBDMO CCN(C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](CC)C1 ZINC000598043233 507231256 /nfs/dbraw/zinc/23/12/56/507231256.db2.gz SDIYMFCOMATMAC-HIFRSBDPSA-N 1 1 351.472 3.018 20 5 FGBDMO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000610467051 507251163 /nfs/dbraw/zinc/25/11/63/507251163.db2.gz LFEARAPGYHODND-HXUWFJFHSA-N 1 1 368.437 3.051 20 5 FGBDMO O=[N+]([O-])c1cnccc1N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000610469407 507251726 /nfs/dbraw/zinc/25/17/26/507251726.db2.gz DNLIIEBJZWLFQD-HXUWFJFHSA-N 1 1 352.438 3.482 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCCN(c4nccs4)CC3)c2c1 ZINC000601108834 507262649 /nfs/dbraw/zinc/26/26/49/507262649.db2.gz PYZCKWPTFABEHH-UHFFFAOYSA-N 1 1 355.423 3.316 20 5 FGBDMO C[C@](CO)([NH2+]Cc1ccc(OC(F)F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000601149998 507278858 /nfs/dbraw/zinc/27/88/58/507278858.db2.gz RQQWKSUJBNLPDJ-QGZVFWFLSA-N 1 1 370.327 3.333 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000610543164 507284594 /nfs/dbraw/zinc/28/45/94/507284594.db2.gz PUAFOVZLXAHCOF-LJQANCHMSA-N 1 1 355.438 3.180 20 5 FGBDMO CN(Cc1ccccc1)[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000610543164 507284605 /nfs/dbraw/zinc/28/46/05/507284605.db2.gz PUAFOVZLXAHCOF-LJQANCHMSA-N 1 1 355.438 3.180 20 5 FGBDMO CN(Cc1ccccc1)[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000610543164 507284613 /nfs/dbraw/zinc/28/46/13/507284613.db2.gz PUAFOVZLXAHCOF-LJQANCHMSA-N 1 1 355.438 3.180 20 5 FGBDMO CC(C)(C)c1nnc2n1CCN(c1cc[nH+]c3ccc([N+](=O)[O-])cc31)C2 ZINC000601199016 507293156 /nfs/dbraw/zinc/29/31/56/507293156.db2.gz MOEGVLDQYDEZTA-UHFFFAOYSA-N 1 1 352.398 3.052 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2ccc(CNC3CC[NH+]([C@H]4CCOC4)CC3)o2)c1 ZINC000594994947 507346550 /nfs/dbraw/zinc/34/65/50/507346550.db2.gz XSXCUPSZXVUUKA-SFHVURJKSA-N 1 1 371.437 3.198 20 5 FGBDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595298309 507452667 /nfs/dbraw/zinc/45/26/67/507452667.db2.gz QDGWBHLJNBCMKY-ZFWWWQNUSA-N 1 1 351.422 3.251 20 5 FGBDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595298309 507452674 /nfs/dbraw/zinc/45/26/74/507452674.db2.gz QDGWBHLJNBCMKY-ZFWWWQNUSA-N 1 1 351.422 3.251 20 5 FGBDMO COc1cccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1Cl ZINC000595369957 507472197 /nfs/dbraw/zinc/47/21/97/507472197.db2.gz BYTZZKJABRUCRP-CYBMUJFWSA-N 1 1 362.817 3.338 20 5 FGBDMO COc1cccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1Cl ZINC000595369957 507472204 /nfs/dbraw/zinc/47/22/04/507472204.db2.gz BYTZZKJABRUCRP-CYBMUJFWSA-N 1 1 362.817 3.338 20 5 FGBDMO C[C@@H](C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000598558837 507486528 /nfs/dbraw/zinc/48/65/28/507486528.db2.gz DYUHUAIYXVJJPS-UKRRQHHQSA-N 1 1 363.433 3.076 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[N@H+](CCc1ccncc1)[C@H]1CC[C@H](O)CC1 ZINC000592131059 507497006 /nfs/dbraw/zinc/49/70/06/507497006.db2.gz SJLLOAYFYQBBMR-WGSAOQKQSA-N 1 1 355.438 3.338 20 5 FGBDMO Cc1noc(C[NH2+][C@@]2(Cc3ccc(Cl)cc3)CCOC2)c1[N+](=O)[O-] ZINC000595476950 507519446 /nfs/dbraw/zinc/51/94/46/507519446.db2.gz QMRJKZFIHSPJAJ-MRXNPFEDSA-N 1 1 351.790 3.036 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC3(C[C@@H]2C)CCOCC3)cccc1[N+](=O)[O-] ZINC000592184314 507527272 /nfs/dbraw/zinc/52/72/72/507527272.db2.gz NOZOMEBJVGJEOI-ZFWWWQNUSA-N 1 1 361.442 3.121 20 5 FGBDMO CN1CCC([N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C2)CC1 ZINC000611132458 507528313 /nfs/dbraw/zinc/52/83/13/507528313.db2.gz IDIIQVIRKPBYHG-ZDUSSCGKSA-N 1 1 372.391 3.194 20 5 FGBDMO C[NH+]1CCC(N2CC[C@H](Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C2)CC1 ZINC000611132458 507528314 /nfs/dbraw/zinc/52/83/14/507528314.db2.gz IDIIQVIRKPBYHG-ZDUSSCGKSA-N 1 1 372.391 3.194 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H](C(F)F)C2CCCCC2)c1 ZINC000598650367 507534264 /nfs/dbraw/zinc/53/42/64/507534264.db2.gz OSVQZTRPYHDSQB-HOCLYGCPSA-N 1 1 358.385 3.138 20 5 FGBDMO CC(=O)c1nc(CC[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]c1C ZINC000595523127 507543651 /nfs/dbraw/zinc/54/36/51/507543651.db2.gz IESKSNNFZYGJJT-INIZCTEOSA-N 1 1 356.426 3.251 20 5 FGBDMO CC(=O)c1[nH]c(CC[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)nc1C ZINC000595523127 507543652 /nfs/dbraw/zinc/54/36/52/507543652.db2.gz IESKSNNFZYGJJT-INIZCTEOSA-N 1 1 356.426 3.251 20 5 FGBDMO CC(=O)c1[nH]c(CC[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)nc1C ZINC000595523127 507543655 /nfs/dbraw/zinc/54/36/55/507543655.db2.gz IESKSNNFZYGJJT-INIZCTEOSA-N 1 1 356.426 3.251 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCN(C(C)=O)c2ccccc21 ZINC000598678522 507549238 /nfs/dbraw/zinc/54/92/38/507549238.db2.gz RCKXMAJVTMEAMT-KRWDZBQOSA-N 1 1 355.394 3.191 20 5 FGBDMO Cc1noc(CN(C(C)C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000595556947 507559203 /nfs/dbraw/zinc/55/92/03/507559203.db2.gz HDSCJTWNMHBGQD-KRWDZBQOSA-N 1 1 358.442 3.376 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[N@H+](CCO[C@H]1CC1(F)F)[C@H]1CC[C@H](O)CC1 ZINC000595561246 507562323 /nfs/dbraw/zinc/56/23/23/507562323.db2.gz CYDNIVHLTNMJRN-ZOBUZTSGSA-N 1 1 370.396 3.125 20 5 FGBDMO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000595627881 507599794 /nfs/dbraw/zinc/59/97/94/507599794.db2.gz AHCLBZUGYLCIMJ-UTUOFQBUSA-N 1 1 360.332 3.329 20 5 FGBDMO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000595627881 507599799 /nfs/dbraw/zinc/59/97/99/507599799.db2.gz AHCLBZUGYLCIMJ-UTUOFQBUSA-N 1 1 360.332 3.329 20 5 FGBDMO COc1ccc(OCC[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c([N+](=O)[O-])c1 ZINC000595786937 507686046 /nfs/dbraw/zinc/68/60/46/507686046.db2.gz CZANTUCWIOGXBV-CRAIPNDOSA-N 1 1 364.442 3.263 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595790399 507687369 /nfs/dbraw/zinc/68/73/69/507687369.db2.gz PRFDNQMOOMTWKK-NVXWUHKLSA-N 1 1 361.442 3.123 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595790399 507687375 /nfs/dbraw/zinc/68/73/75/507687375.db2.gz PRFDNQMOOMTWKK-NVXWUHKLSA-N 1 1 361.442 3.123 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595821763 507700111 /nfs/dbraw/zinc/70/01/11/507700111.db2.gz FRLFWTATKLVSPC-UHFFFAOYSA-N 1 1 373.453 3.123 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](N(C)c2ccccc2)C1 ZINC000595825751 507702130 /nfs/dbraw/zinc/70/21/30/507702130.db2.gz GFLSEWFRJYWBKX-SFHVURJKSA-N 1 1 368.437 3.052 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](N(C)c2ccccc2)C1 ZINC000595825751 507702134 /nfs/dbraw/zinc/70/21/34/507702134.db2.gz GFLSEWFRJYWBKX-SFHVURJKSA-N 1 1 368.437 3.052 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)c1 ZINC000595831407 507705484 /nfs/dbraw/zinc/70/54/84/507705484.db2.gz NBHYIEGXBISFRH-QGZVFWFLSA-N 1 1 356.378 3.035 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)c1 ZINC000595831407 507705489 /nfs/dbraw/zinc/70/54/89/507705489.db2.gz NBHYIEGXBISFRH-QGZVFWFLSA-N 1 1 356.378 3.035 20 5 FGBDMO C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCc2ccccc21 ZINC000595881180 507725242 /nfs/dbraw/zinc/72/52/42/507725242.db2.gz RSMJZLASDKNVPC-INIZCTEOSA-N 1 1 374.462 3.030 20 5 FGBDMO C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCc2ccccc21 ZINC000595881180 507725247 /nfs/dbraw/zinc/72/52/47/507725247.db2.gz RSMJZLASDKNVPC-INIZCTEOSA-N 1 1 374.462 3.030 20 5 FGBDMO C[C@@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000611560779 507739637 /nfs/dbraw/zinc/73/96/37/507739637.db2.gz SLGCXVSGCDJOCE-KSSFIOAISA-N 1 1 351.410 3.206 20 5 FGBDMO C[C@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000611572903 507747779 /nfs/dbraw/zinc/74/77/79/507747779.db2.gz PHRCJNRWUAYZRU-ZFWWWQNUSA-N 1 1 370.453 3.459 20 5 FGBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000820120286 607060209 /nfs/dbraw/zinc/06/02/09/607060209.db2.gz AGLZTNUXSVGDSB-UHFFFAOYSA-N 1 1 370.388 3.325 20 5 FGBDMO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824531248 609155434 /nfs/dbraw/zinc/15/54/34/609155434.db2.gz OKVIBEXGUZZULN-QWRGUYRKSA-N 1 1 356.361 3.326 20 5 FGBDMO C[N@H+](Cc1ccc(OC(F)F)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136810024 704864487 /nfs/dbraw/zinc/86/44/87/704864487.db2.gz DDVJJXKETZOLKZ-MRXNPFEDSA-N 1 1 352.337 3.362 20 5 FGBDMO CC(C)c1[nH+]ccn1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000182843123 705864502 /nfs/dbraw/zinc/86/45/02/705864502.db2.gz AAWUPPZIJYSKHH-UHFFFAOYSA-N 1 1 367.203 3.316 20 5 FGBDMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1Cl ZINC000384532549 713982135 /nfs/dbraw/zinc/98/21/35/713982135.db2.gz QKOPQIOWPBNFCC-AWEZNQCLSA-N 1 1 359.813 3.253 20 5 FGBDMO O=[N+]([O-])c1cnc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c(F)c1 ZINC001164623701 719072339 /nfs/dbraw/zinc/07/23/39/719072339.db2.gz KONKKXIRIZYBTG-YJBOKZPZSA-N 1 1 356.401 3.230 20 5 FGBDMO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)OCc1ccc([N+](=O)[O-])cc1Cl ZINC000782342282 724655694 /nfs/dbraw/zinc/65/56/94/724655694.db2.gz UYBQAECCZPVHRI-INIZCTEOSA-N 1 1 370.833 3.085 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164861644 720969701 /nfs/dbraw/zinc/96/97/01/720969701.db2.gz QCKOYHUTRDQUDS-HNNXBMFYSA-N 1 1 372.473 3.225 20 5 FGBDMO O=[N+]([O-])c1cnc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c(F)c1 ZINC001164952977 722015614 /nfs/dbraw/zinc/01/56/14/722015614.db2.gz QCXNSMZSIKPDOV-UHFFFAOYSA-N 1 1 371.416 3.016 20 5 FGBDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H](C)O1 ZINC000735490914 722516758 /nfs/dbraw/zinc/51/67/58/722516758.db2.gz VCRAXIJELCBOED-VBQJREDUSA-N 1 1 367.877 3.322 20 5 FGBDMO O=C([C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1)N1CCCC1 ZINC000735562048 722517401 /nfs/dbraw/zinc/51/74/01/722517401.db2.gz HXZMFRYDDQRUTD-CYBMUJFWSA-N 1 1 351.834 3.083 20 5 FGBDMO O=C([C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1)N1CCCC1 ZINC000735562048 722517402 /nfs/dbraw/zinc/51/74/02/722517402.db2.gz HXZMFRYDDQRUTD-CYBMUJFWSA-N 1 1 351.834 3.083 20 5 FGBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000756966971 722972563 /nfs/dbraw/zinc/97/25/63/722972563.db2.gz GROZBBAVGUQEBO-CYBMUJFWSA-N 1 1 368.865 3.168 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000757100839 722974434 /nfs/dbraw/zinc/97/44/34/722974434.db2.gz IXKFKZHNXASNCW-ZDUSSCGKSA-N 1 1 368.865 3.312 20 5 FGBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790571154 723154590 /nfs/dbraw/zinc/15/45/90/723154590.db2.gz CTKXHTROJFBMBL-NEPJUHHUSA-N 1 1 371.840 3.166 20 5 FGBDMO C[C@@]12CC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@H]1C2(Cl)Cl ZINC000792901329 723379529 /nfs/dbraw/zinc/37/95/29/723379529.db2.gz BSABYXMNPDVEDU-DZGCQCFKSA-N 1 1 372.252 3.439 20 5 FGBDMO COC(=O)c1cc([N+](=O)[O-])c(N(C)CC[C@@H]2CCCC[N@H+]2C)cc1Cl ZINC000765511336 723519283 /nfs/dbraw/zinc/51/92/83/723519283.db2.gz WTGKAPHTHYTOQQ-LBPRGKRZSA-N 1 1 369.849 3.345 20 5 FGBDMO C[N@H+](Cc1ccccc1)C[C@H](O)COc1cc(F)c([N+](=O)[O-])cc1Cl ZINC000794753364 723544447 /nfs/dbraw/zinc/54/44/47/723544447.db2.gz UZDCFFLENFJERG-ZDUSSCGKSA-N 1 1 368.792 3.259 20 5 FGBDMO CCCC[N@H+](C)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795409032 723588918 /nfs/dbraw/zinc/58/89/18/723588918.db2.gz NQYYEKNHLBUIIX-UHFFFAOYSA-N 1 1 356.220 3.003 20 5 FGBDMO CCCC[N@@H+](C)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795409032 723588919 /nfs/dbraw/zinc/58/89/19/723588919.db2.gz NQYYEKNHLBUIIX-UHFFFAOYSA-N 1 1 356.220 3.003 20 5 FGBDMO CC[C@@H](C)C[N@@H+](C)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795423270 723590140 /nfs/dbraw/zinc/59/01/40/723590140.db2.gz LNHQULKBPASLQS-SNVBAGLBSA-N 1 1 370.247 3.249 20 5 FGBDMO CC(C)[N@H+]1CCCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000768137078 723648144 /nfs/dbraw/zinc/64/81/44/723648144.db2.gz FXCFVHJZWKKWGQ-UHFFFAOYSA-N 1 1 356.264 3.273 20 5 FGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])cc1Br ZINC000798396262 723928894 /nfs/dbraw/zinc/92/88/94/723928894.db2.gz WMCNAPSKKODGTJ-YPMHNXCESA-N 1 1 354.248 3.420 20 5 FGBDMO Cc1noc(C)c1[C@@H](C)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000775616440 724011239 /nfs/dbraw/zinc/01/12/39/724011239.db2.gz AXRKRHWSUDIDDE-MRVPVSSYSA-N 1 1 352.778 3.142 20 5 FGBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 ZINC000776584255 724162453 /nfs/dbraw/zinc/16/24/53/724162453.db2.gz JIIHXMDIYKAXPS-LLVKDONJSA-N 1 1 372.265 3.445 20 5 FGBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 ZINC000776584255 724162457 /nfs/dbraw/zinc/16/24/57/724162457.db2.gz JIIHXMDIYKAXPS-LLVKDONJSA-N 1 1 372.265 3.445 20 5 FGBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000809920473 725276225 /nfs/dbraw/zinc/27/62/25/725276225.db2.gz SOCFMZPLYRBPOB-LBPRGKRZSA-N 1 1 354.838 3.348 20 5 FGBDMO COc1cc([N+](=O)[O-])c(C(=O)O[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1SC ZINC000810849783 725331102 /nfs/dbraw/zinc/33/11/02/725331102.db2.gz HREONSLWWXRSQD-NWDGAFQWSA-N 1 1 366.439 3.109 20 5 FGBDMO CN(C)[C@]1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCSC1 ZINC000811483889 725368622 /nfs/dbraw/zinc/36/86/22/725368622.db2.gz QWPKWDBBVLQMOQ-AWEZNQCLSA-N 1 1 364.298 3.429 20 5 FGBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)C1(C(F)(F)F)CC1 ZINC000813171351 726846018 /nfs/dbraw/zinc/84/60/18/726846018.db2.gz UXCPXUZWTGFOSX-ZDUSSCGKSA-N 1 1 358.316 3.055 20 5 FGBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)C1(C(F)(F)F)CC1 ZINC000813171351 726846025 /nfs/dbraw/zinc/84/60/25/726846025.db2.gz UXCPXUZWTGFOSX-ZDUSSCGKSA-N 1 1 358.316 3.055 20 5 FGBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813193814 726848573 /nfs/dbraw/zinc/84/85/73/726848573.db2.gz PTMIUOOFPCKFGT-MNOVXSKESA-N 1 1 358.225 3.258 20 5 FGBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813193815 726848701 /nfs/dbraw/zinc/84/87/01/726848701.db2.gz PTMIUOOFPCKFGT-QWRGUYRKSA-N 1 1 358.225 3.258 20 5 FGBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000816899377 727203738 /nfs/dbraw/zinc/20/37/38/727203738.db2.gz SATKJKQDRJKYKP-LBPRGKRZSA-N 1 1 353.850 3.489 20 5 FGBDMO CC(C)(CCC(=O)Nc1nc(C[NH+]2CCCCCC2)cs1)[N+](=O)[O-] ZINC000822702130 729211490 /nfs/dbraw/zinc/21/14/90/729211490.db2.gz OGTNVUMYQQIYIM-UHFFFAOYSA-N 1 1 354.476 3.293 20 5 FGBDMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000824620569 729351370 /nfs/dbraw/zinc/35/13/70/729351370.db2.gz UTWCYZJRVIANKU-UONOGXRCSA-N 1 1 359.813 3.029 20 5 FGBDMO C[C@H]1CC2(C[N@@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])CCOCC2 ZINC000830617962 729576789 /nfs/dbraw/zinc/57/67/89/729576789.db2.gz WWMBRYKHTKRZDF-LBPRGKRZSA-N 1 1 367.833 3.078 20 5 FGBDMO C[C@H]1CC2(C[N@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])CCOCC2 ZINC000830617962 729576790 /nfs/dbraw/zinc/57/67/90/729576790.db2.gz WWMBRYKHTKRZDF-LBPRGKRZSA-N 1 1 367.833 3.078 20 5 FGBDMO O=C(C[N@@H+]1CCC[C@@]2(CCSC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000832505627 729717387 /nfs/dbraw/zinc/71/73/87/729717387.db2.gz MAWPHJSJLQUESD-MRXNPFEDSA-N 1 1 369.874 3.406 20 5 FGBDMO O=C(C[N@H+]1CCC[C@@]2(CCSC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000832505627 729717391 /nfs/dbraw/zinc/71/73/91/729717391.db2.gz MAWPHJSJLQUESD-MRXNPFEDSA-N 1 1 369.874 3.406 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@]3(CC3(F)F)C2)cccc1[N+](=O)[O-] ZINC000844438478 730718144 /nfs/dbraw/zinc/71/81/44/730718144.db2.gz QVWBBUXPQXDOLW-BLLLJJGKSA-N 1 1 353.369 3.351 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@@]3(CC3(F)F)C2)cccc1[N+](=O)[O-] ZINC000844438478 730718146 /nfs/dbraw/zinc/71/81/46/730718146.db2.gz QVWBBUXPQXDOLW-BLLLJJGKSA-N 1 1 353.369 3.351 20 5 FGBDMO CSCC1(CC(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000845576015 730867284 /nfs/dbraw/zinc/86/72/84/730867284.db2.gz JVMTWXVETUSXEY-INIZCTEOSA-N 1 1 364.467 3.246 20 5 FGBDMO CSCC1(CC(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000845576015 730867290 /nfs/dbraw/zinc/86/72/90/730867290.db2.gz JVMTWXVETUSXEY-INIZCTEOSA-N 1 1 364.467 3.246 20 5 FGBDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)CCC(C)(C)[N+](=O)[O-])C2)s1 ZINC000846100141 730928716 /nfs/dbraw/zinc/92/87/16/730928716.db2.gz ITFNATQHXASOIS-OAHLLOKOSA-N 1 1 367.515 3.172 20 5 FGBDMO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000851794021 731499439 /nfs/dbraw/zinc/49/94/39/731499439.db2.gz CPUKUQRUDFXHBY-AWEZNQCLSA-N 1 1 353.394 3.175 20 5 FGBDMO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000851794021 731499440 /nfs/dbraw/zinc/49/94/40/731499440.db2.gz CPUKUQRUDFXHBY-AWEZNQCLSA-N 1 1 353.394 3.175 20 5 FGBDMO C[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)[C@@H]1CCO ZINC000852461294 731586593 /nfs/dbraw/zinc/58/65/93/731586593.db2.gz IEQHLQGIZKTKCW-DGCLKSJQSA-N 1 1 357.248 3.340 20 5 FGBDMO C[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)[C@@H]1CCO ZINC000852461294 731586594 /nfs/dbraw/zinc/58/65/94/731586594.db2.gz IEQHLQGIZKTKCW-DGCLKSJQSA-N 1 1 357.248 3.340 20 5 FGBDMO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@]3(CCSC3)C2)nc1-c1ccccn1 ZINC000853516379 731716801 /nfs/dbraw/zinc/71/68/01/731716801.db2.gz LCHUDOYQKFUEGM-KRWDZBQOSA-N 1 1 359.455 3.030 20 5 FGBDMO O=[N+]([O-])c1cn(C[N@H+]2CCC[C@]3(CCSC3)C2)nc1-c1ccccn1 ZINC000853516379 731716803 /nfs/dbraw/zinc/71/68/03/731716803.db2.gz LCHUDOYQKFUEGM-KRWDZBQOSA-N 1 1 359.455 3.030 20 5 FGBDMO C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC[N@H+](C2CCC2)C1 ZINC000861812857 732735130 /nfs/dbraw/zinc/73/51/30/732735130.db2.gz KQLGNMOZDDENNL-GFCCVEGCSA-N 1 1 351.834 3.195 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000874834938 735937170 /nfs/dbraw/zinc/93/71/70/735937170.db2.gz VXNUYMDVAZLOHY-JKSUJKDBSA-N 1 1 363.483 3.404 20 5 FGBDMO C[N@H+]1CC[C@H]2CN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC[C@H]21 ZINC000877744290 736713109 /nfs/dbraw/zinc/71/31/09/736713109.db2.gz RDACVFNAIQUMRC-WMLDXEAASA-N 1 1 358.467 3.244 20 5 FGBDMO CO[C@H]1CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C[C@H]1C ZINC000878678577 736907092 /nfs/dbraw/zinc/90/70/92/736907092.db2.gz JNKOHUFOSZVMGT-YGRLFVJLSA-N 1 1 366.805 3.155 20 5 FGBDMO CO[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C[C@H]1C ZINC000878678577 736907093 /nfs/dbraw/zinc/90/70/93/736907093.db2.gz JNKOHUFOSZVMGT-YGRLFVJLSA-N 1 1 366.805 3.155 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000880319484 737154667 /nfs/dbraw/zinc/15/46/67/737154667.db2.gz XEZLHHHZTBMIDC-CYBMUJFWSA-N 1 1 360.439 3.178 20 5 FGBDMO O=[N+]([O-])c1ncccc1C[NH+]1CCC(COc2ccc(Cl)nc2)CC1 ZINC000886176401 739226714 /nfs/dbraw/zinc/22/67/14/739226714.db2.gz BBEVZTWYHCBSEE-UHFFFAOYSA-N 1 1 362.817 3.329 20 5 FGBDMO O=C1OCCCN1C1CC[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000897592912 742693939 /nfs/dbraw/zinc/69/39/39/742693939.db2.gz WOGCIGATLVUABL-UHFFFAOYSA-N 1 1 353.806 3.055 20 5 FGBDMO CC[N@H+]1CCC[C@H](CNC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000906449746 744133180 /nfs/dbraw/zinc/13/31/80/744133180.db2.gz XNCHHMYMXXZZOP-CYBMUJFWSA-N 1 1 353.850 3.029 20 5 FGBDMO Cc1[nH+]ccn1CCCN(C)C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000907092651 744185222 /nfs/dbraw/zinc/18/52/22/744185222.db2.gz RHGSQIZGQTWJBQ-UHFFFAOYSA-N 1 1 364.833 3.234 20 5 FGBDMO C[C@@H]1C[C@H](N(C)Cc2cc([N+](=O)[O-])ccc2Br)CC[N@H+]1C ZINC000929779492 760455472 /nfs/dbraw/zinc/45/54/72/760455472.db2.gz AFVINPTYXRSSBA-DGCLKSJQSA-N 1 1 356.264 3.272 20 5 FGBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CC[C@@H](O)CC12CCC2 ZINC000930753792 760687925 /nfs/dbraw/zinc/68/79/25/760687925.db2.gz ICSFUUKYMKZYRH-LLVKDONJSA-N 1 1 355.232 3.237 20 5 FGBDMO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CC[C@@H](O)CC12CCC2 ZINC000930753792 760687932 /nfs/dbraw/zinc/68/79/32/760687932.db2.gz ICSFUUKYMKZYRH-LLVKDONJSA-N 1 1 355.232 3.237 20 5 FGBDMO O=[N+]([O-])c1ccc(Br)c(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)c1 ZINC000931753545 760954265 /nfs/dbraw/zinc/95/42/65/760954265.db2.gz RGGGOKPPIIQHBW-IAQYHMDHSA-N 1 1 355.232 3.358 20 5 FGBDMO CSCC1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000932590360 761197223 /nfs/dbraw/zinc/19/72/23/761197223.db2.gz NLVTVCLZSVLRRI-ZDUSSCGKSA-N 1 1 351.472 3.305 20 5 FGBDMO COC(=O)c1cnc([C@@H]2CC[N@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C2)s1 ZINC000932660336 761211446 /nfs/dbraw/zinc/21/14/46/761211446.db2.gz PCTHFFLYTXIFMI-DGCLKSJQSA-N 1 1 361.423 3.388 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2SC)C[C@H]1C ZINC000933370092 761372238 /nfs/dbraw/zinc/37/22/38/761372238.db2.gz NOCVDQNHXIEBRJ-CHWSQXEVSA-N 1 1 351.472 3.262 20 5 FGBDMO Cc1noc(C[C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)n1 ZINC000933572687 761431349 /nfs/dbraw/zinc/43/13/49/761431349.db2.gz KGMQSGRMKLQMAG-LBPRGKRZSA-N 1 1 350.806 3.394 20 5 FGBDMO Cc1noc(C[C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)n1 ZINC000933572687 761431354 /nfs/dbraw/zinc/43/13/54/761431354.db2.gz KGMQSGRMKLQMAG-LBPRGKRZSA-N 1 1 350.806 3.394 20 5 FGBDMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000054205541 205199668 /nfs/dbraw/zinc/19/96/68/205199668.db2.gz OXUZRHSHVWOVHJ-KRWDZBQOSA-N 1 1 368.437 3.191 20 5 FGBDMO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)nc1 ZINC000302141316 257385502 /nfs/dbraw/zinc/38/55/02/257385502.db2.gz FEIYZYBNLBEUKF-CYBMUJFWSA-N 1 1 367.331 3.090 20 5 FGBDMO C[C@@H](CNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000057719882 493789855 /nfs/dbraw/zinc/78/98/55/493789855.db2.gz KPLYNBDTZRWUCN-HNNXBMFYSA-N 1 1 374.485 3.044 20 5 FGBDMO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H](CCO)c1ccccc1 ZINC000075899796 493793428 /nfs/dbraw/zinc/79/34/28/493793428.db2.gz JHHCMCJGKLHJKY-GOSISDBHSA-N 1 1 358.394 3.017 20 5 FGBDMO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H](CCO)c1ccccc1 ZINC000075899796 493793432 /nfs/dbraw/zinc/79/34/32/493793432.db2.gz JHHCMCJGKLHJKY-GOSISDBHSA-N 1 1 358.394 3.017 20 5 FGBDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)nc1 ZINC000080926830 493793694 /nfs/dbraw/zinc/79/36/94/493793694.db2.gz HKLSCDMBELEHNV-MRXNPFEDSA-N 1 1 354.410 3.149 20 5 FGBDMO C[N@@H+](CCCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)Cc1ccccc1 ZINC000048314532 493814873 /nfs/dbraw/zinc/81/48/73/493814873.db2.gz HDXXTZMVEJFOBL-UHFFFAOYSA-N 1 1 366.421 3.328 20 5 FGBDMO COc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000029483365 493840533 /nfs/dbraw/zinc/84/05/33/493840533.db2.gz YTJUYSCQAYGMLK-QGZVFWFLSA-N 1 1 355.394 3.161 20 5 FGBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000029483365 493840535 /nfs/dbraw/zinc/84/05/35/493840535.db2.gz YTJUYSCQAYGMLK-QGZVFWFLSA-N 1 1 355.394 3.161 20 5 FGBDMO Cc1c(NC(=O)CC[N@@H+]2CCO[C@H](c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000029536856 493843020 /nfs/dbraw/zinc/84/30/20/493843020.db2.gz QNGBLAPPXIRBSV-IBGZPJMESA-N 1 1 369.421 3.305 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CCO[C@H](c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000029536856 493843022 /nfs/dbraw/zinc/84/30/22/493843022.db2.gz QNGBLAPPXIRBSV-IBGZPJMESA-N 1 1 369.421 3.305 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000076387626 493881369 /nfs/dbraw/zinc/88/13/69/493881369.db2.gz OURNPMOZQWMSIP-INIZCTEOSA-N 1 1 353.422 3.331 20 5 FGBDMO CCOC[C@@H]1CC[N@@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000081521951 493910098 /nfs/dbraw/zinc/91/00/98/493910098.db2.gz YADHZEKGPAQBLM-LLVKDONJSA-N 1 1 360.357 3.063 20 5 FGBDMO Cc1c(NC(=O)CC[N@@H+]2CCN(C)c3ccccc3C2)cccc1[N+](=O)[O-] ZINC000069091028 493919224 /nfs/dbraw/zinc/91/92/24/493919224.db2.gz RMARVVIEIDKMJQ-UHFFFAOYSA-N 1 1 368.437 3.184 20 5 FGBDMO CCC[N@H+](C)C[C@H]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000081572253 493921029 /nfs/dbraw/zinc/92/10/29/493921029.db2.gz VYMQXWDAAKBVQG-MRXNPFEDSA-N 1 1 372.469 3.456 20 5 FGBDMO CCC[N@@H+](C)C[C@H]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000081572253 493921031 /nfs/dbraw/zinc/92/10/31/493921031.db2.gz VYMQXWDAAKBVQG-MRXNPFEDSA-N 1 1 372.469 3.456 20 5 FGBDMO O=C(CC1CCCCC1)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000060356298 493926250 /nfs/dbraw/zinc/92/62/50/493926250.db2.gz QYOJBXPYBIXZCZ-UHFFFAOYSA-N 1 1 359.470 3.252 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)ccc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000031305978 493937568 /nfs/dbraw/zinc/93/75/68/493937568.db2.gz ZFTKRMLNARPVIB-GOSISDBHSA-N 1 1 361.829 3.104 20 5 FGBDMO O=C(C[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000076807453 493973809 /nfs/dbraw/zinc/97/38/09/493973809.db2.gz DUSRTZMERXARKP-OAHLLOKOSA-N 1 1 357.385 3.237 20 5 FGBDMO O=C(C[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000076807453 493973814 /nfs/dbraw/zinc/97/38/14/493973814.db2.gz DUSRTZMERXARKP-OAHLLOKOSA-N 1 1 357.385 3.237 20 5 FGBDMO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000051873831 493991789 /nfs/dbraw/zinc/99/17/89/493991789.db2.gz OZBYFUHJVHBEGA-UHFFFAOYSA-N 1 1 364.405 3.034 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+](Cc2ccco2)C2CCCC2)c1 ZINC000052076537 494003637 /nfs/dbraw/zinc/00/36/37/494003637.db2.gz UYGHIOBYMILEMT-KRWDZBQOSA-N 1 1 360.410 3.372 20 5 FGBDMO O=c1cc(C[NH+]2CCC(c3nc[nH]n3)CC2)c2c(ccc3ccccc32)o1 ZINC000083442808 494018287 /nfs/dbraw/zinc/01/82/87/494018287.db2.gz DNMHIUYZUORWJV-UHFFFAOYSA-N 1 1 360.417 3.444 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1ccc(C)o1)C1CC1 ZINC000052994210 494082605 /nfs/dbraw/zinc/08/26/05/494082605.db2.gz SOMIHJHOTWDICC-UHFFFAOYSA-N 1 1 373.409 3.498 20 5 FGBDMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000036074514 494083701 /nfs/dbraw/zinc/08/37/01/494083701.db2.gz VAYMEZZTAYWPEN-HNNXBMFYSA-N 1 1 359.813 3.253 20 5 FGBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000063822709 494091688 /nfs/dbraw/zinc/09/16/88/494091688.db2.gz BRIFRYUTISAUIL-CQSZACIVSA-N 1 1 358.442 3.318 20 5 FGBDMO O=C(c1ccc(F)cc1)N1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000071969239 494112852 /nfs/dbraw/zinc/11/28/52/494112852.db2.gz GSGNIIYWUYVHCR-UHFFFAOYSA-N 1 1 371.412 3.125 20 5 FGBDMO CC(C)[N@H+](CC(=O)Nc1ccc(Cl)cn1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350037 494116072 /nfs/dbraw/zinc/11/60/72/494116072.db2.gz SYYCQXXLFYBTQX-UHFFFAOYSA-N 1 1 362.817 3.492 20 5 FGBDMO CC(C)[N@@H+](CC(=O)Nc1ccc(Cl)cn1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350037 494116076 /nfs/dbraw/zinc/11/60/76/494116076.db2.gz SYYCQXXLFYBTQX-UHFFFAOYSA-N 1 1 362.817 3.492 20 5 FGBDMO CNC(=O)c1ccc(N2CCC[N@@H+](CC3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000053575614 494148904 /nfs/dbraw/zinc/14/89/04/494148904.db2.gz IILUYFBTTXIJRI-UHFFFAOYSA-N 1 1 374.485 3.047 20 5 FGBDMO Cc1[nH+]ccn1-c1ncccc1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087135810 494176149 /nfs/dbraw/zinc/17/61/49/494176149.db2.gz VYZCWYZNCQBSPV-UHFFFAOYSA-N 1 1 351.366 3.055 20 5 FGBDMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065208921 494179302 /nfs/dbraw/zinc/17/93/02/494179302.db2.gz NEGWVIUDLRRDGQ-OAHLLOKOSA-N 1 1 367.409 3.247 20 5 FGBDMO COc1ccc(C[N@H+]2CCCN(Cc3csc([N+](=O)[O-])c3)CC2)cc1 ZINC000054173435 494203270 /nfs/dbraw/zinc/20/32/70/494203270.db2.gz RLXFFMWBAQVAPG-UHFFFAOYSA-N 1 1 361.467 3.373 20 5 FGBDMO Cc1cc(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000054226287 494210317 /nfs/dbraw/zinc/21/03/17/494210317.db2.gz SWFABZWCXNJHTN-MAUKXSAKSA-N 1 1 353.422 3.469 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCS[C@@H](C(C)C)C1 ZINC000072836620 494261550 /nfs/dbraw/zinc/26/15/50/494261550.db2.gz VDADGJUFKHIABH-MRXNPFEDSA-N 1 1 351.472 3.305 20 5 FGBDMO Cc1ccc(NC(=O)NCC[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000043147755 494270305 /nfs/dbraw/zinc/27/03/05/494270305.db2.gz UOCMMCZZZSZMTD-UHFFFAOYSA-N 1 1 354.410 3.083 20 5 FGBDMO Cc1nn(C)c(NCc2ccccc2C[N@@H+](C)Cc2ccco2)c1[N+](=O)[O-] ZINC000078335902 494281323 /nfs/dbraw/zinc/28/13/23/494281323.db2.gz BMALYKUZICYGDX-UHFFFAOYSA-N 1 1 369.425 3.474 20 5 FGBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000072945150 494288216 /nfs/dbraw/zinc/28/82/16/494288216.db2.gz YPJFWKGFYAVLEW-KBPBESRZSA-N 1 1 363.487 3.395 20 5 FGBDMO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000078486656 494305031 /nfs/dbraw/zinc/30/50/31/494305031.db2.gz MOMXFMRBJQHMGT-DOMZBBRYSA-N 1 1 366.364 3.306 20 5 FGBDMO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cccc([N+](=O)[O-])c1 ZINC000015299716 494347374 /nfs/dbraw/zinc/34/73/74/494347374.db2.gz VMCZOPTUGTZNLS-UHFFFAOYSA-N 1 1 357.410 3.454 20 5 FGBDMO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cccc([N+](=O)[O-])c1 ZINC000015299716 494347378 /nfs/dbraw/zinc/34/73/78/494347378.db2.gz VMCZOPTUGTZNLS-UHFFFAOYSA-N 1 1 357.410 3.454 20 5 FGBDMO CCN1CC[NH+]([C@@H](C)CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000090071155 494437017 /nfs/dbraw/zinc/43/70/17/494437017.db2.gz TUNOXMVOSQPHQV-INIZCTEOSA-N 1 1 369.469 3.095 20 5 FGBDMO Cc1ccc(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000056039158 494445455 /nfs/dbraw/zinc/44/54/55/494445455.db2.gz ITGKORJLNYFISY-UHFFFAOYSA-N 1 1 369.421 3.030 20 5 FGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1 ZINC000074046977 494472296 /nfs/dbraw/zinc/47/22/96/494472296.db2.gz HXSMECWDXGQRDD-MRXNPFEDSA-N 1 1 355.442 3.292 20 5 FGBDMO COc1ccc(C[N@H+]2CCCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000022995810 494545784 /nfs/dbraw/zinc/54/57/84/494545784.db2.gz KPPGKFNTUPAYRY-UHFFFAOYSA-N 1 1 355.438 3.311 20 5 FGBDMO O=[N+]([O-])c1ccc(Br)cc1N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000091479540 494606529 /nfs/dbraw/zinc/60/65/29/494606529.db2.gz PILIASJYRSKIMH-JTQLQIEISA-N 1 1 351.204 3.464 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000116281287 494750522 /nfs/dbraw/zinc/75/05/22/494750522.db2.gz WUCZPBLTJLYBCR-CYBMUJFWSA-N 1 1 361.833 3.166 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000116281287 494750529 /nfs/dbraw/zinc/75/05/29/494750529.db2.gz WUCZPBLTJLYBCR-CYBMUJFWSA-N 1 1 361.833 3.166 20 5 FGBDMO C[C@H]1C[C@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000131869757 494759385 /nfs/dbraw/zinc/75/93/85/494759385.db2.gz FJAMZESQBCKOOX-GOEBONIOSA-N 1 1 371.412 3.374 20 5 FGBDMO O=[N+]([O-])c1cccc(N2CC[NH+](CC3=Cc4ccccc4OC3)CC2)c1 ZINC000092047936 494770181 /nfs/dbraw/zinc/77/01/81/494770181.db2.gz UKEILOPYYPWZEI-UHFFFAOYSA-N 1 1 351.406 3.193 20 5 FGBDMO CCCN1CCC([N@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000092165315 494803407 /nfs/dbraw/zinc/80/34/07/494803407.db2.gz QGDUZYZDANUJRI-UHFFFAOYSA-N 1 1 371.485 3.302 20 5 FGBDMO CCCN1CCC([N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000092165315 494803410 /nfs/dbraw/zinc/80/34/10/494803410.db2.gz QGDUZYZDANUJRI-UHFFFAOYSA-N 1 1 371.485 3.302 20 5 FGBDMO C[N@@H+](CCOc1ccccc1F)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000026337144 494819193 /nfs/dbraw/zinc/81/91/93/494819193.db2.gz FUJZOHJAPCMMCR-UHFFFAOYSA-N 1 1 361.373 3.073 20 5 FGBDMO Cc1cccc(N2CCC(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)[nH+]1 ZINC000116668371 494835192 /nfs/dbraw/zinc/83/51/92/494835192.db2.gz FKZDZNVXUJGKQM-UHFFFAOYSA-N 1 1 354.410 3.005 20 5 FGBDMO Cc1ccccc1OCC[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000027374129 494866113 /nfs/dbraw/zinc/86/61/13/494866113.db2.gz SKAYIRDYWYRZKD-UHFFFAOYSA-N 1 1 368.393 3.464 20 5 FGBDMO Cc1ccccc1OCC[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000027374129 494866114 /nfs/dbraw/zinc/86/61/14/494866114.db2.gz SKAYIRDYWYRZKD-UHFFFAOYSA-N 1 1 368.393 3.464 20 5 FGBDMO Cc1c(CC(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000127089164 494892117 /nfs/dbraw/zinc/89/21/17/494892117.db2.gz QTUNSVNYPHLVJG-INIZCTEOSA-N 1 1 369.465 3.473 20 5 FGBDMO COc1cc(C[N@@H+](C)CC[C@H](C)O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000093481865 494896374 /nfs/dbraw/zinc/89/63/74/494896374.db2.gz UISGQWVICKJVIK-HNNXBMFYSA-N 1 1 374.437 3.385 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)o1 ZINC000093611829 494903688 /nfs/dbraw/zinc/90/36/88/494903688.db2.gz YSEVPRKLNIHLED-HNNXBMFYSA-N 1 1 356.300 3.354 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)o1 ZINC000093611829 494903694 /nfs/dbraw/zinc/90/36/94/494903694.db2.gz YSEVPRKLNIHLED-HNNXBMFYSA-N 1 1 356.300 3.354 20 5 FGBDMO COCC[N@@H+](C)CCCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000122046330 494914370 /nfs/dbraw/zinc/91/43/70/494914370.db2.gz UKOMCOIVUTUXOM-UHFFFAOYSA-N 1 1 363.502 3.474 20 5 FGBDMO Cn1cc[nH+]c1CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000127270519 494919901 /nfs/dbraw/zinc/91/99/01/494919901.db2.gz RYEOADZZWAMYCT-UHFFFAOYSA-N 1 1 362.817 3.077 20 5 FGBDMO NC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000093808542 494922642 /nfs/dbraw/zinc/92/26/42/494922642.db2.gz YUEBFPDTYVJUDE-ZDUSSCGKSA-N 1 1 359.451 3.411 20 5 FGBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117804851 494957345 /nfs/dbraw/zinc/95/73/45/494957345.db2.gz NRLWHZNHKXXWNI-CQSZACIVSA-N 1 1 353.850 3.171 20 5 FGBDMO C[C@H]1SCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000118421336 495000986 /nfs/dbraw/zinc/00/09/86/495000986.db2.gz DCPWDCZPXMIMRM-FZKQIMNGSA-N 1 1 371.462 3.372 20 5 FGBDMO C[C@H]1SCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000118421336 495000990 /nfs/dbraw/zinc/00/09/90/495000990.db2.gz DCPWDCZPXMIMRM-FZKQIMNGSA-N 1 1 371.462 3.372 20 5 FGBDMO C[C@H]1C[C@H](N(C)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@H+]1C ZINC000122740294 495023713 /nfs/dbraw/zinc/02/37/13/495023713.db2.gz WOISFFKCBAABMB-SWLSCSKDSA-N 1 1 374.466 3.273 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccc(F)c4cccnc34)C2)nc1 ZINC000118865960 495050612 /nfs/dbraw/zinc/05/06/12/495050612.db2.gz IRRHEPXGPYXZDU-AWEZNQCLSA-N 1 1 367.384 3.364 20 5 FGBDMO CC[C@@H](C)[C@@H](C)[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000111226987 495050634 /nfs/dbraw/zinc/05/06/34/495050634.db2.gz AMACCMPVBFWURO-VXGBXAGGSA-N 1 1 363.414 3.161 20 5 FGBDMO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000118941959 495053731 /nfs/dbraw/zinc/05/37/31/495053731.db2.gz PBBHHHGWADXBIP-CYBMUJFWSA-N 1 1 353.850 3.232 20 5 FGBDMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000118941959 495053734 /nfs/dbraw/zinc/05/37/34/495053734.db2.gz PBBHHHGWADXBIP-CYBMUJFWSA-N 1 1 353.850 3.232 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+](CCO)C3CCCCC3)o2)c1 ZINC000111303979 495061870 /nfs/dbraw/zinc/06/18/70/495061870.db2.gz LVPLKZILDWHOAX-UHFFFAOYSA-N 1 1 359.426 3.419 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000134209616 495121442 /nfs/dbraw/zinc/12/14/42/495121442.db2.gz CECCUYYNXJLCNC-KUHUBIRLSA-N 1 1 369.421 3.166 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000134209616 495121445 /nfs/dbraw/zinc/12/14/45/495121445.db2.gz CECCUYYNXJLCNC-KUHUBIRLSA-N 1 1 369.421 3.166 20 5 FGBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCCC[C@H](SC)C2)c([N+](=O)[O-])c1 ZINC000134576292 495169931 /nfs/dbraw/zinc/16/99/31/495169931.db2.gz KWMSTLBAUWXXLH-OCCSQVGLSA-N 1 1 367.471 3.148 20 5 FGBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCCC[C@H](SC)C2)c([N+](=O)[O-])c1 ZINC000134576292 495169935 /nfs/dbraw/zinc/16/99/35/495169935.db2.gz KWMSTLBAUWXXLH-OCCSQVGLSA-N 1 1 367.471 3.148 20 5 FGBDMO COc1ccc(C[N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1C ZINC000103145216 495199554 /nfs/dbraw/zinc/19/95/54/495199554.db2.gz VMRPWYDDVONYJR-UHFFFAOYSA-N 1 1 357.410 3.291 20 5 FGBDMO COc1ccc(C[N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1C ZINC000103145216 495199558 /nfs/dbraw/zinc/19/95/58/495199558.db2.gz VMRPWYDDVONYJR-UHFFFAOYSA-N 1 1 357.410 3.291 20 5 FGBDMO C[C@@H]1C[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000134917049 495222897 /nfs/dbraw/zinc/22/28/97/495222897.db2.gz FBZPODNORVCMOH-CZUORRHYSA-N 1 1 357.385 3.127 20 5 FGBDMO CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000124080589 495231300 /nfs/dbraw/zinc/23/13/00/495231300.db2.gz HKTCDLIMYYNKIJ-HNNXBMFYSA-N 1 1 357.410 3.345 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000119751532 495233366 /nfs/dbraw/zinc/23/33/66/495233366.db2.gz DCHWMYWOITZGLD-UZLBHIALSA-N 1 1 367.449 3.164 20 5 FGBDMO CCCCCNC(=O)C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000103467053 495236908 /nfs/dbraw/zinc/23/69/08/495236908.db2.gz VROYZRYPSYNUTK-UHFFFAOYSA-N 1 1 351.422 3.252 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000124169333 495245211 /nfs/dbraw/zinc/24/52/11/495245211.db2.gz VXVLMZXMLQWREC-HNNXBMFYSA-N 1 1 365.499 3.171 20 5 FGBDMO Cc1c(CC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000119815189 495247681 /nfs/dbraw/zinc/24/76/81/495247681.db2.gz QLMHFGPDPKJFHT-KXBFYZLASA-N 1 1 367.449 3.082 20 5 FGBDMO CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000120049557 495296543 /nfs/dbraw/zinc/29/65/43/495296543.db2.gz IRBWASVARGIBOI-CQSZACIVSA-N 1 1 357.410 3.453 20 5 FGBDMO C[NH+](C)[C@@H](C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1ccccc1 ZINC000104874586 495311898 /nfs/dbraw/zinc/31/18/98/495311898.db2.gz LJOAARCIGWJUEO-GOSISDBHSA-N 1 1 365.393 3.226 20 5 FGBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000113899715 495334078 /nfs/dbraw/zinc/33/40/78/495334078.db2.gz YNIQAORMLVSCEU-KBPBESRZSA-N 1 1 351.472 3.383 20 5 FGBDMO CN(C)c1cccc(C[N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1 ZINC000136120021 495357699 /nfs/dbraw/zinc/35/76/99/495357699.db2.gz PWOPKNKRAFBBHO-UHFFFAOYSA-N 1 1 357.410 3.159 20 5 FGBDMO CN(C)c1cccc(C[N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1 ZINC000136120021 495357704 /nfs/dbraw/zinc/35/77/04/495357704.db2.gz PWOPKNKRAFBBHO-UHFFFAOYSA-N 1 1 357.410 3.159 20 5 FGBDMO COc1ccc(C[N@@H+](CCO)[C@H]2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000114468352 495379741 /nfs/dbraw/zinc/37/97/41/495379741.db2.gz HTUTUFHIDKWDLG-SFHVURJKSA-N 1 1 356.422 3.475 20 5 FGBDMO COC(=O)CC[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C ZINC000114476080 495380172 /nfs/dbraw/zinc/38/01/72/495380172.db2.gz BJXSXUJGPWUERC-UHFFFAOYSA-N 1 1 361.398 3.066 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000114643569 495402450 /nfs/dbraw/zinc/40/24/50/495402450.db2.gz ORJSQWUSNULOGC-GOSISDBHSA-N 1 1 353.422 3.298 20 5 FGBDMO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1(C)C ZINC000120661516 495429560 /nfs/dbraw/zinc/42/95/60/495429560.db2.gz SCRKSYQBAQZGEJ-HUUCEWRRSA-N 1 1 360.414 3.280 20 5 FGBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1(C)C ZINC000120661516 495429566 /nfs/dbraw/zinc/42/95/66/495429566.db2.gz SCRKSYQBAQZGEJ-HUUCEWRRSA-N 1 1 360.414 3.280 20 5 FGBDMO Cc1sc(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000137429666 495440561 /nfs/dbraw/zinc/44/05/61/495440561.db2.gz VEEODOLGYQYWQT-IUODEOHRSA-N 1 1 359.451 3.358 20 5 FGBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000138534898 495464022 /nfs/dbraw/zinc/46/40/22/495464022.db2.gz KXUKCYAKSLSSIS-UHFFFAOYSA-N 1 1 372.450 3.099 20 5 FGBDMO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000179334202 495546145 /nfs/dbraw/zinc/54/61/45/495546145.db2.gz GVNHPUYFBDLMIH-INIZCTEOSA-N 1 1 359.451 3.424 20 5 FGBDMO CCOc1ccc([C@@H](C)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000179393634 495574541 /nfs/dbraw/zinc/57/45/41/495574541.db2.gz QNVPZXAHKUIUKH-NVXWUHKLSA-N 1 1 365.474 3.001 20 5 FGBDMO CCOc1ccc([C@@H](C)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000179393634 495574545 /nfs/dbraw/zinc/57/45/45/495574545.db2.gz QNVPZXAHKUIUKH-NVXWUHKLSA-N 1 1 365.474 3.001 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179473426 495604602 /nfs/dbraw/zinc/60/46/02/495604602.db2.gz PHFUCKLNIAVPKU-SJLPKXTDSA-N 1 1 354.410 3.470 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCOCc1ccccc1 ZINC000154522046 495643140 /nfs/dbraw/zinc/64/31/40/495643140.db2.gz FZQMDXMHBOUUTG-OAHLLOKOSA-N 1 1 357.410 3.070 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCOCc1ccccc1 ZINC000154522046 495643145 /nfs/dbraw/zinc/64/31/45/495643145.db2.gz FZQMDXMHBOUUTG-OAHLLOKOSA-N 1 1 357.410 3.070 20 5 FGBDMO CCOC(=O)C[C@@H](C)[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000182657958 495651705 /nfs/dbraw/zinc/65/17/05/495651705.db2.gz XGTAEUJAGFPDRZ-CYBMUJFWSA-N 1 1 361.398 3.066 20 5 FGBDMO CC[N@H+](CCc1nccs1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000159210612 495684056 /nfs/dbraw/zinc/68/40/56/495684056.db2.gz HZSBILJTWDSTGJ-UHFFFAOYSA-N 1 1 359.411 3.166 20 5 FGBDMO CC[N@@H+](CCc1nccs1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000159210612 495684062 /nfs/dbraw/zinc/68/40/62/495684062.db2.gz HZSBILJTWDSTGJ-UHFFFAOYSA-N 1 1 359.411 3.166 20 5 FGBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000185859500 495754032 /nfs/dbraw/zinc/75/40/32/495754032.db2.gz ATAYKKGZDLELCD-ZDUSSCGKSA-N 1 1 368.865 3.025 20 5 FGBDMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000159588845 495764595 /nfs/dbraw/zinc/76/45/95/495764595.db2.gz JCZDJAYXHKTBLU-OLZOCXBDSA-N 1 1 359.451 3.409 20 5 FGBDMO COC(=O)[C@@H](CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000574567636 505804307 /nfs/dbraw/zinc/80/43/07/505804307.db2.gz LTKYHTSPGHPCPL-SFHVURJKSA-N 1 1 354.406 3.300 20 5 FGBDMO COC(=O)[C@@H](CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000574567636 505804310 /nfs/dbraw/zinc/80/43/10/505804310.db2.gz LTKYHTSPGHPCPL-SFHVURJKSA-N 1 1 354.406 3.300 20 5 FGBDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN(Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)C2 ZINC000174214048 495867443 /nfs/dbraw/zinc/86/74/43/495867443.db2.gz YPNBKRPNWYZZMW-DOTOQJQBSA-N 1 1 371.441 3.092 20 5 FGBDMO CCC[N@H+]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000160373975 495948678 /nfs/dbraw/zinc/94/86/78/495948678.db2.gz ZAKWZSLUWSVUDB-UHFFFAOYSA-N 1 1 374.466 3.276 20 5 FGBDMO CCc1nsc(N2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3C)CC2)n1 ZINC000174521109 495992795 /nfs/dbraw/zinc/99/27/95/495992795.db2.gz BFJFTBUQMGXCIQ-UHFFFAOYSA-N 1 1 361.471 3.029 20 5 FGBDMO CCc1nsc(N2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3C)CC2)n1 ZINC000174521109 495992799 /nfs/dbraw/zinc/99/27/99/495992799.db2.gz BFJFTBUQMGXCIQ-UHFFFAOYSA-N 1 1 361.471 3.029 20 5 FGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000152224073 496085478 /nfs/dbraw/zinc/08/54/78/496085478.db2.gz MYOYXLBFLFBTOQ-UHFFFAOYSA-N 1 1 367.877 3.373 20 5 FGBDMO C[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000183888184 496148785 /nfs/dbraw/zinc/14/87/85/496148785.db2.gz PRPDVOBVTXBABB-HUUCEWRRSA-N 1 1 373.428 3.474 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000571844007 505826253 /nfs/dbraw/zinc/82/62/53/505826253.db2.gz WNSGPDCENIFHPE-WMZOPIPTSA-N 1 1 361.442 3.121 20 5 FGBDMO C[C@H](CS(C)(=O)=O)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000172122349 496174189 /nfs/dbraw/zinc/17/41/89/496174189.db2.gz SSGJQMAVOGWZSK-SNVBAGLBSA-N 1 1 372.830 3.031 20 5 FGBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000174943319 496175258 /nfs/dbraw/zinc/17/52/58/496175258.db2.gz YDODALLGANMAGH-KRWDZBQOSA-N 1 1 353.422 3.189 20 5 FGBDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1c[nH]c3ccc([N+](=O)[O-])cc13)C2 ZINC000175061321 496231570 /nfs/dbraw/zinc/23/15/70/496231570.db2.gz PFCQMOQGVCHHTJ-DZGCQCFKSA-N 1 1 356.426 3.163 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000156390338 496231701 /nfs/dbraw/zinc/23/17/01/496231701.db2.gz LTOHYTOVSMOORK-KDOFPFPSSA-N 1 1 358.442 3.384 20 5 FGBDMO C[N@H+]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C2(CCCCC2)C1 ZINC000175062076 496231987 /nfs/dbraw/zinc/23/19/87/496231987.db2.gz UOXKPYCKIUXYEQ-UHFFFAOYSA-N 1 1 371.441 3.095 20 5 FGBDMO O=C(NC[C@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000175169808 496276070 /nfs/dbraw/zinc/27/60/70/496276070.db2.gz WGYKUKZKKTYEGN-LJQANCHMSA-N 1 1 353.422 3.379 20 5 FGBDMO O=C(NC[C@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000175169808 496276074 /nfs/dbraw/zinc/27/60/74/496276074.db2.gz WGYKUKZKKTYEGN-LJQANCHMSA-N 1 1 353.422 3.379 20 5 FGBDMO Cc1ccc(NCCCNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[nH+]c1 ZINC000172400304 496283302 /nfs/dbraw/zinc/28/33/02/496283302.db2.gz JUTPSSFYOKZXQC-UHFFFAOYSA-N 1 1 369.425 3.105 20 5 FGBDMO C[NH+](C)[C@@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccco1 ZINC000162327312 496335969 /nfs/dbraw/zinc/33/59/69/496335969.db2.gz REHXXSAUJRPEOI-KRWDZBQOSA-N 1 1 372.425 3.165 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000181375804 496371144 /nfs/dbraw/zinc/37/11/44/496371144.db2.gz SUIDXSJOLMITRE-UKRRQHHQSA-N 1 1 363.483 3.404 20 5 FGBDMO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000175407445 496377514 /nfs/dbraw/zinc/37/75/14/496377514.db2.gz PDCDICYVOUMRRI-SXBQZSJRSA-N 1 1 362.451 3.404 20 5 FGBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000162604482 496381364 /nfs/dbraw/zinc/38/13/64/496381364.db2.gz XZNMCLBMIWXVTM-UHFFFAOYSA-N 1 1 355.438 3.214 20 5 FGBDMO Cc1nn(C)c2ncc(C[N@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)cc12 ZINC000153255276 496398854 /nfs/dbraw/zinc/39/88/54/496398854.db2.gz BOXXMKAXMDFYJB-UHFFFAOYSA-N 1 1 351.410 3.350 20 5 FGBDMO Cc1nn(C)c2ncc(C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)cc12 ZINC000153255276 496398860 /nfs/dbraw/zinc/39/88/60/496398860.db2.gz BOXXMKAXMDFYJB-UHFFFAOYSA-N 1 1 351.410 3.350 20 5 FGBDMO CC(C)(CNC(=O)Cc1cccc([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000172760488 496418924 /nfs/dbraw/zinc/41/89/24/496418924.db2.gz LRYMTIDFGFMGMZ-UHFFFAOYSA-N 1 1 367.449 3.090 20 5 FGBDMO Cc1c(CC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000181497116 496420598 /nfs/dbraw/zinc/42/05/98/496420598.db2.gz YIZOIXUPPLIHHV-DOTOQJQBSA-N 1 1 359.470 3.215 20 5 FGBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000184713833 496503948 /nfs/dbraw/zinc/50/39/48/496503948.db2.gz MCPJERSQFQLWAF-MSOLQXFVSA-N 1 1 361.486 3.400 20 5 FGBDMO CC[C@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCN1CC(F)F ZINC000153730447 496560519 /nfs/dbraw/zinc/56/05/19/496560519.db2.gz OUWZARDPZSRKLC-AWEZNQCLSA-N 1 1 357.401 3.025 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCc2cccc(F)c2C1 ZINC000157872693 496574756 /nfs/dbraw/zinc/57/47/56/496574756.db2.gz ILBQIUDKMCTZFD-UHFFFAOYSA-N 1 1 357.385 3.429 20 5 FGBDMO Cc1ccc(N2CCC(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)[nH+]c1 ZINC000157908426 496583045 /nfs/dbraw/zinc/58/30/45/496583045.db2.gz PUMJDRBQLVPFGF-UHFFFAOYSA-N 1 1 374.828 3.350 20 5 FGBDMO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1nc(-c2cccc(F)c2)no1 ZINC000185103547 496661386 /nfs/dbraw/zinc/66/13/86/496661386.db2.gz CMJHTEXHFGEGEQ-ZBEGNZNMSA-N 1 1 372.356 3.168 20 5 FGBDMO C[C@@H]1C[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000176113701 496688980 /nfs/dbraw/zinc/68/89/80/496688980.db2.gz OYISWSJDMQZJQU-APWZRJJASA-N 1 1 367.449 3.307 20 5 FGBDMO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182196720 496703201 /nfs/dbraw/zinc/70/32/01/496703201.db2.gz GQPKTKAEBVUXQP-JSGCOSHPSA-N 1 1 366.364 3.306 20 5 FGBDMO Cc1cnc([C@H]([NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C2CC2)s1 ZINC000185323366 496729020 /nfs/dbraw/zinc/72/90/20/496729020.db2.gz GNFFQQFUBYKIAV-MRXNPFEDSA-N 1 1 360.439 3.348 20 5 FGBDMO CCCn1ccnc1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000191469974 496773393 /nfs/dbraw/zinc/77/33/93/496773393.db2.gz UVGLCLMBSJIBID-HNNXBMFYSA-N 1 1 373.457 3.093 20 5 FGBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000264085428 496808647 /nfs/dbraw/zinc/80/86/47/496808647.db2.gz PFQYAVBUPNKTFP-ZWKOTPCHSA-N 1 1 360.458 3.142 20 5 FGBDMO Cc1sc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000247312093 496831843 /nfs/dbraw/zinc/83/18/43/496831843.db2.gz WCNIZNHRXRMKAF-IUODEOHRSA-N 1 1 374.466 3.000 20 5 FGBDMO CNc1ccc(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000578133109 505869980 /nfs/dbraw/zinc/86/99/80/505869980.db2.gz AKYFUYMOWZXRFS-KRWDZBQOSA-N 1 1 374.828 3.077 20 5 FGBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277730476 496868446 /nfs/dbraw/zinc/86/84/46/496868446.db2.gz BHPHQBMOPPYTIP-RBUKOAKNSA-N 1 1 361.445 3.450 20 5 FGBDMO C[C@@H](c1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1)[NH+]1CCOCC1 ZINC000264318946 496870977 /nfs/dbraw/zinc/87/09/77/496870977.db2.gz GEKSLDJTQHNGKW-LBPRGKRZSA-N 1 1 361.423 3.302 20 5 FGBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000273903038 496952022 /nfs/dbraw/zinc/95/20/22/496952022.db2.gz XVJAMSFMRWIQBZ-CQSZACIVSA-N 1 1 365.449 3.106 20 5 FGBDMO Cc1cc(NC(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000195663540 496959190 /nfs/dbraw/zinc/95/91/90/496959190.db2.gz VVYCPZKPGMDCFU-OAHLLOKOSA-N 1 1 368.437 3.472 20 5 FGBDMO C[C@H](c1cc(F)ccc1F)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248372538 496986332 /nfs/dbraw/zinc/98/63/32/496986332.db2.gz AOXHNULVIGZOEL-TZMCWYRMSA-N 1 1 366.364 3.306 20 5 FGBDMO C[C@H](c1cc(F)ccc1F)[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248372538 496986333 /nfs/dbraw/zinc/98/63/33/496986333.db2.gz AOXHNULVIGZOEL-TZMCWYRMSA-N 1 1 366.364 3.306 20 5 FGBDMO C[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@H](c2ccccc2)C1 ZINC000578177633 505879265 /nfs/dbraw/zinc/87/92/65/505879265.db2.gz ZTXCJDWNFNJCSV-KRWDZBQOSA-N 1 1 358.373 3.255 20 5 FGBDMO C[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@H](c2ccccc2)C1 ZINC000578177633 505879269 /nfs/dbraw/zinc/87/92/69/505879269.db2.gz ZTXCJDWNFNJCSV-KRWDZBQOSA-N 1 1 358.373 3.255 20 5 FGBDMO CC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H](C)c1cccc(OC)c1 ZINC000248477570 497023911 /nfs/dbraw/zinc/02/39/11/497023911.db2.gz YTUVXZQRRWECIH-WBVHZDCISA-N 1 1 374.437 3.426 20 5 FGBDMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000248582777 497047711 /nfs/dbraw/zinc/04/77/11/497047711.db2.gz PDUXMWFNJRGOHX-BKTGTZMESA-N 1 1 371.412 3.399 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000248729773 497091528 /nfs/dbraw/zinc/09/15/28/497091528.db2.gz DCHWMYWOITZGLD-OXJNMPFZSA-N 1 1 367.449 3.164 20 5 FGBDMO Cc1cc(N2CCC(Nc3c4c(ccc3[N+](=O)[O-])NCC4)CC2)nc(C)[nH+]1 ZINC000278479199 497128334 /nfs/dbraw/zinc/12/83/34/497128334.db2.gz VEYOJILYERPVSC-UHFFFAOYSA-N 1 1 368.441 3.051 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)cc1 ZINC000265986786 497224852 /nfs/dbraw/zinc/22/48/52/497224852.db2.gz LBAUNHQUXBWMQQ-KRWDZBQOSA-N 1 1 366.377 3.218 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)cc1 ZINC000265986786 497224855 /nfs/dbraw/zinc/22/48/55/497224855.db2.gz LBAUNHQUXBWMQQ-KRWDZBQOSA-N 1 1 366.377 3.218 20 5 FGBDMO CC(=O)NCC1CC[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000271127268 497268699 /nfs/dbraw/zinc/26/86/99/497268699.db2.gz HPWUBQGSPMVWDR-UHFFFAOYSA-N 1 1 374.466 3.066 20 5 FGBDMO COCCC[N@@H+](C)Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000271175549 497281074 /nfs/dbraw/zinc/28/10/74/497281074.db2.gz FQFMCQIXFPLTMF-UHFFFAOYSA-N 1 1 366.336 3.013 20 5 FGBDMO C[NH+](C)CCOc1cc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)ccn1 ZINC000193059084 497290493 /nfs/dbraw/zinc/29/04/93/497290493.db2.gz VVAKQVZAPQGIHV-LJQANCHMSA-N 1 1 370.453 3.097 20 5 FGBDMO CCn1nccc1C1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000279113160 497337335 /nfs/dbraw/zinc/33/73/35/497337335.db2.gz SUHGVJASZXADTN-AWEZNQCLSA-N 1 1 371.441 3.018 20 5 FGBDMO C[C@@H](NC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000271750180 497437738 /nfs/dbraw/zinc/43/77/38/497437738.db2.gz SFDGLOYCXZVMIQ-OAHLLOKOSA-N 1 1 360.458 3.316 20 5 FGBDMO COc1cccc2c1CC[N@@H+]([C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000193720732 497458587 /nfs/dbraw/zinc/45/85/87/497458587.db2.gz UANCWISWLNIXBE-AWEZNQCLSA-N 1 1 369.421 3.031 20 5 FGBDMO COc1cccc2c1CC[N@H+]([C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000193720732 497458591 /nfs/dbraw/zinc/45/85/91/497458591.db2.gz UANCWISWLNIXBE-AWEZNQCLSA-N 1 1 369.421 3.031 20 5 FGBDMO Cc1cc(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000193808535 497489355 /nfs/dbraw/zinc/48/93/55/497489355.db2.gz HVLKJLUOPQBGKY-QGZVFWFLSA-N 1 1 353.422 3.155 20 5 FGBDMO Cc1ccc(N2CCC(C(=O)N3CCc4ccc([N+](=O)[O-])cc43)CC2)[nH+]c1 ZINC000194326779 497636236 /nfs/dbraw/zinc/63/62/36/497636236.db2.gz YWRDOHYZWBTQNI-UHFFFAOYSA-N 1 1 366.421 3.104 20 5 FGBDMO CCc1nc(CC[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000272549696 497658813 /nfs/dbraw/zinc/65/88/13/497658813.db2.gz RDHKEJLGTBUOPA-QGZVFWFLSA-N 1 1 371.466 3.269 20 5 FGBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000194419986 497660927 /nfs/dbraw/zinc/66/09/27/497660927.db2.gz PHTCTDIJDGAKNS-UHFFFAOYSA-N 1 1 360.458 3.026 20 5 FGBDMO COc1ccc(CC[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000272576436 497668002 /nfs/dbraw/zinc/66/80/02/497668002.db2.gz XGAMOBSUGQSCPR-IBGZPJMESA-N 1 1 366.421 3.259 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C1CCN(C(C)C)CC1 ZINC000263667794 497806955 /nfs/dbraw/zinc/80/69/55/497806955.db2.gz FRJKBZIVHQXPAR-UHFFFAOYSA-N 1 1 362.474 3.036 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C1CCN(C(C)C)CC1 ZINC000263667794 497806958 /nfs/dbraw/zinc/80/69/58/497806958.db2.gz FRJKBZIVHQXPAR-UHFFFAOYSA-N 1 1 362.474 3.036 20 5 FGBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000246820790 497813854 /nfs/dbraw/zinc/81/38/54/497813854.db2.gz CGSYNWNYTBWHHQ-GJZGRUSLSA-N 1 1 365.499 3.266 20 5 FGBDMO COCC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCc2cccnc21 ZINC000364343028 497909179 /nfs/dbraw/zinc/90/91/79/497909179.db2.gz WOIOWTTWYRQHFC-MOPGFXCFSA-N 1 1 371.437 3.049 20 5 FGBDMO O=[N+]([O-])c1c(N2CCC[N@@H+](CC3CCCCC3)CC2)nc2sccn21 ZINC000301128532 497964069 /nfs/dbraw/zinc/96/40/69/497964069.db2.gz XXQYKSCWENCECI-UHFFFAOYSA-N 1 1 363.487 3.396 20 5 FGBDMO COCCc1cc[nH+]c(NCc2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000285035109 497976914 /nfs/dbraw/zinc/97/69/14/497976914.db2.gz BRONAUTXCTVDPH-UHFFFAOYSA-N 1 1 353.325 3.392 20 5 FGBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000301221144 498004924 /nfs/dbraw/zinc/00/49/24/498004924.db2.gz BSXQTACVPBCRIG-FRRDWIJNSA-N 1 1 359.430 3.022 20 5 FGBDMO CCOCCC[N@H+]1CC[C@H](NCc2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000285256166 498035095 /nfs/dbraw/zinc/03/50/95/498035095.db2.gz IQBCWFGJEAVNIJ-UGSOOPFHSA-N 1 1 371.428 3.100 20 5 FGBDMO COCCc1cc[nH+]c(N[C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000572468896 505976612 /nfs/dbraw/zinc/97/66/12/505976612.db2.gz RQCVHNWMUIROJC-CYBMUJFWSA-N 1 1 358.398 3.008 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@H](Nc3ccccc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000301590552 498177579 /nfs/dbraw/zinc/17/75/79/498177579.db2.gz YTRHZSSQDZHZRW-HNNXBMFYSA-N 1 1 357.410 3.298 20 5 FGBDMO CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000330707857 498178279 /nfs/dbraw/zinc/17/82/79/498178279.db2.gz NASGJIQKVDIOCK-ZDUSSCGKSA-N 1 1 351.422 3.107 20 5 FGBDMO COc1cccc([C@H](C)[NH+]2CCN(c3ccc([N+](=O)[O-])c(C)n3)CC2)c1 ZINC000301621235 498190856 /nfs/dbraw/zinc/19/08/56/498190856.db2.gz FHBUCXZXPFISFV-HNNXBMFYSA-N 1 1 356.426 3.190 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000289590234 498208026 /nfs/dbraw/zinc/20/80/26/498208026.db2.gz PQTJFGYXYKQNKB-HKUYNNGSSA-N 1 1 373.453 3.265 20 5 FGBDMO CN(C(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000330983752 498230617 /nfs/dbraw/zinc/23/06/17/498230617.db2.gz QEGKXJQLWDAMCW-CYBMUJFWSA-N 1 1 359.348 3.220 20 5 FGBDMO CN(C(=O)C[N@H+]1CC[C@@H](C(F)(F)F)C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000330983752 498230622 /nfs/dbraw/zinc/23/06/22/498230622.db2.gz QEGKXJQLWDAMCW-CYBMUJFWSA-N 1 1 359.348 3.220 20 5 FGBDMO C[C@H](CNc1ncc(Br)cc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000301703334 498231572 /nfs/dbraw/zinc/23/15/72/498231572.db2.gz UNMIAADZSPDFQQ-WDEREUQCSA-N 1 1 357.252 3.285 20 5 FGBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000301728873 498242219 /nfs/dbraw/zinc/24/22/19/498242219.db2.gz RKLLADXUGBLNAQ-YPMHNXCESA-N 1 1 354.248 3.278 20 5 FGBDMO CNc1ccc(C(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)cc1[N+](=O)[O-] ZINC000578712384 506003074 /nfs/dbraw/zinc/00/30/74/506003074.db2.gz NJGQMUKWNIUKCJ-UHFFFAOYSA-N 1 1 370.409 3.024 20 5 FGBDMO CC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCOC(C)(C)C1 ZINC000289713732 498259183 /nfs/dbraw/zinc/25/91/83/498259183.db2.gz IAZHXECQUWYGKN-HNNXBMFYSA-N 1 1 350.415 3.241 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000360323198 498264750 /nfs/dbraw/zinc/26/47/50/498264750.db2.gz NIXCETWFNKRMCL-QGZVFWFLSA-N 1 1 368.437 3.191 20 5 FGBDMO Cc1cc(C[NH+]2CCC(N(C)c3ncc(Cl)cc3[N+](=O)[O-])CC2)on1 ZINC000360341617 498266263 /nfs/dbraw/zinc/26/62/63/498266263.db2.gz GRGTWENFAXPYPT-UHFFFAOYSA-N 1 1 365.821 3.040 20 5 FGBDMO Cc1cc(N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301821810 498279423 /nfs/dbraw/zinc/27/94/23/498279423.db2.gz KILQEHNWQPEGCH-WMLDXEAASA-N 1 1 355.442 3.279 20 5 FGBDMO CC1(C)c2ccccc2CC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000569763850 506010459 /nfs/dbraw/zinc/01/04/59/506010459.db2.gz LKCJDPGHSKBYNV-INIZCTEOSA-N 1 1 356.422 3.128 20 5 FGBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000293216735 498309722 /nfs/dbraw/zinc/30/97/22/498309722.db2.gz QMOGHRHUQAJICN-LLVKDONJSA-N 1 1 359.348 3.027 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCC(c4cnccn4)CC3)co2)cc1 ZINC000365151249 498324450 /nfs/dbraw/zinc/32/44/50/498324450.db2.gz MDXSSTXLPUIYLB-UHFFFAOYSA-N 1 1 365.393 3.419 20 5 FGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@H](n3cnc4ccccc43)C2)c1 ZINC000361189379 498357762 /nfs/dbraw/zinc/35/77/62/498357762.db2.gz HTOBQGLNBGGQBU-FXAWDEMLSA-N 1 1 366.421 3.315 20 5 FGBDMO CCCNC(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000293654655 498443928 /nfs/dbraw/zinc/44/39/28/498443928.db2.gz YFXBJIDEHGRMOD-UHFFFAOYSA-N 1 1 373.375 3.352 20 5 FGBDMO CCOc1cccc(N2CC[NH+]([C@H](C)c3cccnc3)CC2)c1[N+](=O)[O-] ZINC000302218213 498448420 /nfs/dbraw/zinc/44/84/20/498448420.db2.gz KSYYFFRFYPIXSW-OAHLLOKOSA-N 1 1 356.426 3.272 20 5 FGBDMO Cc1[nH+]c(CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)c2n1CCCC2 ZINC000362272362 498484865 /nfs/dbraw/zinc/48/48/65/498484865.db2.gz DWSMADXACKRMIU-UHFFFAOYSA-N 1 1 356.426 3.291 20 5 FGBDMO O=C1C[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CN1 ZINC000362337441 498499099 /nfs/dbraw/zinc/49/90/99/498499099.db2.gz WEHDICKKNLQWPI-YJBOKZPZSA-N 1 1 369.421 3.345 20 5 FGBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3csc(-c4ccccn4)n3)CC2)n1 ZINC000365519101 498508720 /nfs/dbraw/zinc/50/87/20/498508720.db2.gz WEANOINARAWPMG-UHFFFAOYSA-N 1 1 370.438 3.147 20 5 FGBDMO Cn1cc(C[N@@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000293880390 498520570 /nfs/dbraw/zinc/52/05/70/498520570.db2.gz DCGOLGLTPADUCI-PMACEKPBSA-N 1 1 368.437 3.139 20 5 FGBDMO Cn1cc(C[N@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000293880390 498520576 /nfs/dbraw/zinc/52/05/76/498520576.db2.gz DCGOLGLTPADUCI-PMACEKPBSA-N 1 1 368.437 3.139 20 5 FGBDMO Cc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2C)cc(N2CCCC2)[nH+]1 ZINC000290414209 498542401 /nfs/dbraw/zinc/54/24/01/498542401.db2.gz QZLVHDSMXGPOLR-UHFFFAOYSA-N 1 1 354.410 3.137 20 5 FGBDMO Cc1cccc(NC2CCN(C(=O)c3c(C)cccc3[N+](=O)[O-])CC2)[nH+]1 ZINC000365671448 498589996 /nfs/dbraw/zinc/58/99/96/498589996.db2.gz DSTRKZPFWXUDGB-UHFFFAOYSA-N 1 1 354.410 3.323 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000294146870 498603399 /nfs/dbraw/zinc/60/33/99/498603399.db2.gz NDRZDMLTHLGFIG-KRWDZBQOSA-N 1 1 351.834 3.115 20 5 FGBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000297913950 498608262 /nfs/dbraw/zinc/60/82/62/498608262.db2.gz UCNVNFZATKHTIF-NHYWBVRUSA-N 1 1 371.359 3.170 20 5 FGBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000297912048 498608364 /nfs/dbraw/zinc/60/83/64/498608364.db2.gz TZSNGZFEWIJRKQ-FZMZJTMJSA-N 1 1 371.359 3.170 20 5 FGBDMO Cc1ccc(N2CCC[C@@H](C(=O)N(C)c3cccc([N+](=O)[O-])c3)C2)[nH+]c1 ZINC000365732840 498618093 /nfs/dbraw/zinc/61/80/93/498618093.db2.gz GKGLMGHKCBDBGK-OAHLLOKOSA-N 1 1 354.410 3.178 20 5 FGBDMO Cc1cc(Cl)c(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000297999664 498632669 /nfs/dbraw/zinc/63/26/69/498632669.db2.gz ZEOBKHBSQBUGFF-DOMZBBRYSA-N 1 1 351.834 3.113 20 5 FGBDMO Cc1[nH+]cc2n1CC[C@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)C2 ZINC000365970758 498717632 /nfs/dbraw/zinc/71/76/32/498717632.db2.gz RPABRYMWQFGTJJ-INIZCTEOSA-N 1 1 356.426 3.099 20 5 FGBDMO C[NH+](C)[C@@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000581892321 506084268 /nfs/dbraw/zinc/08/42/68/506084268.db2.gz IVEKQOWTTCPFPJ-QGZVFWFLSA-N 1 1 359.813 3.440 20 5 FGBDMO Cc1sc(C(=O)N2C[C@@H]3C[N@H+](C)[C@@H](c4ccccc4)[C@H]3C2)cc1[N+](=O)[O-] ZINC000363418242 498810052 /nfs/dbraw/zinc/81/00/52/498810052.db2.gz FLNMZQZZQMYOIU-MPGHIAIKSA-N 1 1 371.462 3.340 20 5 FGBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc([C@@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1 ZINC000581970352 506102380 /nfs/dbraw/zinc/10/23/80/506102380.db2.gz XIYXZHIWRNTGIV-UZLNTIBLSA-N 1 1 370.409 3.464 20 5 FGBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc([C@@H]2C[N@H+]3CCC[C@@]3(C)CO2)no1 ZINC000581970352 506102384 /nfs/dbraw/zinc/10/23/84/506102384.db2.gz XIYXZHIWRNTGIV-UZLNTIBLSA-N 1 1 370.409 3.464 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000298767370 498871601 /nfs/dbraw/zinc/87/16/01/498871601.db2.gz MTWDIYWDGJJWMI-MRXNPFEDSA-N 1 1 358.398 3.097 20 5 FGBDMO CCc1nn(C)c(Nc2cccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2)c1[N+](=O)[O-] ZINC000570167740 506106211 /nfs/dbraw/zinc/10/62/11/506106211.db2.gz JWVXBWMKBXBBNH-OKILXGFUSA-N 1 1 373.457 3.244 20 5 FGBDMO CC(=O)c1ccc(N[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000363589794 498892691 /nfs/dbraw/zinc/89/26/91/498892691.db2.gz VNEPQNKKTXZEKU-KBRIMQKVSA-N 1 1 361.442 3.099 20 5 FGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000295135255 498920577 /nfs/dbraw/zinc/92/05/77/498920577.db2.gz LMMQDUVZOMEQBC-DNVCBOLYSA-N 1 1 370.453 3.286 20 5 FGBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000295148714 498925691 /nfs/dbraw/zinc/92/56/91/498925691.db2.gz BUJBMVKNLGROPG-UHFFFAOYSA-N 1 1 350.806 3.224 20 5 FGBDMO C[N@H+]1CC[C@@]2(CCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)C1 ZINC000366487652 498949576 /nfs/dbraw/zinc/94/95/76/498949576.db2.gz GJBORAVHWXCLGT-GOSISDBHSA-N 1 1 358.467 3.246 20 5 FGBDMO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2CCOc1ccccc1[N+](=O)[O-] ZINC000283776466 498979938 /nfs/dbraw/zinc/97/99/38/498979938.db2.gz QLIOQPOFQNUKNO-CVEARBPZSA-N 1 1 354.410 3.027 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000582072856 506127362 /nfs/dbraw/zinc/12/73/62/506127362.db2.gz LRDWFIQXBWKDMT-DQSGYLJSSA-N 1 1 359.470 3.185 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(CCC[N@H+]2C)CC1 ZINC000363910280 499050240 /nfs/dbraw/zinc/05/02/40/499050240.db2.gz UXDRTVSFJPPEPP-UHFFFAOYSA-N 1 1 363.483 3.407 20 5 FGBDMO C[C@H](NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000284275812 499081707 /nfs/dbraw/zinc/08/17/07/499081707.db2.gz XQEMCIHNOAGLDJ-DZGCQCFKSA-N 1 1 362.430 3.246 20 5 FGBDMO COc1cc(C[NH2+][C@@H]2c3ccccc3CC[C@H]2CO)c([N+](=O)[O-])cc1F ZINC000370520085 499228060 /nfs/dbraw/zinc/22/80/60/499228060.db2.gz TZVPWOIFTYLYHS-DJJJIMSYSA-N 1 1 360.385 3.128 20 5 FGBDMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000370703608 499245873 /nfs/dbraw/zinc/24/58/73/499245873.db2.gz ZPVHSRJEBXXPBY-HZPDHXFCSA-N 1 1 351.834 3.224 20 5 FGBDMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000370703608 499245874 /nfs/dbraw/zinc/24/58/74/499245874.db2.gz ZPVHSRJEBXXPBY-HZPDHXFCSA-N 1 1 351.834 3.224 20 5 FGBDMO C[C@H](C(=O)N[C@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000368202017 499273745 /nfs/dbraw/zinc/27/37/45/499273745.db2.gz PDPSSRSTERWECO-IXDGSTSKSA-N 1 1 371.412 3.051 20 5 FGBDMO O=C(c1cccs1)C1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000371002735 499279138 /nfs/dbraw/zinc/27/91/38/499279138.db2.gz CKIUPXZJLSOJDS-MRXNPFEDSA-N 1 1 360.435 3.285 20 5 FGBDMO CC(C)c1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000371026134 499281321 /nfs/dbraw/zinc/28/13/21/499281321.db2.gz BWHGFKFEHPUEDJ-AWEZNQCLSA-N 1 1 360.389 3.359 20 5 FGBDMO Cc1ccc(N2CCC(NC(=O)c3cc([N+](=O)[O-])cc(C)c3F)CC2)[nH+]c1 ZINC000368498255 499301956 /nfs/dbraw/zinc/30/19/56/499301956.db2.gz GHEHOKBDPDJORA-UHFFFAOYSA-N 1 1 372.400 3.145 20 5 FGBDMO Cn1ccnc1[C@H](N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000371666763 499352989 /nfs/dbraw/zinc/35/29/89/499352989.db2.gz WTESDMUCRRWHGI-QFBILLFUSA-N 1 1 369.469 3.024 20 5 FGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3nnc4n3CCC4)CC2)c(Cl)c1 ZINC000371699562 499356688 /nfs/dbraw/zinc/35/66/88/499356688.db2.gz HYJAUBZGCPEIMR-UHFFFAOYSA-N 1 1 361.833 3.166 20 5 FGBDMO Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2Cc2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000369282743 499387675 /nfs/dbraw/zinc/38/76/75/499387675.db2.gz IXJXGYHKVHRANG-WMLDXEAASA-N 1 1 364.833 3.070 20 5 FGBDMO Cc1ccc(C[NH+]2CCC(NC(=O)c3cccs3)CC2)cc1[N+](=O)[O-] ZINC000372434626 499434323 /nfs/dbraw/zinc/43/43/23/499434323.db2.gz DIWRDSUQBYQICI-UHFFFAOYSA-N 1 1 359.451 3.359 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](O)c2ccccc2C1 ZINC000373125269 499452761 /nfs/dbraw/zinc/45/27/61/499452761.db2.gz NCIFTAYQWTXDTG-IBGZPJMESA-N 1 1 369.421 3.171 20 5 FGBDMO COc1ccc(Cl)cc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373284914 499461591 /nfs/dbraw/zinc/46/15/91/499461591.db2.gz MYKVITSIPVJWCG-UHFFFAOYSA-N 1 1 350.806 3.290 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)ccc1Br ZINC000375300353 499504433 /nfs/dbraw/zinc/50/44/33/499504433.db2.gz ADVDWHKPUARCBL-OAHLLOKOSA-N 1 1 355.232 3.360 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@]3(C2)CCCOC3)ccc1Br ZINC000375300353 499504434 /nfs/dbraw/zinc/50/44/34/499504434.db2.gz ADVDWHKPUARCBL-OAHLLOKOSA-N 1 1 355.232 3.360 20 5 FGBDMO C[N@@H+](C[C@@H]1CC12CCN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)CC2)C1CC1 ZINC000378352254 499505591 /nfs/dbraw/zinc/50/55/91/499505591.db2.gz BJKDVRVPUGWCHS-JZLODUJNSA-N 1 1 369.465 3.331 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000378507676 499525581 /nfs/dbraw/zinc/52/55/81/499525581.db2.gz MFJHSBAYSFPDMN-ZSZQSSIHSA-N 1 1 358.442 3.286 20 5 FGBDMO C[C@H]1C[C@@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000379678046 499542866 /nfs/dbraw/zinc/54/28/66/499542866.db2.gz DYDWPIBCDNHOJM-HOCLYGCPSA-N 1 1 365.437 3.358 20 5 FGBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398168297 499566629 /nfs/dbraw/zinc/56/66/29/499566629.db2.gz UEXBJTQKNDFWCT-RHSMWYFYSA-N 1 1 357.458 3.442 20 5 FGBDMO C[C@@H]1C[N@@H+](C)CCN1c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000408433854 499588634 /nfs/dbraw/zinc/58/86/34/499588634.db2.gz NTKLATSHVBFEKQ-SNVBAGLBSA-N 1 1 365.231 3.046 20 5 FGBDMO C[C@H]1C[N@@H+](C)CCN1c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000408433853 499588741 /nfs/dbraw/zinc/58/87/41/499588741.db2.gz NTKLATSHVBFEKQ-JTQLQIEISA-N 1 1 365.231 3.046 20 5 FGBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000410635715 499671666 /nfs/dbraw/zinc/67/16/66/499671666.db2.gz LXENWSNKYWAVNI-QWRGUYRKSA-N 1 1 359.348 3.168 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCOCC4(CCCC4)C3)n2)c1 ZINC000377236202 499672661 /nfs/dbraw/zinc/67/26/61/499672661.db2.gz DUNRLGZYFALJKG-UHFFFAOYSA-N 1 1 358.398 3.037 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCOCC4(CCCC4)C3)n2)c1 ZINC000377236202 499672663 /nfs/dbraw/zinc/67/26/63/499672663.db2.gz DUNRLGZYFALJKG-UHFFFAOYSA-N 1 1 358.398 3.037 20 5 FGBDMO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000411522915 499751085 /nfs/dbraw/zinc/75/10/85/499751085.db2.gz GLLOGJMJGXOPNW-KDOFPFPSSA-N 1 1 354.410 3.402 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+]3CCC[C@H](CO)[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000414560106 499809110 /nfs/dbraw/zinc/80/91/10/499809110.db2.gz AGDPAWMNOWFUBL-UONOGXRCSA-N 1 1 360.410 3.456 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000411979709 499809238 /nfs/dbraw/zinc/80/92/38/499809238.db2.gz ILTQJHVBAYTGTB-SFHVURJKSA-N 1 1 353.422 3.026 20 5 FGBDMO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000412055806 499818189 /nfs/dbraw/zinc/81/81/89/499818189.db2.gz MQZKOBOXOOHALM-ZDUSSCGKSA-N 1 1 351.834 3.225 20 5 FGBDMO O=C1CCCN1[C@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000412055806 499818191 /nfs/dbraw/zinc/81/81/91/499818191.db2.gz MQZKOBOXOOHALM-ZDUSSCGKSA-N 1 1 351.834 3.225 20 5 FGBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000412307833 499843500 /nfs/dbraw/zinc/84/35/00/499843500.db2.gz IFYKJKYCDNVWTN-IBGZPJMESA-N 1 1 373.497 3.498 20 5 FGBDMO CCC[C@@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)CC[N@H+]1CCOC ZINC000413224573 499929256 /nfs/dbraw/zinc/92/92/56/499929256.db2.gz YSOVCIXFHXWVGF-QGZVFWFLSA-N 1 1 358.442 3.080 20 5 FGBDMO CC[N@@H+]1CCO[C@@H](CNc2ncc([N+](=O)[O-])cc2F)[C@@H]1c1ccccc1 ZINC000413281197 499936401 /nfs/dbraw/zinc/93/64/01/499936401.db2.gz NTUNTOUMVYAAJH-IRXDYDNUSA-N 1 1 360.389 3.003 20 5 FGBDMO CC[N@H+]1CCO[C@@H](CNc2ncc([N+](=O)[O-])cc2F)[C@@H]1c1ccccc1 ZINC000413281197 499936402 /nfs/dbraw/zinc/93/64/02/499936402.db2.gz NTUNTOUMVYAAJH-IRXDYDNUSA-N 1 1 360.389 3.003 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1OCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000421187182 499986711 /nfs/dbraw/zinc/98/67/11/499986711.db2.gz UNMGOMZEPPVFNH-UHFFFAOYSA-N 1 1 358.394 3.015 20 5 FGBDMO Nc1c(F)c(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000425278886 500063265 /nfs/dbraw/zinc/06/32/65/500063265.db2.gz TXBHGIFXGVJOKZ-WMLDXEAASA-N 1 1 356.401 3.027 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(Oc2ncccc2C)CC1 ZINC000429729526 500134316 /nfs/dbraw/zinc/13/43/16/500134316.db2.gz ZHLCGPYUTQHRLE-UHFFFAOYSA-N 1 1 357.410 3.350 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000421747855 500139114 /nfs/dbraw/zinc/13/91/14/500139114.db2.gz JOPWKXKEKYSFOD-UHFFFAOYSA-N 1 1 373.478 3.274 20 5 FGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425548646 500141563 /nfs/dbraw/zinc/14/15/63/500141563.db2.gz GPFVRWZNZSRVLW-KSSFIOAISA-N 1 1 373.453 3.203 20 5 FGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425548646 500141568 /nfs/dbraw/zinc/14/15/68/500141568.db2.gz GPFVRWZNZSRVLW-KSSFIOAISA-N 1 1 373.453 3.203 20 5 FGBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429805755 500147986 /nfs/dbraw/zinc/14/79/86/500147986.db2.gz GDEBXXMRGPHCQN-XHSDSOJGSA-N 1 1 361.486 3.355 20 5 FGBDMO CC(C)C[N@@H+]1CCCC[C@H]1CNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000582296249 506179780 /nfs/dbraw/zinc/17/97/80/506179780.db2.gz BNBNWFOMWSRCIH-INIZCTEOSA-N 1 1 362.474 3.024 20 5 FGBDMO CC(C)C[N@H+]1CCCC[C@H]1CNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000582296249 506179784 /nfs/dbraw/zinc/17/97/84/506179784.db2.gz BNBNWFOMWSRCIH-INIZCTEOSA-N 1 1 362.474 3.024 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000430209563 500209636 /nfs/dbraw/zinc/20/96/36/500209636.db2.gz RSEOBQCWMXEQLK-LJQANCHMSA-N 1 1 356.422 3.475 20 5 FGBDMO CC1(C)CCC[C@H]1[N@H+](Cc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000426819945 500325091 /nfs/dbraw/zinc/32/50/91/500325091.db2.gz JKQCKXWDEFWWFP-RTBURBONSA-N 1 1 372.469 3.233 20 5 FGBDMO CC[NH+](CC)[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000427912718 500444807 /nfs/dbraw/zinc/44/48/07/500444807.db2.gz MKRVLFUJHHUSDN-GOSISDBHSA-N 1 1 357.410 3.113 20 5 FGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(CN2CCOCC2)cc1 ZINC000420968892 500543277 /nfs/dbraw/zinc/54/32/77/500543277.db2.gz XMXXHPDKGZEUAH-UHFFFAOYSA-N 1 1 369.465 3.102 20 5 FGBDMO C[C@]12CC[N@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@H]1C2(F)F ZINC000428705080 500546352 /nfs/dbraw/zinc/54/63/52/500546352.db2.gz AQMMWUKDYFBNFB-DOMZBBRYSA-N 1 1 350.325 3.122 20 5 FGBDMO C[C@]12CC[N@@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@H]1C2(F)F ZINC000428705080 500546357 /nfs/dbraw/zinc/54/63/57/500546357.db2.gz AQMMWUKDYFBNFB-DOMZBBRYSA-N 1 1 350.325 3.122 20 5 FGBDMO Cc1ccccc1C[C@@H](C)[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000447403113 500601063 /nfs/dbraw/zinc/60/10/63/500601063.db2.gz CNRDITSZPNYKJK-APWZRJJASA-N 1 1 358.438 3.206 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(=NC[C@@H]3CCC[N@@H+](Cc4cccs4)C3)[nH]c2c1 ZINC000447695235 500647439 /nfs/dbraw/zinc/64/74/39/500647439.db2.gz VYQFPCVMJLTRGZ-ZDUSSCGKSA-N 1 1 371.466 3.279 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437833245 500702857 /nfs/dbraw/zinc/70/28/57/500702857.db2.gz AZEKCWRAUAOOBE-MRXNPFEDSA-N 1 1 361.442 3.130 20 5 FGBDMO O=[N+]([O-])c1sc(C[NH2+][C@H]2c3ccccc3C[C@@H]2O)cc1Br ZINC000602566833 506218822 /nfs/dbraw/zinc/21/88/22/506218822.db2.gz BSYMQQASVVNHRW-STQMWFEESA-N 1 1 369.240 3.167 20 5 FGBDMO O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000434417319 500839888 /nfs/dbraw/zinc/83/98/88/500839888.db2.gz USOBFQBVKHYPGF-ZDUSSCGKSA-N 1 1 371.359 3.360 20 5 FGBDMO C[C@@H](c1ccsc1)[NH+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444687393 500879198 /nfs/dbraw/zinc/87/91/98/500879198.db2.gz UWYUVWUXIFTCSX-ZDUSSCGKSA-N 1 1 371.466 3.411 20 5 FGBDMO CCOc1cc(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000444729682 500890207 /nfs/dbraw/zinc/89/02/07/500890207.db2.gz SERJTWIKQWPTFH-SWLSCSKDSA-N 1 1 362.348 3.129 20 5 FGBDMO CCOc1cc(C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000444729682 500890209 /nfs/dbraw/zinc/89/02/09/500890209.db2.gz SERJTWIKQWPTFH-SWLSCSKDSA-N 1 1 362.348 3.129 20 5 FGBDMO CC(C)[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@H](O)COc1ccccc1 ZINC000444808036 500905394 /nfs/dbraw/zinc/90/53/94/500905394.db2.gz PDMZSZUPNQATCR-HNNXBMFYSA-N 1 1 350.440 3.307 20 5 FGBDMO CC(C)[N@H+](Cc1csc([N+](=O)[O-])c1)C[C@H](O)COc1ccccc1 ZINC000444808036 500905398 /nfs/dbraw/zinc/90/53/98/500905398.db2.gz PDMZSZUPNQATCR-HNNXBMFYSA-N 1 1 350.440 3.307 20 5 FGBDMO C[C@@H]1CN(CC[N@@H+](C)Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](C)O1 ZINC000435051822 500928243 /nfs/dbraw/zinc/92/82/43/500928243.db2.gz DZOYCFRNIQGOPI-IYBDPMFKSA-N 1 1 373.453 3.396 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC000449132018 500931969 /nfs/dbraw/zinc/93/19/69/500931969.db2.gz RCTXUNIYQOYEDS-UHFFFAOYSA-N 1 1 358.394 3.445 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000439900791 500952719 /nfs/dbraw/zinc/95/27/19/500952719.db2.gz LOFCBUDPERNRAM-CQSZACIVSA-N 1 1 362.386 3.011 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000449493918 501016995 /nfs/dbraw/zinc/01/69/95/501016995.db2.gz MJVYFXFKFOSBTB-DZGCQCFKSA-N 1 1 350.369 3.443 20 5 FGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@](C)(NCC(=O)OC(C)(C)C)C1 ZINC000440517056 501017583 /nfs/dbraw/zinc/01/75/83/501017583.db2.gz HRUHQIGPPJGQGS-IFXJQAMLSA-N 1 1 363.458 3.052 20 5 FGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@](C)(NCC(=O)OC(C)(C)C)C1 ZINC000440517056 501017585 /nfs/dbraw/zinc/01/75/85/501017585.db2.gz HRUHQIGPPJGQGS-IFXJQAMLSA-N 1 1 363.458 3.052 20 5 FGBDMO Cc1cc(C)c(C(=O)NC2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)o1 ZINC000598928367 506230632 /nfs/dbraw/zinc/23/06/32/506230632.db2.gz ZKBMVDLEUNRBSY-UHFFFAOYSA-N 1 1 357.410 3.199 20 5 FGBDMO Cc1nc(N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)ncc1[N+](=O)[O-] ZINC000450365834 501101803 /nfs/dbraw/zinc/10/18/03/501101803.db2.gz QJLABERSQRYHNS-FQEVSTJZSA-N 1 1 367.453 3.186 20 5 FGBDMO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000436407493 501122290 /nfs/dbraw/zinc/12/22/90/501122290.db2.gz TVUQVNMRMAJLSI-WCQYABFASA-N 1 1 370.375 3.462 20 5 FGBDMO C[C@@H]1C[C@H](N(C)C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000449988284 501146562 /nfs/dbraw/zinc/14/65/62/501146562.db2.gz SBTXWZDXKJGVJS-ZYHUDNBSSA-N 1 1 359.348 3.168 20 5 FGBDMO Cc1nc(NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)ncc1[N+](=O)[O-] ZINC000450259374 501220907 /nfs/dbraw/zinc/22/09/07/501220907.db2.gz WHNJOILNMXWNKP-CQSZACIVSA-N 1 1 355.442 3.102 20 5 FGBDMO CCN1CC[NH+](CC(C)(C)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000450921157 501229875 /nfs/dbraw/zinc/22/98/75/501229875.db2.gz FBIKZRHCPCAOSI-UHFFFAOYSA-N 1 1 374.407 3.442 20 5 FGBDMO COc1cc(C[N@H+](C)[C@H](CO)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000451331597 501267253 /nfs/dbraw/zinc/26/72/53/501267253.db2.gz OEBOYUBSYOFLLO-MRXNPFEDSA-N 1 1 350.802 3.422 20 5 FGBDMO COc1cc(C[N@@H+](C)[C@H](CO)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000451331597 501267257 /nfs/dbraw/zinc/26/72/57/501267257.db2.gz OEBOYUBSYOFLLO-MRXNPFEDSA-N 1 1 350.802 3.422 20 5 FGBDMO COc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c([N+](=O)[O-])cc1F ZINC000451343891 501270304 /nfs/dbraw/zinc/27/03/04/501270304.db2.gz AAJDQYXIICTDLM-LXZKKBNFSA-N 1 1 352.406 3.258 20 5 FGBDMO O=c1cc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)nc2sccn21 ZINC000451545434 501319188 /nfs/dbraw/zinc/31/91/88/501319188.db2.gz HILMOXWDJLEJDX-AWEZNQCLSA-N 1 1 370.434 3.044 20 5 FGBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](C[C@@H](O)COc3ccccc3)C2)cc1 ZINC000451557840 501323903 /nfs/dbraw/zinc/32/39/03/501323903.db2.gz FKXRPMGOEZOVCE-PKOBYXMFSA-N 1 1 356.422 3.214 20 5 FGBDMO CO[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C12CCC2 ZINC000451863555 501388722 /nfs/dbraw/zinc/38/87/22/501388722.db2.gz YWFUBXBLDKHXIM-IAGOWNOFSA-N 1 1 361.442 3.121 20 5 FGBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000451878483 501391535 /nfs/dbraw/zinc/39/15/35/501391535.db2.gz MZPCJDKCUUYKJZ-NSHDSACASA-N 1 1 361.364 3.464 20 5 FGBDMO COc1cccc([C@H]2C[C@H]([N@@H+](C)CC(=O)Nc3ccccc3[N+](=O)[O-])C2)c1 ZINC000452022933 501420085 /nfs/dbraw/zinc/42/00/85/501420085.db2.gz VYJPKYSCWRKNPV-WKILWMFISA-N 1 1 369.421 3.420 20 5 FGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000602679779 506257964 /nfs/dbraw/zinc/25/79/64/506257964.db2.gz JDKRHSIVMIUGFE-SKDRFNHKSA-N 1 1 372.265 3.359 20 5 FGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000602679779 506257971 /nfs/dbraw/zinc/25/79/71/506257971.db2.gz JDKRHSIVMIUGFE-SKDRFNHKSA-N 1 1 372.265 3.359 20 5 FGBDMO C[C@H](NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C1=CC[N@@H+](C)CC1 ZINC000454777488 501627838 /nfs/dbraw/zinc/62/78/38/501627838.db2.gz QVTHMSGFTYIACT-MAUKXSAKSA-N 1 1 372.469 3.134 20 5 FGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CCCC1(C)C ZINC000457081314 501647207 /nfs/dbraw/zinc/64/72/07/501647207.db2.gz VKCUQNCMPTVDPU-CYBMUJFWSA-N 1 1 351.472 3.066 20 5 FGBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC000457095752 501649913 /nfs/dbraw/zinc/64/99/13/501649913.db2.gz QEGOQOWYEPHJQM-NSHDSACASA-N 1 1 359.348 3.168 20 5 FGBDMO C[C@H](NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000455091646 501686320 /nfs/dbraw/zinc/68/63/20/501686320.db2.gz IYCHPUXVDMKROB-AWEZNQCLSA-N 1 1 371.441 3.054 20 5 FGBDMO CCCN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C)C1 ZINC000592828914 506267711 /nfs/dbraw/zinc/26/77/11/506267711.db2.gz LFDWXXWJYLRBDP-CYBMUJFWSA-N 1 1 371.890 3.283 20 5 FGBDMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1nc2c(s1)CCC2 ZINC000459641501 501691702 /nfs/dbraw/zinc/69/17/02/501691702.db2.gz YMBWRCVRDDMBEZ-WDEREUQCSA-N 1 1 360.439 3.218 20 5 FGBDMO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000459766138 501711055 /nfs/dbraw/zinc/71/10/55/501711055.db2.gz OVEJXIANSCMJMW-AWEZNQCLSA-N 1 1 371.412 3.186 20 5 FGBDMO C[C@@]1(Cc2ccccc2)CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000467219680 501741901 /nfs/dbraw/zinc/74/19/01/501741901.db2.gz URXYMEGSEJNPGQ-CTNGQTDRSA-N 1 1 370.449 3.432 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)c2ncc([N+](=O)[O-])cc2Br)C[C@@H]1C ZINC000485165448 501744800 /nfs/dbraw/zinc/74/48/00/501744800.db2.gz UKWAZUJGYGNVDA-WDEREUQCSA-N 1 1 357.252 3.061 20 5 FGBDMO CCCN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CC[N@@H+](C)C1 ZINC000592832137 506270948 /nfs/dbraw/zinc/27/09/48/506270948.db2.gz QZHGFYLPABQXCS-OAHLLOKOSA-N 1 1 374.466 3.275 20 5 FGBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000582526320 506273272 /nfs/dbraw/zinc/27/32/72/506273272.db2.gz QVWRMRBRNFMIAZ-OAHLLOKOSA-N 1 1 373.375 3.359 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000481528406 501803640 /nfs/dbraw/zinc/80/36/40/501803640.db2.gz NBTSZORQAIURDH-OAHLLOKOSA-N 1 1 359.401 3.165 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)nc1-c1ccc(F)cc1 ZINC000485391638 501807149 /nfs/dbraw/zinc/80/71/49/501807149.db2.gz RKPWXZXIYYQVOY-JKSUJKDBSA-N 1 1 356.401 3.257 20 5 FGBDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000481663299 501843148 /nfs/dbraw/zinc/84/31/48/501843148.db2.gz WLOHQFYMFWRXRH-HNNXBMFYSA-N 1 1 370.453 3.095 20 5 FGBDMO Cc1ccc(CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)Cc2ccco2)cc1 ZINC000478030101 501860135 /nfs/dbraw/zinc/86/01/35/501860135.db2.gz WXNFNZWMUITQHF-UHFFFAOYSA-N 1 1 354.410 3.438 20 5 FGBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000460660361 501887807 /nfs/dbraw/zinc/88/78/07/501887807.db2.gz FPOUVPJGYJIVGX-ZDUSSCGKSA-N 1 1 370.881 3.210 20 5 FGBDMO C[C@@H]1C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@@H]1c1ccccc1 ZINC000471016902 501892449 /nfs/dbraw/zinc/89/24/49/501892449.db2.gz GBDVZIKIQGVCOE-ZMYBRWDISA-N 1 1 351.406 3.393 20 5 FGBDMO C[C@@H]1C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@@H]1c1ccccc1 ZINC000471016902 501892451 /nfs/dbraw/zinc/89/24/51/501892451.db2.gz GBDVZIKIQGVCOE-ZMYBRWDISA-N 1 1 351.406 3.393 20 5 FGBDMO O=c1[nH]ccc(N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1[N+](=O)[O-] ZINC000596150887 506281465 /nfs/dbraw/zinc/28/14/65/506281465.db2.gz DFVKZEGKUMTFEJ-HXUWFJFHSA-N 1 1 368.437 3.188 20 5 FGBDMO COc1cc(CN2CCC[N@@H+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000485769990 501929385 /nfs/dbraw/zinc/92/93/85/501929385.db2.gz ZFNNDWRUXWFZIU-UHFFFAOYSA-N 1 1 355.438 3.311 20 5 FGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)c2ccc(Br)cc2)c(F)c1 ZINC000478323599 501944057 /nfs/dbraw/zinc/94/40/57/501944057.db2.gz KYAGYAULBNVEOS-OAHLLOKOSA-N 1 1 369.190 3.320 20 5 FGBDMO O=[N+]([O-])c1sc(C[NH2+][C@H]2CCCn3nccc32)cc1Br ZINC000602750167 506284009 /nfs/dbraw/zinc/28/40/09/506284009.db2.gz DRZYAAVXGQXXGN-JTQLQIEISA-N 1 1 357.233 3.240 20 5 FGBDMO CCOc1cc(NC[C@H](CC(C)C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000471255224 501968194 /nfs/dbraw/zinc/96/81/94/501968194.db2.gz REWYIUZRSDQILS-INIZCTEOSA-N 1 1 351.447 3.152 20 5 FGBDMO CCC1(CC)CC[NH+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000485879636 501972802 /nfs/dbraw/zinc/97/28/02/501972802.db2.gz GOLATGUVNCTKKG-UHFFFAOYSA-N 1 1 363.414 3.164 20 5 FGBDMO Cc1c(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000471379976 502005029 /nfs/dbraw/zinc/00/50/29/502005029.db2.gz NHWKZUMLINIBMG-HDICACEKSA-N 1 1 365.433 3.107 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@H](C)C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000475093131 502054259 /nfs/dbraw/zinc/05/42/59/502054259.db2.gz FYFWGBABGOFLTD-AWEZNQCLSA-N 1 1 362.426 3.159 20 5 FGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000461263909 502055441 /nfs/dbraw/zinc/05/54/41/502055441.db2.gz KLBKQIGYQPGLNP-CABCVRRESA-N 1 1 365.499 3.408 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000475120728 502067862 /nfs/dbraw/zinc/06/78/62/502067862.db2.gz ORPXTOVNAYIOES-HNNXBMFYSA-N 1 1 350.415 3.015 20 5 FGBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000596174890 506292949 /nfs/dbraw/zinc/29/29/49/506292949.db2.gz NXHZBWQYSGPUGW-SNVBAGLBSA-N 1 1 351.204 3.085 20 5 FGBDMO CCCC[C@H](C(=O)OC)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464782856 502093831 /nfs/dbraw/zinc/09/38/31/502093831.db2.gz BHKVNMNCQDFZOH-QGZVFWFLSA-N 1 1 350.415 3.170 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccnn3-c3ccc(F)cc3)nc2c1 ZINC000475190696 502094505 /nfs/dbraw/zinc/09/45/05/502094505.db2.gz HIUPVIJFXZHXJO-UHFFFAOYSA-N 1 1 366.356 3.086 20 5 FGBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475198925 502097141 /nfs/dbraw/zinc/09/71/41/502097141.db2.gz RRAJJUWNQPGMPY-UWVGGRQHSA-N 1 1 360.336 3.170 20 5 FGBDMO C[C@@H](C(=O)NCCC1=CCCCC1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000582558345 506293749 /nfs/dbraw/zinc/29/37/49/506293749.db2.gz AYBBVZNLQWGXNA-INIZCTEOSA-N 1 1 359.470 3.464 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000475316156 502131655 /nfs/dbraw/zinc/13/16/55/502131655.db2.gz KPYPEFOOZUICDC-KRWDZBQOSA-N 1 1 353.422 3.250 20 5 FGBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000461617919 502154644 /nfs/dbraw/zinc/15/46/44/502154644.db2.gz IAQNXPSIRMVUIE-ZIAGYGMSSA-N 1 1 353.488 3.312 20 5 FGBDMO CCOc1cc(N2CC[NH+](C/C=C\c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000475493854 502189831 /nfs/dbraw/zinc/18/98/31/502189831.db2.gz GOANKVNMHFYMME-ARJAWSKDSA-N 1 1 368.437 3.224 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+](Cc2ccccc2)C2CC2)cc1[N+](=O)[O-] ZINC000475556668 502211915 /nfs/dbraw/zinc/21/19/15/502211915.db2.gz WHLFEZDZSFELPB-UHFFFAOYSA-N 1 1 370.405 3.311 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@H]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000475558942 502213097 /nfs/dbraw/zinc/21/30/97/502213097.db2.gz LZGBQAZLMLQURY-ZFWWWQNUSA-N 1 1 350.415 3.157 20 5 FGBDMO C[C@H](CCNC(=O)CNc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000472062638 502216286 /nfs/dbraw/zinc/21/62/86/502216286.db2.gz AQYJRYPFKAPSKF-MRXNPFEDSA-N 1 1 370.453 3.034 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000475669926 502248419 /nfs/dbraw/zinc/24/84/19/502248419.db2.gz SVXDAKROMLDVGU-FQEVSTJZSA-N 1 1 356.422 3.173 20 5 FGBDMO CCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000472238582 502280574 /nfs/dbraw/zinc/28/05/74/502280574.db2.gz GOQYYWKJCCJJEO-LJQANCHMSA-N 1 1 371.485 3.168 20 5 FGBDMO CCCN(CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000472238582 502280577 /nfs/dbraw/zinc/28/05/77/502280577.db2.gz GOQYYWKJCCJJEO-LJQANCHMSA-N 1 1 371.485 3.168 20 5 FGBDMO CCCN(CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000472238582 502280581 /nfs/dbraw/zinc/28/05/81/502280581.db2.gz GOQYYWKJCCJJEO-LJQANCHMSA-N 1 1 371.485 3.168 20 5 FGBDMO Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000462163472 502329777 /nfs/dbraw/zinc/32/97/77/502329777.db2.gz KGVZGCBMBHGADL-DNVCBOLYSA-N 1 1 353.422 3.154 20 5 FGBDMO CC(C)c1ccc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c(O)c(=O)c1 ZINC000596222889 506317950 /nfs/dbraw/zinc/31/79/50/506317950.db2.gz OGEFFILFSONEAL-UHFFFAOYSA-N 1 1 356.422 3.459 20 5 FGBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000466302243 502532146 /nfs/dbraw/zinc/53/21/46/502532146.db2.gz DFYKEOVGEIEQNN-XJKSGUPXSA-N 1 1 357.385 3.299 20 5 FGBDMO C[C@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000487861137 502549726 /nfs/dbraw/zinc/54/97/26/502549726.db2.gz QUBOIGZCSJQAGN-HUUCEWRRSA-N 1 1 362.474 3.392 20 5 FGBDMO O=c1c2ccccc2n(Cc2cn3cc(Cl)ccc3[nH+]2)cc1[N+](=O)[O-] ZINC000487886726 502556923 /nfs/dbraw/zinc/55/69/23/502556923.db2.gz MOKNONJZTZWQHZ-UHFFFAOYSA-N 1 1 354.753 3.259 20 5 FGBDMO Cc1[nH+]cn(-c2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3N)cc2)c1C ZINC000462771949 502564190 /nfs/dbraw/zinc/56/41/90/502564190.db2.gz GGIOEDFAOUFWIE-UHFFFAOYSA-N 1 1 369.356 3.371 20 5 FGBDMO COc1ccc([N+](=O)[O-])c(N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000462824167 502588590 /nfs/dbraw/zinc/58/85/90/502588590.db2.gz BXPAFXLYVVDJJY-VMPITWQZSA-N 1 1 353.422 3.439 20 5 FGBDMO Cc1sc(C(=O)NCC[N@H+]2CC=C(C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000476912145 502618572 /nfs/dbraw/zinc/61/85/72/502618572.db2.gz JTIPNYLUGUBETR-UHFFFAOYSA-N 1 1 351.472 3.373 20 5 FGBDMO Cc1sc(C(=O)NCC[N@@H+]2CC=C(C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000476912145 502618573 /nfs/dbraw/zinc/61/85/73/502618573.db2.gz JTIPNYLUGUBETR-UHFFFAOYSA-N 1 1 351.472 3.373 20 5 FGBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000470139956 502674458 /nfs/dbraw/zinc/67/44/58/502674458.db2.gz BZAGAEREAAKVAJ-QBIMZIAESA-N 1 1 371.462 3.409 20 5 FGBDMO Cc1cccc(C[NH+]2CCN(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)CC2)c1 ZINC000470152767 502681525 /nfs/dbraw/zinc/68/15/25/502681525.db2.gz OJGBHHXIEHHGKT-UHFFFAOYSA-N 1 1 372.400 3.392 20 5 FGBDMO Cc1cc(N2CCC[C@@H]([NH+]3CCOCC3)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000596247148 506328305 /nfs/dbraw/zinc/32/83/05/506328305.db2.gz LKFWMPMLYXSHSK-CYBMUJFWSA-N 1 1 373.375 3.223 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC(=O)NCc1ccccc1 ZINC000470174027 502693915 /nfs/dbraw/zinc/69/39/15/502693915.db2.gz HLWTVXSVUZLJLD-LFIBNONCSA-N 1 1 353.422 3.246 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CC(=O)NCc1ccccc1 ZINC000470174027 502693918 /nfs/dbraw/zinc/69/39/18/502693918.db2.gz HLWTVXSVUZLJLD-LFIBNONCSA-N 1 1 353.422 3.246 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000477292774 502731452 /nfs/dbraw/zinc/73/14/52/502731452.db2.gz QMTXMCAQJKDQAL-LJQANCHMSA-N 1 1 353.422 3.235 20 5 FGBDMO CC(C)[C@@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@H+]1C ZINC000488562599 502751638 /nfs/dbraw/zinc/75/16/38/502751638.db2.gz RZWYVIJQKLOMBD-KRWDZBQOSA-N 1 1 360.483 3.490 20 5 FGBDMO Cc1cccc(CCC[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000481092073 502751974 /nfs/dbraw/zinc/75/19/74/502751974.db2.gz MEZMQQRGBFZNJU-UHFFFAOYSA-N 1 1 367.449 3.294 20 5 FGBDMO C[C@H]1[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000588771327 506333982 /nfs/dbraw/zinc/33/39/82/506333982.db2.gz WLARBGDKLXVRGX-SCLBCKFNSA-N 1 1 357.385 3.127 20 5 FGBDMO CC(C)[C@@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000599133484 506336616 /nfs/dbraw/zinc/33/66/16/506336616.db2.gz QTNCXNDEISVBGN-KRWDZBQOSA-N 1 1 356.426 3.042 20 5 FGBDMO O=C(NCC[NH+]1CCSCC1)c1cc2ccccc2c2cccnc12 ZINC000488918846 502837863 /nfs/dbraw/zinc/83/78/63/502837863.db2.gz RAJRXAJLSAEXGD-UHFFFAOYSA-N 1 1 351.475 3.167 20 5 FGBDMO CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000489208182 502901482 /nfs/dbraw/zinc/90/14/82/502901482.db2.gz UTYQVXGMLHBSRK-HOCLYGCPSA-N 1 1 363.458 3.120 20 5 FGBDMO CC(C)[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000513424313 502935305 /nfs/dbraw/zinc/93/53/05/502935305.db2.gz GAUREFAHYGAVOO-QGZVFWFLSA-N 1 1 359.451 3.280 20 5 FGBDMO CC(C)[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000513424313 502935307 /nfs/dbraw/zinc/93/53/07/502935307.db2.gz GAUREFAHYGAVOO-QGZVFWFLSA-N 1 1 359.451 3.280 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(=O)N(C)C(C)C)CC1 ZINC000509580555 502940207 /nfs/dbraw/zinc/94/02/07/502940207.db2.gz RUGZACZPAQABSA-UHFFFAOYSA-N 1 1 363.458 3.072 20 5 FGBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000505684812 502965452 /nfs/dbraw/zinc/96/54/52/502965452.db2.gz ZVMIXZQNWPSKLR-PXNSSMCTSA-N 1 1 359.470 3.108 20 5 FGBDMO O=C(NC1CCCCC1)C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000505795596 502988014 /nfs/dbraw/zinc/98/80/14/502988014.db2.gz KDNPZLYYIQPDCU-UHFFFAOYSA-N 1 1 363.433 3.395 20 5 FGBDMO COc1cc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OC)c1 ZINC000514088213 503084542 /nfs/dbraw/zinc/08/45/42/503084542.db2.gz KPEDQNBPEDOMQY-CYBMUJFWSA-N 1 1 373.409 3.071 20 5 FGBDMO COc1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OC)c1 ZINC000514088213 503084548 /nfs/dbraw/zinc/08/45/48/503084548.db2.gz KPEDQNBPEDOMQY-CYBMUJFWSA-N 1 1 373.409 3.071 20 5 FGBDMO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000506500149 503127270 /nfs/dbraw/zinc/12/72/70/503127270.db2.gz OEOJGUZFAZTPKK-CQSZACIVSA-N 1 1 369.421 3.256 20 5 FGBDMO CC[N@@H+]1C[C@H](C)N(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000498558894 503211381 /nfs/dbraw/zinc/21/13/81/503211381.db2.gz XRTGFHSHTMHFLD-MELADBBJSA-N 1 1 351.472 3.017 20 5 FGBDMO CC[N@H+]1C[C@H](C)N(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000498558894 503211383 /nfs/dbraw/zinc/21/13/83/503211383.db2.gz XRTGFHSHTMHFLD-MELADBBJSA-N 1 1 351.472 3.017 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000507116682 503233881 /nfs/dbraw/zinc/23/38/81/503233881.db2.gz CFTFCUBUBYOIST-UHFFFAOYSA-N 1 1 367.449 3.376 20 5 FGBDMO CCN(Cc1cccc(F)c1)C(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511059007 503243617 /nfs/dbraw/zinc/24/36/17/503243617.db2.gz JHVPFNMVVWIQEJ-UHFFFAOYSA-N 1 1 373.428 3.257 20 5 FGBDMO CCN(Cc1cccc(F)c1)C(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511059007 503243622 /nfs/dbraw/zinc/24/36/22/503243622.db2.gz JHVPFNMVVWIQEJ-UHFFFAOYSA-N 1 1 373.428 3.257 20 5 FGBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)N(Cc1ccccc1)C1CC1 ZINC000511063313 503244994 /nfs/dbraw/zinc/24/49/94/503244994.db2.gz GYABBYBWTXAKRW-UHFFFAOYSA-N 1 1 367.449 3.260 20 5 FGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)N(Cc1ccccc1)C1CC1 ZINC000511063313 503244996 /nfs/dbraw/zinc/24/49/96/503244996.db2.gz GYABBYBWTXAKRW-UHFFFAOYSA-N 1 1 367.449 3.260 20 5 FGBDMO Cc1ccc(CNC(=O)[C@@H](C)[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000511072732 503247903 /nfs/dbraw/zinc/24/79/03/503247903.db2.gz HBZWWHPEHCCURH-MRXNPFEDSA-N 1 1 355.438 3.082 20 5 FGBDMO Cc1ccc(CNC(=O)[C@@H](C)[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000511072732 503247907 /nfs/dbraw/zinc/24/79/07/503247907.db2.gz HBZWWHPEHCCURH-MRXNPFEDSA-N 1 1 355.438 3.082 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511081369 503250068 /nfs/dbraw/zinc/25/00/68/503250068.db2.gz MLAKQFASEUMNIY-LBPRGKRZSA-N 1 1 363.364 3.375 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511081369 503250072 /nfs/dbraw/zinc/25/00/72/503250072.db2.gz MLAKQFASEUMNIY-LBPRGKRZSA-N 1 1 363.364 3.375 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000511589156 503349434 /nfs/dbraw/zinc/34/94/34/503349434.db2.gz WDXNTMFHLPOYSN-CQSZACIVSA-N 1 1 370.331 3.468 20 5 FGBDMO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000503220372 503370666 /nfs/dbraw/zinc/37/06/66/503370666.db2.gz UFVBUWJOVNVJLP-MRXNPFEDSA-N 1 1 371.437 3.125 20 5 FGBDMO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000503220372 503370669 /nfs/dbraw/zinc/37/06/69/503370669.db2.gz UFVBUWJOVNVJLP-MRXNPFEDSA-N 1 1 371.437 3.125 20 5 FGBDMO CCOc1cc(C[N@@H+]2C[C@@H](CC)N(C(C)=O)C[C@@H]2CC)ccc1[N+](=O)[O-] ZINC000492647114 503378861 /nfs/dbraw/zinc/37/88/61/503378861.db2.gz CSHXXAUNIIKOFY-DLBZAZTESA-N 1 1 363.458 3.215 20 5 FGBDMO CCOc1cc(C[N@H+]2C[C@@H](CC)N(C(C)=O)C[C@@H]2CC)ccc1[N+](=O)[O-] ZINC000492647114 503378862 /nfs/dbraw/zinc/37/88/62/503378862.db2.gz CSHXXAUNIIKOFY-DLBZAZTESA-N 1 1 363.458 3.215 20 5 FGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@H]1Cn1cc(C2CC2)nn1 ZINC000493540365 503432030 /nfs/dbraw/zinc/43/20/30/503432030.db2.gz ZOVMLEFQRQPXPF-ZDUSSCGKSA-N 1 1 361.833 3.382 20 5 FGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@H]1Cn1cc(C2CC2)nn1 ZINC000493540365 503432034 /nfs/dbraw/zinc/43/20/34/503432034.db2.gz ZOVMLEFQRQPXPF-ZDUSSCGKSA-N 1 1 361.833 3.382 20 5 FGBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CCc1nc(-c2ccccc2)no1 ZINC000512194933 503483420 /nfs/dbraw/zinc/48/34/20/503483420.db2.gz MBBQMIWUHTXVQY-UHFFFAOYSA-N 1 1 368.393 3.198 20 5 FGBDMO Cc1ccc2c(c1)C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CCO2 ZINC000512260243 503501559 /nfs/dbraw/zinc/50/15/59/503501559.db2.gz NBAMTWJRNDVNCT-UHFFFAOYSA-N 1 1 355.394 3.126 20 5 FGBDMO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCc2ccc(Cl)cc21 ZINC000593066564 506371221 /nfs/dbraw/zinc/37/12/21/506371221.db2.gz NTZYOOOKCUIHSR-ZDUSSCGKSA-N 1 1 361.829 3.072 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000494609886 503573414 /nfs/dbraw/zinc/57/34/14/503573414.db2.gz VBNBPJNZTDFNFA-INIZCTEOSA-N 1 1 373.409 3.153 20 5 FGBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000516709141 503574928 /nfs/dbraw/zinc/57/49/28/503574928.db2.gz HDIPQWMVAAWGFL-CRAIPNDOSA-N 1 1 368.437 3.230 20 5 FGBDMO O=[N+]([O-])c1cc(F)c(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(F)c1 ZINC000508978856 503612325 /nfs/dbraw/zinc/61/23/25/503612325.db2.gz RHHFHAQWORDNPA-KPZWWZAWSA-N 1 1 351.397 3.322 20 5 FGBDMO CC[C@H]1CCCC[N@H+]1CCNc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000500421544 503621174 /nfs/dbraw/zinc/62/11/74/503621174.db2.gz GYTVELMCHBVCFX-INIZCTEOSA-N 1 1 362.474 3.409 20 5 FGBDMO Cc1c(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000517195992 503668927 /nfs/dbraw/zinc/66/89/27/503668927.db2.gz XHRTXNLNSKBPTI-VQIMIIECSA-N 1 1 367.449 3.225 20 5 FGBDMO COc1ccc2c(c1)CCC[N@H+]([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000532950444 503672057 /nfs/dbraw/zinc/67/20/57/503672057.db2.gz JEGWMEYLRGQBLD-CQSZACIVSA-N 1 1 369.421 3.379 20 5 FGBDMO COc1ccc2c(c1)CCC[N@@H+]([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000532950444 503672064 /nfs/dbraw/zinc/67/20/64/503672064.db2.gz JEGWMEYLRGQBLD-CQSZACIVSA-N 1 1 369.421 3.379 20 5 FGBDMO Cc1ccc([C@@H]2CC[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000543248905 503699654 /nfs/dbraw/zinc/69/96/54/503699654.db2.gz HMZNKBIOSKZMOB-MSOLQXFVSA-N 1 1 356.422 3.132 20 5 FGBDMO COC(=O)CC[N@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000527304574 503759066 /nfs/dbraw/zinc/75/90/66/503759066.db2.gz ZKNIYITYVJTGCK-OTMARIDSSA-N 1 1 362.426 3.042 20 5 FGBDMO CCc1ccc([C@H]([NH2+]CCNC(=O)C(C)C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543422326 503762738 /nfs/dbraw/zinc/76/27/38/503762738.db2.gz FNLDMMBHTPTTIC-GOSISDBHSA-N 1 1 359.426 3.201 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000543449576 503774430 /nfs/dbraw/zinc/77/44/30/503774430.db2.gz JRVHGGSMQSUYPF-GASCZTMLSA-N 1 1 357.458 3.130 20 5 FGBDMO O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000543639029 503837457 /nfs/dbraw/zinc/83/74/57/503837457.db2.gz YHUWOOOYKBSYHL-CQSZACIVSA-N 1 1 358.373 3.130 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@H]2C2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000540811175 503901172 /nfs/dbraw/zinc/90/11/72/503901172.db2.gz KDMSWJPAUJRSIK-HNNXBMFYSA-N 1 1 350.415 3.003 20 5 FGBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CC[N@@H+](C)C[C@H]2C)cc1OC ZINC000543844812 503913120 /nfs/dbraw/zinc/91/31/20/503913120.db2.gz AVKJKGHYVCLNEM-HUUCEWRRSA-N 1 1 365.474 3.164 20 5 FGBDMO CC[N@@H+](CCC1CC1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000546936456 503932435 /nfs/dbraw/zinc/93/24/35/503932435.db2.gz ZKVSMQJBWNQZOJ-UHFFFAOYSA-N 1 1 370.247 3.418 20 5 FGBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000518281773 503943588 /nfs/dbraw/zinc/94/35/88/503943588.db2.gz HAVQWEKNQVHAPR-SUMWQHHRSA-N 1 1 357.385 3.299 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000541022027 503976905 /nfs/dbraw/zinc/97/69/05/503976905.db2.gz SKFCTCOQAYYUNN-AUUYWEPGSA-N 1 1 361.442 3.444 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000544070879 503996907 /nfs/dbraw/zinc/99/69/07/503996907.db2.gz NDZACOLHNISIAI-OALUTQOASA-N 1 1 370.449 3.432 20 5 FGBDMO CC[NH+](CC)CCCC1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000541163542 504027508 /nfs/dbraw/zinc/02/75/08/504027508.db2.gz AFDGAMPBKDJXBY-UHFFFAOYSA-N 1 1 363.458 3.275 20 5 FGBDMO COc1ccc2c(c1)CC[N@H+]([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)CC2 ZINC000534101958 504040411 /nfs/dbraw/zinc/04/04/11/504040411.db2.gz AUZOPSCBXHDDFJ-CQSZACIVSA-N 1 1 369.421 3.031 20 5 FGBDMO COc1ccc2c(c1)CC[N@@H+]([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)CC2 ZINC000534101958 504040413 /nfs/dbraw/zinc/04/04/13/504040413.db2.gz AUZOPSCBXHDDFJ-CQSZACIVSA-N 1 1 369.421 3.031 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](CCc1ccc(F)cc1)C1CCCC1 ZINC000534136835 504052009 /nfs/dbraw/zinc/05/20/09/504052009.db2.gz KLGGZYFFTSWRLM-UHFFFAOYSA-N 1 1 373.428 3.383 20 5 FGBDMO Cc1cc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000547449760 504109240 /nfs/dbraw/zinc/10/92/40/504109240.db2.gz FMNHJPPMJGCZOO-KRWDZBQOSA-N 1 1 354.410 3.299 20 5 FGBDMO Cc1cnc([C@H]([NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C2CC2)s1 ZINC000544421424 504127576 /nfs/dbraw/zinc/12/75/76/504127576.db2.gz NAJKNHNAPHZAIT-MRXNPFEDSA-N 1 1 360.439 3.348 20 5 FGBDMO C[N@H+]1CCCC12CCN(c1ccc(Br)cc1[N+](=O)[O-])CC2 ZINC000538191017 504156602 /nfs/dbraw/zinc/15/66/02/504156602.db2.gz MLERDHAHRXLLTM-UHFFFAOYSA-N 1 1 354.248 3.422 20 5 FGBDMO COc1ccc2c(c1)CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000534838761 504256026 /nfs/dbraw/zinc/25/60/26/504256026.db2.gz HLJGCRZRUBPFMU-UHFFFAOYSA-N 1 1 369.421 3.033 20 5 FGBDMO O=C(c1cc(O)cc([N+](=O)[O-])c1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000548125968 504340764 /nfs/dbraw/zinc/34/07/64/504340764.db2.gz QQMWZGCHPGWYDC-UHFFFAOYSA-N 1 1 355.394 3.043 20 5 FGBDMO C[N@@H+](CCCc1ccccc1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000535330832 504404735 /nfs/dbraw/zinc/40/47/35/504404735.db2.gz YPCSSGCJOSPJMZ-IBGZPJMESA-N 1 1 353.422 3.265 20 5 FGBDMO CC(C)(CO)[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000520292817 504456875 /nfs/dbraw/zinc/45/68/75/504456875.db2.gz JBQNKTIZNLWQGR-GOSISDBHSA-N 1 1 354.410 3.321 20 5 FGBDMO Cc1c(Br)c(N2CCC[N@H+](C(C)(C)C)CC2)ncc1[N+](=O)[O-] ZINC000542508869 504518601 /nfs/dbraw/zinc/51/86/01/504518601.db2.gz XHXUVGGPRXYVCY-UHFFFAOYSA-N 1 1 371.279 3.371 20 5 FGBDMO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000548744272 504549111 /nfs/dbraw/zinc/54/91/11/504549111.db2.gz DSMNMHGVCPGDJR-UHFFFAOYSA-N 1 1 350.394 3.216 20 5 FGBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000520759671 504576527 /nfs/dbraw/zinc/57/65/27/504576527.db2.gz DUZWVTLLDJIMBY-IYBDPMFKSA-N 1 1 362.474 3.166 20 5 FGBDMO CCCCOc1ccccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000545947575 504650813 /nfs/dbraw/zinc/65/08/13/504650813.db2.gz DZAVZRQHVOSIRJ-UHFFFAOYSA-N 1 1 370.453 3.491 20 5 FGBDMO CCC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 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/nfs/dbraw/zinc/85/93/56/504859356.db2.gz LOHSNQVFKQTJLB-SFHVURJKSA-N 1 1 350.415 3.015 20 5 FGBDMO COc1cc(N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000553687138 504983318 /nfs/dbraw/zinc/98/33/18/504983318.db2.gz PVDYKMSITWGDCX-HNNXBMFYSA-N 1 1 359.401 3.106 20 5 FGBDMO CCc1nc(CC[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)cs1 ZINC000556872556 505001322 /nfs/dbraw/zinc/00/13/22/505001322.db2.gz QEJVKOUVCJESCG-QGZVFWFLSA-N 1 1 371.466 3.269 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000556887494 505006498 /nfs/dbraw/zinc/00/64/98/505006498.db2.gz YDEHHXIGYXWYKX-SJLPKXTDSA-N 1 1 370.453 3.499 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000550445162 505045596 /nfs/dbraw/zinc/04/55/96/505045596.db2.gz PDMYQRJBJUHJPT-ZBFHGGJFSA-N 1 1 361.442 3.443 20 5 FGBDMO CN(CCC[N@@H+](C)Cc1ccco1)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000557752888 505221466 /nfs/dbraw/zinc/22/14/66/505221466.db2.gz LSPTYPJSERQSAR-UHFFFAOYSA-N 1 1 361.427 3.151 20 5 FGBDMO CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000566683140 505243236 /nfs/dbraw/zinc/24/32/36/505243236.db2.gz AOJFVBNEKRAWJD-UHFFFAOYSA-N 1 1 373.457 3.198 20 5 FGBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000558025159 505288694 /nfs/dbraw/zinc/28/86/94/505288694.db2.gz ISQSQYQTCZKPBA-YWPYICTPSA-N 1 1 351.834 3.051 20 5 FGBDMO C[N@H+]1CC[C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)[C@H]1c1ccccc1 ZINC000561258988 505295793 /nfs/dbraw/zinc/29/57/93/505295793.db2.gz LBAQXTSWJRJCNW-DZGCQCFKSA-N 1 1 355.423 3.457 20 5 FGBDMO CCC[N@@H+](C)[C@H](CNc1c([N+](=O)[O-])ncn1C)c1ccc(Cl)cc1 ZINC000561335979 505317852 /nfs/dbraw/zinc/31/78/52/505317852.db2.gz NQRIURUQKQEOOO-CQSZACIVSA-N 1 1 351.838 3.477 20 5 FGBDMO Cn1ccnc1[C@@H](NCC[N@H+]1CCCC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000552056738 505384387 /nfs/dbraw/zinc/38/43/87/505384387.db2.gz QEUSUMZTCLEZCS-SFHVURJKSA-N 1 1 371.485 3.129 20 5 FGBDMO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000555380570 505421738 /nfs/dbraw/zinc/42/17/38/505421738.db2.gz WTNRJYUWRBSHMH-ZDUSSCGKSA-N 1 1 350.415 3.244 20 5 FGBDMO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000555380570 505421741 /nfs/dbraw/zinc/42/17/41/505421741.db2.gz WTNRJYUWRBSHMH-ZDUSSCGKSA-N 1 1 350.415 3.244 20 5 FGBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCOC3(CCOCC3)CC2)c1 ZINC000555427086 505430553 /nfs/dbraw/zinc/43/05/53/505430553.db2.gz SVRVOBGFDPWLMP-UHFFFAOYSA-N 1 1 374.359 3.385 20 5 FGBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCOC3(CCOCC3)CC2)c1 ZINC000555427086 505430556 /nfs/dbraw/zinc/43/05/56/505430556.db2.gz SVRVOBGFDPWLMP-UHFFFAOYSA-N 1 1 374.359 3.385 20 5 FGBDMO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000558616488 505440646 /nfs/dbraw/zinc/44/06/46/505440646.db2.gz XIWABCNXBJDWDH-IBGZPJMESA-N 1 1 359.470 3.298 20 5 FGBDMO C[C@@H](C(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F 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QODRRFXYPDRHGP-INIZCTEOSA-N 1 1 355.442 3.043 20 5 FGBDMO C[C@@H]1[C@H](C)N(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@@H](C)C[N@H+]1C ZINC000593188322 506452315 /nfs/dbraw/zinc/45/23/15/506452315.db2.gz CRYXGMPJCITFAH-AXFHLTTASA-N 1 1 359.348 3.167 20 5 FGBDMO O=[N+]([O-])c1ccc(Cn2cc(C[NH2+][C@H]3CCc4ccccc43)nn2)c(F)c1 ZINC000603224921 506461088 /nfs/dbraw/zinc/46/10/88/506461088.db2.gz VHTQBWMQKCOWQL-IBGZPJMESA-N 1 1 367.384 3.151 20 5 FGBDMO CC(C)C[N@@H+](C)CCCNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000593204099 506462307 /nfs/dbraw/zinc/46/23/07/506462307.db2.gz TVIOKENYZYUIMK-UHFFFAOYSA-N 1 1 361.364 3.321 20 5 FGBDMO O=[N+]([O-])c1cnc(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)c(Br)c1 ZINC000596570017 506466201 /nfs/dbraw/zinc/46/62/01/506466201.db2.gz GWBTZWCHMOXDSB-LBPRGKRZSA-N 1 1 369.263 3.286 20 5 FGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000612174725 506472510 /nfs/dbraw/zinc/47/25/10/506472510.db2.gz NPZVUNWLOWSMKM-SCLBCKFNSA-N 1 1 373.384 3.214 20 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C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599584829 506511352 /nfs/dbraw/zinc/51/13/52/506511352.db2.gz CBBJIQSYQRUZGF-RHSMWYFYSA-N 1 1 364.442 3.273 20 5 FGBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000603458521 506519476 /nfs/dbraw/zinc/51/94/76/506519476.db2.gz OGSYXLHIEFCHBV-NVXWUHKLSA-N 1 1 374.485 3.045 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000599636785 506543351 /nfs/dbraw/zinc/54/33/51/506543351.db2.gz OJYCSPYGGWGLDY-ZYSHUDEJSA-N 1 1 367.449 3.426 20 5 FGBDMO CCC(O)(CC)C[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599673633 506570305 /nfs/dbraw/zinc/57/03/05/506570305.db2.gz RVZFNZGOJDOAAT-LLVKDONJSA-N 1 1 357.838 3.058 20 5 FGBDMO Cc1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)c(N2CCCC2)[nH+]1 ZINC000612616468 506653682 /nfs/dbraw/zinc/65/36/82/506653682.db2.gz BJXCBIDOOVJWBO-UHFFFAOYSA-N 1 1 373.388 3.359 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C[C@H]1C ZINC000599830944 506663412 /nfs/dbraw/zinc/66/34/12/506663412.db2.gz GGNWUBIAMIDRRO-KGLIPLIRSA-N 1 1 371.441 3.480 20 5 FGBDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000589909973 506678196 /nfs/dbraw/zinc/67/81/96/506678196.db2.gz QKZVULFBWLVOFY-KRWDZBQOSA-N 1 1 368.437 3.316 20 5 FGBDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000589909973 506678200 /nfs/dbraw/zinc/67/82/00/506678200.db2.gz QKZVULFBWLVOFY-KRWDZBQOSA-N 1 1 368.437 3.316 20 5 FGBDMO Cc1cc(NCc2c[nH+]c(N(C)C)n2C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000590135793 506747468 /nfs/dbraw/zinc/74/74/68/506747468.db2.gz SOTSAYLLMNZTGX-UHFFFAOYSA-N 1 1 357.336 3.334 20 5 FGBDMO O=C(C[N@H+]1CCC[C@@H]1c1ccc(O)cc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000604484259 506845463 /nfs/dbraw/zinc/84/54/63/506845463.db2.gz JZJUOIUFBAWCMR-GOSISDBHSA-N 1 1 367.405 3.027 20 5 FGBDMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc(O)cc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000604484259 506845465 /nfs/dbraw/zinc/84/54/65/506845465.db2.gz JZJUOIUFBAWCMR-GOSISDBHSA-N 1 1 367.405 3.027 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)c1 ZINC000600227709 506859578 /nfs/dbraw/zinc/85/95/78/506859578.db2.gz FCKBUHKDPBIATQ-AWEZNQCLSA-N 1 1 363.483 3.454 20 5 FGBDMO Cc1ccnc([C@H]2CC[N@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)c1 ZINC000594005792 506877542 /nfs/dbraw/zinc/87/75/42/506877542.db2.gz HKRZEDWAKNNBHC-HNNXBMFYSA-N 1 1 365.393 3.338 20 5 FGBDMO Cc1ccnc([C@H]2CC[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)c1 ZINC000594005792 506877547 /nfs/dbraw/zinc/87/75/47/506877547.db2.gz HKRZEDWAKNNBHC-HNNXBMFYSA-N 1 1 365.393 3.338 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](OC4CCC4)C3)o2)cc1 ZINC000594026924 506892026 /nfs/dbraw/zinc/89/20/26/506892026.db2.gz QFCQBJFBXFKGBF-MRXNPFEDSA-N 1 1 358.398 3.178 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@@H](OC4CCC4)C3)o2)cc1 ZINC000594026924 506892032 /nfs/dbraw/zinc/89/20/32/506892032.db2.gz QFCQBJFBXFKGBF-MRXNPFEDSA-N 1 1 358.398 3.178 20 5 FGBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000609489172 506897141 /nfs/dbraw/zinc/89/71/41/506897141.db2.gz AGHXWINNPHLHEA-UKRRQHHQSA-N 1 1 351.472 3.066 20 5 FGBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594056473 506910328 /nfs/dbraw/zinc/91/03/28/506910328.db2.gz DEDRUWKNRAWMAY-GJZGRUSLSA-N 1 1 352.822 3.387 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccncc1OC[C@H]1CCOC1 ZINC000583775384 506966408 /nfs/dbraw/zinc/96/64/08/506966408.db2.gz IXNXLNFIQYFSCW-HNNXBMFYSA-N 1 1 357.410 3.003 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCS[C@H](c3ccccc3)C2)c1 ZINC000609800757 507007474 /nfs/dbraw/zinc/00/74/74/507007474.db2.gz RQPZRDWEFNDFRJ-MJGOQNOKSA-N 1 1 374.462 3.125 20 5 FGBDMO O=C(Cn1cc[nH+]c1C1CC1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000600612653 507032293 /nfs/dbraw/zinc/03/22/93/507032293.db2.gz ANGOBPLKOUSKOF-UHFFFAOYSA-N 1 1 354.288 3.326 20 5 FGBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000600684055 507063486 /nfs/dbraw/zinc/06/34/86/507063486.db2.gz VUUXYMTXAPTIAJ-AWEZNQCLSA-N 1 1 350.394 3.262 20 5 FGBDMO COc1ccc(NC(=O)CC[N@@H+](Cc2ccc(C)o2)C2CC2)c([N+](=O)[O-])c1 ZINC000591011281 507077318 /nfs/dbraw/zinc/07/73/18/507077318.db2.gz UQBXIQGNVACEHK-UHFFFAOYSA-N 1 1 373.409 3.498 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000597861268 507139421 /nfs/dbraw/zinc/13/94/21/507139421.db2.gz SAFRYSPJQIECAA-NSHDSACASA-N 1 1 371.384 3.046 20 5 FGBDMO C[C@@H](Cc1ccccn1)[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000594513193 507163098 /nfs/dbraw/zinc/16/30/98/507163098.db2.gz BYWOIGDCWSRCFN-KSSFIOAISA-N 1 1 351.410 3.034 20 5 FGBDMO Cc1cnc(CC[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000594510884 507163374 /nfs/dbraw/zinc/16/33/74/507163374.db2.gz PJAXSOQPCWGZRB-LJQANCHMSA-N 1 1 365.437 3.262 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000597924393 507178618 /nfs/dbraw/zinc/17/86/18/507178618.db2.gz QOMGWBHTISFYSJ-CYBMUJFWSA-N 1 1 374.466 3.321 20 5 FGBDMO C[C@@](CO)([NH2+]Cc1cccc(OC2CC2)c1F)c1cccc([N+](=O)[O-])c1 ZINC000601149797 507277023 /nfs/dbraw/zinc/27/70/23/507277023.db2.gz PQNRXIZFSSFDGW-IBGZPJMESA-N 1 1 360.385 3.272 20 5 FGBDMO CCn1ccnc1[C@H]1OCCC[C@@H]1Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601148937 507278057 /nfs/dbraw/zinc/27/80/57/507278057.db2.gz BRZUMYZFEHLUFH-ROUUACIJSA-N 1 1 367.409 3.114 20 5 FGBDMO C[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H](O)C(F)(F)F ZINC000601151113 507278947 /nfs/dbraw/zinc/27/89/47/507278947.db2.gz PHNJCVMHAJAZHC-PELKAZGASA-N 1 1 361.345 3.120 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)NCC[NH+]2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000610593939 507310007 /nfs/dbraw/zinc/31/00/07/507310007.db2.gz RAOBFJCBPMTITP-HNNXBMFYSA-N 1 1 368.437 3.279 20 5 FGBDMO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000598221904 507325150 /nfs/dbraw/zinc/32/51/50/507325150.db2.gz YHUDSGINSZYFNZ-CYBMUJFWSA-N 1 1 351.834 3.385 20 5 FGBDMO CCNC(=O)c1cccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000595008678 507352643 /nfs/dbraw/zinc/35/26/43/507352643.db2.gz QTBUAWQUTYSVRS-CYBMUJFWSA-N 1 1 357.410 3.204 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000595011276 507354421 /nfs/dbraw/zinc/35/44/21/507354421.db2.gz LITJEVWTOIBXOF-OAHLLOKOSA-N 1 1 373.453 3.395 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](CC(=O)N(C)C)c1ccccc1 ZINC000595018107 507355752 /nfs/dbraw/zinc/35/57/52/507355752.db2.gz QCBDZLQMUZAYDO-KBXCAEBGSA-N 1 1 371.437 3.474 20 5 FGBDMO COc1cc(N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000610717198 507362744 /nfs/dbraw/zinc/36/27/44/507362744.db2.gz AIRXAGRGKUGGSY-OAHLLOKOSA-N 1 1 359.401 3.453 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000595052658 507369810 /nfs/dbraw/zinc/36/98/10/507369810.db2.gz ZTIPHFIIWDIDTM-SNVBAGLBSA-N 1 1 353.325 3.451 20 5 FGBDMO CC(C)CN(C)c1ccc([N+](=O)[O-])c(NC(=O)C[N@@H+](C)CC(C)C)c1 ZINC000610927462 507444920 /nfs/dbraw/zinc/44/49/20/507444920.db2.gz ILOTTWKRVOGISM-UHFFFAOYSA-N 1 1 350.463 3.213 20 5 FGBDMO Cc1noc(C[N@H+](CCc2ccc(C)cc2)C[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000595330336 507462130 /nfs/dbraw/zinc/46/21/30/507462130.db2.gz JKRJNRMNUBCYOJ-KRWDZBQOSA-N 1 1 359.426 3.423 20 5 FGBDMO Cc1noc(C[N@@H+](CCc2ccc(C)cc2)C[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000595330336 507462140 /nfs/dbraw/zinc/46/21/40/507462140.db2.gz JKRJNRMNUBCYOJ-KRWDZBQOSA-N 1 1 359.426 3.423 20 5 FGBDMO O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000598512974 507469418 /nfs/dbraw/zinc/46/94/18/507469418.db2.gz WNMWCSZUNBOSMI-SLFFLAALSA-N 1 1 365.433 3.089 20 5 FGBDMO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)n1 ZINC000595359240 507471176 /nfs/dbraw/zinc/47/11/76/507471176.db2.gz JAONPFUKXVOTKB-OAHLLOKOSA-N 1 1 372.400 3.288 20 5 FGBDMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)n1 ZINC000595359240 507471181 /nfs/dbraw/zinc/47/11/81/507471181.db2.gz JAONPFUKXVOTKB-OAHLLOKOSA-N 1 1 372.400 3.288 20 5 FGBDMO Cc1noc(C[N@H+]2CCC[C@@H](c3nc4cc(C)ccc4[nH]3)C2)c1[N+](=O)[O-] ZINC000595403704 507482442 /nfs/dbraw/zinc/48/24/42/507482442.db2.gz JFEFELOBIWXXRU-CYBMUJFWSA-N 1 1 355.398 3.456 20 5 FGBDMO Cc1noc(C[N@@H+]2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)c1[N+](=O)[O-] ZINC000595403704 507482459 /nfs/dbraw/zinc/48/24/59/507482459.db2.gz JFEFELOBIWXXRU-CYBMUJFWSA-N 1 1 355.398 3.456 20 5 FGBDMO Cc1noc(C[N@H+]2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)c1[N+](=O)[O-] ZINC000595403704 507482468 /nfs/dbraw/zinc/48/24/68/507482468.db2.gz JFEFELOBIWXXRU-CYBMUJFWSA-N 1 1 355.398 3.456 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000598558063 507485050 /nfs/dbraw/zinc/48/50/50/507485050.db2.gz BXZDNAKCFXJWEV-CQSZACIVSA-N 1 1 363.483 3.169 20 5 FGBDMO C[C@H](C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000598558835 507486050 /nfs/dbraw/zinc/48/60/50/507486050.db2.gz DYUHUAIYXVJJPS-DZGCQCFKSA-N 1 1 363.433 3.076 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000598561305 507487487 /nfs/dbraw/zinc/48/74/87/507487487.db2.gz PQAUKGHHJCRCRS-RBUKOAKNSA-N 1 1 373.497 3.402 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@H](Oc4ccccc4)C3)n2)c1 ZINC000592136239 507501047 /nfs/dbraw/zinc/50/10/47/507501047.db2.gz OTYPKOMZJDNFAI-KRWDZBQOSA-N 1 1 366.377 3.298 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@H](Oc4ccccc4)C3)n2)c1 ZINC000592136239 507501055 /nfs/dbraw/zinc/50/10/55/507501055.db2.gz OTYPKOMZJDNFAI-KRWDZBQOSA-N 1 1 366.377 3.298 20 5 FGBDMO CN1CCC([N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C2)CC1 ZINC000611132457 507528248 /nfs/dbraw/zinc/52/82/48/507528248.db2.gz IDIIQVIRKPBYHG-CYBMUJFWSA-N 1 1 372.391 3.194 20 5 FGBDMO C[NH+]1CCC(N2CC[C@@H](Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C2)CC1 ZINC000611132457 507528252 /nfs/dbraw/zinc/52/82/52/507528252.db2.gz IDIIQVIRKPBYHG-CYBMUJFWSA-N 1 1 372.391 3.194 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000611185431 507551931 /nfs/dbraw/zinc/55/19/31/507551931.db2.gz VGECEDFTBPAMDH-MRXNPFEDSA-N 1 1 366.421 3.117 20 5 FGBDMO Cc1c(CNC(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000595589075 507578095 /nfs/dbraw/zinc/57/80/95/507578095.db2.gz ZPFSWWWKZFACBB-MRXNPFEDSA-N 1 1 360.458 3.109 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[NH+](C[C@H]4CCCO4)CC3)o2)cc1 ZINC000611252726 507581616 /nfs/dbraw/zinc/58/16/16/507581616.db2.gz BBJPIQCGASLTGS-GOSISDBHSA-N 1 1 371.437 3.151 20 5 FGBDMO CC[N@H+](CC(=O)N(C)C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000611254535 507584340 /nfs/dbraw/zinc/58/43/40/507584340.db2.gz DPDSTOITKJGHMR-UHFFFAOYSA-N 1 1 365.817 3.418 20 5 FGBDMO CC[N@@H+](CC(=O)N(C)C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000611254535 507584347 /nfs/dbraw/zinc/58/43/47/507584347.db2.gz DPDSTOITKJGHMR-UHFFFAOYSA-N 1 1 365.817 3.418 20 5 FGBDMO COc1ccc(C[N@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1C ZINC000611267313 507592415 /nfs/dbraw/zinc/59/24/15/507592415.db2.gz AUNVXKYVZZXXQX-UHFFFAOYSA-N 1 1 358.394 3.315 20 5 FGBDMO COc1ccc(C[N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1C ZINC000611267313 507592422 /nfs/dbraw/zinc/59/24/22/507592422.db2.gz AUNVXKYVZZXXQX-UHFFFAOYSA-N 1 1 358.394 3.315 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+](C[C@H]1CCCO1)C1CCCC1)OCCO2 ZINC000611274145 507598071 /nfs/dbraw/zinc/59/80/71/507598071.db2.gz VXWKQOIQNAQUEO-MRXNPFEDSA-N 1 1 362.426 3.290 20 5 FGBDMO COC(=O)[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]2CCCC[C@H]12 ZINC000595734583 507655242 /nfs/dbraw/zinc/65/52/42/507655242.db2.gz UGFGLTRMQICEJG-CKEIUWERSA-N 1 1 372.425 3.025 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]2CCCC[C@H]12 ZINC000595734583 507655249 /nfs/dbraw/zinc/65/52/49/507655249.db2.gz UGFGLTRMQICEJG-CKEIUWERSA-N 1 1 372.425 3.025 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595788318 507685527 /nfs/dbraw/zinc/68/55/27/507685527.db2.gz IYMLSFDABFUSQQ-CRAIPNDOSA-N 1 1 361.442 3.123 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595788318 507685535 /nfs/dbraw/zinc/68/55/35/507685535.db2.gz IYMLSFDABFUSQQ-CRAIPNDOSA-N 1 1 361.442 3.123 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c1 ZINC000595789696 507686567 /nfs/dbraw/zinc/68/65/67/507686567.db2.gz SLSCMYNWBJQYCX-QAPCUYQASA-N 1 1 362.426 3.163 20 5 FGBDMO O=C(CC[N@H+]1CC[C@@H](Oc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000595830161 507705236 /nfs/dbraw/zinc/70/52/36/507705236.db2.gz CPTNCAXPXHFNSL-MRXNPFEDSA-N 1 1 355.394 3.077 20 5 FGBDMO CCOCCO[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602483415 507722825 /nfs/dbraw/zinc/72/28/25/507722825.db2.gz GYGLPLLJDJJMPJ-AWEZNQCLSA-N 1 1 362.348 3.241 20 5 FGBDMO CCOCCO[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602483415 507722831 /nfs/dbraw/zinc/72/28/31/507722831.db2.gz GYGLPLLJDJJMPJ-AWEZNQCLSA-N 1 1 362.348 3.241 20 5 FGBDMO C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCc2ccccc21 ZINC000595881443 507726322 /nfs/dbraw/zinc/72/63/22/507726322.db2.gz RSMJZLASDKNVPC-MRXNPFEDSA-N 1 1 374.462 3.030 20 5 FGBDMO C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCc2ccccc21 ZINC000595881443 507726328 /nfs/dbraw/zinc/72/63/28/507726328.db2.gz RSMJZLASDKNVPC-MRXNPFEDSA-N 1 1 374.462 3.030 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2cc(N)c([N+](=O)[O-])c(CO)c2)cc1 ZINC000587993219 507727391 /nfs/dbraw/zinc/72/73/91/507727391.db2.gz VEXKNOZTTPODGP-GFCCVEGCSA-N 1 1 367.409 3.337 20 5 FGBDMO [NH3+][C@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F ZINC000595934960 507749546 /nfs/dbraw/zinc/74/95/46/507749546.db2.gz HGDKPAVXRMDWMR-KRWDZBQOSA-N 1 1 363.364 3.012 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826498104 608461000 /nfs/dbraw/zinc/46/10/00/608461000.db2.gz HRAXNBJHYHGRDQ-UHFFFAOYSA-N 1 1 362.393 3.064 20 5 FGBDMO Cc1[nH+]ccn1CCCC(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000101632244 700469491 /nfs/dbraw/zinc/46/94/91/700469491.db2.gz MKTOUIDBJCIZCA-UHFFFAOYSA-N 1 1 350.806 3.192 20 5 FGBDMO C[C@@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000110356916 700540783 /nfs/dbraw/zinc/54/07/83/700540783.db2.gz IUYAOZFMWSXJDL-ZDUSSCGKSA-N 1 1 361.829 3.499 20 5 FGBDMO O=[N+]([O-])c1ccc(Cl)cc1OC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000154616531 705041663 /nfs/dbraw/zinc/04/16/63/705041663.db2.gz XNTXREDMWLLXDV-INIZCTEOSA-N 1 1 362.813 3.046 20 5 FGBDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000173488131 705461198 /nfs/dbraw/zinc/46/11/98/705461198.db2.gz FBAVXJHLFHXSQK-GDBMZVCRSA-N 1 1 361.471 3.417 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000524880612 714307974 /nfs/dbraw/zinc/30/79/74/714307974.db2.gz COLWAEQECJUWCY-DZGCQCFKSA-N 1 1 351.472 3.018 20 5 FGBDMO Nc1ccc(NC[C@H]2CSCC[N@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000804649846 724536796 /nfs/dbraw/zinc/53/67/96/724536796.db2.gz PGVIWUIAHFGGFA-INIZCTEOSA-N 1 1 358.467 3.207 20 5 FGBDMO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164626456 719055315 /nfs/dbraw/zinc/05/53/15/719055315.db2.gz RJKKXEHZPJVIQD-HKUYNNGSSA-N 1 1 352.438 3.399 20 5 FGBDMO C[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000783014144 724716211 /nfs/dbraw/zinc/71/62/11/724716211.db2.gz UGOYMNIZDBZVKA-VHSXEESVSA-N 1 1 366.780 3.460 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001164774316 721284356 /nfs/dbraw/zinc/28/43/56/721284356.db2.gz ZBUGDOJRDJGBSR-UHFFFAOYSA-N 1 1 357.241 3.219 20 5 FGBDMO Cc1ncc([N+](=O)[O-])c(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164993623 722198663 /nfs/dbraw/zinc/19/86/63/722198663.db2.gz FTIXXMIVUYEWRP-IBGZPJMESA-N 1 1 371.416 3.077 20 5 FGBDMO CC(C)OCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000727438377 722444309 /nfs/dbraw/zinc/44/43/09/722444309.db2.gz ULYUWYJTHHSDQB-UHFFFAOYSA-N 1 1 361.364 3.161 20 5 FGBDMO C[C@@H]1C[NH+](CCCNc2nc3ccc([N+](=O)[O-])cc3s2)C[C@@H](C)O1 ZINC000729630411 722461088 /nfs/dbraw/zinc/46/10/88/722461088.db2.gz KBXCVTBRUWZOGF-VXGBXAGGSA-N 1 1 350.444 3.116 20 5 FGBDMO O=[N+]([O-])c1ccc2oc(=S)n(C[N@@H+]3CCC[C@@H](n4ccnc4)C3)c2c1 ZINC000738158577 722528880 /nfs/dbraw/zinc/52/88/80/722528880.db2.gz MQZLBNTVCVKKRG-CYBMUJFWSA-N 1 1 359.411 3.363 20 5 FGBDMO O=[N+]([O-])c1ccc2oc(=S)n(C[N@H+]3CCC[C@@H](n4ccnc4)C3)c2c1 ZINC000738158577 722528881 /nfs/dbraw/zinc/52/88/81/722528881.db2.gz MQZLBNTVCVKKRG-CYBMUJFWSA-N 1 1 359.411 3.363 20 5 FGBDMO O=C(C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])Nc1ccc(F)c(F)c1 ZINC000740001079 722534677 /nfs/dbraw/zinc/53/46/77/722534677.db2.gz FNNHXRHCYRKYIE-UHFFFAOYSA-N 1 1 355.728 3.255 20 5 FGBDMO Cc1[nH+]ccn1CCCC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000741956804 722550869 /nfs/dbraw/zinc/55/08/69/722550869.db2.gz IAEVORHLWSKYEK-KRWDZBQOSA-N 1 1 360.439 3.154 20 5 FGBDMO CCS[C@H]1CC[C@H]([N@H+](C)Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000743401366 722566986 /nfs/dbraw/zinc/56/69/86/722566986.db2.gz YRPXYVRHODHYMH-UWVGGRQHSA-N 1 1 363.281 3.117 20 5 FGBDMO CCS[C@H]1CC[C@H]([N@@H+](C)Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000743401366 722566987 /nfs/dbraw/zinc/56/69/87/722566987.db2.gz YRPXYVRHODHYMH-UWVGGRQHSA-N 1 1 363.281 3.117 20 5 FGBDMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000743399435 722566989 /nfs/dbraw/zinc/56/69/89/722566989.db2.gz LMBJSICGBHDRSO-LSDHHAIUSA-N 1 1 361.471 3.417 20 5 FGBDMO CC[N@H+](CCc1cccs1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000746070611 722592995 /nfs/dbraw/zinc/59/29/95/722592995.db2.gz RGGDKKMAVOJOQV-UHFFFAOYSA-N 1 1 359.249 3.137 20 5 FGBDMO CC[N@@H+](CCc1cccs1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000746070611 722592996 /nfs/dbraw/zinc/59/29/96/722592996.db2.gz RGGDKKMAVOJOQV-UHFFFAOYSA-N 1 1 359.249 3.137 20 5 FGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2ccccc2Cn2cncn2)c1 ZINC000748815417 722705810 /nfs/dbraw/zinc/70/58/10/722705810.db2.gz GXJFEIDPYQQXFB-UHFFFAOYSA-N 1 1 357.801 3.178 20 5 FGBDMO C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000752083231 722844511 /nfs/dbraw/zinc/84/45/11/722844511.db2.gz GXDXGBUMJQGDAQ-NWDGAFQWSA-N 1 1 355.460 3.391 20 5 FGBDMO C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000752083231 722844513 /nfs/dbraw/zinc/84/45/13/722844513.db2.gz GXDXGBUMJQGDAQ-NWDGAFQWSA-N 1 1 355.460 3.391 20 5 FGBDMO CC(C)n1cc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000754808087 722946115 /nfs/dbraw/zinc/94/61/15/722946115.db2.gz YHNGNWUVLURZOH-LLVKDONJSA-N 1 1 365.821 3.315 20 5 FGBDMO CC[N@@H+](CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-])CCC(F)(F)F ZINC000757616895 722977546 /nfs/dbraw/zinc/97/75/46/722977546.db2.gz GDUQEQROKWWGOM-UHFFFAOYSA-N 1 1 367.755 3.252 20 5 FGBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)OC)C1 ZINC000757704518 722978677 /nfs/dbraw/zinc/97/86/77/722978677.db2.gz LXPSYLAPLCEITK-LBPRGKRZSA-N 1 1 369.849 3.203 20 5 FGBDMO C[N@H+]1CCCC[C@H]1CCOC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000762987719 723301348 /nfs/dbraw/zinc/30/13/48/723301348.db2.gz GDPWWUJAESLAFQ-ZDUSSCGKSA-N 1 1 352.406 3.429 20 5 FGBDMO CC[N@H+](CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O)C1CCC1 ZINC000795425746 723590388 /nfs/dbraw/zinc/59/03/88/723590388.db2.gz BPFISGCSUWMQRJ-UHFFFAOYSA-N 1 1 368.231 3.145 20 5 FGBDMO CC[N@@H+](CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O)C1CCC1 ZINC000795425746 723590389 /nfs/dbraw/zinc/59/03/89/723590389.db2.gz BPFISGCSUWMQRJ-UHFFFAOYSA-N 1 1 368.231 3.145 20 5 FGBDMO C[C@@H]1C[C@@H](C)[N@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000795433654 723591054 /nfs/dbraw/zinc/59/10/54/723591054.db2.gz SIDLTTUCKZNVJZ-NXEZZACHSA-N 1 1 368.231 3.001 20 5 FGBDMO C[C@@H]1C[C@@H](C)[N@@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000795433654 723591056 /nfs/dbraw/zinc/59/10/56/723591056.db2.gz SIDLTTUCKZNVJZ-NXEZZACHSA-N 1 1 368.231 3.001 20 5 FGBDMO C[C@H]1C[C@H](C)[N@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000795433657 723591091 /nfs/dbraw/zinc/59/10/91/723591091.db2.gz SIDLTTUCKZNVJZ-UWVGGRQHSA-N 1 1 368.231 3.001 20 5 FGBDMO C[C@H]1C[C@H](C)[N@@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000795433657 723591092 /nfs/dbraw/zinc/59/10/92/723591092.db2.gz SIDLTTUCKZNVJZ-UWVGGRQHSA-N 1 1 368.231 3.001 20 5 FGBDMO COC(=O)CC1CC[NH+](Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000769037538 723675274 /nfs/dbraw/zinc/67/52/74/723675274.db2.gz NZFMAIPHKZICAC-UHFFFAOYSA-N 1 1 371.231 3.132 20 5 FGBDMO CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000769390195 723684103 /nfs/dbraw/zinc/68/41/03/723684103.db2.gz WDWDVJYLJPLYNN-HUUCEWRRSA-N 1 1 357.248 3.483 20 5 FGBDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000769390195 723684105 /nfs/dbraw/zinc/68/41/05/723684105.db2.gz WDWDVJYLJPLYNN-HUUCEWRRSA-N 1 1 357.248 3.483 20 5 FGBDMO COC(=O)[C@]1(F)CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000769565343 723689999 /nfs/dbraw/zinc/68/99/99/723689999.db2.gz MIJWNTZKSKUJSU-KRWDZBQOSA-N 1 1 364.398 3.410 20 5 FGBDMO COC(=O)[C@]1(F)CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000769565343 723690000 /nfs/dbraw/zinc/69/00/00/723690000.db2.gz MIJWNTZKSKUJSU-KRWDZBQOSA-N 1 1 364.398 3.410 20 5 FGBDMO CN1CC[NH+](CCC(C)(C)Nc2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000770226586 723709151 /nfs/dbraw/zinc/70/91/51/723709151.db2.gz DEBWSCQXMVQVFC-UHFFFAOYSA-N 1 1 363.487 3.033 20 5 FGBDMO O=C(C[N@H+]1CCC[C@@H]1C1CCOCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000777739394 724254203 /nfs/dbraw/zinc/25/42/03/724254203.db2.gz HHVJYMCBGXLMRG-OAHLLOKOSA-N 1 1 367.833 3.078 20 5 FGBDMO CCOCCC[N@H+]1CC[C@@H](NCc2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000787301681 725023938 /nfs/dbraw/zinc/02/39/38/725023938.db2.gz CNHJGEGKTMBQON-RHSMWYFYSA-N 1 1 369.893 3.475 20 5 FGBDMO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)s1 ZINC000787426686 725028146 /nfs/dbraw/zinc/02/81/46/725028146.db2.gz QBOMAVYLVPKFQP-UHFFFAOYSA-N 1 1 360.844 3.003 20 5 FGBDMO Cc1ccc(N[C@H]2CCc3[nH+]c[nH]c3C2)c([N+](=O)[O-])c1Br ZINC000811857289 725383165 /nfs/dbraw/zinc/38/31/65/725383165.db2.gz BHURMGFUXZHQJS-VIFPVBQESA-N 1 1 351.204 3.358 20 5 FGBDMO Cc1ccc(N[C@H]2CCc3[nH]c[nH+]c3C2)c([N+](=O)[O-])c1Br ZINC000811857289 725383167 /nfs/dbraw/zinc/38/31/67/725383167.db2.gz BHURMGFUXZHQJS-VIFPVBQESA-N 1 1 351.204 3.358 20 5 FGBDMO Cc1nn(C[N@H+](C)CCc2cccc(Br)c2)c(C)c1[N+](=O)[O-] ZINC000812301748 725393269 /nfs/dbraw/zinc/39/32/69/725393269.db2.gz LPZZLRYQNKBFKG-UHFFFAOYSA-N 1 1 367.247 3.303 20 5 FGBDMO Cc1nn(C[N@@H+](C)CCc2cccc(Br)c2)c(C)c1[N+](=O)[O-] ZINC000812301748 725393270 /nfs/dbraw/zinc/39/32/70/725393270.db2.gz LPZZLRYQNKBFKG-UHFFFAOYSA-N 1 1 367.247 3.303 20 5 FGBDMO O=[N+]([O-])c1ccc(Cl)cc1CNc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000812778688 726809705 /nfs/dbraw/zinc/80/97/05/726809705.db2.gz NCMUPMNFGIBQOT-QGZVFWFLSA-N 1 1 361.829 3.427 20 5 FGBDMO C[N@H+](Cc1csc([N+](=O)[O-])c1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000812835476 726817078 /nfs/dbraw/zinc/81/70/78/726817078.db2.gz RMILRIPNEKOJJQ-ZDUSSCGKSA-N 1 1 355.460 3.391 20 5 FGBDMO C[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000812835476 726817082 /nfs/dbraw/zinc/81/70/82/726817082.db2.gz RMILRIPNEKOJJQ-ZDUSSCGKSA-N 1 1 355.460 3.391 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000813243621 726854073 /nfs/dbraw/zinc/85/40/73/726854073.db2.gz ZLBAUYREKLFTTO-QGZVFWFLSA-N 1 1 353.394 3.145 20 5 FGBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC[C@H]21 ZINC000813486919 726884524 /nfs/dbraw/zinc/88/45/24/726884524.db2.gz CWSFJBBOJLWHGX-QMTHXVAHSA-N 1 1 372.252 3.458 20 5 FGBDMO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1Cl ZINC000816851917 727200822 /nfs/dbraw/zinc/20/08/22/727200822.db2.gz GBAHKSMCKSDFOX-UHFFFAOYSA-N 1 1 359.813 3.036 20 5 FGBDMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1Cl ZINC000816851917 727200825 /nfs/dbraw/zinc/20/08/25/727200825.db2.gz GBAHKSMCKSDFOX-UHFFFAOYSA-N 1 1 359.813 3.036 20 5 FGBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000817297491 727238081 /nfs/dbraw/zinc/23/80/81/727238081.db2.gz RLKIKNXVSOCNOL-QWHCGFSZSA-N 1 1 369.849 3.060 20 5 FGBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@@H](CCO)CC1 ZINC000817297491 727238085 /nfs/dbraw/zinc/23/80/85/727238085.db2.gz RLKIKNXVSOCNOL-QWHCGFSZSA-N 1 1 369.849 3.060 20 5 FGBDMO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CC(NC(=O)OC(C)(C)C)C1 ZINC000831231894 729627043 /nfs/dbraw/zinc/62/70/43/729627043.db2.gz CZANRGDSJFNZSN-UHFFFAOYSA-N 1 1 353.394 3.221 20 5 FGBDMO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CC(NC(=O)OC(C)(C)C)C1 ZINC000831231894 729627045 /nfs/dbraw/zinc/62/70/45/729627045.db2.gz CZANRGDSJFNZSN-UHFFFAOYSA-N 1 1 353.394 3.221 20 5 FGBDMO COC(=O)[C@@]1(C)CCC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000840974834 730199948 /nfs/dbraw/zinc/19/99/48/730199948.db2.gz IOFLVYHPDDRIJL-HNNXBMFYSA-N 1 1 371.231 3.132 20 5 FGBDMO COC(=O)[C@@]1(C)CCC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000840974834 730199950 /nfs/dbraw/zinc/19/99/50/730199950.db2.gz IOFLVYHPDDRIJL-HNNXBMFYSA-N 1 1 371.231 3.132 20 5 FGBDMO CCCC[N@@H+](Cn1nc(C)c([N+](=O)[O-])c1C)[C@H]1CCc2ncsc2C1 ZINC000842646032 730524295 /nfs/dbraw/zinc/52/42/95/730524295.db2.gz FARJJDKASFWSFY-AWEZNQCLSA-N 1 1 363.487 3.482 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@]3(CC3(F)F)C2)cccc1[N+](=O)[O-] ZINC000844438480 730718479 /nfs/dbraw/zinc/71/84/79/730718479.db2.gz QVWBBUXPQXDOLW-MLGOLLRUSA-N 1 1 353.369 3.351 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@]3(CC3(F)F)C2)cccc1[N+](=O)[O-] ZINC000844438480 730718484 /nfs/dbraw/zinc/71/84/84/730718484.db2.gz QVWBBUXPQXDOLW-MLGOLLRUSA-N 1 1 353.369 3.351 20 5 FGBDMO Cc1noc(C[N@H+](CC(C)C)C[C@@H](O)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000851783854 731497619 /nfs/dbraw/zinc/49/76/19/731497619.db2.gz QBFIIGAAPGZTAH-OAHLLOKOSA-N 1 1 351.378 3.222 20 5 FGBDMO Cc1noc(C[N@@H+](CC(C)C)C[C@@H](O)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000851783854 731497622 /nfs/dbraw/zinc/49/76/22/731497622.db2.gz QBFIIGAAPGZTAH-OAHLLOKOSA-N 1 1 351.378 3.222 20 5 FGBDMO C[C@H](C[N@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)c1nccs1 ZINC000853506120 731714678 /nfs/dbraw/zinc/71/46/78/731714678.db2.gz GQAULNSJFZRQMT-GFCCVEGCSA-N 1 1 358.427 3.003 20 5 FGBDMO C[C@H](C[N@@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)c1nccs1 ZINC000853506120 731714683 /nfs/dbraw/zinc/71/46/83/731714683.db2.gz GQAULNSJFZRQMT-GFCCVEGCSA-N 1 1 358.427 3.003 20 5 FGBDMO C[C@@H]([NH2+][C@H](C)c1ccns1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000860055480 732442670 /nfs/dbraw/zinc/44/26/70/732442670.db2.gz ZNXFQLTUDCTJDB-RKDXNWHRSA-N 1 1 354.819 3.383 20 5 FGBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000861069850 732618811 /nfs/dbraw/zinc/61/88/11/732618811.db2.gz XZAZYXUVYVCYNT-LBPRGKRZSA-N 1 1 352.822 3.387 20 5 FGBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000862630373 732858568 /nfs/dbraw/zinc/85/85/68/732858568.db2.gz XFDMKTMQNKMKBE-ZDUSSCGKSA-N 1 1 351.834 3.385 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000874834935 735937216 /nfs/dbraw/zinc/93/72/16/735937216.db2.gz VXNUYMDVAZLOHY-CVEARBPZSA-N 1 1 363.483 3.404 20 5 FGBDMO CCO[C@H]1CCC[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878118949 736775348 /nfs/dbraw/zinc/77/53/48/736775348.db2.gz WMRGPAZKRRGDSZ-LBPRGKRZSA-N 1 1 366.805 3.299 20 5 FGBDMO CCO[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878118949 736775354 /nfs/dbraw/zinc/77/53/54/736775354.db2.gz WMRGPAZKRRGDSZ-LBPRGKRZSA-N 1 1 366.805 3.299 20 5 FGBDMO CO[C@]1(C)CCC[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878533128 736870983 /nfs/dbraw/zinc/87/09/83/736870983.db2.gz LHPAGWDODOZEKS-MRXNPFEDSA-N 1 1 366.805 3.299 20 5 FGBDMO CO[C@]1(C)CCC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878533128 736870987 /nfs/dbraw/zinc/87/09/87/736870987.db2.gz LHPAGWDODOZEKS-MRXNPFEDSA-N 1 1 366.805 3.299 20 5 FGBDMO CO[C@H]1CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)[C@H](C)C1 ZINC000878554705 736886678 /nfs/dbraw/zinc/88/66/78/736886678.db2.gz HVFNCASMYHMPAU-PWSUYJOCSA-N 1 1 366.805 3.298 20 5 FGBDMO CO[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)[C@H](C)C1 ZINC000878554705 736886679 /nfs/dbraw/zinc/88/66/79/736886679.db2.gz HVFNCASMYHMPAU-PWSUYJOCSA-N 1 1 366.805 3.298 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@@H](c4nccs4)C3)o2)cc1 ZINC000880314534 737151743 /nfs/dbraw/zinc/15/17/43/737151743.db2.gz CFMUOAULKJOYMZ-GFCCVEGCSA-N 1 1 357.395 3.091 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@@H](c4nccs4)C3)o2)cc1 ZINC000880314534 737151749 /nfs/dbraw/zinc/15/17/49/737151749.db2.gz CFMUOAULKJOYMZ-GFCCVEGCSA-N 1 1 357.395 3.091 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](c2nccs2)C1 ZINC000880319485 737154335 /nfs/dbraw/zinc/15/43/35/737154335.db2.gz XEZLHHHZTBMIDC-ZDUSSCGKSA-N 1 1 360.439 3.178 20 5 FGBDMO Cn1nc2c(c1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)CSCC2 ZINC000883038003 737514579 /nfs/dbraw/zinc/51/45/79/737514579.db2.gz SRDOUEJWJKHBNB-UHFFFAOYSA-N 1 1 352.847 3.061 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)ccc1CNC1CC[NH+](Cc2ccncc2)CC1 ZINC000892618857 740023821 /nfs/dbraw/zinc/02/38/21/740023821.db2.gz OQMRKBUZIPGWKU-UHFFFAOYSA-N 1 1 360.845 3.397 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C[C@H]1C ZINC000900802472 743170719 /nfs/dbraw/zinc/17/07/19/743170719.db2.gz VDAXOHGINNYGNQ-ZYHUDNBSSA-N 1 1 357.813 3.332 20 5 FGBDMO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1ncc(Br)cn1 ZINC000903323348 743837567 /nfs/dbraw/zinc/83/75/67/743837567.db2.gz KAQRSLUCUUMXOB-SECBINFHSA-N 1 1 369.194 3.007 20 5 FGBDMO C[N@H+]1CCCC12CCN(C(=O)CCc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000907205010 744193859 /nfs/dbraw/zinc/19/38/59/744193859.db2.gz AUFKTPWXPDCNMX-UHFFFAOYSA-N 1 1 365.861 3.268 20 5 FGBDMO C[N@H+](CCCn1ccnc1)Cc1cc([N+](=O)[O-])ccc1Br ZINC000930124794 760533550 /nfs/dbraw/zinc/53/35/50/760533550.db2.gz KCWXAJHFSWMMDB-UHFFFAOYSA-N 1 1 353.220 3.076 20 5 FGBDMO C[N@@H+](CCCn1ccnc1)Cc1cc([N+](=O)[O-])ccc1Br ZINC000930124794 760533557 /nfs/dbraw/zinc/53/35/57/760533557.db2.gz KCWXAJHFSWMMDB-UHFFFAOYSA-N 1 1 353.220 3.076 20 5 FGBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000930944360 760738291 /nfs/dbraw/zinc/73/82/91/760738291.db2.gz DHYYQOKQUHGOAB-CYBMUJFWSA-N 1 1 353.850 3.027 20 5 FGBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000934950850 761756873 /nfs/dbraw/zinc/75/68/73/761756873.db2.gz MQLMYYOAPMMRJW-CZUORRHYSA-N 1 1 365.861 3.124 20 5 FGBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000934950851 761756968 /nfs/dbraw/zinc/75/69/68/761756968.db2.gz MQLMYYOAPMMRJW-XJKSGUPXSA-N 1 1 365.861 3.124 20 5 FGBDMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000054205539 205198853 /nfs/dbraw/zinc/19/88/53/205198853.db2.gz OXUZRHSHVWOVHJ-QGZVFWFLSA-N 1 1 368.437 3.191 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CC(C)(C)[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000573588959 505573013 /nfs/dbraw/zinc/57/30/13/505573013.db2.gz SOAYOGUASWCRJP-CABCVRRESA-N 1 1 362.426 3.157 20 5 FGBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCC[N@H+](C(C)(C)C)CC1 ZINC000579915893 505644840 /nfs/dbraw/zinc/64/48/40/505644840.db2.gz GUJCRUUJAGKFCN-UHFFFAOYSA-N 1 1 358.442 3.462 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1c1cccn1C ZINC000068370419 493805894 /nfs/dbraw/zinc/80/58/94/493805894.db2.gz DCVBUSZJPBGZHE-QGZVFWFLSA-N 1 1 372.425 3.108 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000081127571 493838034 /nfs/dbraw/zinc/83/80/34/493838034.db2.gz LSHDSKNQBJYCRJ-MRXNPFEDSA-N 1 1 357.385 3.080 20 5 FGBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000076394405 493883443 /nfs/dbraw/zinc/88/34/43/493883443.db2.gz JDIGPYCYKJKKJJ-ZDUSSCGKSA-N 1 1 355.373 3.156 20 5 FGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000076394405 493883445 /nfs/dbraw/zinc/88/34/45/493883445.db2.gz JDIGPYCYKJKKJJ-ZDUSSCGKSA-N 1 1 355.373 3.156 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@H+](C)CC12CCCCC2 ZINC000081598052 493926845 /nfs/dbraw/zinc/92/68/45/493926845.db2.gz KOVWCLVQNMRHFC-UHFFFAOYSA-N 1 1 374.485 3.182 20 5 FGBDMO Cc1ccc(C(=O)NC2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000051098251 493948529 /nfs/dbraw/zinc/94/85/29/493948529.db2.gz LLLJPFZPJWHVPC-UHFFFAOYSA-N 1 1 359.451 3.359 20 5 FGBDMO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)Nc1c(F)cccc1F ZINC000051347661 493963739 /nfs/dbraw/zinc/96/37/39/493963739.db2.gz RPARQEMCMLNAHV-UHFFFAOYSA-N 1 1 363.364 3.376 20 5 FGBDMO CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)Nc1c(F)cccc1F ZINC000051347661 493963741 /nfs/dbraw/zinc/96/37/41/493963741.db2.gz RPARQEMCMLNAHV-UHFFFAOYSA-N 1 1 363.364 3.376 20 5 FGBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000062229696 494006485 /nfs/dbraw/zinc/00/64/85/494006485.db2.gz HABKHEWWFYMTCO-MRXNPFEDSA-N 1 1 371.412 3.376 20 5 FGBDMO C[C@@H]1CN(Cc2ccccc2C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000069833331 494020820 /nfs/dbraw/zinc/02/08/20/494020820.db2.gz HOEQPDLXNYEZDT-CALCHBBNSA-N 1 1 369.465 3.494 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000077524088 494104231 /nfs/dbraw/zinc/10/42/31/494104231.db2.gz XISOZFYPFZVJHZ-HNNXBMFYSA-N 1 1 360.458 3.117 20 5 FGBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000064311625 494112707 /nfs/dbraw/zinc/11/27/07/494112707.db2.gz QHRRVYQBBMTQCD-ZDUSSCGKSA-N 1 1 358.442 3.316 20 5 FGBDMO CC(C)[N@@H+](CCc1nc2ccccc2c(=O)[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350608 494116175 /nfs/dbraw/zinc/11/61/75/494116175.db2.gz HYCGPYXKDCRWHP-UHFFFAOYSA-N 1 1 366.421 3.284 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1ccc(F)cc1 ZINC000041888298 494185572 /nfs/dbraw/zinc/18/55/72/494185572.db2.gz PRGSQTHPJSEYGX-UHFFFAOYSA-N 1 1 361.373 3.203 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012284490 494218715 /nfs/dbraw/zinc/21/87/15/494218715.db2.gz JZZSMORHQRRXKL-HNNXBMFYSA-N 1 1 369.421 3.454 20 5 FGBDMO Cc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000072685756 494233048 /nfs/dbraw/zinc/23/30/48/494233048.db2.gz CSIKYFIHKYEENJ-MRXNPFEDSA-N 1 1 353.422 3.422 20 5 FGBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000089306168 494286869 /nfs/dbraw/zinc/28/68/69/494286869.db2.gz DPMHZANJDXHMTJ-LJQANCHMSA-N 1 1 367.449 3.166 20 5 FGBDMO COCC[N@@H+](C)CC[C@H](Nc1ncc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000078659625 494338788 /nfs/dbraw/zinc/33/87/88/494338788.db2.gz VFCQFXRMFBXGNY-KRWDZBQOSA-N 1 1 358.442 3.420 20 5 FGBDMO COc1cccc([C@@H](C)[NH+]2CCN(c3ncc(C)cc3[N+](=O)[O-])CC2)c1 ZINC000078659608 494339099 /nfs/dbraw/zinc/33/90/99/494339099.db2.gz KUFWRKGROGROAQ-OAHLLOKOSA-N 1 1 356.426 3.190 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2Cc2ccccc2)c1 ZINC000055472109 494349964 /nfs/dbraw/zinc/34/99/64/494349964.db2.gz WXEWIRSFCUFEMW-HKUYNNGSSA-N 1 1 356.422 3.042 20 5 FGBDMO C[N@H+](CCOc1ccc(F)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000016421350 494388078 /nfs/dbraw/zinc/38/80/78/494388078.db2.gz FHBSNVPWTQLVOE-UHFFFAOYSA-N 1 1 362.357 3.111 20 5 FGBDMO C[N@@H+](CCOc1ccc(F)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000016421350 494388081 /nfs/dbraw/zinc/38/80/81/494388081.db2.gz FHBSNVPWTQLVOE-UHFFFAOYSA-N 1 1 362.357 3.111 20 5 FGBDMO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000016500867 494393530 /nfs/dbraw/zinc/39/35/30/494393530.db2.gz VLBUQNMHLDARNE-UHFFFAOYSA-N 1 1 354.410 3.335 20 5 FGBDMO COC(=O)CC[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)CC(C)C ZINC000089891239 494395041 /nfs/dbraw/zinc/39/50/41/494395041.db2.gz IJVCRBNOIWVZLA-UHFFFAOYSA-N 1 1 361.398 3.271 20 5 FGBDMO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000089912652 494399736 /nfs/dbraw/zinc/39/97/36/494399736.db2.gz GAJUFGWPHVPLSE-BBWFWOEESA-N 1 1 357.410 3.495 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000067037945 494460921 /nfs/dbraw/zinc/46/09/21/494460921.db2.gz RNIQIMFGRLUNKV-HNNXBMFYSA-N 1 1 353.422 3.080 20 5 FGBDMO COc1ccc(C[C@@H](C)C[N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000090620677 494489325 /nfs/dbraw/zinc/48/93/25/494489325.db2.gz WFDAXBGDQOTGDM-OAHLLOKOSA-N 1 1 371.437 3.353 20 5 FGBDMO Cc1c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000574233599 505726506 /nfs/dbraw/zinc/72/65/06/505726506.db2.gz ZWHOIUSCGBNUOR-QAPCUYQASA-N 1 1 353.422 3.296 20 5 FGBDMO CN(CC[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1 ZINC000107681613 494584002 /nfs/dbraw/zinc/58/40/02/494584002.db2.gz PNWLEQPLRYWSNK-UHFFFAOYSA-N 1 1 357.410 3.030 20 5 FGBDMO CN(CC[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1 ZINC000107681613 494584010 /nfs/dbraw/zinc/58/40/10/494584010.db2.gz PNWLEQPLRYWSNK-UHFFFAOYSA-N 1 1 357.410 3.030 20 5 FGBDMO COc1cccc([C@H](C)[NH+]2CCN(c3cc(C)c([N+](=O)[O-])cn3)CC2)c1 ZINC000074747968 494590502 /nfs/dbraw/zinc/59/05/02/494590502.db2.gz FKQMRPLFAAVATH-HNNXBMFYSA-N 1 1 356.426 3.190 20 5 FGBDMO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000091480210 494608064 /nfs/dbraw/zinc/60/80/64/494608064.db2.gz CZTAUSWBOLWTKZ-NSHDSACASA-N 1 1 362.361 3.018 20 5 FGBDMO Cc1ccc(OC[C@H](O)C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c(C)c1 ZINC000131420777 494611451 /nfs/dbraw/zinc/61/14/51/494611451.db2.gz VTUZOHFZTCEDHP-LJQANCHMSA-N 1 1 356.422 3.010 20 5 FGBDMO Cc1ccc(OC[C@H](O)C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c(C)c1 ZINC000131420777 494611458 /nfs/dbraw/zinc/61/14/58/494611458.db2.gz VTUZOHFZTCEDHP-LJQANCHMSA-N 1 1 356.422 3.010 20 5 FGBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000107892432 494619717 /nfs/dbraw/zinc/61/97/17/494619717.db2.gz XWSDNUWJASDIRZ-HNNXBMFYSA-N 1 1 369.421 3.459 20 5 FGBDMO C[N@H+]1CCC[C@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@@H]1c1cccs1 ZINC000131689186 494701617 /nfs/dbraw/zinc/70/16/17/494701617.db2.gz BLYIDARKSCDXMZ-CXAGYDPISA-N 1 1 374.466 3.051 20 5 FGBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000080462654 494710040 /nfs/dbraw/zinc/71/00/40/494710040.db2.gz OMNCXGSBYPTTDC-CYBMUJFWSA-N 1 1 351.834 3.052 20 5 FGBDMO CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000092705439 494715626 /nfs/dbraw/zinc/71/56/26/494715626.db2.gz OSHJFUXZNFHXGY-AWEZNQCLSA-N 1 1 357.410 3.345 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](C)CCSC ZINC000126439325 494751896 /nfs/dbraw/zinc/75/18/96/494751896.db2.gz GDICJLIIZDOKKY-LBPRGKRZSA-N 1 1 355.460 3.005 20 5 FGBDMO CC(C)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000025535826 494754590 /nfs/dbraw/zinc/75/45/90/494754590.db2.gz MVHKMRKIJRYNLQ-FQEVSTJZSA-N 1 1 367.449 3.408 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000131892877 494766182 /nfs/dbraw/zinc/76/61/82/494766182.db2.gz XGXWVNHUCWUINT-MRXNPFEDSA-N 1 1 353.422 3.331 20 5 FGBDMO C[N@@H+](Cc1ccccc1Cl)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026215476 494811032 /nfs/dbraw/zinc/81/10/32/494811032.db2.gz DKFCWPUALUFZGC-HNNXBMFYSA-N 1 1 350.802 3.120 20 5 FGBDMO C[N@H+](Cc1ccccc1Cl)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026215476 494811039 /nfs/dbraw/zinc/81/10/39/494811039.db2.gz DKFCWPUALUFZGC-HNNXBMFYSA-N 1 1 350.802 3.120 20 5 FGBDMO COc1cccc(C[N@@H+](C)CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000026221973 494811319 /nfs/dbraw/zinc/81/13/19/494811319.db2.gz UXNHFFKAIYMYSR-UHFFFAOYSA-N 1 1 373.409 3.073 20 5 FGBDMO CC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](C)Cc1ccc(OC)cc1 ZINC000109012937 494821014 /nfs/dbraw/zinc/82/10/14/494821014.db2.gz BLSHRMMQLZVGFH-CQSZACIVSA-N 1 1 371.437 3.155 20 5 FGBDMO CCC[C@@H]([NH2+]C[C@H](C(C)C)N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000132359302 494862353 /nfs/dbraw/zinc/86/23/53/494862353.db2.gz RBCYLBNGXYCZFX-WOJBJXKFSA-N 1 1 362.518 3.298 20 5 FGBDMO COc1ccc(OC)c(C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO)c1 ZINC000093361450 494877741 /nfs/dbraw/zinc/87/77/41/494877741.db2.gz VOUUJGWTXPUZGD-FNORWQNLSA-N 1 1 372.421 3.120 20 5 FGBDMO COc1ccc(OC)c(C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO)c1 ZINC000093361450 494877745 /nfs/dbraw/zinc/87/77/45/494877745.db2.gz VOUUJGWTXPUZGD-FNORWQNLSA-N 1 1 372.421 3.120 20 5 FGBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000121903841 494885751 /nfs/dbraw/zinc/88/57/51/494885751.db2.gz OTWSDAPHQLZZCB-QGZVFWFLSA-N 1 1 360.458 3.143 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000093586150 494901217 /nfs/dbraw/zinc/90/12/17/494901217.db2.gz KZGSSUACMRZBGV-CXAGYDPISA-N 1 1 356.369 3.323 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000093586150 494901219 /nfs/dbraw/zinc/90/12/19/494901219.db2.gz KZGSSUACMRZBGV-CXAGYDPISA-N 1 1 356.369 3.323 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)o1 ZINC000093611828 494904657 /nfs/dbraw/zinc/90/46/57/494904657.db2.gz YSEVPRKLNIHLED-OAHLLOKOSA-N 1 1 356.300 3.354 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)o1 ZINC000093611828 494904664 /nfs/dbraw/zinc/90/46/64/494904664.db2.gz YSEVPRKLNIHLED-OAHLLOKOSA-N 1 1 356.300 3.354 20 5 FGBDMO CCOc1ccc(C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000110355675 494972393 /nfs/dbraw/zinc/97/23/93/494972393.db2.gz PBURHESLSDZRBZ-OAHLLOKOSA-N 1 1 371.437 3.244 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000122821767 495035893 /nfs/dbraw/zinc/03/58/93/495035893.db2.gz FZRMMXBKFLOCEZ-HOTGVXAUSA-N 1 1 362.474 3.241 20 5 FGBDMO Cc1c(CC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000123212623 495097455 /nfs/dbraw/zinc/09/74/55/495097455.db2.gz PGEGFKFZEKJIGY-LJQANCHMSA-N 1 1 367.449 3.227 20 5 FGBDMO CCN1CCC([NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1 ZINC000102420068 495135281 /nfs/dbraw/zinc/13/52/81/495135281.db2.gz JIJBGXUKWQSKJG-UHFFFAOYSA-N 1 1 359.426 3.437 20 5 FGBDMO CCS[C@H]1CCCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000112088485 495142439 /nfs/dbraw/zinc/14/24/39/495142439.db2.gz HSLPOXOOUAUNDE-HNNXBMFYSA-N 1 1 351.472 3.449 20 5 FGBDMO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000112337309 495177538 /nfs/dbraw/zinc/17/75/38/495177538.db2.gz OUQYNANOOQCEAA-UHFFFAOYSA-N 1 1 355.373 3.156 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000123747929 495180208 /nfs/dbraw/zinc/18/02/08/495180208.db2.gz ZIBLZHDIHBKHMZ-ZDUSSCGKSA-N 1 1 351.472 3.121 20 5 FGBDMO C[C@H]1CCC[N@H+]1C1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000134692939 495188000 /nfs/dbraw/zinc/18/80/00/495188000.db2.gz HBERLDWGCVXVTF-AWEZNQCLSA-N 1 1 371.441 3.094 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000134752820 495195302 /nfs/dbraw/zinc/19/53/02/495195302.db2.gz JBYUBYYIKDNDKU-INIZCTEOSA-N 1 1 374.485 3.181 20 5 FGBDMO C[C@H]1CCC[N@H+]1C1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000134752778 495195931 /nfs/dbraw/zinc/19/59/31/495195931.db2.gz VUJFSVNQYRIDDO-AWEZNQCLSA-N 1 1 371.441 3.094 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000568747394 505768705 /nfs/dbraw/zinc/76/87/05/505768705.db2.gz KBZORZWSIBYTGH-QAPCUYQASA-N 1 1 357.454 3.301 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000135045728 495243124 /nfs/dbraw/zinc/24/31/24/495243124.db2.gz BEUCVSJSBYNHSG-ZBFHGGJFSA-N 1 1 357.410 3.170 20 5 FGBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000119818475 495248422 /nfs/dbraw/zinc/24/84/22/495248422.db2.gz KQGRCLUILAWPHX-HUUCEWRRSA-N 1 1 365.499 3.170 20 5 FGBDMO COc1ccc([C@@H](CO)[N@@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000112996057 495265046 /nfs/dbraw/zinc/26/50/46/495265046.db2.gz WQPCVBCEZDBHKR-LJQANCHMSA-N 1 1 360.410 3.038 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000129933701 495315999 /nfs/dbraw/zinc/31/59/99/495315999.db2.gz ZVVCFLYZBJKWHE-VYDXJSESSA-N 1 1 362.474 3.336 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000136030558 495351404 /nfs/dbraw/zinc/35/14/04/495351404.db2.gz XUDFXPIRGJHIST-ZDUSSCGKSA-N 1 1 351.472 3.169 20 5 FGBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000114784503 495424787 /nfs/dbraw/zinc/42/47/87/495424787.db2.gz HEBDMUVQJLJYHA-IBGZPJMESA-N 1 1 368.437 3.059 20 5 FGBDMO CC(C)Oc1cccc(C[N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000120654414 495427666 /nfs/dbraw/zinc/42/76/66/495427666.db2.gz MBQSLQIYAHYJBB-SFHVURJKSA-N 1 1 374.437 3.254 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1c1ccncc1 ZINC000125353270 495430998 /nfs/dbraw/zinc/43/09/98/495430998.db2.gz VNHHVYPNRYUUPL-SFHVURJKSA-N 1 1 354.410 3.464 20 5 FGBDMO C[C@H]1C[C@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000131283564 495516966 /nfs/dbraw/zinc/51/69/66/495516966.db2.gz XKMWIKCVDRZUJQ-FUHWJXTLSA-N 1 1 367.449 3.164 20 5 FGBDMO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC(O)(c4ccccc4)CC3)nc2c1 ZINC000185503505 495602452 /nfs/dbraw/zinc/60/24/52/495602452.db2.gz PNZFWCYXVGNVRT-UHFFFAOYSA-N 1 1 353.378 3.220 20 5 FGBDMO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000179482330 495609332 /nfs/dbraw/zinc/60/93/32/495609332.db2.gz KURMPFJLACKVHH-UHFFFAOYSA-N 1 1 353.422 3.251 20 5 FGBDMO Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000179482330 495609340 /nfs/dbraw/zinc/60/93/40/495609340.db2.gz KURMPFJLACKVHH-UHFFFAOYSA-N 1 1 353.422 3.251 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@H+](C[C@H](O)COc2ccccc2F)C2CC2)cc1 ZINC000179518080 495624620 /nfs/dbraw/zinc/62/46/20/495624620.db2.gz MGUUDFXSAQUMDP-KRWDZBQOSA-N 1 1 360.385 3.138 20 5 FGBDMO C[N@H+](CCOCc1ccccc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000154521255 495641395 /nfs/dbraw/zinc/64/13/95/495641395.db2.gz LXAPNKSKRYRZDK-UHFFFAOYSA-N 1 1 358.394 3.110 20 5 FGBDMO C[N@@H+](CCOCc1ccccc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000154521255 495641402 /nfs/dbraw/zinc/64/14/02/495641402.db2.gz LXAPNKSKRYRZDK-UHFFFAOYSA-N 1 1 358.394 3.110 20 5 FGBDMO CCc1nn(C)c(NC[C@@H](c2ccccc2Cl)[NH+](C)C)c1[N+](=O)[O-] ZINC000179563027 495641862 /nfs/dbraw/zinc/64/18/62/495641862.db2.gz QQWXHHLPZGSQOG-AWEZNQCLSA-N 1 1 351.838 3.259 20 5 FGBDMO CC[N@H+](CCc1nccs1)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000159184753 495679383 /nfs/dbraw/zinc/67/93/83/495679383.db2.gz DBVDYVFCQJPPTA-UHFFFAOYSA-N 1 1 368.846 3.208 20 5 FGBDMO CC[N@@H+](CCc1nccs1)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000159184753 495679389 /nfs/dbraw/zinc/67/93/89/495679389.db2.gz DBVDYVFCQJPPTA-UHFFFAOYSA-N 1 1 368.846 3.208 20 5 FGBDMO C[C@@H]1C[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000176527090 495685102 /nfs/dbraw/zinc/68/51/02/495685102.db2.gz UODKTTKNGRATKY-CRAIPNDOSA-N 1 1 368.437 3.057 20 5 FGBDMO C[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccc(F)c1F ZINC000159461673 495738286 /nfs/dbraw/zinc/73/82/86/495738286.db2.gz SASYDLDNKRJMAB-BZNIZROVSA-N 1 1 361.348 3.329 20 5 FGBDMO CC[C@@](C)([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1nc(C)cs1 ZINC000173951739 495760701 /nfs/dbraw/zinc/76/07/01/495760701.db2.gz FWRGRKRJKPGHFX-GOSISDBHSA-N 1 1 374.466 3.164 20 5 FGBDMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000173965641 495768269 /nfs/dbraw/zinc/76/82/69/495768269.db2.gz NVDQZXKDJNJOED-CQSZACIVSA-N 1 1 373.375 3.218 20 5 FGBDMO COc1cccc(F)c1[C@@H](C)[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000174222511 495870406 /nfs/dbraw/zinc/87/04/06/495870406.db2.gz XMUOBRVAYCCLCF-MLGOLLRUSA-N 1 1 373.384 3.199 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000183251619 495900214 /nfs/dbraw/zinc/90/02/14/495900214.db2.gz HTYDLGBJIXCWIB-UHFFFAOYSA-N 1 1 369.450 3.230 20 5 FGBDMO COc1ccc(C[NH+]2CCC(Oc3ccncc3C)CC2)cc1[N+](=O)[O-] ZINC000568935551 505811858 /nfs/dbraw/zinc/81/18/58/505811858.db2.gz BHVAUHZLHVILKG-UHFFFAOYSA-N 1 1 357.410 3.350 20 5 FGBDMO Cc1cc(C)cc([C@H]2CC[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)c1 ZINC000183490805 496006629 /nfs/dbraw/zinc/00/66/29/496006629.db2.gz WLQLFIGCZOTTJC-INIZCTEOSA-N 1 1 353.422 3.300 20 5 FGBDMO CSc1cccc(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c1[N+](=O)[O-] ZINC000186606489 496069642 /nfs/dbraw/zinc/06/96/42/496069642.db2.gz QKLGFRMWLOKSIT-CQSZACIVSA-N 1 1 363.483 3.311 20 5 FGBDMO Cc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)ccc1-n1cncn1 ZINC000183799979 496121154 /nfs/dbraw/zinc/12/11/54/496121154.db2.gz FEKJLXKPEVWXSG-UHFFFAOYSA-N 1 1 357.801 3.427 20 5 FGBDMO CCOc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cc1[N+](=O)[O-] ZINC000174984077 496193595 /nfs/dbraw/zinc/19/35/95/496193595.db2.gz IIJAQBCNGWNARQ-CVEARBPZSA-N 1 1 361.442 3.081 20 5 FGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000177819164 496209201 /nfs/dbraw/zinc/20/92/01/496209201.db2.gz ZMXZEXXBWBVZEL-FMKPAKJESA-N 1 1 363.483 3.161 20 5 FGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000184069879 496225534 /nfs/dbraw/zinc/22/55/34/496225534.db2.gz CEGGQVJVYNTZPY-UHFFFAOYSA-N 1 1 364.442 3.011 20 5 FGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOCC2(CCOCC2)C1 ZINC000184069879 496225538 /nfs/dbraw/zinc/22/55/38/496225538.db2.gz CEGGQVJVYNTZPY-UHFFFAOYSA-N 1 1 364.442 3.011 20 5 FGBDMO CC[C@H](c1ccccc1OC)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000577973400 505831375 /nfs/dbraw/zinc/83/13/75/505831375.db2.gz JTWZYEJWEUVVCU-MRXNPFEDSA-N 1 1 357.410 3.285 20 5 FGBDMO CC[C@H](c1ccccc1OC)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000577973400 505831379 /nfs/dbraw/zinc/83/13/79/505831379.db2.gz JTWZYEJWEUVVCU-MRXNPFEDSA-N 1 1 357.410 3.285 20 5 FGBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000178053429 496306554 /nfs/dbraw/zinc/30/65/54/496306554.db2.gz CVVOHUPLBRUUMQ-HNNXBMFYSA-N 1 1 371.412 3.376 20 5 FGBDMO O=C(NC[C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000178053429 496306557 /nfs/dbraw/zinc/30/65/57/496306557.db2.gz CVVOHUPLBRUUMQ-HNNXBMFYSA-N 1 1 371.412 3.376 20 5 FGBDMO Cc1cnn(-c2cc[nH+]cc2NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000156725501 496320378 /nfs/dbraw/zinc/32/03/78/496320378.db2.gz ZSNUCWPNAYQKQU-UHFFFAOYSA-N 1 1 371.784 3.319 20 5 FGBDMO COc1cc(CN[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c([N+](=O)[O-])cc1F ZINC000184405385 496370312 /nfs/dbraw/zinc/37/03/12/496370312.db2.gz DWEQPCFRIKBEAK-UONOGXRCSA-N 1 1 365.449 3.485 20 5 FGBDMO COc1cccc([C@H](C)[NH+]2CCN(c3nc(C)ccc3[N+](=O)[O-])CC2)c1 ZINC000178211545 496371229 /nfs/dbraw/zinc/37/12/29/496371229.db2.gz ZKUFTYITJVUTSN-HNNXBMFYSA-N 1 1 356.426 3.190 20 5 FGBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](CCc1nc(-c3ccccc3)no1)C2 ZINC000153172067 496374254 /nfs/dbraw/zinc/37/42/54/496374254.db2.gz KQGGYTAQXXSVNK-UHFFFAOYSA-N 1 1 350.378 3.246 20 5 FGBDMO COCCc1nc(C)c([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)s1 ZINC000181413130 496384483 /nfs/dbraw/zinc/38/44/83/496384483.db2.gz QZHHZCPBPNOTJC-LLVKDONJSA-N 1 1 365.455 3.408 20 5 FGBDMO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H]1CCCC[C@@H]1O ZINC000181469573 496409866 /nfs/dbraw/zinc/40/98/66/496409866.db2.gz SSTLGZNAXNADFJ-WBVHZDCISA-N 1 1 359.426 3.275 20 5 FGBDMO CSc1ccc(C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000172839239 496456653 /nfs/dbraw/zinc/45/66/53/496456653.db2.gz LAOBBFDSTIZXKL-CQSZACIVSA-N 1 1 351.472 3.263 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000163233092 496485444 /nfs/dbraw/zinc/48/54/44/496485444.db2.gz BCXHVKNVBWMHOP-KDOFPFPSSA-N 1 1 358.442 3.384 20 5 FGBDMO CC(C)N(C)C(=O)C1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000163320163 496497565 /nfs/dbraw/zinc/49/75/65/496497565.db2.gz UDAMJZJGOXGOBP-UHFFFAOYSA-N 1 1 353.850 3.327 20 5 FGBDMO O=C(c1ccccc1)C1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000178570334 496502356 /nfs/dbraw/zinc/50/23/56/496502356.db2.gz VLDUPJQZSDBIRA-IBGZPJMESA-N 1 1 354.406 3.223 20 5 FGBDMO COC[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000181695594 496506069 /nfs/dbraw/zinc/50/60/69/496506069.db2.gz ZLCPQMCECUUTAH-HNNXBMFYSA-N 1 1 363.801 3.164 20 5 FGBDMO CC[C@@]1(CO)CCC[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000187611177 496509458 /nfs/dbraw/zinc/50/94/58/496509458.db2.gz FRCVWCLYFZSFLR-SCLBCKFNSA-N 1 1 360.414 3.190 20 5 FGBDMO C[C@]1(CNC(=O)Nc2ccncc2[N+](=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000157699095 496532743 /nfs/dbraw/zinc/53/27/43/496532743.db2.gz JWNLCGDSGKRDAV-LJQANCHMSA-N 1 1 369.425 3.166 20 5 FGBDMO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000153691636 496546855 /nfs/dbraw/zinc/54/68/55/496546855.db2.gz OQYJATWSJVSJMU-LRDDRELGSA-N 1 1 363.845 3.337 20 5 FGBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2cccs2)n1 ZINC000175864775 496578567 /nfs/dbraw/zinc/57/85/67/496578567.db2.gz OSMZOAGEQYJQPV-HUUCEWRRSA-N 1 1 364.471 3.221 20 5 FGBDMO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181887784 496586996 /nfs/dbraw/zinc/58/69/96/496586996.db2.gz NDOGPKAEDUGMFM-DOTOQJQBSA-N 1 1 374.462 3.247 20 5 FGBDMO C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181887784 496586997 /nfs/dbraw/zinc/58/69/97/496586997.db2.gz NDOGPKAEDUGMFM-DOTOQJQBSA-N 1 1 374.462 3.247 20 5 FGBDMO CC[N@H+](Cc1ccc2c(c1)OCO2)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000164306247 496603107 /nfs/dbraw/zinc/60/31/07/496603107.db2.gz RYVIJXCUINWTOZ-ZDUSSCGKSA-N 1 1 371.393 3.173 20 5 FGBDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000164306247 496603109 /nfs/dbraw/zinc/60/31/09/496603109.db2.gz RYVIJXCUINWTOZ-ZDUSSCGKSA-N 1 1 371.393 3.173 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c1 ZINC000173265658 496617432 /nfs/dbraw/zinc/61/74/32/496617432.db2.gz WMCWSQQLSUGXGN-CQSZACIVSA-N 1 1 363.483 3.311 20 5 FGBDMO CCO[C@@H]1C[C@H]([N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C12CCC2 ZINC000154026542 496659704 /nfs/dbraw/zinc/65/97/04/496659704.db2.gz SFNSVZIEVUVEOE-JKSUJKDBSA-N 1 1 372.425 3.424 20 5 FGBDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C12CCC2 ZINC000154026542 496659711 /nfs/dbraw/zinc/65/97/11/496659711.db2.gz SFNSVZIEVUVEOE-JKSUJKDBSA-N 1 1 372.425 3.424 20 5 FGBDMO CSc1cccc(C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000188080771 496675854 /nfs/dbraw/zinc/67/58/54/496675854.db2.gz KADRFITUYWUUHB-HZSPNIEDSA-N 1 1 365.499 3.413 20 5 FGBDMO Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000182193948 496702466 /nfs/dbraw/zinc/70/24/66/496702466.db2.gz DODSVTLOBDNYTN-OAHLLOKOSA-N 1 1 364.829 3.428 20 5 FGBDMO Cc1ccc(Cl)c(OC[C@H](O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000182193948 496702471 /nfs/dbraw/zinc/70/24/71/496702471.db2.gz DODSVTLOBDNYTN-OAHLLOKOSA-N 1 1 364.829 3.428 20 5 FGBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2C2CCCC2)cc1 ZINC000182223080 496712627 /nfs/dbraw/zinc/71/26/27/496712627.db2.gz CAABLLJYIPCYGZ-KRWDZBQOSA-N 1 1 352.456 3.023 20 5 FGBDMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000194866716 496740986 /nfs/dbraw/zinc/74/09/86/496740986.db2.gz YUPMOGQYHLTDAC-SFHVURJKSA-N 1 1 350.415 3.015 20 5 FGBDMO COCC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccco1 ZINC000273320015 496773261 /nfs/dbraw/zinc/77/32/61/496773261.db2.gz WJPLOLHWIOOEKE-CYBMUJFWSA-N 1 1 367.789 3.147 20 5 FGBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247258596 496817905 /nfs/dbraw/zinc/81/79/05/496817905.db2.gz VCOSBZFOIDHARD-WMLDXEAASA-N 1 1 368.437 3.081 20 5 FGBDMO C[C@@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000273484666 496819182 /nfs/dbraw/zinc/81/91/82/496819182.db2.gz LZPXLRIIHFATDM-WFASDCNBSA-N 1 1 357.439 3.268 20 5 FGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(NC(=O)C(C)C)CC1 ZINC000264223418 496843115 /nfs/dbraw/zinc/84/31/15/496843115.db2.gz WJJRVAMUFJVASL-UHFFFAOYSA-N 1 1 363.458 3.119 20 5 FGBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000269013547 496849114 /nfs/dbraw/zinc/84/91/14/496849114.db2.gz NKJXNQGQVRSZKM-BXUZGUMPSA-N 1 1 371.359 3.170 20 5 FGBDMO CC(C)C[C@]1(CO)CCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000191665778 496850769 /nfs/dbraw/zinc/85/07/69/496850769.db2.gz PXJXIAPXAGCWPZ-KRWDZBQOSA-N 1 1 369.849 3.060 20 5 FGBDMO Cc1cccc([C@H]2CCCCC[N@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000247558038 496888895 /nfs/dbraw/zinc/88/88/95/496888895.db2.gz QMRFGSGJQAKTAC-RTBURBONSA-N 1 1 358.442 3.078 20 5 FGBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000277849824 496909629 /nfs/dbraw/zinc/90/96/29/496909629.db2.gz ABGZSKKMYGKBRS-UHFFFAOYSA-N 1 1 370.409 3.051 20 5 FGBDMO C[C@@H](C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000248539578 497034723 /nfs/dbraw/zinc/03/47/23/497034723.db2.gz AWCXRGNMTDYRPN-QLFBSQMISA-N 1 1 365.449 3.322 20 5 FGBDMO COc1ccc(C[NH+]2CCC(Oc3ncccc3F)CC2)cc1[N+](=O)[O-] ZINC000278290309 497063742 /nfs/dbraw/zinc/06/37/42/497063742.db2.gz KUZKCKLLGIYNSI-UHFFFAOYSA-N 1 1 361.373 3.181 20 5 FGBDMO Cn1ccnc1[C@H](NC[C@@H]1CCCC[N@H+]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000278313515 497071136 /nfs/dbraw/zinc/07/11/36/497071136.db2.gz FJARDTYWZWRWKJ-RBUKOAKNSA-N 1 1 369.469 3.024 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCCNc1c(Br)cncc1[N+](=O)[O-] ZINC000231628769 497108922 /nfs/dbraw/zinc/10/89/22/497108922.db2.gz ZBOXKJRPYPCWHM-LLVKDONJSA-N 1 1 357.252 3.429 20 5 FGBDMO COc1cc(C[NH2+][C@@H]2CCOc3ccc(F)cc32)c([N+](=O)[O-])cc1OC ZINC000189586432 497173073 /nfs/dbraw/zinc/17/30/73/497173073.db2.gz YXTFREZKEHUQST-CQSZACIVSA-N 1 1 362.357 3.365 20 5 FGBDMO Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)n1 ZINC000271055943 497256163 /nfs/dbraw/zinc/25/61/63/497256163.db2.gz UUMKUPZKVFWQDW-UHFFFAOYSA-N 1 1 371.441 3.345 20 5 FGBDMO O=[N+]([O-])c1c(N2CCC(c3[nH+]cc4n3CCCC4)CC2)nc2sccn21 ZINC000278974358 497287627 /nfs/dbraw/zinc/28/76/27/497287627.db2.gz ZTCBYUXCUWRKJQ-UHFFFAOYSA-N 1 1 372.454 3.221 20 5 FGBDMO C[C@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C)C1 ZINC000252221363 497297736 /nfs/dbraw/zinc/29/77/36/497297736.db2.gz ZCYKOIBXSWTMGJ-JKSUJKDBSA-N 1 1 374.485 3.045 20 5 FGBDMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275391178 497311004 /nfs/dbraw/zinc/31/10/04/497311004.db2.gz AIOHWESYUOPIJJ-CQSZACIVSA-N 1 1 361.445 3.308 20 5 FGBDMO C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000271711371 497425726 /nfs/dbraw/zinc/42/57/26/497425726.db2.gz VGPLQBWPCYPBAH-RLFYNMQTSA-N 1 1 372.469 3.314 20 5 FGBDMO COC[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000193687486 497447722 /nfs/dbraw/zinc/44/77/22/497447722.db2.gz XHDYCVMTHUPYOO-OAHLLOKOSA-N 1 1 363.801 3.164 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)cccc1[N+](=O)[O-] ZINC000245567350 497459766 /nfs/dbraw/zinc/45/97/66/497459766.db2.gz FLEOTAPVTISJJW-XUWXXGDYSA-N 1 1 371.441 3.010 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)cccc1[N+](=O)[O-] ZINC000245567350 497459768 /nfs/dbraw/zinc/45/97/68/497459768.db2.gz FLEOTAPVTISJJW-XUWXXGDYSA-N 1 1 371.441 3.010 20 5 FGBDMO O=C(Nc1ccc(O)cc1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267014091 497469003 /nfs/dbraw/zinc/46/90/03/497469003.db2.gz OBWNIUFSHSVYBF-UHFFFAOYSA-N 1 1 373.384 3.290 20 5 FGBDMO C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1n1ccnc1 ZINC000245702319 497507780 /nfs/dbraw/zinc/50/77/80/497507780.db2.gz BOXZSXHKIUNZGH-IUODEOHRSA-N 1 1 366.368 3.476 20 5 FGBDMO C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1n1ccnc1 ZINC000245702319 497507786 /nfs/dbraw/zinc/50/77/86/497507786.db2.gz BOXZSXHKIUNZGH-IUODEOHRSA-N 1 1 366.368 3.476 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000279813105 497550922 /nfs/dbraw/zinc/55/09/22/497550922.db2.gz LJXOEYUALHUTHT-ABAIWWIYSA-N 1 1 371.840 3.119 20 5 FGBDMO C[C@H]1OCC[C@]1(O)C[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000572206547 505914121 /nfs/dbraw/zinc/91/41/21/505914121.db2.gz ZJGLSDFOBSMCOZ-KDOFPFPSSA-N 1 1 362.451 3.198 20 5 FGBDMO C[C@H]1OCC[C@]1(O)C[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000572206547 505914124 /nfs/dbraw/zinc/91/41/24/505914124.db2.gz ZJGLSDFOBSMCOZ-KDOFPFPSSA-N 1 1 362.451 3.198 20 5 FGBDMO C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272363866 497609227 /nfs/dbraw/zinc/60/92/27/497609227.db2.gz SOACUNXZJXNCES-VQIMIIECSA-N 1 1 367.449 3.164 20 5 FGBDMO C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272386466 497614628 /nfs/dbraw/zinc/61/46/28/497614628.db2.gz WGEXXRHOQMZSCO-DZGCQCFKSA-N 1 1 359.451 3.297 20 5 FGBDMO CC(C)CCOC1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000194335214 497638151 /nfs/dbraw/zinc/63/81/51/497638151.db2.gz RGLPLLFKMVMSLD-HNNXBMFYSA-N 1 1 363.458 3.449 20 5 FGBDMO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000272655169 497691872 /nfs/dbraw/zinc/69/18/72/497691872.db2.gz FZYGJPNYXMAPKX-UHFFFAOYSA-N 1 1 361.442 3.029 20 5 FGBDMO CC[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000246415304 497727425 /nfs/dbraw/zinc/72/74/25/497727425.db2.gz LFKIHGRVZZHZPF-JLSDUUJJSA-N 1 1 362.474 3.418 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@H](c3ccncc3)C2)cccc1[N+](=O)[O-] ZINC000581169664 505925880 /nfs/dbraw/zinc/92/58/80/505925880.db2.gz GOINNPJWQGMJQI-INIZCTEOSA-N 1 1 354.410 3.116 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194775657 497766697 /nfs/dbraw/zinc/76/66/97/497766697.db2.gz RBFPILFEGKVFCK-SFHVURJKSA-N 1 1 367.449 3.497 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000246729498 497805145 /nfs/dbraw/zinc/80/51/45/497805145.db2.gz MBDRFMGYEJVJKI-KBXCAEBGSA-N 1 1 353.422 3.319 20 5 FGBDMO CC(C)c1nnc(NC(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])s1 ZINC000292055652 497858615 /nfs/dbraw/zinc/85/86/15/497858615.db2.gz CBNUIMQXKJHHPY-UHFFFAOYSA-N 1 1 363.443 3.033 20 5 FGBDMO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc([N+](=O)[O-])cc1 ZINC000296035809 497899233 /nfs/dbraw/zinc/89/92/33/497899233.db2.gz NQHXOGKEURNBSB-NSHDSACASA-N 1 1 359.338 3.220 20 5 FGBDMO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000364328357 497902167 /nfs/dbraw/zinc/90/21/67/497902167.db2.gz MUMKFKJRAKRASM-KRWDZBQOSA-N 1 1 366.425 3.327 20 5 FGBDMO Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364340552 497908343 /nfs/dbraw/zinc/90/83/43/497908343.db2.gz RZTGHHBETUKPSS-OAHLLOKOSA-N 1 1 360.462 3.197 20 5 FGBDMO COCC[NH+]1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000301104730 497953234 /nfs/dbraw/zinc/95/32/34/497953234.db2.gz SNIPQLVTKBPGOQ-UHFFFAOYSA-N 1 1 367.755 3.035 20 5 FGBDMO CSC[C@@H]1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000292304652 497962845 /nfs/dbraw/zinc/96/28/45/497962845.db2.gz DJTRSXZIDYEORA-GFCCVEGCSA-N 1 1 355.435 3.138 20 5 FGBDMO C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+](C2CC2)C1 ZINC000296260294 497974889 /nfs/dbraw/zinc/97/48/89/497974889.db2.gz LPDPFABYQRSJCI-LLVKDONJSA-N 1 1 352.822 3.196 20 5 FGBDMO CSC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000292415246 498007377 /nfs/dbraw/zinc/00/73/77/498007377.db2.gz MJDJOSVBYQCCQB-UONOGXRCSA-N 1 1 351.472 3.305 20 5 FGBDMO C[C@@H](C(=O)Nc1cccnc1Cl)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285303425 498046907 /nfs/dbraw/zinc/04/69/07/498046907.db2.gz LLLJNIFZQKZQDE-LBPRGKRZSA-N 1 1 362.817 3.145 20 5 FGBDMO C[C@@H](C(=O)Nc1cccnc1Cl)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285303425 498046911 /nfs/dbraw/zinc/04/69/11/498046911.db2.gz LLLJNIFZQKZQDE-LBPRGKRZSA-N 1 1 362.817 3.145 20 5 FGBDMO COc1cc(C[N@@H+]2CCC[C@]3(CCCCO3)C2)c([N+](=O)[O-])cc1OC ZINC000364809635 498154082 /nfs/dbraw/zinc/15/40/82/498154082.db2.gz JTKLCLUKRMZIJX-GOSISDBHSA-N 1 1 350.415 3.147 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@]3(CCCCO3)C2)c([N+](=O)[O-])cc1OC ZINC000364809635 498154088 /nfs/dbraw/zinc/15/40/88/498154088.db2.gz JTKLCLUKRMZIJX-GOSISDBHSA-N 1 1 350.415 3.147 20 5 FGBDMO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285640857 498156503 /nfs/dbraw/zinc/15/65/03/498156503.db2.gz DGFQPRKMAGFNEL-LJQANCHMSA-N 1 1 371.462 3.395 20 5 FGBDMO C[C@H](CNc1ncc([N+](=O)[O-])cc1Br)[N@H+]1CCC[C@@H](C)C1 ZINC000301577612 498170909 /nfs/dbraw/zinc/17/09/09/498170909.db2.gz ZFPIYUBSFBOPTE-GHMZBOCLSA-N 1 1 357.252 3.285 20 5 FGBDMO CC(C)C[N@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000301602909 498183080 /nfs/dbraw/zinc/18/30/80/498183080.db2.gz KQGZCDSVEYDAJN-LLVKDONJSA-N 1 1 357.252 3.142 20 5 FGBDMO C[C@H](C(=O)N(C)CC[C@H]1CCCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1F ZINC000330877167 498209694 /nfs/dbraw/zinc/20/96/94/498209694.db2.gz XEVLTOBKKZACRX-UONOGXRCSA-N 1 1 351.422 3.170 20 5 FGBDMO O=[N+]([O-])c1cc(Br)cnc1N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000301666878 498214518 /nfs/dbraw/zinc/21/45/18/498214518.db2.gz CLVNXOHCHREINX-ZDUSSCGKSA-N 1 1 369.263 3.429 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])c(C)n3)C2)cc(OC)c1 ZINC000301685229 498223575 /nfs/dbraw/zinc/22/35/75/498223575.db2.gz WRDQNNBQRJLOEW-HNNXBMFYSA-N 1 1 372.425 3.002 20 5 FGBDMO CCO[C@H](CC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000569727940 506002128 /nfs/dbraw/zinc/00/21/28/506002128.db2.gz RWYUJJKAVJDUGV-QZTJIDSGSA-N 1 1 360.458 3.459 20 5 FGBDMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1cc([N+](=O)[O-])c(C)cc1F ZINC000296905698 498245433 /nfs/dbraw/zinc/24/54/33/498245433.db2.gz YDWLPIICPQTZKZ-ZDUSSCGKSA-N 1 1 361.377 3.244 20 5 FGBDMO C[C@H]([C@H](C)Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)[NH+]1CCOCC1 ZINC000301851832 498292595 /nfs/dbraw/zinc/29/25/95/498292595.db2.gz GDVDWXOQEWWJMJ-LSDHHAIUSA-N 1 1 356.426 3.178 20 5 FGBDMO C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000569785227 506016003 /nfs/dbraw/zinc/01/60/03/506016003.db2.gz CPTFMHVFNZFJEW-QGZVFWFLSA-N 1 1 367.449 3.433 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000365179560 498338628 /nfs/dbraw/zinc/33/86/28/498338628.db2.gz JTLQVMSNOUPTFP-OAHLLOKOSA-N 1 1 372.425 3.228 20 5 FGBDMO Cc1cnn([C@H]2CC[N@@H+]([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)c1 ZINC000289970882 498376306 /nfs/dbraw/zinc/37/63/06/498376306.db2.gz RDTDMBZFGVYNMK-BBRMVZONSA-N 1 1 368.397 3.158 20 5 FGBDMO Cc1cnn([C@H]2CC[N@H+]([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)c1 ZINC000289970882 498376311 /nfs/dbraw/zinc/37/63/11/498376311.db2.gz RDTDMBZFGVYNMK-BBRMVZONSA-N 1 1 368.397 3.158 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1 ZINC000302056949 498388574 /nfs/dbraw/zinc/38/85/74/498388574.db2.gz RBLOVBCLKWFMRY-GOSISDBHSA-N 1 1 355.438 3.472 20 5 FGBDMO C[N@H+]1CC[C@]2(CCN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)C2)C1 ZINC000293594048 498423516 /nfs/dbraw/zinc/42/35/16/498423516.db2.gz BHMALQUGLCMMCL-QFIPXVFZSA-N 1 1 361.445 3.261 20 5 FGBDMO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000331727785 498434968 /nfs/dbraw/zinc/43/49/68/498434968.db2.gz OIDSCBQPXOZIDM-CQSZACIVSA-N 1 1 371.359 3.147 20 5 FGBDMO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000331727785 498434980 /nfs/dbraw/zinc/43/49/80/498434980.db2.gz OIDSCBQPXOZIDM-CQSZACIVSA-N 1 1 371.359 3.147 20 5 FGBDMO COc1cc(C[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)c([N+](=O)[O-])cc1OC ZINC000293715808 498464850 /nfs/dbraw/zinc/46/48/50/498464850.db2.gz SVMXZGCNGSRTGR-GOSISDBHSA-N 1 1 362.426 3.003 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000286941718 498562409 /nfs/dbraw/zinc/56/24/09/498562409.db2.gz MCIYPIXEAHOKCD-UHFFFAOYSA-N 1 1 360.414 3.482 20 5 FGBDMO C[C@H](NC(=O)N(C)CCC[N@@H+](C)Cc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000286947139 498563420 /nfs/dbraw/zinc/56/34/20/498563420.db2.gz QRMUZSXUQKTFHW-HNNXBMFYSA-N 1 1 374.441 3.412 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000282704886 498618683 /nfs/dbraw/zinc/61/86/83/498618683.db2.gz UCWDAFCAQLEHMS-KRWDZBQOSA-N 1 1 373.409 3.153 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000298221649 498700626 /nfs/dbraw/zinc/70/06/26/498700626.db2.gz GBQPIMHXMUWGAE-ZBFHGGJFSA-N 1 1 353.369 3.209 20 5 FGBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000332671581 498759563 /nfs/dbraw/zinc/75/95/63/498759563.db2.gz ZTFNOZIOWPEVLZ-OAHLLOKOSA-N 1 1 363.483 3.263 20 5 FGBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CCN(c2ccc(Cl)cc2)CC1 ZINC000363367394 498781785 /nfs/dbraw/zinc/78/17/85/498781785.db2.gz QPBWDHJZDDZOQC-UHFFFAOYSA-N 1 1 363.849 3.046 20 5 FGBDMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000576165256 506091744 /nfs/dbraw/zinc/09/17/44/506091744.db2.gz GPCDWHJOMGSZMA-KYNGSXCRSA-N 1 1 353.422 3.260 20 5 FGBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283203783 498816803 /nfs/dbraw/zinc/81/68/03/498816803.db2.gz RMZCBXVRBYLLET-TZMCWYRMSA-N 1 1 367.421 3.469 20 5 FGBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cc(C(F)(F)F)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000294984334 498870263 /nfs/dbraw/zinc/87/02/63/498870263.db2.gz OTDZQRLTROWOQD-FZMZJTMJSA-N 1 1 371.359 3.170 20 5 FGBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291377343 498917293 /nfs/dbraw/zinc/91/72/93/498917293.db2.gz BMHSESOUZMWENJ-CHWSQXEVSA-N 1 1 358.225 3.258 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1CN(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000366618384 499005730 /nfs/dbraw/zinc/00/57/30/499005730.db2.gz FGFGXWRNEKYATR-PXNSSMCTSA-N 1 1 370.453 3.123 20 5 FGBDMO CC[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1nnc2n1CCCCC2 ZINC000284031484 499034616 /nfs/dbraw/zinc/03/46/16/499034616.db2.gz JIXSIDOLMNJXRG-WFASDCNBSA-N 1 1 358.446 3.297 20 5 FGBDMO C[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccc(F)cc1 ZINC000366795902 499076426 /nfs/dbraw/zinc/07/64/26/499076426.db2.gz PHNPQUZACMZNFR-IAGOWNOFSA-N 1 1 361.348 3.048 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccc(F)cc1 ZINC000366795902 499076429 /nfs/dbraw/zinc/07/64/29/499076429.db2.gz PHNPQUZACMZNFR-IAGOWNOFSA-N 1 1 361.348 3.048 20 5 FGBDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000295811665 499106508 /nfs/dbraw/zinc/10/65/08/499106508.db2.gz LCGHIRVJXAJCER-UHFFFAOYSA-N 1 1 373.453 3.363 20 5 FGBDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000295811665 499106511 /nfs/dbraw/zinc/10/65/11/499106511.db2.gz LCGHIRVJXAJCER-UHFFFAOYSA-N 1 1 373.453 3.363 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000291960148 499111465 /nfs/dbraw/zinc/11/14/65/499111465.db2.gz WKXJWQQKKQHQTC-DOTOQJQBSA-N 1 1 353.422 3.296 20 5 FGBDMO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000372741169 499169103 /nfs/dbraw/zinc/16/91/03/499169103.db2.gz PCURPDIYOQJRPB-SFHVURJKSA-N 1 1 371.441 3.111 20 5 FGBDMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)[C@@H]1c1cccc(Cl)c1 ZINC000370524083 499228595 /nfs/dbraw/zinc/22/85/95/499228595.db2.gz RPFYDGXIKRBTDK-GUYCJALGSA-N 1 1 374.828 3.066 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC([C@H]2CCCOC2)CC1 ZINC000368003021 499254037 /nfs/dbraw/zinc/25/40/37/499254037.db2.gz VCGVFARUQLFTLA-ZBFHGGJFSA-N 1 1 361.442 3.060 20 5 FGBDMO Cc1ccnc(C2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)n1 ZINC000368329375 499285640 /nfs/dbraw/zinc/28/56/40/499285640.db2.gz SLQSZRKFWRZICI-UHFFFAOYSA-N 1 1 353.382 3.214 20 5 FGBDMO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000371075685 499286479 /nfs/dbraw/zinc/28/64/79/499286479.db2.gz RDKIHSHYNHFDCU-NVXWUHKLSA-N 1 1 361.348 3.048 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000371075685 499286481 /nfs/dbraw/zinc/28/64/81/499286481.db2.gz RDKIHSHYNHFDCU-NVXWUHKLSA-N 1 1 361.348 3.048 20 5 FGBDMO CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000371120777 499290498 /nfs/dbraw/zinc/29/04/98/499290498.db2.gz CUENFALWSCOLHL-MRXNPFEDSA-N 1 1 356.426 3.221 20 5 FGBDMO CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000371120776 499290604 /nfs/dbraw/zinc/29/06/04/499290604.db2.gz CUENFALWSCOLHL-INIZCTEOSA-N 1 1 356.426 3.221 20 5 FGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3noc(C(F)F)n3)CC2)cc1F ZINC000368486793 499300973 /nfs/dbraw/zinc/30/09/73/499300973.db2.gz CZUAISCNOIRFGJ-UHFFFAOYSA-N 1 1 356.304 3.434 20 5 FGBDMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000579313545 506143316 /nfs/dbraw/zinc/14/33/16/506143316.db2.gz YPRVNAHGUABIGN-IBGZPJMESA-N 1 1 364.442 3.405 20 5 FGBDMO Cc1ccc2c(C[N@H+]3CCC[C@H](n4cc([N+](=O)[O-])cn4)C3)cc(=O)oc2c1 ZINC000368998522 499355097 /nfs/dbraw/zinc/35/50/97/499355097.db2.gz ASSKLKWEPOVYML-HNNXBMFYSA-N 1 1 368.393 3.043 20 5 FGBDMO COCc1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000371831585 499369595 /nfs/dbraw/zinc/36/95/95/499369595.db2.gz ZAFVMRZVNGRUGJ-ZTFGCOKTSA-N 1 1 363.458 3.043 20 5 FGBDMO COC[C@H]1CCCC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000372088639 499398001 /nfs/dbraw/zinc/39/80/01/499398001.db2.gz OALLJRFTNLRKOL-STQMWFEESA-N 1 1 369.849 3.324 20 5 FGBDMO COC[C@H]1CCCC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000372088639 499398003 /nfs/dbraw/zinc/39/80/03/499398003.db2.gz OALLJRFTNLRKOL-STQMWFEESA-N 1 1 369.849 3.324 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC(c4ccccn4)CC3)n2)cc1 ZINC000372217754 499410152 /nfs/dbraw/zinc/41/01/52/499410152.db2.gz MOWDTWGICYBJGK-UHFFFAOYSA-N 1 1 365.393 3.419 20 5 FGBDMO C[N@H+]1CC[C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H]1c1cccs1 ZINC000369542293 499414967 /nfs/dbraw/zinc/41/49/67/499414967.db2.gz ZUAKHZRFZPVIGY-BLLLJJGKSA-N 1 1 360.439 3.471 20 5 FGBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3cc(F)cc4cccnc43)C2)c1 ZINC000372279779 499415924 /nfs/dbraw/zinc/41/59/24/499415924.db2.gz AXDFSGWOBATKRE-MRXNPFEDSA-N 1 1 355.373 3.316 20 5 FGBDMO Cc1nn(C)c(N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1[N+](=O)[O-] ZINC000378292931 499498648 /nfs/dbraw/zinc/49/86/48/499498648.db2.gz LNBBCHHGZYRNGJ-UHFFFAOYSA-N 1 1 369.469 3.129 20 5 FGBDMO C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000375477307 499523800 /nfs/dbraw/zinc/52/38/00/499523800.db2.gz ZLKJVSVCRXOAQN-HLAWJBBLSA-N 1 1 369.465 3.301 20 5 FGBDMO CN1CCC[C@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000375477307 499523803 /nfs/dbraw/zinc/52/38/03/499523803.db2.gz ZLKJVSVCRXOAQN-HLAWJBBLSA-N 1 1 369.465 3.301 20 5 FGBDMO C[N@@H+]1CCC[C@H](CNC[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000375477307 499523804 /nfs/dbraw/zinc/52/38/04/499523804.db2.gz ZLKJVSVCRXOAQN-HLAWJBBLSA-N 1 1 369.465 3.301 20 5 FGBDMO C[N@H+]1CCC[C@H](CNC[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000375477307 499523806 /nfs/dbraw/zinc/52/38/06/499523806.db2.gz ZLKJVSVCRXOAQN-HLAWJBBLSA-N 1 1 369.465 3.301 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCCN(C(=O)c2ccco2)CC1 ZINC000378506707 499525386 /nfs/dbraw/zinc/52/53/86/499525386.db2.gz RNPXBJKHYLHWIO-OAHLLOKOSA-N 1 1 357.410 3.405 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCCN(C(=O)c2ccco2)CC1 ZINC000378506707 499525388 /nfs/dbraw/zinc/52/53/88/499525388.db2.gz RNPXBJKHYLHWIO-OAHLLOKOSA-N 1 1 357.410 3.405 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@H]1C[C@H](O)c1cnn(C)c1 ZINC000378507674 499525534 /nfs/dbraw/zinc/52/55/34/499525534.db2.gz MFJHSBAYSFPDMN-QOKNQOGYSA-N 1 1 358.442 3.286 20 5 FGBDMO CC1(C)C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000582173263 506150849 /nfs/dbraw/zinc/15/08/49/506150849.db2.gz SCKMLOVMLSBSCE-CXAGYDPISA-N 1 1 362.451 3.479 20 5 FGBDMO Cn1cc(C[N@H+]2CC[C@H](C3CCOCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000377250270 499673866 /nfs/dbraw/zinc/67/38/66/499673866.db2.gz MWEBNRCCEGDEPL-KRWDZBQOSA-N 1 1 370.453 3.244 20 5 FGBDMO CCOC(=O)c1c(C)[nH]c(C(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1C ZINC000411462276 499743629 /nfs/dbraw/zinc/74/36/29/499743629.db2.gz UJGKSANBWOJLOP-LBPRGKRZSA-N 1 1 373.409 3.250 20 5 FGBDMO CC(C)(O)C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000411478468 499745658 /nfs/dbraw/zinc/74/56/58/499745658.db2.gz KJIMKRIBXHXNCM-UHFFFAOYSA-N 1 1 371.437 3.197 20 5 FGBDMO COc1ccc(C[NH2+]Cc2cccc3c2OC(F)(F)O3)cc1[N+](=O)[O-] ZINC000414308747 499776478 /nfs/dbraw/zinc/77/64/78/499776478.db2.gz TZMJEQDIUOKTTO-UHFFFAOYSA-N 1 1 352.293 3.215 20 5 FGBDMO O=C1C[C@@]2(CC[N@@H+](CCOc3ccccc3[N+](=O)[O-])C2)Oc2ccccc21 ZINC000411988455 499810487 /nfs/dbraw/zinc/81/04/87/499810487.db2.gz QLVQONHIYXKGFY-HXUWFJFHSA-N 1 1 368.389 3.084 20 5 FGBDMO O=C1C[C@@]2(CC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)Oc2ccccc21 ZINC000411988455 499810488 /nfs/dbraw/zinc/81/04/88/499810488.db2.gz QLVQONHIYXKGFY-HXUWFJFHSA-N 1 1 368.389 3.084 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414784560 499830950 /nfs/dbraw/zinc/83/09/50/499830950.db2.gz RLALXGZVHDMBDY-QWHCGFSZSA-N 1 1 355.385 3.018 20 5 FGBDMO CN(c1ccccc1)c1ccc(CNC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414826079 499835114 /nfs/dbraw/zinc/83/51/14/499835114.db2.gz IHESGHTZILHVEG-QGZVFWFLSA-N 1 1 354.454 3.452 20 5 FGBDMO C[N@@H+]1CC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]1c1ccccc1 ZINC000573290824 506162341 /nfs/dbraw/zinc/16/23/41/506162341.db2.gz QGPYLIVZBDIGMP-APWZRJJASA-N 1 1 351.410 3.006 20 5 FGBDMO C[N@H+]1CC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]1c1ccccc1 ZINC000573290824 506162345 /nfs/dbraw/zinc/16/23/45/506162345.db2.gz QGPYLIVZBDIGMP-APWZRJJASA-N 1 1 351.410 3.006 20 5 FGBDMO C[N@@H+]1CC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1c1ccccc1 ZINC000573290827 506162386 /nfs/dbraw/zinc/16/23/86/506162386.db2.gz QGPYLIVZBDIGMP-VQIMIIECSA-N 1 1 351.410 3.006 20 5 FGBDMO C[N@H+]1CC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1c1ccccc1 ZINC000573290827 506162391 /nfs/dbraw/zinc/16/23/91/506162391.db2.gz QGPYLIVZBDIGMP-VQIMIIECSA-N 1 1 351.410 3.006 20 5 FGBDMO CC(C)c1ccc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1[N+](=O)[O-] ZINC000415133657 499868482 /nfs/dbraw/zinc/86/84/82/499868482.db2.gz VJNIVDMIPQLDQG-ICSRJNTNSA-N 1 1 361.486 3.437 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)[C@@H](C)C1 ZINC000413497389 499972405 /nfs/dbraw/zinc/97/24/05/499972405.db2.gz FYSQNDKOYOFHAZ-HOCLYGCPSA-N 1 1 363.458 3.184 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@H](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000421383425 500033623 /nfs/dbraw/zinc/03/36/23/500033623.db2.gz DBOVHLGGTDARHJ-INIZCTEOSA-N 1 1 362.426 3.159 20 5 FGBDMO CSC[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000429289517 500044781 /nfs/dbraw/zinc/04/47/81/500044781.db2.gz BWIOVMIMPAUXFF-CQSZACIVSA-N 1 1 351.472 3.307 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000425420189 500100234 /nfs/dbraw/zinc/10/02/34/500100234.db2.gz KNYWYDZPKAAFGW-GXTWGEPZSA-N 1 1 355.232 3.358 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000425420189 500100237 /nfs/dbraw/zinc/10/02/37/500100237.db2.gz KNYWYDZPKAAFGW-GXTWGEPZSA-N 1 1 355.232 3.358 20 5 FGBDMO CC(C)[N@H+]1CC[C@@H](N(C)Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425472175 500115142 /nfs/dbraw/zinc/11/51/42/500115142.db2.gz GQGFGVMYELHVBH-CQSZACIVSA-N 1 1 356.264 3.272 20 5 FGBDMO CC(C)[N@H+]1CC[C@H](N(C)Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425472173 500115727 /nfs/dbraw/zinc/11/57/27/500115727.db2.gz GQGFGVMYELHVBH-AWEZNQCLSA-N 1 1 356.264 3.272 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425557023 500145984 /nfs/dbraw/zinc/14/59/84/500145984.db2.gz VPBSOOJAUXBRQL-IBGZPJMESA-N 1 1 373.453 3.123 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425557023 500145988 /nfs/dbraw/zinc/14/59/88/500145988.db2.gz VPBSOOJAUXBRQL-IBGZPJMESA-N 1 1 373.453 3.123 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CC3(CCC3)[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000430093446 500191234 /nfs/dbraw/zinc/19/12/34/500191234.db2.gz FGBXLIRUCPRMJP-GOSISDBHSA-N 1 1 362.426 3.157 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000430192964 500206918 /nfs/dbraw/zinc/20/69/18/500206918.db2.gz DXEQAYCHBKYNJW-LJQANCHMSA-N 1 1 356.422 3.475 20 5 FGBDMO CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430211324 500209379 /nfs/dbraw/zinc/20/93/79/500209379.db2.gz XRXOIRYTBOWKFB-HOCLYGCPSA-N 1 1 363.458 3.120 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000430216778 500210802 /nfs/dbraw/zinc/21/08/02/500210802.db2.gz HTOZDNZLCUQJMM-CQSZACIVSA-N 1 1 367.409 3.377 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1CN1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000430217984 500210830 /nfs/dbraw/zinc/21/08/30/500210830.db2.gz JGFBCTJLIFSKLR-UHFFFAOYSA-N 1 1 373.428 3.450 20 5 FGBDMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430227310 500211836 /nfs/dbraw/zinc/21/18/36/500211836.db2.gz QVDSCVJCABKBAX-ZBFHGGJFSA-N 1 1 363.458 3.120 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)cc1OC ZINC000426152717 500241721 /nfs/dbraw/zinc/24/17/21/500241721.db2.gz HPZPFGBLHYXTJB-JJRVBVJISA-N 1 1 366.458 3.231 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](O)[C@H](C)C2)cc1OC ZINC000426152717 500241722 /nfs/dbraw/zinc/24/17/22/500241722.db2.gz HPZPFGBLHYXTJB-JJRVBVJISA-N 1 1 366.458 3.231 20 5 FGBDMO CC(C)(C)c1ccc(C(=O)N2CC[NH2+]C[C@H]2c2ccncc2)cc1[N+](=O)[O-] ZINC000423972957 500427239 /nfs/dbraw/zinc/42/72/39/500427239.db2.gz PZTRBXVJMCDZFI-SFHVURJKSA-N 1 1 368.437 3.074 20 5 FGBDMO COc1ccc([C@@H](C[NH3+])CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000420368938 500449634 /nfs/dbraw/zinc/44/96/34/500449634.db2.gz XAOIDILAYREJPQ-KRWDZBQOSA-N 1 1 355.438 3.310 20 5 FGBDMO O=C(Nc1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424110147 500455319 /nfs/dbraw/zinc/45/53/19/500455319.db2.gz CUQOVBHFWBFJKG-QFBILLFUSA-N 1 1 366.421 3.333 20 5 FGBDMO C[C@]12CCC[N@@H+]1C[C@@H](c1noc([C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)n1)OC2 ZINC000420499766 500467986 /nfs/dbraw/zinc/46/79/86/500467986.db2.gz QRBONAWRPQDKTG-CYJAXWMASA-N 1 1 370.409 3.175 20 5 FGBDMO C[C@]12CCC[N@H+]1C[C@@H](c1noc([C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)n1)OC2 ZINC000420499766 500467988 /nfs/dbraw/zinc/46/79/88/500467988.db2.gz QRBONAWRPQDKTG-CYJAXWMASA-N 1 1 370.409 3.175 20 5 FGBDMO Cc1noc(C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)c2ccccc2)n1 ZINC000428644968 500537063 /nfs/dbraw/zinc/53/70/63/500537063.db2.gz XOSXLTXHNYKQSS-KRWDZBQOSA-N 1 1 356.357 3.499 20 5 FGBDMO O=C1[C@@H]([N@@H+]2CCC[C@H](CC(F)(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000420954140 500539783 /nfs/dbraw/zinc/53/97/83/500539783.db2.gz UKXOMWLCPCKGIE-DOMZBBRYSA-N 1 1 371.359 3.365 20 5 FGBDMO O=C1[C@@H]([N@H+]2CCC[C@H](CC(F)(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000420954140 500539787 /nfs/dbraw/zinc/53/97/87/500539787.db2.gz UKXOMWLCPCKGIE-DOMZBBRYSA-N 1 1 371.359 3.365 20 5 FGBDMO Cc1cccc(C[N@H+](C)[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1C ZINC000428715130 500547814 /nfs/dbraw/zinc/54/78/14/500547814.db2.gz XFNHSAUYTVUSFQ-LJQANCHMSA-N 1 1 353.422 3.449 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@H](c3ccccc3)C2)c1 ZINC000433048640 500613382 /nfs/dbraw/zinc/61/33/82/500613382.db2.gz XWEFFYCLXNOCNN-PKOBYXMFSA-N 1 1 356.422 3.214 20 5 FGBDMO CCc1ccc([C@H]([NH2+]CC2([S@](C)=O)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000442800042 500627859 /nfs/dbraw/zinc/62/78/59/500627859.db2.gz JOENBPFSVISWAY-NSYGIPOTSA-N 1 1 362.451 3.340 20 5 FGBDMO Cc1c[nH+]ccc1OC1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000447675260 500642739 /nfs/dbraw/zinc/64/27/39/500642739.db2.gz LYQWJJVHXJCGHG-UHFFFAOYSA-N 1 1 354.410 3.314 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(=NC[C@H]3CCC[N@@H+](Cc4cccs4)C3)[nH]c2c1 ZINC000447695233 500647497 /nfs/dbraw/zinc/64/74/97/500647497.db2.gz VYQFPCVMJLTRGZ-CYBMUJFWSA-N 1 1 371.466 3.279 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]1c1ccccc1 ZINC000437575781 500662634 /nfs/dbraw/zinc/66/26/34/500662634.db2.gz GPLLTDXKXAUFON-KRWDZBQOSA-N 1 1 355.394 3.379 20 5 FGBDMO NC(=O)c1ccc(C[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)c([N+](=O)[O-])c1 ZINC000433295142 500664092 /nfs/dbraw/zinc/66/40/92/500664092.db2.gz OLXCSPYUCKZOIP-CQSZACIVSA-N 1 1 359.813 3.337 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+]3CC[C@H](O)C(C)(C)C3)o2)c([N+](=O)[O-])c1 ZINC000438337344 500772493 /nfs/dbraw/zinc/77/24/93/500772493.db2.gz YFTVBLRSEHSFNI-SFHVURJKSA-N 1 1 360.410 3.456 20 5 FGBDMO C[C@]1(c2ccccc2)CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000438478302 500790026 /nfs/dbraw/zinc/79/00/26/500790026.db2.gz MBBALEFIDBMUCX-NRFANRHFSA-N 1 1 365.433 3.148 20 5 FGBDMO C[C@@]1(c2ccccc2)CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000438475059 500790328 /nfs/dbraw/zinc/79/03/28/500790328.db2.gz AGARLFKVKRXRHT-OAQYLSRUSA-N 1 1 365.433 3.148 20 5 FGBDMO COc1ccccc1C[C@@H](C)[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000444235662 500822103 /nfs/dbraw/zinc/82/21/03/500822103.db2.gz GTBPMYJOWFZUNG-OAHLLOKOSA-N 1 1 371.437 3.413 20 5 FGBDMO O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000434359559 500831815 /nfs/dbraw/zinc/83/18/15/500831815.db2.gz WPDLWFWVSNEKMV-ZDUSSCGKSA-N 1 1 352.822 3.387 20 5 FGBDMO CSc1ccc(C(=O)NCC[N@H+]2CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000444620002 500868095 /nfs/dbraw/zinc/86/80/95/500868095.db2.gz QYUVDABYQYYOAW-UHFFFAOYSA-N 1 1 351.472 3.169 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCSC(C)(C)CC1 ZINC000434674029 500877208 /nfs/dbraw/zinc/87/72/08/500877208.db2.gz SYMNZPYQXJBVGN-UHFFFAOYSA-N 1 1 351.472 3.449 20 5 FGBDMO CC[C@@H]1CCCC[C@H]1[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000444682017 500878059 /nfs/dbraw/zinc/87/80/59/500878059.db2.gz SFTUWRAUUVDZQR-TZMCWYRMSA-N 1 1 363.414 3.163 20 5 FGBDMO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C1CCN(c2cnccn2)CC1 ZINC000434738949 500886715 /nfs/dbraw/zinc/88/67/15/500886715.db2.gz PTTJOOSSKWRIDB-UHFFFAOYSA-N 1 1 361.833 3.139 20 5 FGBDMO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C1CCN(c2cnccn2)CC1 ZINC000434738949 500886716 /nfs/dbraw/zinc/88/67/16/500886716.db2.gz PTTJOOSSKWRIDB-UHFFFAOYSA-N 1 1 361.833 3.139 20 5 FGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000449055533 500913317 /nfs/dbraw/zinc/91/33/17/500913317.db2.gz VRUDUNZKBOZIKD-AWEZNQCLSA-N 1 1 356.426 3.138 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@H](O)C[C@H]3[C@H]3CCCOC3)o2)cc1 ZINC000449431946 501002173 /nfs/dbraw/zinc/00/21/73/501002173.db2.gz FDXSLRAYTIEGQG-WDYCEAGBSA-N 1 1 372.421 3.217 20 5 FGBDMO CC[N@@H+](Cc1ccc(-c2nc(-c3c([N+](=O)[O-])ncn3C)no2)cc1)C1CC1 ZINC000445575990 501004886 /nfs/dbraw/zinc/00/48/86/501004886.db2.gz HQGLPRUGWZBIKD-UHFFFAOYSA-N 1 1 368.397 3.030 20 5 FGBDMO COCCCn1nccc1C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449500460 501018491 /nfs/dbraw/zinc/01/84/91/501018491.db2.gz NPEQJOHTMZLGPC-QGZVFWFLSA-N 1 1 358.442 3.207 20 5 FGBDMO CCOc1ccccc1C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000440650716 501034641 /nfs/dbraw/zinc/03/46/41/501034641.db2.gz NYMIVZFNNARPED-OAHLLOKOSA-N 1 1 356.426 3.099 20 5 FGBDMO CCOc1ccccc1C[N@H+]1CCN(c2ccc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000440650716 501034643 /nfs/dbraw/zinc/03/46/43/501034643.db2.gz NYMIVZFNNARPED-OAHLLOKOSA-N 1 1 356.426 3.099 20 5 FGBDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(=O)N1c2ccccc2C[C@H]1C ZINC000449644511 501048553 /nfs/dbraw/zinc/04/85/53/501048553.db2.gz FLSGHHFDFHLEST-OLZOCXBDSA-N 1 1 357.385 3.190 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]CC(C)(C)C1(O)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000449737563 501072302 /nfs/dbraw/zinc/07/23/02/501072302.db2.gz SFQKUGDZTVSNOC-QGZVFWFLSA-N 1 1 372.469 3.339 20 5 FGBDMO O=C(C[N@@H+]1CCC[C@H](Cc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000436130193 501075316 /nfs/dbraw/zinc/07/53/16/501075316.db2.gz NIBZDSSFMZOQST-QGZVFWFLSA-N 1 1 353.422 3.488 20 5 FGBDMO O=C(C[N@H+]1CCC[C@H](Cc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000436130193 501075319 /nfs/dbraw/zinc/07/53/19/501075319.db2.gz NIBZDSSFMZOQST-QGZVFWFLSA-N 1 1 353.422 3.488 20 5 FGBDMO CCNc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)cc1[N+](=O)[O-] ZINC000441119862 501090405 /nfs/dbraw/zinc/09/04/05/501090405.db2.gz WATVJJJNCPFDBE-MRXNPFEDSA-N 1 1 360.458 3.021 20 5 FGBDMO CC[N@@H+](CCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)C1CC1 ZINC000436315182 501106087 /nfs/dbraw/zinc/10/60/87/501106087.db2.gz DTJAKVBMWLXPQF-UHFFFAOYSA-N 1 1 367.424 3.035 20 5 FGBDMO Cc1nc(N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)ncc1[N+](=O)[O-] ZINC000450402187 501113047 /nfs/dbraw/zinc/11/30/47/501113047.db2.gz IPAAZHOMFRHXCE-ZFWWWQNUSA-N 1 1 365.796 3.343 20 5 FGBDMO Cc1nc(N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)ncc1[N+](=O)[O-] ZINC000450402187 501113051 /nfs/dbraw/zinc/11/30/51/501113051.db2.gz IPAAZHOMFRHXCE-ZFWWWQNUSA-N 1 1 365.796 3.343 20 5 FGBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000436398163 501119746 /nfs/dbraw/zinc/11/97/46/501119746.db2.gz CNTVEYBVWIHCKH-GFCCVEGCSA-N 1 1 358.364 3.177 20 5 FGBDMO CCO[C@H]1C[C@@H]([N@@H+](C)CCOc2ccc(OC)cc2[N+](=O)[O-])C1(C)C ZINC000441438261 501139302 /nfs/dbraw/zinc/13/93/02/501139302.db2.gz JAFIMRCUWCGBFL-SJORKVTESA-N 1 1 352.431 3.118 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000447077612 501202411 /nfs/dbraw/zinc/20/24/11/501202411.db2.gz OAVCYYPFRSCQBN-MSOLQXFVSA-N 1 1 355.438 3.198 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H](CO)c1ccc(Cl)cc1 ZINC000451328813 501266760 /nfs/dbraw/zinc/26/67/60/501266760.db2.gz IVMSKRBULGUXSE-MRXNPFEDSA-N 1 1 350.802 3.422 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H](CO)c1ccc(Cl)cc1 ZINC000451328813 501266761 /nfs/dbraw/zinc/26/67/61/501266761.db2.gz IVMSKRBULGUXSE-MRXNPFEDSA-N 1 1 350.802 3.422 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCn1c[nH+]c2c1C[C@@H](C)[C@H](C)C2 ZINC000451345864 501271217 /nfs/dbraw/zinc/27/12/17/501271217.db2.gz SVDZOQWSHDVGMB-CHWSQXEVSA-N 1 1 356.426 3.499 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3[C@@H]3CCC[C@@H]3O)co2)cc1 ZINC000451421243 501288962 /nfs/dbraw/zinc/28/89/62/501288962.db2.gz OCIMCIVGMOVEAX-KSZLIROESA-N 1 1 357.410 3.375 20 5 FGBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000451543779 501318075 /nfs/dbraw/zinc/31/80/75/501318075.db2.gz CSGIDKIWZSAAKP-MRXNPFEDSA-N 1 1 369.421 3.422 20 5 FGBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000451543779 501318076 /nfs/dbraw/zinc/31/80/76/501318076.db2.gz CSGIDKIWZSAAKP-MRXNPFEDSA-N 1 1 369.421 3.422 20 5 FGBDMO CCc1ccc([C@H]([NH2+]C[C@@]2(C)CCC(=O)N2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000453425135 501329014 /nfs/dbraw/zinc/32/90/14/501329014.db2.gz ODIZNWZFOPHQMN-RTBURBONSA-N 1 1 357.410 3.098 20 5 FGBDMO O=C(C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)NCc1cccs1 ZINC000451579831 501329370 /nfs/dbraw/zinc/32/93/70/501329370.db2.gz ZCVOZJMRSOJOND-HNNXBMFYSA-N 1 1 359.451 3.152 20 5 FGBDMO O=C(C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)NCc1cccs1 ZINC000451579831 501329373 /nfs/dbraw/zinc/32/93/73/501329373.db2.gz ZCVOZJMRSOJOND-HNNXBMFYSA-N 1 1 359.451 3.152 20 5 FGBDMO C[C@H](C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1)c1cc(F)cc(F)c1 ZINC000453574396 501350864 /nfs/dbraw/zinc/35/08/64/501350864.db2.gz JCBZOAWMHAQQKD-CYBMUJFWSA-N 1 1 362.380 3.194 20 5 FGBDMO COc1ccc(C[N@H+]2CC[C@@](C)(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000453619007 501363750 /nfs/dbraw/zinc/36/37/50/501363750.db2.gz JCIOOGHSUMOTIX-GOSISDBHSA-N 1 1 350.415 3.157 20 5 FGBDMO C[N@H+]1CCC[C@@H](CCNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000458187062 501387175 /nfs/dbraw/zinc/38/71/75/501387175.db2.gz HSXHCBQVJRKYQX-LBPRGKRZSA-N 1 1 371.890 3.188 20 5 FGBDMO CO[C@H]1C[C@@H]([N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C12CCC2 ZINC000451859540 501387176 /nfs/dbraw/zinc/38/71/76/501387176.db2.gz WJPVUOCYPMMTFG-CABCVRRESA-N 1 1 358.398 3.034 20 5 FGBDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C12CCC2 ZINC000451859540 501387179 /nfs/dbraw/zinc/38/71/79/501387179.db2.gz WJPVUOCYPMMTFG-CABCVRRESA-N 1 1 358.398 3.034 20 5 FGBDMO CO[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000451862939 501388066 /nfs/dbraw/zinc/38/80/66/501388066.db2.gz YKQUNGYNDXIADE-CABCVRRESA-N 1 1 367.833 3.076 20 5 FGBDMO CO[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000451862939 501388069 /nfs/dbraw/zinc/38/80/69/501388069.db2.gz YKQUNGYNDXIADE-CABCVRRESA-N 1 1 367.833 3.076 20 5 FGBDMO C[C@]12C[N@@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000452044497 501424094 /nfs/dbraw/zinc/42/40/94/501424094.db2.gz IYHSPEAZFHKFPO-FKEXNYPISA-N 1 1 371.437 3.261 20 5 FGBDMO Cc1ccc([C@@H](C)NC(=O)N2CC[N@H+](C3CC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000458523354 501465482 /nfs/dbraw/zinc/46/54/82/501465482.db2.gz WBJACDANDBQQHD-DZGCQCFKSA-N 1 1 360.458 3.090 20 5 FGBDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000456348008 501505839 /nfs/dbraw/zinc/50/58/39/501505839.db2.gz KAYOGZSWKOVRRW-AWEZNQCLSA-N 1 1 374.466 3.275 20 5 FGBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000456348008 501505841 /nfs/dbraw/zinc/50/58/41/501505841.db2.gz KAYOGZSWKOVRRW-AWEZNQCLSA-N 1 1 374.466 3.275 20 5 FGBDMO O=C([C@H]1CCCc2[nH+]ccn21)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452863601 501576581 /nfs/dbraw/zinc/57/65/81/501576581.db2.gz VNLLGWHZCLKQCH-DOTOQJQBSA-N 1 1 354.410 3.075 20 5 FGBDMO C[N@H+]1CCC[C@@H](CCNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000459246529 501618623 /nfs/dbraw/zinc/61/86/23/501618623.db2.gz CBEDWFZZJOBXKH-HNNXBMFYSA-N 1 1 360.458 3.001 20 5 FGBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000457087550 501648043 /nfs/dbraw/zinc/64/80/43/501648043.db2.gz PZBMKQAZCZVBCA-HIFRSBDPSA-N 1 1 351.472 3.017 20 5 FGBDMO CC(C)[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000470671482 501761686 /nfs/dbraw/zinc/76/16/86/501761686.db2.gz TYPVOAKBWZSMRO-ZIAGYGMSSA-N 1 1 351.472 3.064 20 5 FGBDMO CN(C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474329649 501793158 /nfs/dbraw/zinc/79/31/58/501793158.db2.gz MINHVCPDQFOMAI-SFHVURJKSA-N 1 1 354.410 3.333 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+](CCO)CC3CCCCC3)n2)cc1 ZINC000485891233 501978838 /nfs/dbraw/zinc/97/88/38/501978838.db2.gz BJYQNDIFTQTTBA-UHFFFAOYSA-N 1 1 360.414 3.019 20 5 FGBDMO COc1cc(C[NH2+][C@@H](c2cnn(C)c2)C(C)(C)C)c([N+](=O)[O-])cc1F ZINC000464478472 502001253 /nfs/dbraw/zinc/00/12/53/502001253.db2.gz FRZHFDNHTHYXFB-INIZCTEOSA-N 1 1 350.394 3.353 20 5 FGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000468458292 502063335 /nfs/dbraw/zinc/06/33/35/502063335.db2.gz IEFNXCWRACVKCR-CZUORRHYSA-N 1 1 365.499 3.312 20 5 FGBDMO C[C@H](C(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000592882509 506291246 /nfs/dbraw/zinc/29/12/46/506291246.db2.gz VOGCDITXHSYIPI-CVAIRZPRSA-N 1 1 367.449 3.160 20 5 FGBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000468487354 502077107 /nfs/dbraw/zinc/07/71/07/502077107.db2.gz HWPZFGMTEZTKNJ-INIZCTEOSA-N 1 1 365.449 3.248 20 5 FGBDMO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000482493100 502086204 /nfs/dbraw/zinc/08/62/04/502086204.db2.gz FIMYWWHRILZUPC-HZPDHXFCSA-N 1 1 364.442 3.261 20 5 FGBDMO COc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000482787666 502180926 /nfs/dbraw/zinc/18/09/26/502180926.db2.gz MCNSEIGTPDNUBJ-CQSZACIVSA-N 1 1 362.817 3.338 20 5 FGBDMO COc1cc(Cl)ccc1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000482787666 502180929 /nfs/dbraw/zinc/18/09/29/502180929.db2.gz MCNSEIGTPDNUBJ-CQSZACIVSA-N 1 1 362.817 3.338 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000475572068 502216819 /nfs/dbraw/zinc/21/68/19/502216819.db2.gz XLPWQMLBQRSECE-UHFFFAOYSA-N 1 1 356.426 3.465 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+]2C[C@@H](C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000475702859 502258478 /nfs/dbraw/zinc/25/84/78/502258478.db2.gz OEZBQLYQIVAQPR-VLIAUNLRSA-N 1 1 370.405 3.340 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2C[C@@H](C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000475702859 502258485 /nfs/dbraw/zinc/25/84/85/502258485.db2.gz OEZBQLYQIVAQPR-VLIAUNLRSA-N 1 1 370.405 3.340 20 5 FGBDMO CN(C(=O)C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000483097894 502270933 /nfs/dbraw/zinc/27/09/33/502270933.db2.gz BCVCLPCOFXOBDH-HNNXBMFYSA-N 1 1 357.385 3.186 20 5 FGBDMO CN(C(=O)C[N@H+]1CC[C@H](c2ccc(F)cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000483097894 502270935 /nfs/dbraw/zinc/27/09/35/502270935.db2.gz BCVCLPCOFXOBDH-HNNXBMFYSA-N 1 1 357.385 3.186 20 5 FGBDMO Cc1ncc(CNC(=O)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)s1 ZINC000602798485 506304405 /nfs/dbraw/zinc/30/44/05/506304405.db2.gz KRMNUPACHYOPEV-UHFFFAOYSA-N 1 1 374.466 3.031 20 5 FGBDMO CCCN(Cc1c([N+](=O)[O-])ncn1C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000475862330 502312394 /nfs/dbraw/zinc/31/23/94/502312394.db2.gz BLTLSIZUWMWVCM-SFHVURJKSA-N 1 1 371.485 3.205 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)C1CC1 ZINC000596199924 506306255 /nfs/dbraw/zinc/30/62/55/506306255.db2.gz KRDLNWPNGZOKNA-LJQANCHMSA-N 1 1 368.437 3.016 20 5 FGBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000486980004 502322474 /nfs/dbraw/zinc/32/24/74/502322474.db2.gz LFKWOWWSHNKAQT-CYBMUJFWSA-N 1 1 369.412 3.042 20 5 FGBDMO Cc1c([C@@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)s2)cccc1[N+](=O)[O-] ZINC000469310308 502370882 /nfs/dbraw/zinc/37/08/82/502370882.db2.gz MTPBFXANQRFEDK-LLVKDONJSA-N 1 1 354.453 3.219 20 5 FGBDMO Cn1ccnc1[C@H](NC[C@@H]1CC[N@H+]1C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000599073529 506310049 /nfs/dbraw/zinc/31/00/49/506310049.db2.gz IHYSTLKCTJWSFY-RBUKOAKNSA-N 1 1 369.469 3.024 20 5 FGBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000465871955 502408829 /nfs/dbraw/zinc/40/88/29/502408829.db2.gz NWEBPPBNHQXTFP-KRWDZBQOSA-N 1 1 362.474 3.091 20 5 FGBDMO CCC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@@H](C)C(=O)Nc1ccccc1C ZINC000602821964 506313331 /nfs/dbraw/zinc/31/33/31/506313331.db2.gz PZCUQCCADONDMN-HNNXBMFYSA-N 1 1 373.457 3.147 20 5 FGBDMO C[C@H](c1ccsc1)[NH+]1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000462452847 502444643 /nfs/dbraw/zinc/44/46/43/502444643.db2.gz QBQWNKYOYWQZMD-OAHLLOKOSA-N 1 1 361.467 3.414 20 5 FGBDMO CC(C)[N@@H+](C)CCCNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000462494562 502464059 /nfs/dbraw/zinc/46/40/59/502464059.db2.gz YWVURTMQIARWSV-UHFFFAOYSA-N 1 1 358.442 3.133 20 5 FGBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000480171439 502489650 /nfs/dbraw/zinc/48/96/50/502489650.db2.gz QSHQPYWFMPTRRV-QGZVFWFLSA-N 1 1 357.458 3.442 20 5 FGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)c(F)c1 ZINC000473067433 502512704 /nfs/dbraw/zinc/51/27/04/502512704.db2.gz ALSQYBDAKAWIJB-UHFFFAOYSA-N 1 1 362.376 3.443 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(c2ccc(Br)cc2)CCC1 ZINC000476664510 502555671 /nfs/dbraw/zinc/55/56/71/502555671.db2.gz RQMJIHBHWWXJGD-UHFFFAOYSA-N 1 1 365.231 3.260 20 5 FGBDMO Cc1ccc(C(=O)CC[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000480496179 502582968 /nfs/dbraw/zinc/58/29/68/502582968.db2.gz DFWGGYRGPRCXDH-UHFFFAOYSA-N 1 1 353.422 3.298 20 5 FGBDMO Cc1cc(F)ccc1C[N@@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000488059591 502614632 /nfs/dbraw/zinc/61/46/32/502614632.db2.gz GOPJKPFQVYDWAN-GOSISDBHSA-N 1 1 357.385 3.280 20 5 FGBDMO Cc1cc(F)ccc1C[N@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000488059591 502614636 /nfs/dbraw/zinc/61/46/36/502614636.db2.gz GOPJKPFQVYDWAN-GOSISDBHSA-N 1 1 357.385 3.280 20 5 FGBDMO C[C@H]1[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000484333782 502626932 /nfs/dbraw/zinc/62/69/32/502626932.db2.gz BBCFZTQAFMRXCW-KXBFYZLASA-N 1 1 368.437 3.057 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](c3cccnc3)C2)c1 ZINC000602853613 506327545 /nfs/dbraw/zinc/32/75/45/506327545.db2.gz JKJQJWKPKVPTRG-MRXNPFEDSA-N 1 1 355.394 3.156 20 5 FGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000470171045 502691622 /nfs/dbraw/zinc/69/16/22/502691622.db2.gz DTWFVTTYMCKLHM-NUVSWBFWSA-N 1 1 372.513 3.100 20 5 FGBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488714704 502787640 /nfs/dbraw/zinc/78/76/40/502787640.db2.gz FYZWOVKBYONPEF-QJPTWQEYSA-N 1 1 358.364 3.175 20 5 FGBDMO O=C(CC[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000463421381 502793187 /nfs/dbraw/zinc/79/31/87/502793187.db2.gz ZFCQVWDYZOCJDI-UHFFFAOYSA-N 1 1 367.405 3.176 20 5 FGBDMO COC(=O)c1cc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)cc(C)c1[N+](=O)[O-] ZINC000488739418 502798406 /nfs/dbraw/zinc/79/84/06/502798406.db2.gz WCMUFKYMADSCFM-ZDUSSCGKSA-N 1 1 361.442 3.000 20 5 FGBDMO CC(C)NC(=O)c1ccc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000488760710 502805997 /nfs/dbraw/zinc/80/59/97/502805997.db2.gz AIVQBNKIDRMRNN-OAHLLOKOSA-N 1 1 374.485 3.044 20 5 FGBDMO O=C(NCC[NH+]1CCC1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000495448728 502840801 /nfs/dbraw/zinc/84/08/01/502840801.db2.gz VCKGCQHVJICTQG-UHFFFAOYSA-N 1 1 357.435 3.182 20 5 FGBDMO CCCN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000505028681 502841505 /nfs/dbraw/zinc/84/15/05/502841505.db2.gz IBLQPXVDSUEGBM-QGZVFWFLSA-N 1 1 370.453 3.440 20 5 FGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H](Oc3ncccc3F)C2)cc1 ZINC000489049855 502868277 /nfs/dbraw/zinc/86/82/77/502868277.db2.gz YIPHRCIGIRIUAJ-INIZCTEOSA-N 1 1 361.373 3.051 20 5 FGBDMO COc1ccc(C[N@@H+]2CC[C@H]2CNc2ccc([N+](=O)[O-])c(C(C)=O)c2)cc1 ZINC000599138364 506339296 /nfs/dbraw/zinc/33/92/96/506339296.db2.gz ALOYKYLNQNGSQF-KRWDZBQOSA-N 1 1 369.421 3.492 20 5 FGBDMO COc1ccc(C[N@H+]2CC[C@H]2CNc2ccc([N+](=O)[O-])c(C(C)=O)c2)cc1 ZINC000599138364 506339303 /nfs/dbraw/zinc/33/93/03/506339303.db2.gz ALOYKYLNQNGSQF-KRWDZBQOSA-N 1 1 369.421 3.492 20 5 FGBDMO CC(C)[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(=O)N1CCCCCC1 ZINC000513267388 502892743 /nfs/dbraw/zinc/89/27/43/502892743.db2.gz QGVSJXWECMRPQU-UHFFFAOYSA-N 1 1 363.458 3.087 20 5 FGBDMO CC(C)(NC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000489203994 502900627 /nfs/dbraw/zinc/90/06/27/502900627.db2.gz KOURQKLXCNAQMQ-AWEZNQCLSA-N 1 1 360.458 3.146 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](Cc2ccccc2)[C@@H](C)CCO)c1 ZINC000593021306 506340790 /nfs/dbraw/zinc/34/07/90/506340790.db2.gz UVQBXOVDJNWYBJ-HNNXBMFYSA-N 1 1 372.421 3.155 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](Cc2ccccc2)[C@@H](C)CCO)c1 ZINC000593021306 506340794 /nfs/dbraw/zinc/34/07/94/506340794.db2.gz UVQBXOVDJNWYBJ-HNNXBMFYSA-N 1 1 372.421 3.155 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000489451797 502962712 /nfs/dbraw/zinc/96/27/12/502962712.db2.gz SJZZWRMKYPGVSV-NYCLONFESA-N 1 1 374.485 3.336 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC=C(c3cccnc3)C2)c1 ZINC000593028262 506346259 /nfs/dbraw/zinc/34/62/59/506346259.db2.gz DXFJOBIBOHMFKS-UHFFFAOYSA-N 1 1 353.378 3.066 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC=C(c3cccnc3)C2)c1 ZINC000593028262 506346269 /nfs/dbraw/zinc/34/62/69/506346269.db2.gz DXFJOBIBOHMFKS-UHFFFAOYSA-N 1 1 353.378 3.066 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000501459517 503013702 /nfs/dbraw/zinc/01/37/02/503013702.db2.gz UGJSZQHOJWLAPO-OLZOCXBDSA-N 1 1 351.472 3.167 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](Cc1ccccc1Cl)CC1CC1 ZINC000510201657 503069704 /nfs/dbraw/zinc/06/97/04/503069704.db2.gz VLXVPRBLKNCJKB-UHFFFAOYSA-N 1 1 361.829 3.322 20 5 FGBDMO COc1ccccc1[C@H]1CC[C@H](C)C[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000510243187 503078317 /nfs/dbraw/zinc/07/83/17/503078317.db2.gz OBLVFTQAGHEJIK-MAUKXSAKSA-N 1 1 371.437 3.238 20 5 FGBDMO COc1ccc(CC[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000514106499 503090145 /nfs/dbraw/zinc/09/01/45/503090145.db2.gz YVZZQDRAQUYSDI-IBGZPJMESA-N 1 1 366.421 3.259 20 5 FGBDMO COc1ccc(C[N@H+]2CC[C@@H](n3ncc4ccccc43)C2)cc1[N+](=O)[O-] ZINC000510405909 503107379 /nfs/dbraw/zinc/10/73/79/503107379.db2.gz ISSQAROSBBPKHA-MRXNPFEDSA-N 1 1 352.394 3.400 20 5 FGBDMO CC[N@@H+]1CCO[C@@H](C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000498268325 503146942 /nfs/dbraw/zinc/14/69/42/503146942.db2.gz UCJXMFWAIZWHNI-GOSISDBHSA-N 1 1 371.393 3.046 20 5 FGBDMO CC[N@H+]1CCO[C@@H](C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000498268325 503146947 /nfs/dbraw/zinc/14/69/47/503146947.db2.gz UCJXMFWAIZWHNI-GOSISDBHSA-N 1 1 371.393 3.046 20 5 FGBDMO C[C@@H](C(=O)NCCC1=CCCCC1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511072545 503247073 /nfs/dbraw/zinc/24/70/73/503247073.db2.gz FQTAHFUGWRYPFW-INIZCTEOSA-N 1 1 359.470 3.464 20 5 FGBDMO C[C@@H](C(=O)NCCC1=CCCCC1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511072545 503247077 /nfs/dbraw/zinc/24/70/77/503247077.db2.gz FQTAHFUGWRYPFW-INIZCTEOSA-N 1 1 359.470 3.464 20 5 FGBDMO CCc1ccc(CN(C)C(=O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000511074326 503247983 /nfs/dbraw/zinc/24/79/83/503247983.db2.gz OOWUSCSMTUROMU-UHFFFAOYSA-N 1 1 369.465 3.290 20 5 FGBDMO CCc1ccc(CN(C)C(=O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000511074326 503247987 /nfs/dbraw/zinc/24/79/87/503247987.db2.gz OOWUSCSMTUROMU-UHFFFAOYSA-N 1 1 369.465 3.290 20 5 FGBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccc2c(c1)CCC2 ZINC000511139076 503267434 /nfs/dbraw/zinc/26/74/34/503267434.db2.gz GXJATOTUULJOAB-UHFFFAOYSA-N 1 1 353.422 3.197 20 5 FGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccc2c(c1)CCC2 ZINC000511139076 503267436 /nfs/dbraw/zinc/26/74/36/503267436.db2.gz GXJATOTUULJOAB-UHFFFAOYSA-N 1 1 353.422 3.197 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNc2c([N+](=O)[O-])ncn2C)C1 ZINC000515480168 503347417 /nfs/dbraw/zinc/34/74/17/503347417.db2.gz JGQNMLSDRLPXED-GASCZTMLSA-N 1 1 357.458 3.418 20 5 FGBDMO COc1cc(C[N@H+](C)C[C@@H]2OCCc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000511623640 503355915 /nfs/dbraw/zinc/35/59/15/503355915.db2.gz HIEIMQXGPLYVQJ-FQEVSTJZSA-N 1 1 372.421 3.358 20 5 FGBDMO COc1cc(C[N@@H+](C)C[C@@H]2OCCc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000511623640 503355919 /nfs/dbraw/zinc/35/59/19/503355919.db2.gz HIEIMQXGPLYVQJ-FQEVSTJZSA-N 1 1 372.421 3.358 20 5 FGBDMO Cc1ncc([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000602958415 506366747 /nfs/dbraw/zinc/36/67/47/506366747.db2.gz XMGWAFYFOMWRCZ-QMMMGPOBSA-N 1 1 354.819 3.302 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000511674164 503367535 /nfs/dbraw/zinc/36/75/35/503367535.db2.gz JSAUQPBUNXNSDA-CYBMUJFWSA-N 1 1 369.347 3.034 20 5 FGBDMO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)c1ccc(F)c(F)c1 ZINC000492947182 503396061 /nfs/dbraw/zinc/39/60/61/503396061.db2.gz AHDIDQFZTQOVHV-HNNXBMFYSA-N 1 1 352.337 3.359 20 5 FGBDMO Cc1sc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000494058022 503481005 /nfs/dbraw/zinc/48/10/05/503481005.db2.gz DXPWIQYOQAQYOX-IUODEOHRSA-N 1 1 359.451 3.358 20 5 FGBDMO CSc1ccc(C(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000512399498 503537566 /nfs/dbraw/zinc/53/75/66/503537566.db2.gz KCPOYASDVVLWOV-UHFFFAOYSA-N 1 1 371.462 3.273 20 5 FGBDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000512464358 503560764 /nfs/dbraw/zinc/56/07/64/503560764.db2.gz WUFBKOMDOGEJMX-UKRRQHHQSA-N 1 1 360.414 3.160 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@]3(CCCOC3)C2)c([N+](=O)[O-])cc1OC ZINC000536662133 503666881 /nfs/dbraw/zinc/66/68/81/503666881.db2.gz NTRJJTKDXWJGRG-SFHVURJKSA-N 1 1 350.415 3.005 20 5 FGBDMO C[N@H+](CCc1ccccc1O)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000543250333 503699149 /nfs/dbraw/zinc/69/91/49/503699149.db2.gz BTPILLJEGFHGJV-UHFFFAOYSA-N 1 1 354.366 3.025 20 5 FGBDMO C[N@@H+](CCc1ccccc1O)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000543250333 503699151 /nfs/dbraw/zinc/69/91/51/503699151.db2.gz BTPILLJEGFHGJV-UHFFFAOYSA-N 1 1 354.366 3.025 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000543257663 503701729 /nfs/dbraw/zinc/70/17/29/503701729.db2.gz SOBPKSYYPKYFSO-LBPRGKRZSA-N 1 1 371.890 3.331 20 5 FGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000533053938 503714805 /nfs/dbraw/zinc/71/48/05/503714805.db2.gz SIVRLXCPJIZCHZ-JTDSTZFVSA-N 1 1 374.485 3.261 20 5 FGBDMO CCc1ccc([C@H]([NH2+][C@H](C)C[S@](C)=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543418591 503761954 /nfs/dbraw/zinc/76/19/54/503761954.db2.gz IVNQHCWQGJASAV-FWXBFDHOSA-N 1 1 350.440 3.196 20 5 FGBDMO COc1ccccc1[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000533288447 503793649 /nfs/dbraw/zinc/79/36/49/503793649.db2.gz JIKVYHKXQYYIMK-GJZGRUSLSA-N 1 1 369.421 3.420 20 5 FGBDMO COc1ccccc1[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000533288447 503793655 /nfs/dbraw/zinc/79/36/55/503793655.db2.gz JIKVYHKXQYYIMK-GJZGRUSLSA-N 1 1 369.421 3.420 20 5 FGBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000543640404 503837580 /nfs/dbraw/zinc/83/75/80/503837580.db2.gz FVYFEAWPMUABNO-XQQFMLRXSA-N 1 1 352.410 3.222 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[N@@H+](C)C[C@H]2C)cc1OC ZINC000543844813 503913354 /nfs/dbraw/zinc/91/33/54/503913354.db2.gz AVKJKGHYVCLNEM-LSDHHAIUSA-N 1 1 365.474 3.164 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000533818140 503961993 /nfs/dbraw/zinc/96/19/93/503961993.db2.gz CBQAHHBRVKSMTO-KBXCAEBGSA-N 1 1 368.437 3.450 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000533818140 503962002 /nfs/dbraw/zinc/96/20/02/503962002.db2.gz CBQAHHBRVKSMTO-KBXCAEBGSA-N 1 1 368.437 3.450 20 5 FGBDMO C[C@@H]1C[N@H+](C[C@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000541069017 503994044 /nfs/dbraw/zinc/99/40/44/503994044.db2.gz QQVOJMWOGLXWII-JKIFEVAISA-N 1 1 367.877 3.322 20 5 FGBDMO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000541069017 503994055 /nfs/dbraw/zinc/99/40/55/503994055.db2.gz QQVOJMWOGLXWII-JKIFEVAISA-N 1 1 367.877 3.322 20 5 FGBDMO C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000541069017 503994059 /nfs/dbraw/zinc/99/40/59/503994059.db2.gz QQVOJMWOGLXWII-JKIFEVAISA-N 1 1 367.877 3.322 20 5 FGBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000518832784 504075002 /nfs/dbraw/zinc/07/50/02/504075002.db2.gz JQBXOZPBAODRKS-OLZOCXBDSA-N 1 1 369.849 3.006 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534244819 504081771 /nfs/dbraw/zinc/08/17/71/504081771.db2.gz POCOWEVIVZIPOE-RISCZKNCSA-N 1 1 367.812 3.226 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534244819 504081776 /nfs/dbraw/zinc/08/17/76/504081776.db2.gz POCOWEVIVZIPOE-RISCZKNCSA-N 1 1 367.812 3.226 20 5 FGBDMO COCC[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc([N+](=O)[O-])cc1C ZINC000544612577 504191263 /nfs/dbraw/zinc/19/12/63/504191263.db2.gz IAFCFPMTBXZKAA-UHFFFAOYSA-N 1 1 358.394 3.281 20 5 FGBDMO COCC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccc([N+](=O)[O-])cc1C ZINC000544612577 504191266 /nfs/dbraw/zinc/19/12/66/504191266.db2.gz IAFCFPMTBXZKAA-UHFFFAOYSA-N 1 1 358.394 3.281 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccccc1 ZINC000544623696 504195125 /nfs/dbraw/zinc/19/51/25/504195125.db2.gz BKHBACRKOCZFSH-IAGOWNOFSA-N 1 1 358.373 3.301 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)c1 ZINC000538401381 504235370 /nfs/dbraw/zinc/23/53/70/504235370.db2.gz YAIXVPQHWIXPSI-HOTGVXAUSA-N 1 1 363.458 3.051 20 5 FGBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@]3(CC[C@H](C)C3)C2)c([N+](=O)[O-])c1 ZINC000541951827 504312343 /nfs/dbraw/zinc/31/23/43/504312343.db2.gz KVONSNBUNDKDCJ-LIRRHRJNSA-N 1 1 361.442 3.444 20 5 FGBDMO CC(=O)N1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)[C@H](C)C1 ZINC000538727744 504346481 /nfs/dbraw/zinc/34/64/81/504346481.db2.gz TVVZGPDRNYFAPP-CYBMUJFWSA-N 1 1 359.451 3.376 20 5 FGBDMO CC(=O)N1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)[C@H](C)C1 ZINC000538727744 504346486 /nfs/dbraw/zinc/34/64/86/504346486.db2.gz TVVZGPDRNYFAPP-CYBMUJFWSA-N 1 1 359.451 3.376 20 5 FGBDMO CN1Cc2ccccc2[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000535266406 504388419 /nfs/dbraw/zinc/38/84/19/504388419.db2.gz RCOFXWLOMMPUKG-MRXNPFEDSA-N 1 1 363.364 3.473 20 5 FGBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(-n3cncn3)c(F)c2)c(Cl)c1 ZINC000545220691 504402453 /nfs/dbraw/zinc/40/24/53/504402453.db2.gz XJJNNBQXYQVALF-UHFFFAOYSA-N 1 1 361.764 3.258 20 5 FGBDMO Cc1ccccc1[C@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000542279510 504436053 /nfs/dbraw/zinc/43/60/53/504436053.db2.gz HDLJIXWOFWJYJS-IRXDYDNUSA-N 1 1 356.422 3.132 20 5 FGBDMO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000542278703 504436648 /nfs/dbraw/zinc/43/66/48/504436648.db2.gz IHAKYGQAZKEXTO-BHIYHBOVSA-N 1 1 370.449 3.288 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000535466927 504442680 /nfs/dbraw/zinc/44/26/80/504442680.db2.gz ADJLBLAWRAWPAD-MOPGFXCFSA-N 1 1 367.449 3.434 20 5 FGBDMO Cc1cccc([C@H]2CC[N@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)c1 ZINC000542318792 504448990 /nfs/dbraw/zinc/44/89/90/504448990.db2.gz FNMFBIGAPBHKHS-FXAWDEMLSA-N 1 1 365.433 3.498 20 5 FGBDMO Cc1ccc([C@H]2CC[N@@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000542320598 504450195 /nfs/dbraw/zinc/45/01/95/504450195.db2.gz RDUAXIGTCWQAIT-HKUYNNGSSA-N 1 1 356.422 3.132 20 5 FGBDMO Cc1ccc([C@@H]2CC[N@@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000542320600 504450346 /nfs/dbraw/zinc/45/03/46/504450346.db2.gz RDUAXIGTCWQAIT-MJGOQNOKSA-N 1 1 356.422 3.132 20 5 FGBDMO Cc1cccc([C@H]2CC[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)c1 ZINC000542322350 504450912 /nfs/dbraw/zinc/45/09/12/504450912.db2.gz ULDPWNZICYSKLP-ZWKOTPCHSA-N 1 1 356.422 3.132 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@]2(C)CO)cc1OC ZINC000545397664 504472846 /nfs/dbraw/zinc/47/28/46/504472846.db2.gz RZALWDPALIVQEQ-LIRRHRJNSA-N 1 1 366.458 3.375 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000532184086 504566348 /nfs/dbraw/zinc/56/63/48/504566348.db2.gz SLMONNRWQWJJJG-OAHLLOKOSA-N 1 1 362.474 3.050 20 5 FGBDMO COc1ccccc1NC(=O)[C@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000548928289 504623968 /nfs/dbraw/zinc/62/39/68/504623968.db2.gz NQAJXYORPMRWOO-AWEZNQCLSA-N 1 1 357.410 3.105 20 5 FGBDMO COc1ccccc1NC(=O)[C@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000548928289 504623970 /nfs/dbraw/zinc/62/39/70/504623970.db2.gz NQAJXYORPMRWOO-AWEZNQCLSA-N 1 1 357.410 3.105 20 5 FGBDMO CC(C)C[N@H+](Cc1ccccc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000521194402 504674164 /nfs/dbraw/zinc/67/41/64/504674164.db2.gz OUHQRVNQWXFZPW-LJQANCHMSA-N 1 1 358.438 3.493 20 5 FGBDMO C[N@@H+](CCC(=O)N1CCc2ccccc21)CCc1cccc([N+](=O)[O-])c1 ZINC000549156395 504706581 /nfs/dbraw/zinc/70/65/81/504706581.db2.gz CYJAJXIQNBPQSU-UHFFFAOYSA-N 1 1 353.422 3.049 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]2c2ccccn2)cccc1[N+](=O)[O-] ZINC000532650638 504725448 /nfs/dbraw/zinc/72/54/48/504725448.db2.gz LVGPXYNDQDXHKK-GOSISDBHSA-N 1 1 354.410 3.464 20 5 FGBDMO O=C(Nc1ccccc1)[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000532769326 504754807 /nfs/dbraw/zinc/75/48/07/504754807.db2.gz MBIRTJANUWKOON-INIZCTEOSA-N 1 1 369.421 3.324 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000521641208 504767983 /nfs/dbraw/zinc/76/79/83/504767983.db2.gz RKHADYUDJJGJEF-MRXNPFEDSA-N 1 1 354.410 3.116 20 5 FGBDMO O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CN1 ZINC000549531480 504844135 /nfs/dbraw/zinc/84/41/35/504844135.db2.gz BPZHTYURFKWOBS-ABAIWWIYSA-N 1 1 371.359 3.104 20 5 FGBDMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000565343657 504859932 /nfs/dbraw/zinc/85/99/32/504859932.db2.gz LOHSNQVFKQTJLB-GOSISDBHSA-N 1 1 350.415 3.015 20 5 FGBDMO CCOc1cc(N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)ccc1[N+](=O)[O-] ZINC000549644827 504866190 /nfs/dbraw/zinc/86/61/90/504866190.db2.gz WUQWCSGWJVXCQO-SJPCQFCGSA-N 1 1 363.458 3.072 20 5 FGBDMO CCN(Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000549939068 504940112 /nfs/dbraw/zinc/94/01/12/504940112.db2.gz UHVFGDQAJSWAHQ-SFHVURJKSA-N 1 1 355.438 3.397 20 5 FGBDMO CCN(Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000549939068 504940116 /nfs/dbraw/zinc/94/01/16/504940116.db2.gz UHVFGDQAJSWAHQ-SFHVURJKSA-N 1 1 355.438 3.397 20 5 FGBDMO COc1cc(CN(C)CCC[N@@H+](C)Cc2ccco2)c([N+](=O)[O-])cc1F ZINC000556884002 505005626 /nfs/dbraw/zinc/00/56/26/505005626.db2.gz OVTZVZGGAAWXIR-UHFFFAOYSA-N 1 1 365.405 3.289 20 5 FGBDMO O=C(CC[NH2+]Cc1nc(C(F)(F)F)cs1)Nc1ccccc1[N+](=O)[O-] ZINC000562996249 505013904 /nfs/dbraw/zinc/01/39/04/505013904.db2.gz OOHOSHFHEPTTQA-UHFFFAOYSA-N 1 1 374.344 3.189 20 5 FGBDMO CCOC(=O)C1CCC([N@@H+](CC)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000565961652 505039896 /nfs/dbraw/zinc/03/98/96/505039896.db2.gz FJUKPHPRZUZQCX-UHFFFAOYSA-N 1 1 374.441 3.415 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@H](Nc4ncccn4)C3)o2)cc1 ZINC000566248200 505123046 /nfs/dbraw/zinc/12/30/46/505123046.db2.gz UAKIHQBUFQJWCG-OAHLLOKOSA-N 1 1 365.393 3.331 20 5 FGBDMO C[C@@H]1C[C@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000557606289 505180836 /nfs/dbraw/zinc/18/08/36/505180836.db2.gz MMUDCXUESVWQDJ-GDBMZVCRSA-N 1 1 368.437 3.159 20 5 FGBDMO CCOc1ccccc1NC(=O)CC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000554835527 505276477 /nfs/dbraw/zinc/27/64/77/505276477.db2.gz TVWQBVZDOSWOOO-UHFFFAOYSA-N 1 1 371.437 3.497 20 5 FGBDMO CC1=C(c2ccco2)C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000554837795 505276673 /nfs/dbraw/zinc/27/66/73/505276673.db2.gz WBCXXIPGQIQVMQ-SFHVURJKSA-N 1 1 367.405 3.473 20 5 FGBDMO CC1=C(c2ccco2)C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000554837795 505276677 /nfs/dbraw/zinc/27/66/77/505276677.db2.gz WBCXXIPGQIQVMQ-SFHVURJKSA-N 1 1 367.405 3.473 20 5 FGBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)NCc1ccc(Cl)cc1 ZINC000554846942 505280400 /nfs/dbraw/zinc/28/04/00/505280400.db2.gz LYDBSBIGNNTGNC-UHFFFAOYSA-N 1 1 361.829 3.039 20 5 FGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)NCc1ccc(Cl)cc1 ZINC000554846942 505280403 /nfs/dbraw/zinc/28/04/03/505280403.db2.gz LYDBSBIGNNTGNC-UHFFFAOYSA-N 1 1 361.829 3.039 20 5 FGBDMO COc1ccc(C[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@H](C)C2CC2)c(OC)c1 ZINC000554862257 505283921 /nfs/dbraw/zinc/28/39/21/505283921.db2.gz BYHORGCHULLGEZ-CQSZACIVSA-N 1 1 374.441 3.109 20 5 FGBDMO C[C@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000561349760 505322248 /nfs/dbraw/zinc/32/22/48/505322248.db2.gz AXLOESAOKNZSAV-GFCCVEGCSA-N 1 1 356.348 3.373 20 5 FGBDMO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000561373953 505329694 /nfs/dbraw/zinc/32/96/94/505329694.db2.gz FJSCPBKQGWZWDR-KRWDZBQOSA-N 1 1 357.458 3.442 20 5 FGBDMO Cc1cc(C(C)(C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)ccc1Br ZINC000564400807 505408472 /nfs/dbraw/zinc/40/84/72/505408472.db2.gz SWVZHETWGHVEJZ-UHFFFAOYSA-N 1 1 367.247 3.424 20 5 FGBDMO COc1ccccc1[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1)[NH+](C)C ZINC000558726641 505475562 /nfs/dbraw/zinc/47/55/62/505475562.db2.gz BEOHUNXXKFFSIH-KRWDZBQOSA-N 1 1 372.425 3.336 20 5 FGBDMO CNc1ccc(C(=O)NCC[N@@H+]2CC=C(C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000552460071 505497135 /nfs/dbraw/zinc/49/71/35/505497135.db2.gz XVJKDATWDIDOGL-UHFFFAOYSA-N 1 1 360.458 3.045 20 5 FGBDMO C[N@@H+](CCC1CC1)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000562036616 505498516 /nfs/dbraw/zinc/49/85/16/505498516.db2.gz KXCLRJCHPRVHIU-UHFFFAOYSA-N 1 1 360.195 3.431 20 5 FGBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[N@H+]1CCC[C@@H](C)C1 ZINC000559048460 505557193 /nfs/dbraw/zinc/55/71/93/505557193.db2.gz BXVDZIODLCXSDO-VXGBXAGGSA-N 1 1 373.375 3.464 20 5 FGBDMO C[N@@H+]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000552810391 505558449 /nfs/dbraw/zinc/55/84/49/505558449.db2.gz ZSYVYJVXNZKDMK-HNNXBMFYSA-N 1 1 373.840 3.247 20 5 FGBDMO C[N@H+]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000552810391 505558452 /nfs/dbraw/zinc/55/84/52/505558452.db2.gz ZSYVYJVXNZKDMK-HNNXBMFYSA-N 1 1 373.840 3.247 20 5 FGBDMO COc1ccc([N+](=O)[O-])c(OCc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000564959054 505563280 /nfs/dbraw/zinc/56/32/80/505563280.db2.gz MUCSKYYDJUGRFW-UHFFFAOYSA-N 1 1 358.394 3.015 20 5 FGBDMO C[C@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000593120700 506406456 /nfs/dbraw/zinc/40/64/56/506406456.db2.gz GSVPAYDIIRGERM-ZFWWWQNUSA-N 1 1 363.433 3.046 20 5 FGBDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000596471543 506424460 /nfs/dbraw/zinc/42/44/60/506424460.db2.gz XDXDOTQZQHXVKO-LJQANCHMSA-N 1 1 368.437 3.376 20 5 FGBDMO Cc1nn(C)c(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1[N+](=O)[O-] ZINC000596527647 506447958 /nfs/dbraw/zinc/44/79/58/506447958.db2.gz WAEZAXYBKWUDOY-KRWDZBQOSA-N 1 1 369.469 3.351 20 5 FGBDMO C[C@@H]1C[N@@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000593191252 506453977 /nfs/dbraw/zinc/45/39/77/506453977.db2.gz WUHHOMDDJHRZCQ-GMTAPVOTSA-N 1 1 359.348 3.167 20 5 FGBDMO CC(C)C[N@@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000593204725 506462643 /nfs/dbraw/zinc/46/26/43/506462643.db2.gz ATUMNYMOCMFJQY-UHFFFAOYSA-N 1 1 351.447 3.090 20 5 FGBDMO CC(C)c1ccc(CN(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000589196101 506480382 /nfs/dbraw/zinc/48/03/82/506480382.db2.gz WXTFDXRRPQFWTM-LJQANCHMSA-N 1 1 374.529 3.319 20 5 FGBDMO CC(C)c1ccc(CN(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000589196101 506480385 /nfs/dbraw/zinc/48/03/85/506480385.db2.gz WXTFDXRRPQFWTM-LJQANCHMSA-N 1 1 374.529 3.319 20 5 FGBDMO C[C@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2sccc2C1 ZINC000582938825 506498630 /nfs/dbraw/zinc/49/86/30/506498630.db2.gz RVCDOFUGPQYQMT-KGLIPLIRSA-N 1 1 373.478 3.323 20 5 FGBDMO C[C@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2sccc2C1 ZINC000582938825 506498637 /nfs/dbraw/zinc/49/86/37/506498637.db2.gz RVCDOFUGPQYQMT-KGLIPLIRSA-N 1 1 373.478 3.323 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000596657162 506514105 /nfs/dbraw/zinc/51/41/05/506514105.db2.gz JKJLLJANKSQQEC-NSHDSACASA-N 1 1 372.372 3.191 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](Cc3ccccc3)C2)c1 ZINC000589496449 506568200 /nfs/dbraw/zinc/56/82/00/506568200.db2.gz VGADSKWTXFXGCL-MRXNPFEDSA-N 1 1 354.406 3.446 20 5 FGBDMO CCc1ccc([C@@H]([NH2+]CCOC[C@@H]2CCOC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000612409654 506568843 /nfs/dbraw/zinc/56/88/43/506568843.db2.gz LTMCBDZKAXKGEI-QRWLVFNGSA-N 1 1 374.437 3.482 20 5 FGBDMO Cc1ccc([C@@H](C)NC(=O)NCCC[N@H+](C)CC(C)C)cc1[N+](=O)[O-] ZINC000593372997 506582102 /nfs/dbraw/zinc/58/21/02/506582102.db2.gz NZFRLLKZEVBQBD-OAHLLOKOSA-N 1 1 350.463 3.241 20 5 FGBDMO O=[N+]([O-])c1cccc2ncnc(Nc3cccc(C[NH+]4CCOCC4)c3)c21 ZINC000612442219 506582355 /nfs/dbraw/zinc/58/23/55/506582355.db2.gz ZAMYJWZTNKGLND-UHFFFAOYSA-N 1 1 365.393 3.114 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000599691193 506584648 /nfs/dbraw/zinc/58/46/48/506584648.db2.gz BMJPOJBWYGNBNJ-OAHLLOKOSA-N 1 1 362.430 3.132 20 5 FGBDMO CCN1CC[NH+](Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])s3)cc2)CC1 ZINC000603668752 506592138 /nfs/dbraw/zinc/59/21/38/506592138.db2.gz NJGQUSBUJOHXSF-UHFFFAOYSA-N 1 1 374.466 3.046 20 5 FGBDMO CC(C)[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000603757544 506611895 /nfs/dbraw/zinc/61/18/95/506611895.db2.gz NINUCIJIYYEHEJ-QGZVFWFLSA-N 1 1 373.478 3.469 20 5 FGBDMO C[C@@H](c1cc(F)ccc1F)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000603840674 506630537 /nfs/dbraw/zinc/63/05/37/506630537.db2.gz QQCVNKKLZKPOEX-SWLSCSKDSA-N 1 1 366.364 3.306 20 5 FGBDMO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000603840674 506630542 /nfs/dbraw/zinc/63/05/42/506630542.db2.gz QQCVNKKLZKPOEX-SWLSCSKDSA-N 1 1 366.364 3.306 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCCC[C@@H]3[C@@H]3CCCC[C@H]3O)nc2c1 ZINC000589743987 506640293 /nfs/dbraw/zinc/64/02/93/506640293.db2.gz WBVUPZZOHYQQBT-BMGDILEWSA-N 1 1 358.442 3.377 20 5 FGBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596912555 506673091 /nfs/dbraw/zinc/67/30/91/506673091.db2.gz JIJQQNUXTSNOBK-OAHLLOKOSA-N 1 1 360.458 3.401 20 5 FGBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000604330496 506788779 /nfs/dbraw/zinc/78/87/79/506788779.db2.gz KPHSHKNKIJVVBV-CVEARBPZSA-N 1 1 374.485 3.045 20 5 FGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000597129575 506791147 /nfs/dbraw/zinc/79/11/47/506791147.db2.gz OFXLUWSCIMCIBL-IBGZPJMESA-N 1 1 356.422 3.437 20 5 FGBDMO Cc1[nH+]cc2n1C[C@H](C(=O)N1CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C1)CC2 ZINC000583505775 506817570 /nfs/dbraw/zinc/81/75/70/506817570.db2.gz UXXVWHUIBSWIRD-IAGOWNOFSA-N 1 1 368.437 3.068 20 5 FGBDMO O=C(CC[N@H+]1CCCO[C@H](c2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000609234612 506823180 /nfs/dbraw/zinc/82/31/80/506823180.db2.gz YMTUWAGAHZDKQL-IBGZPJMESA-N 1 1 369.421 3.387 20 5 FGBDMO CN1C[C@H]([N@@H+](C)Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCC1=O ZINC000600178182 506824247 /nfs/dbraw/zinc/82/42/47/506824247.db2.gz GUGLDHGSEYGOBP-CYBMUJFWSA-N 1 1 359.451 3.376 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCC[C@](O)(C4CC4)C3)cs2)c1 ZINC000597205631 506834593 /nfs/dbraw/zinc/83/45/93/506834593.db2.gz NKRKZQJDTWLTES-GOSISDBHSA-N 1 1 359.451 3.455 20 5 FGBDMO CC(C)[C@H](O)[C@@H]([NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1 ZINC000597222984 506843214 /nfs/dbraw/zinc/84/32/14/506843214.db2.gz RGBQULBZWHDPBO-PMACEKPBSA-N 1 1 372.421 3.214 20 5 FGBDMO CCc1cc(N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000583552726 506843880 /nfs/dbraw/zinc/84/38/80/506843880.db2.gz OCAGVJTWVLVMDI-OKILXGFUSA-N 1 1 355.442 3.143 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@H](N(C)c3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000597224918 506845570 /nfs/dbraw/zinc/84/55/70/506845570.db2.gz UZYGJQVFVZGAFQ-QGZVFWFLSA-N 1 1 371.437 3.323 20 5 FGBDMO CN(CC[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccccc1 ZINC000609355425 506864890 /nfs/dbraw/zinc/86/48/90/506864890.db2.gz OAVFJYWVIRKUTB-UHFFFAOYSA-N 1 1 367.409 3.213 20 5 FGBDMO CN(CC[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccccc1 ZINC000609355425 506864894 /nfs/dbraw/zinc/86/48/94/506864894.db2.gz OAVFJYWVIRKUTB-UHFFFAOYSA-N 1 1 367.409 3.213 20 5 FGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(OCC(F)(F)F)nn1 ZINC000593986129 506866243 /nfs/dbraw/zinc/86/62/43/506866243.db2.gz VPKMDUOPRTVKMZ-UHFFFAOYSA-N 1 1 370.331 3.000 20 5 FGBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609442626 506882703 /nfs/dbraw/zinc/88/27/03/506882703.db2.gz LBFFDIWBAZRQRK-INIZCTEOSA-N 1 1 371.412 3.376 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](OC3CCC3)C2)cccc1[N+](=O)[O-] ZINC000594026968 506892235 /nfs/dbraw/zinc/89/22/35/506892235.db2.gz RCUBNMKWXJDSED-GDBMZVCRSA-N 1 1 361.442 3.264 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](OC3CCC3)C2)cccc1[N+](=O)[O-] ZINC000594026968 506892244 /nfs/dbraw/zinc/89/22/44/506892244.db2.gz RCUBNMKWXJDSED-GDBMZVCRSA-N 1 1 361.442 3.264 20 5 FGBDMO COc1cccc2c1C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC2 ZINC000590759784 506941110 /nfs/dbraw/zinc/94/11/10/506941110.db2.gz NQOWZIQZRSDHPA-UHFFFAOYSA-N 1 1 369.421 3.299 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(CNc3c[nH+]ccc3-n3ccnn3)o2)cc1 ZINC000583957634 507070927 /nfs/dbraw/zinc/07/09/27/507070927.db2.gz GYWSGHZETUDCFB-UHFFFAOYSA-N 1 1 362.349 3.443 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000597859977 507138058 /nfs/dbraw/zinc/13/80/58/507138058.db2.gz JDKOMBCAULQQAW-LLVKDONJSA-N 1 1 373.375 3.464 20 5 FGBDMO C[NH+](C)[C@H](CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)c1ccco1 ZINC000600941362 507201362 /nfs/dbraw/zinc/20/13/62/507201362.db2.gz ATYAZQNSMHXIGT-MRXNPFEDSA-N 1 1 357.410 3.029 20 5 FGBDMO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c(Br)c1 ZINC000594604068 507206353 /nfs/dbraw/zinc/20/63/53/507206353.db2.gz XWUFJSVTNGFLBJ-QWHCGFSZSA-N 1 1 355.236 3.181 20 5 FGBDMO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@H+]3CCCC[C@H]23)c(Br)c1 ZINC000594604068 507206359 /nfs/dbraw/zinc/20/63/59/507206359.db2.gz XWUFJSVTNGFLBJ-QWHCGFSZSA-N 1 1 355.236 3.181 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000610390118 507224353 /nfs/dbraw/zinc/22/43/53/507224353.db2.gz OKEXQVLFWZKYTR-SFHVURJKSA-N 1 1 355.394 3.384 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000610390118 507224357 /nfs/dbraw/zinc/22/43/57/507224357.db2.gz OKEXQVLFWZKYTR-SFHVURJKSA-N 1 1 355.394 3.384 20 5 FGBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000601019817 507231274 /nfs/dbraw/zinc/23/12/74/507231274.db2.gz GCVAJGXQARXUGM-INIZCTEOSA-N 1 1 371.412 3.376 20 5 FGBDMO COc1ccc(CN2CC[C@@H]([NH2+][C@H](C)c3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000610420527 507233072 /nfs/dbraw/zinc/23/30/72/507233072.db2.gz HXXQWEUUKGDXTC-RDTXWAMCSA-N 1 1 369.421 3.055 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC(c4nncn4C4CC4)CC3)c2c1 ZINC000601118703 507267383 /nfs/dbraw/zinc/26/73/83/507267383.db2.gz QLFYTAZVPSSBAS-UHFFFAOYSA-N 1 1 364.409 3.453 20 5 FGBDMO C[C@@H](c1nccs1)N1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601143513 507275830 /nfs/dbraw/zinc/27/58/30/507275830.db2.gz GBPHIFJVLBJXJW-ZDUSSCGKSA-N 1 1 369.450 3.483 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@H](OCc4ccncc4)C3)c2c1 ZINC000601151966 507278877 /nfs/dbraw/zinc/27/88/77/507278877.db2.gz JDVTWTBMCXZQCX-INIZCTEOSA-N 1 1 350.378 3.334 20 5 FGBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601170852 507286800 /nfs/dbraw/zinc/28/68/00/507286800.db2.gz DTDJNKHOTROSHE-LSDHHAIUSA-N 1 1 363.433 3.461 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000610595647 507311764 /nfs/dbraw/zinc/31/17/64/507311764.db2.gz GERWSJHMQSIAEN-HOCLYGCPSA-N 1 1 360.458 3.280 20 5 FGBDMO COc1cc(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)cc([N+](=O)[O-])c1C ZINC000598218547 507322880 /nfs/dbraw/zinc/32/28/80/507322880.db2.gz HRXDEZDDCLAOMH-HNNXBMFYSA-N 1 1 361.442 3.049 20 5 FGBDMO COCC(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000595003929 507350936 /nfs/dbraw/zinc/35/09/36/507350936.db2.gz NTPVMPRIIXFXSF-ZDUSSCGKSA-N 1 1 373.409 3.039 20 5 FGBDMO O=[N+]([O-])c1cnn(C[C@@H](O)CNc2ccc([NH2+]C3CCCCC3)cc2)c1 ZINC000591773792 507354912 /nfs/dbraw/zinc/35/49/12/507354912.db2.gz WHSOYISEYOOIIV-SFHVURJKSA-N 1 1 359.430 3.009 20 5 FGBDMO Cc1c[nH+]cn1C1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC000601460261 507366705 /nfs/dbraw/zinc/36/67/05/507366705.db2.gz RRIYQTVGVISMLP-UHFFFAOYSA-N 1 1 368.437 3.385 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cccnc1N1CCCC1 ZINC000595063027 507374152 /nfs/dbraw/zinc/37/41/52/507374152.db2.gz CBZUOMXUOVYFKM-CQSZACIVSA-N 1 1 356.426 3.449 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]CC[C@]1(C)CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000595081667 507382380 /nfs/dbraw/zinc/38/23/80/507382380.db2.gz UFVJUTAAEXSAHP-GOEBONIOSA-N 1 1 350.369 3.443 20 5 FGBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000598465964 507437815 /nfs/dbraw/zinc/43/78/15/507437815.db2.gz QDATXRVAOPFIFG-UHFFFAOYSA-N 1 1 351.447 3.232 20 5 FGBDMO Cc1noc(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1[N+](=O)[O-] ZINC000595333008 507463209 /nfs/dbraw/zinc/46/32/09/507463209.db2.gz MAMKNVRISNYHDM-HXUWFJFHSA-N 1 1 370.453 3.379 20 5 FGBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1)CC(F)(F)F ZINC000595348555 507468384 /nfs/dbraw/zinc/46/83/84/507468384.db2.gz SPQGQHJKWRDVCQ-GFCCVEGCSA-N 1 1 363.355 3.440 20 5 FGBDMO CSc1cccc(C(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000598562088 507487852 /nfs/dbraw/zinc/48/78/52/507487852.db2.gz SXYDUCZEDDJRBX-CQSZACIVSA-N 1 1 363.483 3.169 20 5 FGBDMO Cc1nccn1CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132216 507495460 /nfs/dbraw/zinc/49/54/60/507495460.db2.gz CGFLXDJAWXFLFP-WGSAOQKQSA-N 1 1 372.469 3.296 20 5 FGBDMO COC(=O)c1ccnc(N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000598589909 507508889 /nfs/dbraw/zinc/50/88/89/507508889.db2.gz VPQFOLQETYFXFU-ZFWWWQNUSA-N 1 1 370.409 3.024 20 5 FGBDMO O=C(NCc1ccccc1)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000592153440 507509982 /nfs/dbraw/zinc/50/99/82/507509982.db2.gz ATLMMZXCEXGSAA-INIZCTEOSA-N 1 1 373.840 3.387 20 5 FGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000595490297 507527033 /nfs/dbraw/zinc/52/70/33/507527033.db2.gz PDYGQHKCFKUCDU-IBGZPJMESA-N 1 1 362.376 3.300 20 5 FGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595503799 507533774 /nfs/dbraw/zinc/53/37/74/507533774.db2.gz CDFXCMQBRQSXRU-IFXJQAMLSA-N 1 1 371.441 3.124 20 5 FGBDMO COc1ccc(OCC[N@H+]2CCC[C@H](c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC000595503201 507534916 /nfs/dbraw/zinc/53/49/16/507534916.db2.gz YGFLCOFXURUBDZ-HNNXBMFYSA-N 1 1 357.410 3.257 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@@H](C(F)F)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000611179833 507548084 /nfs/dbraw/zinc/54/80/84/507548084.db2.gz LBASWKOKXVWJET-MRVPVSSYSA-N 1 1 352.284 3.292 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@H](C(F)F)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000611179833 507548091 /nfs/dbraw/zinc/54/80/91/507548091.db2.gz LBASWKOKXVWJET-MRVPVSSYSA-N 1 1 352.284 3.292 20 5 FGBDMO Cc1ccc(C[N@@H+](C)Cc2ccc(C(=O)NC3CC3)cc2)cc1[N+](=O)[O-] ZINC000611255453 507583610 /nfs/dbraw/zinc/58/36/10/507583610.db2.gz AJVGGURFWYNGBC-UHFFFAOYSA-N 1 1 353.422 3.427 20 5 FGBDMO O=C(CC[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000611350550 507636706 /nfs/dbraw/zinc/63/67/06/507636706.db2.gz QEVIUAZWHHZKGK-HZPDHXFCSA-N 1 1 361.442 3.062 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@@H](C)[C@H]2CCO)c([N+](=O)[O-])cc1OC(F)F ZINC000595704787 507639917 /nfs/dbraw/zinc/63/99/17/507639917.db2.gz VNCWFNVNJQGOES-DGCLKSJQSA-N 1 1 374.384 3.188 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)[C@@H]2CCCC[C@H]12 ZINC000595732165 507654357 /nfs/dbraw/zinc/65/43/57/507654357.db2.gz OLXDWQUOEVLBNM-BRWVUGGUSA-N 1 1 362.426 3.157 20 5 FGBDMO C[N@H+]1C[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@H](c2ccccc2)C1 ZINC000592463892 507665511 /nfs/dbraw/zinc/66/55/11/507665511.db2.gz XLCAKPHRCSLNHA-ZBFHGGJFSA-N 1 1 372.400 3.201 20 5 FGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000595788309 507686001 /nfs/dbraw/zinc/68/60/01/507686001.db2.gz ISXFLHQMRDTLJL-VKJFTORMSA-N 1 1 361.442 3.203 20 5 FGBDMO Cc1ccc(C[N@H+]2CC[C@@H](C(=O)NCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000592523796 507695300 /nfs/dbraw/zinc/69/53/00/507695300.db2.gz QJPVZMMZBAKSBS-GOSISDBHSA-N 1 1 353.422 3.042 20 5 FGBDMO Cc1c(NC(=O)CC[N@@H+]2CC3(CCCC3)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000595816927 507699364 /nfs/dbraw/zinc/69/93/64/507699364.db2.gz ZKWXYGYCUJOKSG-AWEZNQCLSA-N 1 1 361.442 3.265 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000595832031 507707297 /nfs/dbraw/zinc/70/72/97/507707297.db2.gz GZMMBNXVTIDYTP-HNNXBMFYSA-N 1 1 361.442 3.444 20 5 FGBDMO CCN1C[C@H](C[N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)Oc2ccccc21 ZINC000611515134 507715901 /nfs/dbraw/zinc/71/59/01/507715901.db2.gz PPBFHLNYMCUKSU-INIZCTEOSA-N 1 1 371.437 3.323 20 5 FGBDMO CCOC(=O)CC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000611516764 507718349 /nfs/dbraw/zinc/71/83/49/507718349.db2.gz TYSJKSLPWHDVMJ-CQSZACIVSA-N 1 1 350.415 3.159 20 5 FGBDMO C[C@@H]([NH2+]Cc1cc(C(=O)OC(C)(C)C)nn1C)c1cccc([N+](=O)[O-])c1 ZINC000602518084 507735395 /nfs/dbraw/zinc/73/53/95/507735395.db2.gz NFVTXTXOPWSJOS-GFCCVEGCSA-N 1 1 360.414 3.134 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3C[C@]45COC[C@@]4(C3)CCCC5)n2)cc1 ZINC000595908472 507737488 /nfs/dbraw/zinc/73/74/88/507737488.db2.gz IMWRILGXGLPQKX-KDURUIRLSA-N 1 1 370.409 3.037 20 5 FGBDMO C[C@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000611560778 507739205 /nfs/dbraw/zinc/73/92/05/507739205.db2.gz SLGCXVSGCDJOCE-KDOFPFPSSA-N 1 1 351.410 3.206 20 5 FGBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)COCc1ccccc1 ZINC000073478106 695969308 /nfs/dbraw/zinc/96/93/08/695969308.db2.gz WYWJGJCVACNUDN-QGZVFWFLSA-N 1 1 364.829 3.258 20 5 FGBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)COCc1ccccc1 ZINC000073478106 695969309 /nfs/dbraw/zinc/96/93/09/695969309.db2.gz WYWJGJCVACNUDN-QGZVFWFLSA-N 1 1 364.829 3.258 20 5 FGBDMO C[C@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000110356920 700540739 /nfs/dbraw/zinc/54/07/39/700540739.db2.gz IUYAOZFMWSXJDL-CYBMUJFWSA-N 1 1 361.829 3.499 20 5 FGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000136805891 704864610 /nfs/dbraw/zinc/86/46/10/704864610.db2.gz SRUFAILHQHLEQZ-SFHVURJKSA-N 1 1 361.829 3.104 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]C1CCN(C2CC2)CC1 ZINC000162764725 705302941 /nfs/dbraw/zinc/30/29/41/705302941.db2.gz NNERBYULIFUPFN-UHFFFAOYSA-N 1 1 354.248 3.074 20 5 FGBDMO C[C@@H]1C[N@H+](C[C@H]2CCCN2Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000247384616 713639878 /nfs/dbraw/zinc/63/98/78/713639878.db2.gz LHVLZYNSVIQMSW-IJEWVQPXSA-N 1 1 367.877 3.322 20 5 FGBDMO O=[N+]([O-])c1ccc(NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000524947024 714312393 /nfs/dbraw/zinc/31/23/93/714312393.db2.gz KCJMHOVVVSBJES-GOSISDBHSA-N 1 1 361.829 3.297 20 5 FGBDMO C[C@@H](c1ccsc1)[NH+]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765088343 723477762 /nfs/dbraw/zinc/47/77/62/723477762.db2.gz SCXFPOHKUJNKNR-KSSFIOAISA-N 1 1 361.467 3.069 20 5 FGBDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000803639234 724457345 /nfs/dbraw/zinc/45/73/45/724457345.db2.gz AKVCITUKFAZORX-UHFFFAOYSA-N 1 1 365.817 3.435 20 5 FGBDMO C[N@H+]1CCCC[C@@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000781675093 724585360 /nfs/dbraw/zinc/58/53/60/724585360.db2.gz QNYYEELZXPFINH-LLVKDONJSA-N 1 1 371.231 3.389 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)nc1Cl ZINC001164730347 720365084 /nfs/dbraw/zinc/36/50/84/720365084.db2.gz WZZIXMUZWRGMDV-CABCVRRESA-N 1 1 373.844 3.200 20 5 FGBDMO CC[N@@H+]1CCCC[C@H]1C(=O)OCc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000745087558 722583357 /nfs/dbraw/zinc/58/33/57/722583357.db2.gz JSZSTTHRXPWUCC-INIZCTEOSA-N 1 1 350.415 3.300 20 5 FGBDMO CC[N@H+]1CCCC[C@H]1C(=O)OCc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000745087558 722583358 /nfs/dbraw/zinc/58/33/58/722583358.db2.gz JSZSTTHRXPWUCC-INIZCTEOSA-N 1 1 350.415 3.300 20 5 FGBDMO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000754511759 722940518 /nfs/dbraw/zinc/94/05/18/722940518.db2.gz UIFJRETYCUIALA-INIZCTEOSA-N 1 1 370.833 3.085 20 5 FGBDMO C[NH+](C)Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000789737483 723069662 /nfs/dbraw/zinc/06/96/62/723069662.db2.gz NLGZDMZWAGFZSW-UHFFFAOYSA-N 1 1 369.830 3.111 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CC[C@H](CC(F)(F)F)C3)n2)cc1 ZINC000766094597 723555599 /nfs/dbraw/zinc/55/55/99/723555599.db2.gz YUMSSLRVWOTVSV-LLVKDONJSA-N 1 1 355.320 3.085 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CC[C@H](CC(F)(F)F)C3)n2)cc1 ZINC000766094597 723555600 /nfs/dbraw/zinc/55/56/00/723555600.db2.gz YUMSSLRVWOTVSV-LLVKDONJSA-N 1 1 355.320 3.085 20 5 FGBDMO Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2Cc2cc(Cl)ccc2[N+](=O)[O-])cn1 ZINC000766961658 723601736 /nfs/dbraw/zinc/60/17/36/723601736.db2.gz QHZVFJUQJNXWEB-DOTOQJQBSA-N 1 1 364.833 3.070 20 5 FGBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000768716021 723665653 /nfs/dbraw/zinc/66/56/53/723665653.db2.gz IXNWKCJTIDTHCZ-ZDUSSCGKSA-N 1 1 351.834 3.052 20 5 FGBDMO C[N@H+](CCc1nccs1)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774641134 723913630 /nfs/dbraw/zinc/91/36/30/723913630.db2.gz XVGDOMULCPDGTM-UHFFFAOYSA-N 1 1 351.819 3.186 20 5 FGBDMO C[N@@H+](CCc1nccs1)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774641134 723913631 /nfs/dbraw/zinc/91/36/31/723913631.db2.gz XVGDOMULCPDGTM-UHFFFAOYSA-N 1 1 351.819 3.186 20 5 FGBDMO C[C@]1(CCCO)CCC[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000801526323 724310674 /nfs/dbraw/zinc/31/06/74/724310674.db2.gz KKQJRLYRLYYPNP-OAHLLOKOSA-N 1 1 357.248 3.484 20 5 FGBDMO C[C@]1(CCCO)CCC[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000801526323 724310677 /nfs/dbraw/zinc/31/06/77/724310677.db2.gz KKQJRLYRLYYPNP-OAHLLOKOSA-N 1 1 357.248 3.484 20 5 FGBDMO O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CN1 ZINC000809968526 725279228 /nfs/dbraw/zinc/27/92/28/725279228.db2.gz DHNDRPPZSJWRFA-IINYFYTJSA-N 1 1 372.252 3.392 20 5 FGBDMO O=C1C[C@H]([C@H]2CCCC[N@@H+]2Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CN1 ZINC000809968526 725279229 /nfs/dbraw/zinc/27/92/29/725279229.db2.gz DHNDRPPZSJWRFA-IINYFYTJSA-N 1 1 372.252 3.392 20 5 FGBDMO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000809999995 725281628 /nfs/dbraw/zinc/28/16/28/725281628.db2.gz UOVRGXOVCLADHS-KRWDZBQOSA-N 1 1 371.840 3.419 20 5 FGBDMO COCC[N@@H+]1CCC[C@H]1CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811477641 725368279 /nfs/dbraw/zinc/36/82/79/725368279.db2.gz AZKQXGIKMQBSQP-ZDUSSCGKSA-N 1 1 362.257 3.102 20 5 FGBDMO COCC[N@H+]1CCC[C@H]1CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811477641 725368280 /nfs/dbraw/zinc/36/82/80/725368280.db2.gz AZKQXGIKMQBSQP-ZDUSSCGKSA-N 1 1 362.257 3.102 20 5 FGBDMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813448052 726877734 /nfs/dbraw/zinc/87/77/34/726877734.db2.gz PNQDWARBEFPVOS-LLVKDONJSA-N 1 1 358.225 3.116 20 5 FGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccnc(Br)c1 ZINC000815116580 727039978 /nfs/dbraw/zinc/03/99/78/727039978.db2.gz VJVXKXJCAPUCDC-UHFFFAOYSA-N 1 1 350.216 3.427 20 5 FGBDMO C[C@H](CO)C1CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000844417162 730715107 /nfs/dbraw/zinc/71/51/07/730715107.db2.gz SHDHTMCHTHSCFQ-LLVKDONJSA-N 1 1 357.248 3.198 20 5 FGBDMO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000844910848 730788447 /nfs/dbraw/zinc/78/84/47/730788447.db2.gz KJBPPLCRANKTQF-KBRIMQKVSA-N 1 1 353.850 3.109 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]CCC1SCCS1)c1cccc([N+](=O)[O-])c1 ZINC000850568881 731374378 /nfs/dbraw/zinc/37/43/78/731374378.db2.gz MIABBLKIQRRHKE-OAHLLOKOSA-N 1 1 364.496 3.204 20 5 FGBDMO C[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)[C@H]1CCO ZINC000852461296 731586839 /nfs/dbraw/zinc/58/68/39/731586839.db2.gz IEQHLQGIZKTKCW-YPMHNXCESA-N 1 1 357.248 3.340 20 5 FGBDMO C[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)[C@H]1CCO ZINC000852461296 731586843 /nfs/dbraw/zinc/58/68/43/731586843.db2.gz IEQHLQGIZKTKCW-YPMHNXCESA-N 1 1 357.248 3.340 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000852498059 731593615 /nfs/dbraw/zinc/59/36/15/731593615.db2.gz ZMYHEHCSTSKDPO-INMHGKMJSA-N 1 1 350.390 3.288 20 5 FGBDMO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000857342277 732122835 /nfs/dbraw/zinc/12/28/35/732122835.db2.gz POEIIDSIYQUFEK-ZDUSSCGKSA-N 1 1 351.834 3.100 20 5 FGBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000857677485 732153070 /nfs/dbraw/zinc/15/30/70/732153070.db2.gz MJXDGRLDCHYBCG-UHFFFAOYSA-N 1 1 372.263 3.208 20 5 FGBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000863936270 733017582 /nfs/dbraw/zinc/01/75/82/733017582.db2.gz IHNCVZKRPQIJCQ-CQSZACIVSA-N 1 1 351.834 3.385 20 5 FGBDMO CC[N@@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C[C@@H](C)OC ZINC000878638336 736902960 /nfs/dbraw/zinc/90/29/60/736902960.db2.gz PYIKXJKFMIEMFZ-SNVBAGLBSA-N 1 1 354.794 3.155 20 5 FGBDMO CC[N@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C[C@@H](C)OC ZINC000878638336 736902962 /nfs/dbraw/zinc/90/29/62/736902962.db2.gz PYIKXJKFMIEMFZ-SNVBAGLBSA-N 1 1 354.794 3.155 20 5 FGBDMO COC[C@]1(C)CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878662354 736905361 /nfs/dbraw/zinc/90/53/61/736905361.db2.gz BTMAXRPTTLCNMS-MRXNPFEDSA-N 1 1 366.805 3.157 20 5 FGBDMO COC[C@]1(C)CC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878662354 736905363 /nfs/dbraw/zinc/90/53/63/736905363.db2.gz BTMAXRPTTLCNMS-MRXNPFEDSA-N 1 1 366.805 3.157 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CCC[C@]3(CCSC3)C2)o1 ZINC000878690414 736907730 /nfs/dbraw/zinc/90/77/30/736907730.db2.gz VCUNRVBPFLWBLY-KRWDZBQOSA-N 1 1 360.439 3.364 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879558093 737006264 /nfs/dbraw/zinc/00/62/64/737006264.db2.gz GZSCLKFKYOIWMY-IJLUTSLNSA-N 1 1 369.874 3.260 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879558093 737006270 /nfs/dbraw/zinc/00/62/70/737006270.db2.gz GZSCLKFKYOIWMY-IJLUTSLNSA-N 1 1 369.874 3.260 20 5 FGBDMO Cc1csc([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000880007694 737097555 /nfs/dbraw/zinc/09/75/55/737097555.db2.gz LDRPHLBZRCPJKZ-CHWSQXEVSA-N 1 1 360.439 3.176 20 5 FGBDMO Cc1csc([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000880007694 737097561 /nfs/dbraw/zinc/09/75/61/737097561.db2.gz LDRPHLBZRCPJKZ-CHWSQXEVSA-N 1 1 360.439 3.176 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)ccc1Br ZINC000886818282 739306296 /nfs/dbraw/zinc/30/62/96/739306296.db2.gz CNEYWQYPDQMUEL-DOMZBBRYSA-N 1 1 355.232 3.358 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1cnc(Br)cn1 ZINC000895407306 742407854 /nfs/dbraw/zinc/40/78/54/742407854.db2.gz QSGJGECTKKPIBP-UHFFFAOYSA-N 1 1 351.204 3.054 20 5 FGBDMO CCO/C=C/[C@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000895713075 742445405 /nfs/dbraw/zinc/44/54/05/742445405.db2.gz IRDHJINUBVNOFP-GFUIURDCSA-N 1 1 368.739 3.181 20 5 FGBDMO COCCO[C@]12CCC[C@@]1([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)CCO2 ZINC000897999699 742732264 /nfs/dbraw/zinc/73/22/64/742732264.db2.gz RLGZHCFLWOKXDD-IAGOWNOFSA-N 1 1 370.833 3.040 20 5 FGBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000906450223 744133255 /nfs/dbraw/zinc/13/32/55/744133255.db2.gz ISVMWGPJHDCKDE-AWEZNQCLSA-N 1 1 367.877 3.417 20 5 FGBDMO O=[N+]([O-])c1ccc(Br)c(C[NH+]2CCC(C3(O)CC3)CC2)c1 ZINC000930844808 760710789 /nfs/dbraw/zinc/71/07/89/760710789.db2.gz DROVZVXFIABYBX-UHFFFAOYSA-N 1 1 355.232 3.094 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2SC)C[C@@H]1C ZINC000933370102 761373612 /nfs/dbraw/zinc/37/36/12/761373612.db2.gz NOCVDQNHXIEBRJ-STQMWFEESA-N 1 1 351.472 3.262 20 5 FGBDMO Cc1ccc(NC(=O)C2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)nc1 ZINC000079895036 205639925 /nfs/dbraw/zinc/63/99/25/205639925.db2.gz ZKNRRHYCFBBGDZ-UHFFFAOYSA-N 1 1 360.439 3.210 20 5 FGBDMO COc1ccc(-c2ccc(C[NH2+][C@H]3CCc4[nH]cnc4C3)o2)c([N+](=O)[O-])c1 ZINC000570763689 505574871 /nfs/dbraw/zinc/57/48/71/505574871.db2.gz HBCUIOQGDNZQBO-LBPRGKRZSA-N 1 1 368.393 3.234 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2N(C)C)cccc1[N+](=O)[O-] ZINC000579639808 505592306 /nfs/dbraw/zinc/59/23/06/505592306.db2.gz CWJLYYJZCPPDLG-OAHLLOKOSA-N 1 1 370.453 3.428 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2N(C)C)cccc1[N+](=O)[O-] ZINC000579639808 505592310 /nfs/dbraw/zinc/59/23/10/505592310.db2.gz CWJLYYJZCPPDLG-OAHLLOKOSA-N 1 1 370.453 3.428 20 5 FGBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000576915349 505622591 /nfs/dbraw/zinc/62/25/91/505622591.db2.gz YPEZUTQSEQXPOO-CABCVRRESA-N 1 1 350.463 3.384 20 5 FGBDMO Cc1cc(N2CCC([N@@H+](C)Cc3cccc([N+](=O)[O-])c3)CC2)nc(C)n1 ZINC000080967866 493804090 /nfs/dbraw/zinc/80/40/90/493804090.db2.gz XWDSGRRHACKNLN-UHFFFAOYSA-N 1 1 355.442 3.102 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1CN1CCCCC1 ZINC000069078668 493917523 /nfs/dbraw/zinc/91/75/23/493917523.db2.gz BEJJTOYBFNBDRK-SFHVURJKSA-N 1 1 374.485 3.182 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]1CN1CCCCC1 ZINC000069078668 493917528 /nfs/dbraw/zinc/91/75/28/493917528.db2.gz BEJJTOYBFNBDRK-SFHVURJKSA-N 1 1 374.485 3.182 20 5 FGBDMO CC(C)[N@@H+](C)CCCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050575252 493922117 /nfs/dbraw/zinc/92/21/17/493922117.db2.gz HNXLJDTYKAJMJY-UHFFFAOYSA-N 1 1 362.455 3.178 20 5 FGBDMO C[N@H+]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C2(CCCCC2)C1 ZINC000081598847 493926681 /nfs/dbraw/zinc/92/66/81/493926681.db2.gz BCWNGMJCSDMPIK-UHFFFAOYSA-N 1 1 371.441 3.095 20 5 FGBDMO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000081945132 493971703 /nfs/dbraw/zinc/97/17/03/493971703.db2.gz YVKQXEBUYSNEEZ-IBGZPJMESA-N 1 1 371.412 3.057 20 5 FGBDMO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000081945132 493971706 /nfs/dbraw/zinc/97/17/06/493971706.db2.gz YVKQXEBUYSNEEZ-IBGZPJMESA-N 1 1 371.412 3.057 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+](Cc2ccccc2F)C2CC2)c1 ZINC000032775586 494014997 /nfs/dbraw/zinc/01/49/97/494014997.db2.gz RUMPHQGDXJYZKW-QGZVFWFLSA-N 1 1 360.385 3.138 20 5 FGBDMO O=C(Nc1ccccc1)[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000052314985 494018088 /nfs/dbraw/zinc/01/80/88/494018088.db2.gz ZYJBWMZPGVLCCE-KRWDZBQOSA-N 1 1 353.422 3.488 20 5 FGBDMO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[NH+](Cc2ccccc2)CC1 ZINC000052603674 494044925 /nfs/dbraw/zinc/04/49/25/494044925.db2.gz SWTVUHWTHWOJBU-UHFFFAOYSA-N 1 1 364.405 3.034 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CCCc1ccccc1 ZINC000052802800 494063444 /nfs/dbraw/zinc/06/34/44/494063444.db2.gz MMXMDCANRDZVQP-UHFFFAOYSA-N 1 1 371.437 3.497 20 5 FGBDMO CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000077383389 494072780 /nfs/dbraw/zinc/07/27/80/494072780.db2.gz LJAVLCPVIWWAML-UHFFFAOYSA-N 1 1 355.438 3.361 20 5 FGBDMO COc1ccc(C[N@H+]2CCCN(c3ccc([N+](=O)[O-])cc3F)CC2)cc1 ZINC000042097385 494200870 /nfs/dbraw/zinc/20/08/70/494200870.db2.gz QMPKJTGGEWCRMD-UHFFFAOYSA-N 1 1 359.401 3.455 20 5 FGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000065532637 494211191 /nfs/dbraw/zinc/21/11/91/494211191.db2.gz WQOIXIMTQHTGPB-UHFFFAOYSA-N 1 1 373.428 3.321 20 5 FGBDMO O=[N+]([O-])c1ccc(OCCN2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000065532637 494211195 /nfs/dbraw/zinc/21/11/95/494211195.db2.gz WQOIXIMTQHTGPB-UHFFFAOYSA-N 1 1 373.428 3.321 20 5 FGBDMO O=[N+]([O-])c1ccc(OCCN2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000065532637 494211199 /nfs/dbraw/zinc/21/11/99/494211199.db2.gz WQOIXIMTQHTGPB-UHFFFAOYSA-N 1 1 373.428 3.321 20 5 FGBDMO C[N@@H+](CCCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C1CCCCC1 ZINC000065842889 494245575 /nfs/dbraw/zinc/24/55/75/494245575.db2.gz QQANICKIACEZBQ-UHFFFAOYSA-N 1 1 372.469 3.320 20 5 FGBDMO COc1ccccc1C[C@H](C)[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000072772251 494248648 /nfs/dbraw/zinc/24/86/48/494248648.db2.gz NMWOVEKDFLMWIV-HNNXBMFYSA-N 1 1 371.437 3.413 20 5 FGBDMO COc1ccccc1C[C@H](C)[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000072772251 494248652 /nfs/dbraw/zinc/24/86/52/494248652.db2.gz NMWOVEKDFLMWIV-HNNXBMFYSA-N 1 1 371.437 3.413 20 5 FGBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2c2ccccc2Br)c1 ZINC000088559304 494249356 /nfs/dbraw/zinc/24/93/56/494249356.db2.gz BNRZPJQUBHHSTH-HNNXBMFYSA-N 1 1 365.231 3.391 20 5 FGBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]2c2ccccc2Br)c1 ZINC000088559304 494249358 /nfs/dbraw/zinc/24/93/58/494249358.db2.gz BNRZPJQUBHHSTH-HNNXBMFYSA-N 1 1 365.231 3.391 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000065868071 494249560 /nfs/dbraw/zinc/24/95/60/494249560.db2.gz WJYSBAHWSWQUTR-IYBDPMFKSA-N 1 1 372.469 3.034 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000072808176 494254180 /nfs/dbraw/zinc/25/41/80/494254180.db2.gz BFJRDGFNIARODS-KGLIPLIRSA-N 1 1 351.472 3.383 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOC[C@H]1c1ccccc1 ZINC000072895277 494277467 /nfs/dbraw/zinc/27/74/67/494277467.db2.gz BGKGMPSSMSMPAP-IBGZPJMESA-N 1 1 369.421 3.305 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCOC[C@H]1c1ccccc1 ZINC000072895277 494277471 /nfs/dbraw/zinc/27/74/71/494277471.db2.gz BGKGMPSSMSMPAP-IBGZPJMESA-N 1 1 369.421 3.305 20 5 FGBDMO CCSCC[C@@H](C)[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000072900906 494279251 /nfs/dbraw/zinc/27/92/51/494279251.db2.gz MMCUNQZJFOTOFX-CYBMUJFWSA-N 1 1 367.471 3.356 20 5 FGBDMO CCC[N@@H+]1Cc2cccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)c2C1 ZINC000066515177 494348054 /nfs/dbraw/zinc/34/80/54/494348054.db2.gz CLJJPUZJXIRLKM-UHFFFAOYSA-N 1 1 355.394 3.338 20 5 FGBDMO CCC[N@H+]1Cc2cccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)c2C1 ZINC000066515177 494348056 /nfs/dbraw/zinc/34/80/56/494348056.db2.gz CLJJPUZJXIRLKM-UHFFFAOYSA-N 1 1 355.394 3.338 20 5 FGBDMO CC[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000044492202 494361230 /nfs/dbraw/zinc/36/12/30/494361230.db2.gz LQDKCEIPMPZMCG-MRXNPFEDSA-N 1 1 359.451 3.223 20 5 FGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000078882447 494375303 /nfs/dbraw/zinc/37/53/03/494375303.db2.gz FWNVUHBDDRGKGE-CQSZACIVSA-N 1 1 373.375 3.305 20 5 FGBDMO Cc1c(CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000571375859 505718196 /nfs/dbraw/zinc/71/81/96/505718196.db2.gz IVAMXVFAGRHVKO-APWZRJJASA-N 1 1 372.469 3.062 20 5 FGBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000045622706 494446004 /nfs/dbraw/zinc/44/60/04/494446004.db2.gz XGMOQHFYXPZLDM-UHFFFAOYSA-N 1 1 370.453 3.434 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000067057801 494464710 /nfs/dbraw/zinc/46/47/10/494464710.db2.gz ZIGJWMJUXBNHPO-DOTOQJQBSA-N 1 1 353.422 3.469 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000074047060 494472008 /nfs/dbraw/zinc/47/20/08/494472008.db2.gz XOFWKRDDIAYPAS-MRXNPFEDSA-N 1 1 355.442 3.292 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000045948199 494478037 /nfs/dbraw/zinc/47/80/37/494478037.db2.gz ZVVIYCGDFDPYHJ-AWEZNQCLSA-N 1 1 364.446 3.380 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000090554205 494481734 /nfs/dbraw/zinc/48/17/34/494481734.db2.gz ICSLEMYWDFHUIY-IBGZPJMESA-N 1 1 366.421 3.465 20 5 FGBDMO C[C@@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000079709752 494512725 /nfs/dbraw/zinc/51/27/25/494512725.db2.gz YOQULUGMWGFSIO-APWZRJJASA-N 1 1 367.449 3.307 20 5 FGBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000577432411 505725537 /nfs/dbraw/zinc/72/55/37/505725537.db2.gz MAPKGYDVMGQRRE-LLVKDONJSA-N 1 1 361.364 3.464 20 5 FGBDMO O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000067594486 494577447 /nfs/dbraw/zinc/57/74/47/494577447.db2.gz FRPDNZWHGSTAKC-GOSISDBHSA-N 1 1 353.422 3.123 20 5 FGBDMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000115957333 494665401 /nfs/dbraw/zinc/66/54/01/494665401.db2.gz WWBDWGOAKSHTRL-UHFFFAOYSA-N 1 1 350.378 3.327 20 5 FGBDMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000047260743 494665904 /nfs/dbraw/zinc/66/59/04/494665904.db2.gz FZPQDMBFMMTMPL-MRXNPFEDSA-N 1 1 354.410 3.149 20 5 FGBDMO Cc1ccc(C[N@H+](C)C2CCN(CCc3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000092645209 494693803 /nfs/dbraw/zinc/69/38/03/494693803.db2.gz ORVPDVMQUJAZRS-UHFFFAOYSA-N 1 1 368.481 3.437 20 5 FGBDMO Cc1ccc(CN(C)C2CC[NH+](CCc3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000092645209 494693807 /nfs/dbraw/zinc/69/38/07/494693807.db2.gz ORVPDVMQUJAZRS-UHFFFAOYSA-N 1 1 368.481 3.437 20 5 FGBDMO Cc1noc([C@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)n1 ZINC000091833426 494696632 /nfs/dbraw/zinc/69/66/32/494696632.db2.gz XANORIDANJPOOK-NSHDSACASA-N 1 1 368.340 3.267 20 5 FGBDMO Cc1noc([C@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)n1 ZINC000091833426 494696634 /nfs/dbraw/zinc/69/66/34/494696634.db2.gz XANORIDANJPOOK-NSHDSACASA-N 1 1 368.340 3.267 20 5 FGBDMO CN(C)CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000080568822 494735475 /nfs/dbraw/zinc/73/54/75/494735475.db2.gz OSAZXBGCLMWDTI-UHFFFAOYSA-N 1 1 360.380 3.052 20 5 FGBDMO CCCn1nc(C)c(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1C ZINC000092047784 494770389 /nfs/dbraw/zinc/77/03/89/494770389.db2.gz FYJLJSMOIFSWQG-UHFFFAOYSA-N 1 1 357.458 3.140 20 5 FGBDMO Cc1ccc(-c2n[nH]cc2C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)o1 ZINC000092047814 494770408 /nfs/dbraw/zinc/77/04/08/494770408.db2.gz AINWDYAJBILMPF-UHFFFAOYSA-N 1 1 367.409 3.209 20 5 FGBDMO NC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000116498282 494801513 /nfs/dbraw/zinc/80/15/13/494801513.db2.gz QIMRSDFUPCKCIK-GOSISDBHSA-N 1 1 353.422 3.291 20 5 FGBDMO C[C@]1(c2ccccc2)C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000121574092 494806994 /nfs/dbraw/zinc/80/69/94/494806994.db2.gz QLPNEPSDCKYEHV-HXUWFJFHSA-N 1 1 369.421 3.171 20 5 FGBDMO C[C@]1(c2ccccc2)C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000121574092 494807000 /nfs/dbraw/zinc/80/70/00/494807000.db2.gz QLPNEPSDCKYEHV-HXUWFJFHSA-N 1 1 369.421 3.171 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000026299119 494815349 /nfs/dbraw/zinc/81/53/49/494815349.db2.gz ZYQJAXXMIMYSHZ-CQSZACIVSA-N 1 1 367.409 3.377 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000026299119 494815354 /nfs/dbraw/zinc/81/53/54/494815354.db2.gz ZYQJAXXMIMYSHZ-CQSZACIVSA-N 1 1 367.409 3.377 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCCNc1ncc([N+](=O)[O-])cc1Br ZINC000093433823 494891976 /nfs/dbraw/zinc/89/19/76/494891976.db2.gz XAEBLMXGKVHQEG-NSHDSACASA-N 1 1 357.252 3.429 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)ccc1Br ZINC000093505678 494896175 /nfs/dbraw/zinc/89/61/75/494896175.db2.gz DCDVGYJZVQYJLF-DOMZBBRYSA-N 1 1 355.232 3.358 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)ccc1Br ZINC000093505678 494896177 /nfs/dbraw/zinc/89/61/77/494896177.db2.gz DCDVGYJZVQYJLF-DOMZBBRYSA-N 1 1 355.232 3.358 20 5 FGBDMO Cc1[nH+]ccn1CCCN(C)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000121946008 494896787 /nfs/dbraw/zinc/89/67/87/494896787.db2.gz MGWSRUXTYJFLGR-AWEZNQCLSA-N 1 1 359.430 3.201 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc(Cl)c(F)c3)C2)nc1 ZINC000093534855 494898535 /nfs/dbraw/zinc/89/85/35/494898535.db2.gz JLZQAMMAWQVZQF-LBPRGKRZSA-N 1 1 350.781 3.469 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)nc1 ZINC000093534855 494898538 /nfs/dbraw/zinc/89/85/38/494898538.db2.gz JLZQAMMAWQVZQF-LBPRGKRZSA-N 1 1 350.781 3.469 20 5 FGBDMO CC[N@@H+](C)C[C@@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000093769985 494920804 /nfs/dbraw/zinc/92/08/04/494920804.db2.gz TYCAYNMVCLXXCL-AWEZNQCLSA-N 1 1 360.483 3.492 20 5 FGBDMO C[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000109848120 494924319 /nfs/dbraw/zinc/92/43/19/494924319.db2.gz BFPCNZQWLSRPKG-CQSZACIVSA-N 1 1 355.394 3.069 20 5 FGBDMO COC(=O)c1ccc(N2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3)[C@H](C)C2)cc1 ZINC000109957093 494934342 /nfs/dbraw/zinc/93/43/42/494934342.db2.gz JBAQMNKNDPONCP-OAHLLOKOSA-N 1 1 369.421 3.092 20 5 FGBDMO COC(=O)c1ccc(N2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)[C@H](C)C2)cc1 ZINC000109957093 494934344 /nfs/dbraw/zinc/93/43/44/494934344.db2.gz JBAQMNKNDPONCP-OAHLLOKOSA-N 1 1 369.421 3.092 20 5 FGBDMO CCN(CC)C(=O)C1([NH2+]Cc2c(F)cccc2[N+](=O)[O-])CCCCC1 ZINC000118847173 495048485 /nfs/dbraw/zinc/04/84/85/495048485.db2.gz ILHXMEQMANNLRI-UHFFFAOYSA-N 1 1 351.422 3.395 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@@H]3CCCC[C@H]3n3cccn3)n2)cc1 ZINC000128154136 495053333 /nfs/dbraw/zinc/05/33/33/495053333.db2.gz DOKAIRLKQZNKRO-HZPDHXFCSA-N 1 1 368.397 3.115 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)nc1 ZINC000133817116 495065996 /nfs/dbraw/zinc/06/59/96/495065996.db2.gz AMDZZXPQNLJHQR-HKUYNNGSSA-N 1 1 352.438 3.481 20 5 FGBDMO CCOCCC[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000123026279 495068670 /nfs/dbraw/zinc/06/86/70/495068670.db2.gz SUYBQCRSMDUVCT-IUODEOHRSA-N 1 1 356.854 3.192 20 5 FGBDMO O=[N+]([O-])c1cc(C[NH2+]CCc2nc[nH]n2)ccc1Oc1ccccc1Cl ZINC000119076534 495087194 /nfs/dbraw/zinc/08/71/94/495087194.db2.gz IVWBUOLJCOVBTL-UHFFFAOYSA-N 1 1 373.800 3.491 20 5 FGBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000123369226 495121762 /nfs/dbraw/zinc/12/17/62/495121762.db2.gz KLPMQKOECSFJKX-HNNXBMFYSA-N 1 1 355.394 3.031 20 5 FGBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000123369226 495121769 /nfs/dbraw/zinc/12/17/69/495121769.db2.gz KLPMQKOECSFJKX-HNNXBMFYSA-N 1 1 355.394 3.031 20 5 FGBDMO CN(Cc1c(Cl)cccc1[N+](=O)[O-])CC(C)(C)C[NH+]1CCOCC1 ZINC000119525926 495183509 /nfs/dbraw/zinc/18/35/09/495183509.db2.gz FYTXRGITXGBBDE-UHFFFAOYSA-N 1 1 355.866 3.038 20 5 FGBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000124112826 495235649 /nfs/dbraw/zinc/23/56/49/495235649.db2.gz IUCFVMRKKZNJEC-JTQLQIEISA-N 1 1 351.794 3.211 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000568747392 505768977 /nfs/dbraw/zinc/76/89/77/505768977.db2.gz KBZORZWSIBYTGH-CRAIPNDOSA-N 1 1 357.454 3.301 20 5 FGBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccs1 ZINC000129700623 495282612 /nfs/dbraw/zinc/28/26/12/495282612.db2.gz LQVCAHGGMJTYSB-WMLDXEAASA-N 1 1 359.451 3.469 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000114469659 495380116 /nfs/dbraw/zinc/38/01/16/495380116.db2.gz KNSAVZIZYPDFMF-LJQANCHMSA-N 1 1 356.422 3.475 20 5 FGBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000568803701 505779966 /nfs/dbraw/zinc/77/99/66/505779966.db2.gz RNJQWNGDOQHXFL-UHFFFAOYSA-N 1 1 353.422 3.428 20 5 FGBDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000130643393 495423324 /nfs/dbraw/zinc/42/33/24/495423324.db2.gz LPJTVKKTPPLHRD-MRXNPFEDSA-N 1 1 358.398 3.138 20 5 FGBDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000130643393 495423327 /nfs/dbraw/zinc/42/33/27/495423327.db2.gz LPJTVKKTPPLHRD-MRXNPFEDSA-N 1 1 358.398 3.138 20 5 FGBDMO C[N@@H+](Cc1ccccc1CNC(=O)c1[nH]ncc1[N+](=O)[O-])C1CCCCC1 ZINC000137667517 495447505 /nfs/dbraw/zinc/44/75/05/495447505.db2.gz SDTSYXODGRRADR-UHFFFAOYSA-N 1 1 371.441 3.012 20 5 FGBDMO C[N@H+](Cc1ccccc1CNC(=O)c1n[nH]cc1[N+](=O)[O-])C1CCCCC1 ZINC000137667517 495447508 /nfs/dbraw/zinc/44/75/08/495447508.db2.gz SDTSYXODGRRADR-UHFFFAOYSA-N 1 1 371.441 3.012 20 5 FGBDMO C[N@@H+](Cc1ccccc1CNC(=O)c1n[nH]cc1[N+](=O)[O-])C1CCCCC1 ZINC000137667517 495447510 /nfs/dbraw/zinc/44/75/10/495447510.db2.gz SDTSYXODGRRADR-UHFFFAOYSA-N 1 1 371.441 3.012 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+](C)[C@@H](C)C[S@](C)=O)o2)c([N+](=O)[O-])c1 ZINC000130861360 495457472 /nfs/dbraw/zinc/45/74/72/495457472.db2.gz UZJOOIAEWXGEBT-UOXLDJKESA-N 1 1 366.439 3.062 20 5 FGBDMO COc1ccc(-c2ccc(C[N@@H+](C)[C@@H](C)C[S@](C)=O)o2)c([N+](=O)[O-])c1 ZINC000130861360 495457473 /nfs/dbraw/zinc/45/74/73/495457473.db2.gz UZJOOIAEWXGEBT-UOXLDJKESA-N 1 1 366.439 3.062 20 5 FGBDMO CCC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@H]1CCCCO1 ZINC000106867106 495503818 /nfs/dbraw/zinc/50/38/18/495503818.db2.gz LRXHIRJNBGZHRZ-MRXNPFEDSA-N 1 1 360.414 3.426 20 5 FGBDMO CCC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@H]1CCCCO1 ZINC000106867106 495503822 /nfs/dbraw/zinc/50/38/22/495503822.db2.gz LRXHIRJNBGZHRZ-MRXNPFEDSA-N 1 1 360.414 3.426 20 5 FGBDMO COc1ccc(CCC[N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000125872551 495511605 /nfs/dbraw/zinc/51/16/05/495511605.db2.gz VJDGOQMIODOYMQ-UHFFFAOYSA-N 1 1 371.437 3.497 20 5 FGBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H]2c2nnc3n2CCCCC3)cc1 ZINC000154290444 495571030 /nfs/dbraw/zinc/57/10/30/495571030.db2.gz WHYDJOUJDRSJOI-QGZVFWFLSA-N 1 1 355.442 3.292 20 5 FGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H]2c2nnc3n2CCCCC3)cc1 ZINC000154290444 495571039 /nfs/dbraw/zinc/57/10/39/495571039.db2.gz WHYDJOUJDRSJOI-QGZVFWFLSA-N 1 1 355.442 3.292 20 5 FGBDMO Cc1ncsc1C[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000179425395 495586655 /nfs/dbraw/zinc/58/66/55/495586655.db2.gz JKZJGEINMDKIQC-UHFFFAOYSA-N 1 1 357.439 3.392 20 5 FGBDMO Cc1ncsc1C[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000179425395 495586660 /nfs/dbraw/zinc/58/66/60/495586660.db2.gz JKZJGEINMDKIQC-UHFFFAOYSA-N 1 1 357.439 3.392 20 5 FGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@@H](COCc3ccccc3)C2)c1 ZINC000154374397 495597471 /nfs/dbraw/zinc/59/74/71/495597471.db2.gz CJLQSJUNTXDTAJ-XLIONFOSSA-N 1 1 356.422 3.167 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000150754310 495623212 /nfs/dbraw/zinc/62/32/12/495623212.db2.gz XCMHBIKYZDLSLN-KDOFPFPSSA-N 1 1 371.412 3.374 20 5 FGBDMO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1 ZINC000182634374 495643448 /nfs/dbraw/zinc/64/34/48/495643448.db2.gz XZERFCMFVQUOBY-CYBMUJFWSA-N 1 1 374.418 3.466 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1c1ccccn1 ZINC000577800539 505795196 /nfs/dbraw/zinc/79/51/96/505795196.db2.gz DGWYYXXWVBKQIW-SFHVURJKSA-N 1 1 354.410 3.464 20 5 FGBDMO C[C@H](N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000185740758 495704835 /nfs/dbraw/zinc/70/48/35/495704835.db2.gz TXBLLGTWSGDMQF-HRCADAONSA-N 1 1 374.485 3.164 20 5 FGBDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000173871610 495727094 /nfs/dbraw/zinc/72/70/94/495727094.db2.gz JPUTWDXIDSEUCI-GDBMZVCRSA-N 1 1 363.483 3.090 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000182931403 495761461 /nfs/dbraw/zinc/76/14/61/495761461.db2.gz YOODJLXDJNALHN-AWEZNQCLSA-N 1 1 367.405 3.192 20 5 FGBDMO COc1ccc([C@@H]2CCCCC[N@H+]2CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000159716859 495794107 /nfs/dbraw/zinc/79/41/07/495794107.db2.gz DKPPAOKNOUSFGU-IBGZPJMESA-N 1 1 371.437 3.382 20 5 FGBDMO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc2c(c1)CCC(=O)N2 ZINC000179993930 495814526 /nfs/dbraw/zinc/81/45/26/495814526.db2.gz UFMABNIGXXFDLL-LLVKDONJSA-N 1 1 366.377 3.472 20 5 FGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000155128164 495846726 /nfs/dbraw/zinc/84/67/26/495846726.db2.gz ZAFVRXIXEGPKII-CPUCHLNUSA-N 1 1 363.483 3.018 20 5 FGBDMO CCc1[nH]nc(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000171399705 495856197 /nfs/dbraw/zinc/85/61/97/495856197.db2.gz CCYHJAYUBQSODT-ZDUSSCGKSA-N 1 1 371.441 3.365 20 5 FGBDMO CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174243477 495878631 /nfs/dbraw/zinc/87/86/31/495878631.db2.gz NBJLNWQJGNAPDY-CQSZACIVSA-N 1 1 363.458 3.131 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](Cc1ccccc1)CC(C)(C)O ZINC000180225406 495914387 /nfs/dbraw/zinc/91/43/87/495914387.db2.gz APJPXRORHWEJLM-UHFFFAOYSA-N 1 1 371.437 3.115 20 5 FGBDMO COc1ccc([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000155330533 495921843 /nfs/dbraw/zinc/92/18/43/495921843.db2.gz TZLHMOOIUHMMEW-HOCLYGCPSA-N 1 1 369.421 3.420 20 5 FGBDMO COc1ccc([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000155334333 495924152 /nfs/dbraw/zinc/92/41/52/495924152.db2.gz JVGNSBYXZZHAEP-HOCLYGCPSA-N 1 1 369.421 3.420 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000183308359 495924627 /nfs/dbraw/zinc/92/46/27/495924627.db2.gz YLNACKAFONFIJM-UHFFFAOYSA-N 1 1 368.481 3.437 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1CN(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000183308359 495924631 /nfs/dbraw/zinc/92/46/31/495924631.db2.gz YLNACKAFONFIJM-UHFFFAOYSA-N 1 1 368.481 3.437 20 5 FGBDMO CCCCN(C)C(=O)C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000171630174 495956542 /nfs/dbraw/zinc/95/65/42/495956542.db2.gz OMHZSLHVKHKQEZ-UHFFFAOYSA-N 1 1 351.422 3.204 20 5 FGBDMO CCOc1cc(N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000160483072 495973728 /nfs/dbraw/zinc/97/37/28/495973728.db2.gz XNOJDZTUYALYKZ-UXLLHSPISA-N 1 1 363.458 3.072 20 5 FGBDMO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000186381090 495975382 /nfs/dbraw/zinc/97/53/82/495975382.db2.gz APJZLKVXYJKPJY-HOTGVXAUSA-N 1 1 360.414 3.328 20 5 FGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000177248435 495993749 /nfs/dbraw/zinc/99/37/49/495993749.db2.gz IUJBYAMBEDLCJB-YPMHNXCESA-N 1 1 352.822 3.339 20 5 FGBDMO C[C@H]([NH2+]CC(=O)Nc1nnc(C(C)(C)C)s1)c1cccc([N+](=O)[O-])c1 ZINC000180433845 495995207 /nfs/dbraw/zinc/99/52/07/495995207.db2.gz DZTZNRMEJSVVDZ-JTQLQIEISA-N 1 1 363.443 3.033 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCSC3(CCOCC3)C2)c1 ZINC000186479047 496013407 /nfs/dbraw/zinc/01/34/07/496013407.db2.gz VAOPFOLARPXCQC-UHFFFAOYSA-N 1 1 374.409 3.294 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCSC2(CCOCC2)C1 ZINC000186485208 496015207 /nfs/dbraw/zinc/01/52/07/496015207.db2.gz KCMWSHFGGUWTCQ-UHFFFAOYSA-N 1 1 352.456 3.092 20 5 FGBDMO CC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H](C)c1cccc(O)c1 ZINC000174617009 496034073 /nfs/dbraw/zinc/03/40/73/496034073.db2.gz HOHVQZUTFWWMIV-CYBMUJFWSA-N 1 1 373.409 3.331 20 5 FGBDMO CC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H](C)c1cccc(O)c1 ZINC000174617009 496034077 /nfs/dbraw/zinc/03/40/77/496034077.db2.gz HOHVQZUTFWWMIV-CYBMUJFWSA-N 1 1 373.409 3.331 20 5 FGBDMO CN(C(=O)Nc1ccncc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000183610718 496047724 /nfs/dbraw/zinc/04/77/24/496047724.db2.gz RHNDMYLQKBRYEF-MRXNPFEDSA-N 1 1 369.425 3.118 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(SC)c2[N+](=O)[O-])[C@H](C)C1 ZINC000186571032 496050942 /nfs/dbraw/zinc/05/09/42/496050942.db2.gz PGMQVYLXLYGCOE-TZMCWYRMSA-N 1 1 351.472 3.119 20 5 FGBDMO C[C@@H]1C[C@@H](NC(=O)Nc2ccncc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000183647357 496061466 /nfs/dbraw/zinc/06/14/66/496061466.db2.gz LOZICFHWNFPNKG-ZBFHGGJFSA-N 1 1 369.425 3.164 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCC[C@H](Cn4ccnn4)C3)o2)c1 ZINC000180800979 496151773 /nfs/dbraw/zinc/15/17/73/496151773.db2.gz CWTMPDAQRKCTLV-HNNXBMFYSA-N 1 1 367.409 3.359 20 5 FGBDMO O=C([C@H]1CCC[N@H+]1Cc1ccccc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000161454617 496179200 /nfs/dbraw/zinc/17/92/00/496179200.db2.gz FTLULRYTZQYTQP-HXUWFJFHSA-N 1 1 365.433 3.144 20 5 FGBDMO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1nc2c(s1)CCCC2 ZINC000177792869 496198853 /nfs/dbraw/zinc/19/88/53/496198853.db2.gz VQRVZCPQOWSJLA-UHFFFAOYSA-N 1 1 374.466 3.391 20 5 FGBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1nc2c(s1)CCCC2 ZINC000177792869 496198860 /nfs/dbraw/zinc/19/88/60/496198860.db2.gz VQRVZCPQOWSJLA-UHFFFAOYSA-N 1 1 374.466 3.391 20 5 FGBDMO Cc1c(CC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000161771581 496234268 /nfs/dbraw/zinc/23/42/68/496234268.db2.gz PISCXMNBNFNAKM-IYBDPMFKSA-N 1 1 361.486 3.320 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@@H](c4cc[nH]n4)C3)co2)cc1 ZINC000153077885 496345582 /nfs/dbraw/zinc/34/55/82/496345582.db2.gz UPKROWZYABYDHK-CQSZACIVSA-N 1 1 353.382 3.353 20 5 FGBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000569072449 505844609 /nfs/dbraw/zinc/84/46/09/505844609.db2.gz YCQJGKYNKVQNAG-UHFFFAOYSA-N 1 1 370.409 3.051 20 5 FGBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000175622138 496469510 /nfs/dbraw/zinc/46/95/10/496469510.db2.gz KMCUAIRTPIMJNU-GOEBONIOSA-N 1 1 360.458 3.140 20 5 FGBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000184701004 496499232 /nfs/dbraw/zinc/49/92/32/496499232.db2.gz JBEIRZOACLFRPP-YOEHRIQHSA-N 1 1 358.442 3.121 20 5 FGBDMO Cc1[nH+]ccn1CCCN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000163539607 496529300 /nfs/dbraw/zinc/52/93/00/496529300.db2.gz UZAHQTOGSFMBGA-UHFFFAOYSA-N 1 1 351.794 3.307 20 5 FGBDMO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000153886661 496613707 /nfs/dbraw/zinc/61/37/07/496613707.db2.gz GMNVMQMNALTOIU-YVEFUNNKSA-N 1 1 363.845 3.337 20 5 FGBDMO Cc1ccc(C[N@@H+](CCO)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000181974692 496619539 /nfs/dbraw/zinc/61/95/39/496619539.db2.gz XDTGSGOBPXMPLG-UHFFFAOYSA-N 1 1 371.437 3.035 20 5 FGBDMO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000182187848 496701574 /nfs/dbraw/zinc/70/15/74/496701574.db2.gz JKWSKVZWMIZVJP-HOTGVXAUSA-N 1 1 354.834 3.000 20 5 FGBDMO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000179215630 496714948 /nfs/dbraw/zinc/71/49/48/496714948.db2.gz AAKDRLHHSNGONG-CQSZACIVSA-N 1 1 373.409 3.413 20 5 FGBDMO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000179215630 496714952 /nfs/dbraw/zinc/71/49/52/496714952.db2.gz AAKDRLHHSNGONG-CQSZACIVSA-N 1 1 373.409 3.413 20 5 FGBDMO O=C1CCCCN1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182235733 496716040 /nfs/dbraw/zinc/71/60/40/496716040.db2.gz DADSEVCWTBVWJF-UHFFFAOYSA-N 1 1 351.834 3.225 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H]1c1ccccc1 ZINC000179222099 496716476 /nfs/dbraw/zinc/71/64/76/496716476.db2.gz SJTXKOIAAYYWQB-IRXDYDNUSA-N 1 1 359.813 3.423 20 5 FGBDMO CCC[C@@]1(COC)CCC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000194925350 496762098 /nfs/dbraw/zinc/76/20/98/496762098.db2.gz MYPCPBALHVXKHP-SFHVURJKSA-N 1 1 360.414 3.426 20 5 FGBDMO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000574837379 505864630 /nfs/dbraw/zinc/86/46/30/505864630.db2.gz OEPKJBBNPUCTNM-UHFFFAOYSA-N 1 1 351.834 3.196 20 5 FGBDMO CC(C)NC(=O)c1ccc(NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000195666992 496959333 /nfs/dbraw/zinc/95/93/33/496959333.db2.gz PUTHMZOSCQWHPT-HUUCEWRRSA-N 1 1 362.474 3.265 20 5 FGBDMO COc1ccc([C@@H]2CCC[N@H+]2C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000248372647 496985773 /nfs/dbraw/zinc/98/57/73/496985773.db2.gz BHRUOWISLWDTQU-AEFFLSMTSA-N 1 1 372.421 3.180 20 5 FGBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC000264916747 497009990 /nfs/dbraw/zinc/00/99/90/497009990.db2.gz GWXMZNPMFFESGQ-UHFFFAOYSA-N 1 1 353.422 3.331 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000248434308 497010299 /nfs/dbraw/zinc/01/02/99/497010299.db2.gz RBKWWDQMQHFSMU-QRTARXTBSA-N 1 1 361.442 3.443 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C ZINC000248916417 497135600 /nfs/dbraw/zinc/13/56/00/497135600.db2.gz UBJPNOGREKANHA-SUMWQHHRSA-N 1 1 358.394 3.486 20 5 FGBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000574969782 505894303 /nfs/dbraw/zinc/89/43/03/505894303.db2.gz XUCMPTOPWZWMFS-NSHDSACASA-N 1 1 372.263 3.208 20 5 FGBDMO CC(C)N1CC[NH+](C2CCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000271174402 497280556 /nfs/dbraw/zinc/28/05/56/497280556.db2.gz AWXMWXZWNXGEDT-FNORWQNLSA-N 1 1 372.513 3.098 20 5 FGBDMO O=[N+]([O-])c1cc(CN2CCC(c3[nH]cc[nH+]3)CC2)ccc1Br ZINC000271198690 497288500 /nfs/dbraw/zinc/28/85/00/497288500.db2.gz PPDZCUPBJAGAMG-UHFFFAOYSA-N 1 1 365.231 3.460 20 5 FGBDMO CC[N@@H+](C)CCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000275427377 497323447 /nfs/dbraw/zinc/32/34/47/497323447.db2.gz DPBGBXXINOLPAZ-UHFFFAOYSA-N 1 1 359.376 3.053 20 5 FGBDMO CC[C@@H](C(=O)NCc1cccc([N+](=O)[O-])c1C)[N@@H+](C)Cc1ccccc1 ZINC000581042761 505896371 /nfs/dbraw/zinc/89/63/71/505896371.db2.gz MDHKABFWTUYTMD-SFHVURJKSA-N 1 1 355.438 3.430 20 5 FGBDMO CCn1nccc1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000279161208 497353048 /nfs/dbraw/zinc/35/30/48/497353048.db2.gz ASPHNKRVLLJOPK-UHFFFAOYSA-N 1 1 359.386 3.099 20 5 FGBDMO C[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1c1cccc(F)c1 ZINC000245411385 497391823 /nfs/dbraw/zinc/39/18/23/497391823.db2.gz WQJFUOCCBYVTNN-KPZWWZAWSA-N 1 1 357.385 3.416 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)C[C@H]1CCCCO1 ZINC000266680272 497396613 /nfs/dbraw/zinc/39/66/13/497396613.db2.gz ADSOGSIUSTVJEO-DGCLKSJQSA-N 1 1 355.822 3.076 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)C[C@H]1CCCCO1 ZINC000266680272 497396618 /nfs/dbraw/zinc/39/66/18/497396618.db2.gz ADSOGSIUSTVJEO-DGCLKSJQSA-N 1 1 355.822 3.076 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000193582844 497419919 /nfs/dbraw/zinc/41/99/19/497419919.db2.gz LOPZBVDTNDZQBS-OCCSQVGLSA-N 1 1 368.397 3.309 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cccc1[N+](=O)[O-] ZINC000245493024 497427314 /nfs/dbraw/zinc/42/73/14/497427314.db2.gz KRZOAFRAZIZNPD-ZACQAIPSSA-N 1 1 374.485 3.177 20 5 FGBDMO CC(C)(C)c1ccc(C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000261976754 497485849 /nfs/dbraw/zinc/48/58/49/497485849.db2.gz NTDHQJMMBPNSQQ-SFHVURJKSA-N 1 1 368.437 3.074 20 5 FGBDMO COc1ccc([C@@H](C)C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000245652356 497489238 /nfs/dbraw/zinc/48/92/38/497489238.db2.gz HUEZRGQLVHVSSX-GOEBONIOSA-N 1 1 356.426 3.288 20 5 FGBDMO C[C@@H](Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000245735376 497521839 /nfs/dbraw/zinc/52/18/39/497521839.db2.gz KCQAJQVFVWGXGB-KUHUBIRLSA-N 1 1 368.437 3.218 20 5 FGBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000194049739 497557937 /nfs/dbraw/zinc/55/79/37/497557937.db2.gz FROAIZOAHAFTBC-LJQANCHMSA-N 1 1 353.422 3.218 20 5 FGBDMO O=C1[C@H]([N@@H+]2CCC[C@@H](c3nccs3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000245998266 497593673 /nfs/dbraw/zinc/59/36/73/497593673.db2.gz CHZFNEWJFUYMMI-CZUORRHYSA-N 1 1 372.450 3.036 20 5 FGBDMO O=C1[C@H]([N@H+]2CCC[C@@H](c3nccs3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000245998266 497593674 /nfs/dbraw/zinc/59/36/74/497593674.db2.gz CHZFNEWJFUYMMI-CZUORRHYSA-N 1 1 372.450 3.036 20 5 FGBDMO O=C1[C@@H]([N@H+]2CC[C@H](c3ccccc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000246006985 497594802 /nfs/dbraw/zinc/59/48/02/497594802.db2.gz GHSNFMMQKCCLGH-LPHOPBHVSA-N 1 1 351.406 3.190 20 5 FGBDMO C[C@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1 ZINC000272565259 497664227 /nfs/dbraw/zinc/66/42/27/497664227.db2.gz UTUDCGJBFHXSQX-BEFAXECRSA-N 1 1 366.421 3.475 20 5 FGBDMO C[C@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1 ZINC000272565262 497664372 /nfs/dbraw/zinc/66/43/72/497664372.db2.gz UTUDCGJBFHXSQX-DNVCBOLYSA-N 1 1 366.421 3.475 20 5 FGBDMO C[C@@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000272579523 497668234 /nfs/dbraw/zinc/66/82/34/497668234.db2.gz XTTNGUWYRWKDOJ-GJYPPUQNSA-N 1 1 371.485 3.128 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000569392640 505924175 /nfs/dbraw/zinc/92/41/75/505924175.db2.gz UGNLBIFFDIBSBL-FQEVSTJZSA-N 1 1 358.413 3.469 20 5 FGBDMO O=C(C[C@@H]1CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000246383373 497716079 /nfs/dbraw/zinc/71/60/79/497716079.db2.gz ZVFNWZCLIKORPR-WMLDXEAASA-N 1 1 360.435 3.427 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000194712294 497746699 /nfs/dbraw/zinc/74/66/99/497746699.db2.gz SJHIVWHYFWZSJJ-KRWDZBQOSA-N 1 1 353.422 3.298 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246586634 497782522 /nfs/dbraw/zinc/78/25/22/497782522.db2.gz ZVVCFLYZBJKWHE-UXLLHSPISA-N 1 1 362.474 3.336 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000263694027 497809059 /nfs/dbraw/zinc/80/90/59/497809059.db2.gz PPEWAVZWWVGVQM-UHFFFAOYSA-N 1 1 356.426 3.279 20 5 FGBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000280629809 497833506 /nfs/dbraw/zinc/83/35/06/497833506.db2.gz LQTKZBJAULKQKS-LBPRGKRZSA-N 1 1 371.840 3.166 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000334009737 497846095 /nfs/dbraw/zinc/84/60/95/497846095.db2.gz NQJWJFIJTQBHTQ-OLZOCXBDSA-N 1 1 351.472 3.308 20 5 FGBDMO COc1ccc(NC(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000292113368 497883586 /nfs/dbraw/zinc/88/35/86/497883586.db2.gz JGZIPHSWHQXUBY-UHFFFAOYSA-N 1 1 373.409 3.075 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2C[C@H](O)C(C)(C)C2)cc1OC ZINC000581290336 505952529 /nfs/dbraw/zinc/95/25/29/505952529.db2.gz GFQSFDXJLAULSI-UGSOOPFHSA-N 1 1 366.458 3.231 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2C[C@H](O)C(C)(C)C2)cc1OC ZINC000581290336 505952530 /nfs/dbraw/zinc/95/25/30/505952530.db2.gz GFQSFDXJLAULSI-UGSOOPFHSA-N 1 1 366.458 3.231 20 5 FGBDMO CC(=O)N1CCC([N@H+](Cc2cncs2)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000292322747 497969956 /nfs/dbraw/zinc/96/99/56/497969956.db2.gz FMMJPCJOSDOSDB-UHFFFAOYSA-N 1 1 374.466 3.064 20 5 FGBDMO CC(=O)N1CCC([N@@H+](Cc2cncs2)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000292322747 497969963 /nfs/dbraw/zinc/96/99/63/497969963.db2.gz FMMJPCJOSDOSDB-UHFFFAOYSA-N 1 1 374.466 3.064 20 5 FGBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC000280977362 497973255 /nfs/dbraw/zinc/97/32/55/497973255.db2.gz PBCJURMYNBMOQF-HNNXBMFYSA-N 1 1 368.437 3.071 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CSC)C1 ZINC000292430585 498011997 /nfs/dbraw/zinc/01/19/97/498011997.db2.gz NOBIQANVQDXERU-CHWSQXEVSA-N 1 1 367.471 3.005 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CSC)C1 ZINC000292430585 498012002 /nfs/dbraw/zinc/01/20/02/498012002.db2.gz NOBIQANVQDXERU-CHWSQXEVSA-N 1 1 367.471 3.005 20 5 FGBDMO CCOCCC[N@H+]1CC[C@@H](NCc2c(F)cc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000285256156 498035780 /nfs/dbraw/zinc/03/57/80/498035780.db2.gz IQBCWFGJEAVNIJ-FZKQIMNGSA-N 1 1 371.428 3.100 20 5 FGBDMO CCc1nc(C[NH+]2CCC(CNc3ncccc3[N+](=O)[O-])CC2)cs1 ZINC000301287428 498039836 /nfs/dbraw/zinc/03/98/36/498039836.db2.gz VQWZKFZYIZKQPN-UHFFFAOYSA-N 1 1 361.471 3.333 20 5 FGBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000581390356 505977109 /nfs/dbraw/zinc/97/71/09/505977109.db2.gz MDAFVYOTMQCVPP-HNNXBMFYSA-N 1 1 364.446 3.380 20 5 FGBDMO COc1cc(F)c([N+](=O)[O-])c(N2CC[NH+](Cc3cccc(C)c3)CC2)c1 ZINC000301446945 498114921 /nfs/dbraw/zinc/11/49/21/498114921.db2.gz QKBVUGJNLLVGSD-UHFFFAOYSA-N 1 1 359.401 3.373 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000289440984 498147165 /nfs/dbraw/zinc/14/71/65/498147165.db2.gz DTSBFRCFFIBMRP-IEBWSBKVSA-N 1 1 373.453 3.265 20 5 FGBDMO Cc1cc(N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ncc1[N+](=O)[O-] ZINC000301526036 498148918 /nfs/dbraw/zinc/14/89/18/498148918.db2.gz GBGICUVMMFMHFY-IYBDPMFKSA-N 1 1 362.474 3.014 20 5 FGBDMO Cc1ccc2cc(C[N@H+]3CCC[C@@H](n4cc([N+](=O)[O-])cn4)C3)ccc2n1 ZINC000364839019 498167003 /nfs/dbraw/zinc/16/70/03/498167003.db2.gz IAJYMVZCJCPTDH-QGZVFWFLSA-N 1 1 351.410 3.485 20 5 FGBDMO Cc1c(Cc2noc([C@@H]3CCC[N@H+]3C3CCOCC3)n2)cccc1[N+](=O)[O-] ZINC000364853831 498174202 /nfs/dbraw/zinc/17/42/02/498174202.db2.gz MBQGAMVJXJVMFX-KRWDZBQOSA-N 1 1 372.425 3.193 20 5 FGBDMO Cc1nc(N2CCC[N@@H+](CCCc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000301619850 498191208 /nfs/dbraw/zinc/19/12/08/498191208.db2.gz DPNIKNQKSFTDDF-UHFFFAOYSA-N 1 1 354.454 3.443 20 5 FGBDMO CC(C)N(C)C(=O)C1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000330789326 498194768 /nfs/dbraw/zinc/19/47/68/498194768.db2.gz AZUYTHHTCZUMJA-UHFFFAOYSA-N 1 1 353.850 3.327 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)c1 ZINC000301733458 498243164 /nfs/dbraw/zinc/24/31/64/498243164.db2.gz UEDJWYRVZIFVOY-HKUYNNGSSA-N 1 1 355.438 3.198 20 5 FGBDMO C[C@@H](Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000301732841 498243627 /nfs/dbraw/zinc/24/36/27/498243627.db2.gz AAYCIHODUIMWAJ-AMIZOPFISA-N 1 1 367.755 3.398 20 5 FGBDMO C[C@@H](Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000301732841 498243632 /nfs/dbraw/zinc/24/36/32/498243632.db2.gz AAYCIHODUIMWAJ-AMIZOPFISA-N 1 1 367.755 3.398 20 5 FGBDMO O=[N+]([O-])c1cc(F)c(NCc2cccc(C[NH+]3CCOCC3)c2)c(F)c1 ZINC000301757440 498253876 /nfs/dbraw/zinc/25/38/76/498253876.db2.gz ACBFPCUCGUTUPK-UHFFFAOYSA-N 1 1 363.364 3.317 20 5 FGBDMO CC(C)[C@]1(CO)CCC[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000293076367 498260118 /nfs/dbraw/zinc/26/01/18/498260118.db2.gz OMAZPLAHQWMGIA-AUUYWEPGSA-N 1 1 374.441 3.436 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@H]3c3cc[nH]n3)o2)c1 ZINC000286095849 498290962 /nfs/dbraw/zinc/29/09/62/498290962.db2.gz KVSGUGKIDGUPEE-INIZCTEOSA-N 1 1 353.382 3.353 20 5 FGBDMO CCOC(=O)c1ccnc(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000301848133 498291818 /nfs/dbraw/zinc/29/18/18/498291818.db2.gz VGYDDJFJNSSDLE-CVEARBPZSA-N 1 1 370.409 3.024 20 5 FGBDMO COc1cc(NCC[N@H+]2CCc3ccccc3C2)c([N+](=O)[O-])cc1OC ZINC000301939521 498337414 /nfs/dbraw/zinc/33/74/14/498337414.db2.gz TTWFIFGMGGCQMB-UHFFFAOYSA-N 1 1 357.410 3.082 20 5 FGBDMO C[C@@H](C1CCCCC1)[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000331464429 498339779 /nfs/dbraw/zinc/33/97/79/498339779.db2.gz FVXYXJKERRGKRF-LBPRGKRZSA-N 1 1 363.414 3.163 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@H](Nc3sccc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000302028990 498374680 /nfs/dbraw/zinc/37/46/80/498374680.db2.gz RIMVZBJKZJHBMU-ZDUSSCGKSA-N 1 1 363.439 3.360 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@H](Nc3sccc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000302028990 498374686 /nfs/dbraw/zinc/37/46/86/498374686.db2.gz RIMVZBJKZJHBMU-ZDUSSCGKSA-N 1 1 363.439 3.360 20 5 FGBDMO COc1cccc([C@H]2[C@H](Nc3ccc([N+](=O)[O-])cn3)CC[N@H+]2C2CC2)c1 ZINC000302063657 498392802 /nfs/dbraw/zinc/39/28/02/498392802.db2.gz RVIPWQUHVXZCBA-MJGOQNOKSA-N 1 1 354.410 3.388 20 5 FGBDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000361672865 498418961 /nfs/dbraw/zinc/41/89/61/498418961.db2.gz YRNSUJDIXKOVQD-PKOBYXMFSA-N 1 1 366.421 3.055 20 5 FGBDMO C[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000302151429 498419192 /nfs/dbraw/zinc/41/91/92/498419192.db2.gz BRPNVRVQMYXFSQ-INIZCTEOSA-N 1 1 356.426 3.323 20 5 FGBDMO CCC(=O)CCC[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000569857127 506032650 /nfs/dbraw/zinc/03/26/50/506032650.db2.gz XKQYCCPFJHFUPC-UHFFFAOYSA-N 1 1 373.375 3.495 20 5 FGBDMO Cc1cc(NCC[N@@H+]2CC=C(C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302183448 498432775 /nfs/dbraw/zinc/43/27/75/498432775.db2.gz ZREZTNFXUJIARW-UHFFFAOYSA-N 1 1 353.426 3.424 20 5 FGBDMO O=C([C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1)N1CCCC1 ZINC000331744140 498439583 /nfs/dbraw/zinc/43/95/83/498439583.db2.gz XAAFLBYGNYAYCZ-CQSZACIVSA-N 1 1 351.834 3.083 20 5 FGBDMO CN(C)CC[NH+]1CCC(Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000302248240 498458646 /nfs/dbraw/zinc/45/86/46/498458646.db2.gz VALLNXFARWBRNM-UHFFFAOYSA-N 1 1 361.273 3.340 20 5 FGBDMO C[C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000293749050 498476513 /nfs/dbraw/zinc/47/65/13/498476513.db2.gz SIHCCEFMEPEZMA-LBPRGKRZSA-N 1 1 351.834 3.195 20 5 FGBDMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C2CC2)C[C@@H]1C ZINC000578877111 506042996 /nfs/dbraw/zinc/04/29/96/506042996.db2.gz ZKMGBFNHBDHODM-KBPBESRZSA-N 1 1 370.457 3.107 20 5 FGBDMO Cn1nccc1[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000362445445 498517326 /nfs/dbraw/zinc/51/73/26/498517326.db2.gz AEPLMPFHRSKAAM-OAHLLOKOSA-N 1 1 367.409 3.363 20 5 FGBDMO Cc1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)nc(N2CCCC2)n1 ZINC000293900930 498527857 /nfs/dbraw/zinc/52/78/57/498527857.db2.gz ZNVHSWKJOCDHBB-HNNXBMFYSA-N 1 1 355.442 3.453 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000365583780 498543993 /nfs/dbraw/zinc/54/39/93/498543993.db2.gz ZFDYRSXXDXWLQA-DLBZAZTESA-N 1 1 369.421 3.457 20 5 FGBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCN2c2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000302739681 498554428 /nfs/dbraw/zinc/55/44/28/498554428.db2.gz CGZZOBPJOBASIK-VNHYZAJKSA-N 1 1 353.850 3.326 20 5 FGBDMO C[C@@H]1C[N@H+](C[C@H]2CCCN2c2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000302739681 498554432 /nfs/dbraw/zinc/55/44/32/498554432.db2.gz CGZZOBPJOBASIK-VNHYZAJKSA-N 1 1 353.850 3.326 20 5 FGBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000332137801 498575470 /nfs/dbraw/zinc/57/54/70/498575470.db2.gz QEWAAKDPGAVVAI-BRWVUGGUSA-N 1 1 361.486 3.477 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000287007576 498588388 /nfs/dbraw/zinc/58/83/88/498588388.db2.gz CPRHRCXJHLSWKY-NNQSOWQGSA-N 1 1 362.430 3.082 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc(CNc2c3c(ccc2[N+](=O)[O-])NCC3)cn1 ZINC000302855909 498601360 /nfs/dbraw/zinc/60/13/60/498601360.db2.gz RXGJQLXONDCCON-UHFFFAOYSA-N 1 1 350.382 3.064 20 5 FGBDMO C[C@H]1[C@H](N2CCCC2)CC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000287068648 498615967 /nfs/dbraw/zinc/61/59/67/498615967.db2.gz UUDKJLFZECHAMZ-MAUKXSAKSA-N 1 1 370.453 3.351 20 5 FGBDMO C[C@H]1[C@H](N2CCCC2)CC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000287068648 498615974 /nfs/dbraw/zinc/61/59/74/498615974.db2.gz UUDKJLFZECHAMZ-MAUKXSAKSA-N 1 1 370.453 3.351 20 5 FGBDMO C[C@@H](C(=O)NCCC[N@@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000569998011 506064874 /nfs/dbraw/zinc/06/48/74/506064874.db2.gz LNWHFUKPUZHPPC-MRXNPFEDSA-N 1 1 355.438 3.337 20 5 FGBDMO CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000303332618 498666009 /nfs/dbraw/zinc/66/60/09/498666009.db2.gz CWSIAUGRFGSUPL-LJQANCHMSA-N 1 1 369.421 3.101 20 5 FGBDMO Cc1cc(C)nc(N2CC[NH+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)n1 ZINC000332401355 498677860 /nfs/dbraw/zinc/67/78/60/498677860.db2.gz SXJGRFWJHPWVEK-INIZCTEOSA-N 1 1 355.442 3.193 20 5 FGBDMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000332612361 498742158 /nfs/dbraw/zinc/74/21/58/498742158.db2.gz QDCCQTDFDSQSLH-YPMHNXCESA-N 1 1 352.822 3.339 20 5 FGBDMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000332616802 498743590 /nfs/dbraw/zinc/74/35/90/498743590.db2.gz QFADRKKYNOOGFY-HIFRSBDPSA-N 1 1 363.433 3.097 20 5 FGBDMO Cc1cccc(CCC[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000287493089 498777225 /nfs/dbraw/zinc/77/72/25/498777225.db2.gz NKCFNRNAZUWVLL-IBGZPJMESA-N 1 1 365.437 3.344 20 5 FGBDMO CCn1c(C)nc([N+](=O)[O-])c1Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000576186491 506097010 /nfs/dbraw/zinc/09/70/10/506097010.db2.gz FRWSWKIGAIGLJS-ZDUSSCGKSA-N 1 1 359.430 3.256 20 5 FGBDMO Cc1cccc(NC2CCN(C(=O)c3cccc(C)c3[N+](=O)[O-])CC2)[nH+]1 ZINC000363543318 498869433 /nfs/dbraw/zinc/86/94/33/498869433.db2.gz BYVWBIINCJJXQR-UHFFFAOYSA-N 1 1 354.410 3.323 20 5 FGBDMO O=C1COc2ccc(C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)cc2N1 ZINC000295356122 498989867 /nfs/dbraw/zinc/98/98/67/498989867.db2.gz NLAYKTHOGWNDGG-UHFFFAOYSA-N 1 1 353.378 3.090 20 5 FGBDMO O=C1COc2ccc(C[N@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)cc2N1 ZINC000295356122 498989869 /nfs/dbraw/zinc/98/98/69/498989869.db2.gz NLAYKTHOGWNDGG-UHFFFAOYSA-N 1 1 353.378 3.090 20 5 FGBDMO C[C@@H](NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000284275818 499081566 /nfs/dbraw/zinc/08/15/66/499081566.db2.gz XQEMCIHNOAGLDJ-UKRRQHHQSA-N 1 1 362.430 3.246 20 5 FGBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000369993830 499162878 /nfs/dbraw/zinc/16/28/78/499162878.db2.gz FGJUJVNSAIBOJN-OAHLLOKOSA-N 1 1 368.437 3.035 20 5 FGBDMO CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000370367466 499213627 /nfs/dbraw/zinc/21/36/27/499213627.db2.gz VHFYWWGCNYTERM-CQSZACIVSA-N 1 1 373.413 3.059 20 5 FGBDMO CC(C)(C)CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C[C@H]21 ZINC000370587878 499233733 /nfs/dbraw/zinc/23/37/33/499233733.db2.gz HJOJCENFRXYLHP-WMLDXEAASA-N 1 1 363.433 3.203 20 5 FGBDMO CC(C)(C)CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C[C@H]21 ZINC000370587878 499233735 /nfs/dbraw/zinc/23/37/35/499233735.db2.gz HJOJCENFRXYLHP-WMLDXEAASA-N 1 1 363.433 3.203 20 5 FGBDMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000370703609 499246086 /nfs/dbraw/zinc/24/60/86/499246086.db2.gz ZPVHSRJEBXXPBY-JKSUJKDBSA-N 1 1 351.834 3.224 20 5 FGBDMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000370703609 499246088 /nfs/dbraw/zinc/24/60/88/499246088.db2.gz ZPVHSRJEBXXPBY-JKSUJKDBSA-N 1 1 351.834 3.224 20 5 FGBDMO Cc1c(CC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C(C)C)cccc1[N+](=O)[O-] ZINC000370816128 499258017 /nfs/dbraw/zinc/25/80/17/499258017.db2.gz JDQTYSLICQSIJK-QGZVFWFLSA-N 1 1 370.453 3.457 20 5 FGBDMO O=C(c1cccs1)C1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000371002734 499279228 /nfs/dbraw/zinc/27/92/28/499279228.db2.gz CKIUPXZJLSOJDS-INIZCTEOSA-N 1 1 360.435 3.285 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCC(c4c[nH]cn4)CC3)co2)cc1 ZINC000371184867 499296818 /nfs/dbraw/zinc/29/68/18/499296818.db2.gz POKHLMSYWGMRLO-UHFFFAOYSA-N 1 1 353.382 3.353 20 5 FGBDMO COc1cc2c(cc1OC)[C@@H](C)[N@H+](Cc1c([N+](=O)[O-])ncn1C)C[C@@H](C)C2 ZINC000371359844 499314923 /nfs/dbraw/zinc/31/49/23/499314923.db2.gz MFRQECUWCHLGCX-QWHCGFSZSA-N 1 1 374.441 3.101 20 5 FGBDMO COc1cc2c(cc1OC)[C@@H](C)[N@@H+](Cc1c([N+](=O)[O-])ncn1C)C[C@@H](C)C2 ZINC000371359844 499314924 /nfs/dbraw/zinc/31/49/24/499314924.db2.gz MFRQECUWCHLGCX-QWHCGFSZSA-N 1 1 374.441 3.101 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+][C@H]1CCOC2(CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000371585854 499344530 /nfs/dbraw/zinc/34/45/30/499344530.db2.gz VTTOYDYPKDIDBO-WMZOPIPTSA-N 1 1 370.453 3.499 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+][C@H]1CCOC2(CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000371585850 499344712 /nfs/dbraw/zinc/34/47/12/499344712.db2.gz VTTOYDYPKDIDBO-FUHWJXTLSA-N 1 1 370.453 3.499 20 5 FGBDMO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000373323696 499463496 /nfs/dbraw/zinc/46/34/96/499463496.db2.gz YROONHUPRZIQGK-TZMCWYRMSA-N 1 1 371.359 3.104 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1c1ccc(CNC(C)=O)o1 ZINC000373771526 499487187 /nfs/dbraw/zinc/48/71/87/499487187.db2.gz MQHLVTXNNDBAML-KRWDZBQOSA-N 1 1 373.409 3.170 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1c1ccc(CNC(C)=O)o1 ZINC000373771526 499487188 /nfs/dbraw/zinc/48/71/88/499487188.db2.gz MQHLVTXNNDBAML-KRWDZBQOSA-N 1 1 373.409 3.170 20 5 FGBDMO C[C@H]1[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCC12CCOCC2 ZINC000375235344 499497559 /nfs/dbraw/zinc/49/75/59/499497559.db2.gz AGQVQZYXYJDVEZ-GFCCVEGCSA-N 1 1 367.833 3.078 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000375292304 499503740 /nfs/dbraw/zinc/50/37/40/499503740.db2.gz MBVSYYRMMSHXNT-OAHLLOKOSA-N 1 1 356.426 3.013 20 5 FGBDMO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cc1[N+](=O)[O-] ZINC000573237591 506150355 /nfs/dbraw/zinc/15/03/55/506150355.db2.gz QXYWGZPUGTXXBW-MAUKXSAKSA-N 1 1 353.422 3.296 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000376294437 499598295 /nfs/dbraw/zinc/59/82/95/499598295.db2.gz BEMNNGOARYYHSA-HNNXBMFYSA-N 1 1 359.357 3.306 20 5 FGBDMO CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])C2 ZINC000376621652 499623914 /nfs/dbraw/zinc/62/39/14/499623914.db2.gz GCMKBJFDRJFZNI-CYBMUJFWSA-N 1 1 356.426 3.205 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000376833402 499638946 /nfs/dbraw/zinc/63/89/46/499638946.db2.gz IKMPFAYOWIMDDQ-UHFFFAOYSA-N 1 1 357.389 3.328 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CCC(c3c[nH]cn3)CC2)c1 ZINC000377234419 499672541 /nfs/dbraw/zinc/67/25/41/499672541.db2.gz WXMZSSFLYFLEIX-UHFFFAOYSA-N 1 1 352.341 3.299 20 5 FGBDMO COc1ccc(NC(=O)CC[N@H+](CC(F)F)CC2CCC2)c([N+](=O)[O-])c1 ZINC000411411607 499736740 /nfs/dbraw/zinc/73/67/40/499736740.db2.gz GMTPUQJUESCIAX-UHFFFAOYSA-N 1 1 371.384 3.299 20 5 FGBDMO COc1ccc(NC(=O)CC[N@@H+](CC(F)F)CC2CCC2)c([N+](=O)[O-])c1 ZINC000411411607 499736742 /nfs/dbraw/zinc/73/67/42/499736742.db2.gz GMTPUQJUESCIAX-UHFFFAOYSA-N 1 1 371.384 3.299 20 5 FGBDMO Cc1ncc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])c(C)n3)[C@@H](C)C2)s1 ZINC000378133417 499760391 /nfs/dbraw/zinc/76/03/91/499760391.db2.gz KVSDKMTUAJZVSI-XHDPSFHLSA-N 1 1 361.471 3.386 20 5 FGBDMO O=C(Nc1ccccn1)C1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000378168126 499761816 /nfs/dbraw/zinc/76/18/16/499761816.db2.gz DEWWXICOLMTKFI-UHFFFAOYSA-N 1 1 374.828 3.494 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000411767672 499788530 /nfs/dbraw/zinc/78/85/30/499788530.db2.gz BNMHIWFCOMTCSC-ZBFHGGJFSA-N 1 1 361.442 3.443 20 5 FGBDMO COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1C ZINC000411771482 499788915 /nfs/dbraw/zinc/78/89/15/499788915.db2.gz OMIKQSVUMCHCPL-WCQYABFASA-N 1 1 373.409 3.248 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CCn1c[nH+]c2c1C[C@@H](C)[C@@H](C)C2 ZINC000411781957 499789896 /nfs/dbraw/zinc/78/98/96/499789896.db2.gz GSGJRJUAKVPFBE-QWHCGFSZSA-N 1 1 372.425 3.200 20 5 FGBDMO CC(C)Oc1cc(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000412031544 499814728 /nfs/dbraw/zinc/81/47/28/499814728.db2.gz FXTBJIVUXTULIK-OAHLLOKOSA-N 1 1 361.442 3.129 20 5 FGBDMO COC(=O)[C@@]1(C)CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000412078669 499821207 /nfs/dbraw/zinc/82/12/07/499821207.db2.gz UOOHBTLYCICYAG-SFHVURJKSA-N 1 1 359.382 3.025 20 5 FGBDMO COC(=O)[C@@]1(C)CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000412078669 499821208 /nfs/dbraw/zinc/82/12/08/499821208.db2.gz UOOHBTLYCICYAG-SFHVURJKSA-N 1 1 359.382 3.025 20 5 FGBDMO CC(C)(C(=O)N1CCC[N@@H+](CC2CCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000412307057 499843287 /nfs/dbraw/zinc/84/32/87/499843287.db2.gz GXYCZJNIPMHJTR-UHFFFAOYSA-N 1 1 359.470 3.207 20 5 FGBDMO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000412317970 499844425 /nfs/dbraw/zinc/84/44/25/499844425.db2.gz XYKJJOSHBZANTF-UHFFFAOYSA-N 1 1 357.410 3.289 20 5 FGBDMO Cn1cc[nH+]c1C[C@@H]1CCCN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413213187 499927844 /nfs/dbraw/zinc/92/78/44/499927844.db2.gz YCDZGQDMGRTKBS-AWEZNQCLSA-N 1 1 351.410 3.336 20 5 FGBDMO C[C@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)CC[N@H+]1Cc1ccccc1 ZINC000413535642 499983794 /nfs/dbraw/zinc/98/37/94/499983794.db2.gz TZMOPYURLPVFGW-ZDUSSCGKSA-N 1 1 369.450 3.310 20 5 FGBDMO COc1ccc(OCC[N@H+]2Cc3ccccc3O[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000429163489 500016886 /nfs/dbraw/zinc/01/68/86/500016886.db2.gz NPOQVCLSTVUANM-CQSZACIVSA-N 1 1 358.394 3.265 20 5 FGBDMO COc1ccc(OCC[N@@H+]2Cc3ccccc3O[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000429163489 500016890 /nfs/dbraw/zinc/01/68/90/500016890.db2.gz NPOQVCLSTVUANM-CQSZACIVSA-N 1 1 358.394 3.265 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000421421745 500043380 /nfs/dbraw/zinc/04/33/80/500043380.db2.gz LINCCCSSRXABOM-KRWDZBQOSA-N 1 1 353.422 3.216 20 5 FGBDMO C[N@@H+](CCCn1ccnc1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425414068 500097833 /nfs/dbraw/zinc/09/78/33/500097833.db2.gz CLRXGYITVGYSPN-UHFFFAOYSA-N 1 1 353.220 3.076 20 5 FGBDMO CCn1cc([C@@H](C)[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])cn1 ZINC000425491673 500121930 /nfs/dbraw/zinc/12/19/30/500121930.db2.gz MOYIFIGCKONART-SNVBAGLBSA-N 1 1 353.220 3.425 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C[C@H](O)COc1ccccc1)C(C)C ZINC000430237579 500213342 /nfs/dbraw/zinc/21/33/42/500213342.db2.gz FMRSACPGLMNKLM-SFHVURJKSA-N 1 1 374.437 3.254 20 5 FGBDMO C[C@@H]1C[C@]2(CCO1)C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@@H](C)O2 ZINC000430253309 500215641 /nfs/dbraw/zinc/21/56/41/500215641.db2.gz IIHMRFQNFSGKGO-GPMSIDNRSA-N 1 1 364.442 3.022 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000430301529 500223901 /nfs/dbraw/zinc/22/39/01/500223901.db2.gz KBHBUNOHNMTJAT-HNNXBMFYSA-N 1 1 369.421 3.088 20 5 FGBDMO Cc1nc(N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)ccc1[N+](=O)[O-] ZINC000582318477 506185686 /nfs/dbraw/zinc/18/56/86/506185686.db2.gz VCUPMXXSOITEEQ-FQEVSTJZSA-N 1 1 352.438 3.401 20 5 FGBDMO Cc1c(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cccc1[N+](=O)[O-] ZINC000423081846 500340134 /nfs/dbraw/zinc/34/01/34/500340134.db2.gz VTDRRRGANALBPK-YLJYHZDGSA-N 1 1 353.422 3.249 20 5 FGBDMO NC(=O)c1cccc([N+](=O)[O-])c1NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000420587887 500475078 /nfs/dbraw/zinc/47/50/78/500475078.db2.gz RDZWPZZSQJHYLM-ZDUSSCGKSA-N 1 1 374.466 3.079 20 5 FGBDMO Cn1cc[nH+]c1CC1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432330977 500500241 /nfs/dbraw/zinc/50/02/41/500500241.db2.gz HTBKCWFQZWYNRM-UHFFFAOYSA-N 1 1 351.410 3.336 20 5 FGBDMO O=C(C[N@H+]1CCC[C@@H](c2ccccc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000433052524 500614560 /nfs/dbraw/zinc/61/45/60/500614560.db2.gz LQYCISAZLWBRAW-GOSISDBHSA-N 1 1 365.433 3.364 20 5 FGBDMO CC1(C)CCC[N@@H+](CCNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000444612061 500867135 /nfs/dbraw/zinc/86/71/35/500867135.db2.gz SKILYIHYZCDAFW-UHFFFAOYSA-N 1 1 362.474 3.025 20 5 FGBDMO Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(N2CCCC2)[nH+]1 ZINC000611582202 506221553 /nfs/dbraw/zinc/22/15/53/506221553.db2.gz HGXXXDWFOYWYHV-UHFFFAOYSA-N 1 1 374.828 3.482 20 5 FGBDMO CC[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H]1CCCC[C@H]1C ZINC000444674178 500877059 /nfs/dbraw/zinc/87/70/59/500877059.db2.gz JTOSWFTVSTXNFO-TZMCWYRMSA-N 1 1 363.414 3.163 20 5 FGBDMO Cc1cc(C)cc(C[N@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000444713083 500885065 /nfs/dbraw/zinc/88/50/65/500885065.db2.gz FBBARVRHJUMWTR-UHFFFAOYSA-N 1 1 371.393 3.011 20 5 FGBDMO Cc1cc(C)cc(C[N@@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000444713083 500885067 /nfs/dbraw/zinc/88/50/67/500885067.db2.gz FBBARVRHJUMWTR-UHFFFAOYSA-N 1 1 371.393 3.011 20 5 FGBDMO Cc1ccc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(N2CCCC2)[nH+]1 ZINC000611582836 506222826 /nfs/dbraw/zinc/22/28/26/506222826.db2.gz MPIWFZWNBGDIOV-UHFFFAOYSA-N 1 1 374.828 3.482 20 5 FGBDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000439692517 500926937 /nfs/dbraw/zinc/92/69/37/500926937.db2.gz JCCUWFOFXUNATM-INIZCTEOSA-N 1 1 367.877 3.417 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]CC(C)(C)c1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000449393085 500992233 /nfs/dbraw/zinc/99/22/33/500992233.db2.gz ATHOJGRPZSWEEJ-GOSISDBHSA-N 1 1 365.437 3.380 20 5 FGBDMO CC[N@@H+](Cc1ccc(-c2nc(-c3c([N+](=O)[O-])ncn3C)no2)cc1)C(C)C ZINC000445578934 501005387 /nfs/dbraw/zinc/00/53/87/501005387.db2.gz JRKARXHPCBKIDU-UHFFFAOYSA-N 1 1 370.413 3.276 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+]3CC[C@](O)(C(F)F)C3)o2)c([N+](=O)[O-])c1 ZINC000449470667 501010807 /nfs/dbraw/zinc/01/08/07/501010807.db2.gz NVEXKWZICSQOGT-QGZVFWFLSA-N 1 1 368.336 3.065 20 5 FGBDMO C[N@H+](CCc1ccccn1)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602607014 506229540 /nfs/dbraw/zinc/22/95/40/506229540.db2.gz FPFQUWNDKHVFKI-UHFFFAOYSA-N 1 1 356.245 3.488 20 5 FGBDMO C[N@@H+](CCc1ccccn1)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602607014 506229547 /nfs/dbraw/zinc/22/95/47/506229547.db2.gz FPFQUWNDKHVFKI-UHFFFAOYSA-N 1 1 356.245 3.488 20 5 FGBDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(=O)N1c2ccccc2C[C@@H]1C ZINC000449644512 501048452 /nfs/dbraw/zinc/04/84/52/501048452.db2.gz FLSGHHFDFHLEST-QWHCGFSZSA-N 1 1 357.385 3.190 20 5 FGBDMO CCOC(=O)[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])Cc2ccccc21 ZINC000441138701 501093289 /nfs/dbraw/zinc/09/32/89/501093289.db2.gz ILWGSZFOHRGHSI-QGZVFWFLSA-N 1 1 370.405 3.136 20 5 FGBDMO CCOC(=O)[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])Cc2ccccc21 ZINC000441138701 501093292 /nfs/dbraw/zinc/09/32/92/501093292.db2.gz ILWGSZFOHRGHSI-QGZVFWFLSA-N 1 1 370.405 3.136 20 5 FGBDMO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000450531905 501146868 /nfs/dbraw/zinc/14/68/68/501146868.db2.gz VFPTZOSHFZBXSV-CJNGLKHVSA-N 1 1 374.466 3.018 20 5 FGBDMO Cc1nc(N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)ncc1[N+](=O)[O-] ZINC000450221085 501213016 /nfs/dbraw/zinc/21/30/16/501213016.db2.gz OKYNVUMZHTVDCK-UHFFFAOYSA-N 1 1 355.442 3.139 20 5 FGBDMO C[C@H]1Cc2[nH+]cn(CCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)c2C[C@@H]1C ZINC000451004314 501238416 /nfs/dbraw/zinc/23/84/16/501238416.db2.gz WQFWSVZIRIJWCC-STQMWFEESA-N 1 1 370.409 3.160 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CCC[C@@H]3O)n2)c1 ZINC000451339765 501269498 /nfs/dbraw/zinc/26/94/98/501269498.db2.gz JWJHUYKRNCIVGY-BBWFWOEESA-N 1 1 372.425 3.160 20 5 FGBDMO O=[N+]([O-])c1cccc([C@H](NC[C@H]2CCCC[N@H+]2CCO)c2ccccc2)c1 ZINC000453270378 501303638 /nfs/dbraw/zinc/30/36/38/501303638.db2.gz SKNNAKXXIBHJGA-NHCUHLMSSA-N 1 1 369.465 3.121 20 5 FGBDMO O=[N+]([O-])c1cccc([C@H](NC[C@H]2CCCC[N@@H+]2CCO)c2ccccc2)c1 ZINC000453270378 501303640 /nfs/dbraw/zinc/30/36/40/501303640.db2.gz SKNNAKXXIBHJGA-NHCUHLMSSA-N 1 1 369.465 3.121 20 5 FGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]Cc1cnc2n1CCCC2 ZINC000602652079 506245768 /nfs/dbraw/zinc/24/57/68/506245768.db2.gz JGPIYSPMYRZKGT-UHFFFAOYSA-N 1 1 354.332 3.436 20 5 FGBDMO NC(=O)[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548451 501320001 /nfs/dbraw/zinc/32/00/01/501320001.db2.gz NIHCWIJEJZKREC-CRAIPNDOSA-N 1 1 357.385 3.140 20 5 FGBDMO NC(=O)[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548451 501320003 /nfs/dbraw/zinc/32/00/03/501320003.db2.gz NIHCWIJEJZKREC-CRAIPNDOSA-N 1 1 357.385 3.140 20 5 FGBDMO CCO[C@@H]1CC[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000451550578 501320705 /nfs/dbraw/zinc/32/07/05/501320705.db2.gz XAWPDOJZRCCTBV-DVOMOZLQSA-N 1 1 360.414 3.453 20 5 FGBDMO CCc1ccc([C@H]([NH2+]C[C@]2(C)CCC(=O)N2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000453425132 501329323 /nfs/dbraw/zinc/32/93/23/501329323.db2.gz ODIZNWZFOPHQMN-MOPGFXCFSA-N 1 1 357.410 3.098 20 5 FGBDMO Cc1c(C[N@@H+](CCC(N)=O)[C@@H]2CCOc3ccccc32)cccc1[N+](=O)[O-] ZINC000451721829 501360201 /nfs/dbraw/zinc/36/02/01/501360201.db2.gz GUWFAHBQLPLTLR-GOSISDBHSA-N 1 1 369.421 3.104 20 5 FGBDMO CO[C@@H]1C[C@@H]([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000451862942 501388009 /nfs/dbraw/zinc/38/80/09/501388009.db2.gz YKQUNGYNDXIADE-HUUCEWRRSA-N 1 1 367.833 3.076 20 5 FGBDMO CO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000451862942 501388012 /nfs/dbraw/zinc/38/80/12/501388012.db2.gz YKQUNGYNDXIADE-HUUCEWRRSA-N 1 1 367.833 3.076 20 5 FGBDMO COc1ccc(C[NH2+]Cc2ccc(F)c(F)c2N(C)C)cc1[N+](=O)[O-] ZINC000598965634 506250415 /nfs/dbraw/zinc/25/04/15/506250415.db2.gz XMYPNSNLUFYOCW-UHFFFAOYSA-N 1 1 351.353 3.237 20 5 FGBDMO C[N@@H+](CCCCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC1 ZINC000457175441 501662055 /nfs/dbraw/zinc/66/20/55/501662055.db2.gz XYQOQUHHCRXUNU-UHFFFAOYSA-N 1 1 359.348 3.218 20 5 FGBDMO C[C@H](Cc1cccc(F)c1)[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000459778216 501712694 /nfs/dbraw/zinc/71/26/94/501712694.db2.gz ZJAVXDNZKGEJST-PBHICJAKSA-N 1 1 362.401 3.037 20 5 FGBDMO NC(=O)c1cc(NC[C@@H]2CCC[N@H+]2CC2CCCCC2)ccc1[N+](=O)[O-] ZINC000596122981 506270522 /nfs/dbraw/zinc/27/05/22/506270522.db2.gz WGMUTSYGIJEVGG-INIZCTEOSA-N 1 1 360.458 3.150 20 5 FGBDMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467221087 501742699 /nfs/dbraw/zinc/74/26/99/501742699.db2.gz ZIRZEVFSTVHVTO-SWLSCSKDSA-N 1 1 366.849 3.016 20 5 FGBDMO CCCN(C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](C)C1 ZINC000592833232 506271405 /nfs/dbraw/zinc/27/14/05/506271405.db2.gz XEKHGMHHXAAGOH-ZFWWWQNUSA-N 1 1 351.472 3.018 20 5 FGBDMO CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460291914 501782580 /nfs/dbraw/zinc/78/25/80/501782580.db2.gz VQPNRZCMTKMHHQ-YOEHRIQHSA-N 1 1 372.473 3.040 20 5 FGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000470818050 501815843 /nfs/dbraw/zinc/81/58/43/501815843.db2.gz UYDWSUMCDSSDNC-GJZGRUSLSA-N 1 1 364.446 3.096 20 5 FGBDMO Cc1cc(NC[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)ncc1[N+](=O)[O-] ZINC000470858781 501831021 /nfs/dbraw/zinc/83/10/21/501831021.db2.gz KUCLHJUFZNWPFQ-GOSISDBHSA-N 1 1 354.454 3.215 20 5 FGBDMO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000481843862 501898327 /nfs/dbraw/zinc/89/83/27/501898327.db2.gz FIZIZQRBTQXEIV-UHFFFAOYSA-N 1 1 359.405 3.041 20 5 FGBDMO Cc1c(CN(CC[NH+]2CCOCC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000471173466 501945627 /nfs/dbraw/zinc/94/56/27/501945627.db2.gz RMKMHXKDPKACDC-UHFFFAOYSA-N 1 1 355.438 3.242 20 5 FGBDMO Cc1c(CNc2ncnc3c2cnn3-c2cc[nH+]cc2)cccc1[N+](=O)[O-] ZINC000478434695 501981543 /nfs/dbraw/zinc/98/15/43/501981543.db2.gz YNSZVURLFLOQFM-UHFFFAOYSA-N 1 1 361.365 3.039 20 5 FGBDMO COC(=O)c1c(Cl)c(NC[C@H]2CC[N@@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000596164218 506288162 /nfs/dbraw/zinc/28/81/62/506288162.db2.gz XSESENSPXYEMNS-GFCCVEGCSA-N 1 1 369.849 3.425 20 5 FGBDMO C[N@H+]1C[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H](c2ccccc2)C1 ZINC000592883156 506290533 /nfs/dbraw/zinc/29/05/33/506290533.db2.gz XYZRRPDXMGVJGE-PBHICJAKSA-N 1 1 373.840 3.323 20 5 FGBDMO CCc1ccc(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)cc1[N+](=O)[O-] ZINC000471588838 502077125 /nfs/dbraw/zinc/07/71/25/502077125.db2.gz ZEKSIHOIPODABE-UHFFFAOYSA-N 1 1 367.449 3.424 20 5 FGBDMO CC[N@@H+](CCNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C1CC1 ZINC000475221428 502103341 /nfs/dbraw/zinc/10/33/41/502103341.db2.gz XHVQCKPCPNCKEO-UHFFFAOYSA-N 1 1 360.336 3.219 20 5 FGBDMO CCc1ccc(C(=O)N2CC[NH+](CCc3cccs3)CC2)cc1[N+](=O)[O-] ZINC000471785151 502136960 /nfs/dbraw/zinc/13/69/60/502136960.db2.gz DDWNSWKDTPZHCE-UHFFFAOYSA-N 1 1 373.478 3.219 20 5 FGBDMO CN(C)c1cc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc[nH+]1 ZINC000486419084 502149041 /nfs/dbraw/zinc/14/90/41/502149041.db2.gz OJNYUSQJRYECCE-UHFFFAOYSA-N 1 1 371.216 3.132 20 5 FGBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000479108083 502166194 /nfs/dbraw/zinc/16/61/94/502166194.db2.gz VAZIFXCHMXXTQG-MRXNPFEDSA-N 1 1 369.421 3.249 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](n1cccn1)C(F)(F)F ZINC000599056760 506299294 /nfs/dbraw/zinc/29/92/94/506299294.db2.gz NKIRVTPFSFTRQQ-QMTHXVAHSA-N 1 1 358.320 3.254 20 5 FGBDMO CCC(CC)[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)CC(C)C ZINC000482866256 502202453 /nfs/dbraw/zinc/20/24/53/502202453.db2.gz LHQBOXKRKSZPFR-UHFFFAOYSA-N 1 1 365.430 3.409 20 5 FGBDMO COc1cc(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c([N+](=O)[O-])cc1C ZINC000596189099 506299952 /nfs/dbraw/zinc/29/99/52/506299952.db2.gz FCTSISBFUQKWND-KRWDZBQOSA-N 1 1 371.437 3.091 20 5 FGBDMO CC[N@@H+](CCC1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1)CC(C)C ZINC000596186347 506300208 /nfs/dbraw/zinc/30/02/08/506300208.db2.gz UQNKKKYGHXFTNC-UHFFFAOYSA-N 1 1 350.463 3.280 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+](Cc2ccco2)C(C)C)cc1[N+](=O)[O-] ZINC000475582250 502218588 /nfs/dbraw/zinc/21/85/88/502218588.db2.gz JZWSEBNLVWJKHE-UHFFFAOYSA-N 1 1 362.382 3.150 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+](Cc2ccco2)C(C)C)cc1[N+](=O)[O-] ZINC000475582250 502218593 /nfs/dbraw/zinc/21/85/93/502218593.db2.gz JZWSEBNLVWJKHE-UHFFFAOYSA-N 1 1 362.382 3.150 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000475582926 502219086 /nfs/dbraw/zinc/21/90/86/502219086.db2.gz UWGUPZLSEMYWDE-QGZVFWFLSA-N 1 1 370.405 3.136 20 5 FGBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@]2(CO)Cc2ccccc2)c1 ZINC000475646414 502241875 /nfs/dbraw/zinc/24/18/75/502241875.db2.gz DZNWLKHUBOYFLG-FQEVSTJZSA-N 1 1 356.422 3.043 20 5 FGBDMO O=C(C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000483116443 502278703 /nfs/dbraw/zinc/27/87/03/502278703.db2.gz NVGXKJCUHBORSR-INIZCTEOSA-N 1 1 369.396 3.113 20 5 FGBDMO O=C(C[N@H+]1CC[C@H](c2ccc(F)cc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000483116443 502278707 /nfs/dbraw/zinc/27/87/07/502278707.db2.gz NVGXKJCUHBORSR-INIZCTEOSA-N 1 1 369.396 3.113 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000462193484 502343713 /nfs/dbraw/zinc/34/37/13/502343713.db2.gz QYWVFCNMAYXIER-UGSOOPFHSA-N 1 1 373.840 3.499 20 5 FGBDMO Cc1c(CNC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000479776486 502374854 /nfs/dbraw/zinc/37/48/54/502374854.db2.gz ZXRYCFCHGFSYPV-DOTOQJQBSA-N 1 1 374.485 3.355 20 5 FGBDMO CCn1nc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c2ccccc21 ZINC000473149474 502529854 /nfs/dbraw/zinc/52/98/54/502529854.db2.gz UAPQKQNLBNYKKL-CQSZACIVSA-N 1 1 366.425 3.046 20 5 FGBDMO CCn1nc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c2ccccc21 ZINC000473149474 502529858 /nfs/dbraw/zinc/52/98/58/502529858.db2.gz UAPQKQNLBNYKKL-CQSZACIVSA-N 1 1 366.425 3.046 20 5 FGBDMO C[C@H](Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)C1=CC[N@@H+](C)CC1 ZINC000462701871 502539543 /nfs/dbraw/zinc/53/95/43/502539543.db2.gz HVUVFKVLINFJQV-HNNXBMFYSA-N 1 1 368.437 3.053 20 5 FGBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+](C)C1CC1 ZINC000484155433 502587886 /nfs/dbraw/zinc/58/78/86/502587886.db2.gz GMVQIOUAIILERD-UHFFFAOYSA-N 1 1 351.472 3.167 20 5 FGBDMO Cc1ccc([C@H](C)[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000484160446 502589091 /nfs/dbraw/zinc/58/90/91/502589091.db2.gz HUQKOSQFYGWILI-LAUBAEHRSA-N 1 1 369.465 3.191 20 5 FGBDMO COCC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCC[C@@H]1C ZINC000488005272 502597863 /nfs/dbraw/zinc/59/78/63/502597863.db2.gz CLUCUJXFBOPVDZ-XJKSGUPXSA-N 1 1 360.414 3.282 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCC(F)(F)[C@@H](CO)C3)o2)c1 ZINC000462880256 502612271 /nfs/dbraw/zinc/61/22/71/502612271.db2.gz WLEZBVHDWXHSOV-CYBMUJFWSA-N 1 1 352.337 3.304 20 5 FGBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000488073967 502619499 /nfs/dbraw/zinc/61/94/99/502619499.db2.gz MQPARTKIHCEQRO-HUUCEWRRSA-N 1 1 362.474 3.250 20 5 FGBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](C)C[NH+]1CCCCCC1 ZINC000480672742 502638221 /nfs/dbraw/zinc/63/82/21/502638221.db2.gz ZXLXVDBQBUIOCI-HZPDHXFCSA-N 1 1 362.474 3.166 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000462990403 502651396 /nfs/dbraw/zinc/65/13/96/502651396.db2.gz RVSAPRVHTYVXJN-SZVBFZGTSA-N 1 1 361.486 3.495 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000470144188 502677279 /nfs/dbraw/zinc/67/72/79/502677279.db2.gz YMSWKWLGZIZFRO-ZDUSSCGKSA-N 1 1 352.410 3.223 20 5 FGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000602851597 506327957 /nfs/dbraw/zinc/32/79/57/506327957.db2.gz AQCVDNPGFJTXKK-GOEBONIOSA-N 1 1 354.410 3.196 20 5 FGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000602851597 506327961 /nfs/dbraw/zinc/32/79/61/506327961.db2.gz AQCVDNPGFJTXKK-GOEBONIOSA-N 1 1 354.410 3.196 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2C[C@@H](C)[C@H](CO)C2)cc1OC ZINC000484716186 502718525 /nfs/dbraw/zinc/71/85/25/502718525.db2.gz PHCNABBYIVHOAZ-LZWOXQAQSA-N 1 1 366.458 3.089 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](O)C2(C)C)cc1OC ZINC000463219335 502725128 /nfs/dbraw/zinc/72/51/28/502725128.db2.gz OZCJXGXMOLBXEM-SCLBCKFNSA-N 1 1 366.458 3.374 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](O)C2(C)C)cc1OC ZINC000463219335 502725131 /nfs/dbraw/zinc/72/51/31/502725131.db2.gz OZCJXGXMOLBXEM-SCLBCKFNSA-N 1 1 366.458 3.374 20 5 FGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000602867328 506331059 /nfs/dbraw/zinc/33/10/59/506331059.db2.gz FLJDMTKPZXANPA-BZSNNMDCSA-N 1 1 356.426 3.094 20 5 FGBDMO COCC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CC[C@@H](C)C1 ZINC000484897006 502767679 /nfs/dbraw/zinc/76/76/79/502767679.db2.gz ZVCOJDMPETUMCQ-CZUORRHYSA-N 1 1 360.414 3.282 20 5 FGBDMO C[C@@H]1[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000588771326 506333119 /nfs/dbraw/zinc/33/31/19/506333119.db2.gz WLARBGDKLXVRGX-FZKQIMNGSA-N 1 1 357.385 3.127 20 5 FGBDMO Cc1cc(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000467047572 502770066 /nfs/dbraw/zinc/77/00/66/502770066.db2.gz RTWHHNKFJKNVBP-MAUKXSAKSA-N 1 1 353.422 3.296 20 5 FGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000602888257 506338048 /nfs/dbraw/zinc/33/80/48/506338048.db2.gz MJRJPTPDAJWHOX-ZDUSSCGKSA-N 1 1 373.240 3.072 20 5 FGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000602888257 506338055 /nfs/dbraw/zinc/33/80/55/506338055.db2.gz MJRJPTPDAJWHOX-ZDUSSCGKSA-N 1 1 373.240 3.072 20 5 FGBDMO CC[C@@H](CO)[N@H+](Cc1ccccc1)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593022778 506342668 /nfs/dbraw/zinc/34/26/68/506342668.db2.gz KLTNQUAYRHYZRM-SFHVURJKSA-N 1 1 372.421 3.155 20 5 FGBDMO CC[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593022778 506342675 /nfs/dbraw/zinc/34/26/75/506342675.db2.gz KLTNQUAYRHYZRM-SFHVURJKSA-N 1 1 372.421 3.155 20 5 FGBDMO C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501128996 502945953 /nfs/dbraw/zinc/94/59/53/502945953.db2.gz TYFRUSABOWPZCV-HNAYVOBHSA-N 1 1 369.421 3.385 20 5 FGBDMO C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501128996 502945954 /nfs/dbraw/zinc/94/59/54/502945954.db2.gz TYFRUSABOWPZCV-HNAYVOBHSA-N 1 1 369.421 3.385 20 5 FGBDMO C[C@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[N@H+]1CCCC[C@H]1C ZINC000513716106 503007569 /nfs/dbraw/zinc/00/75/69/503007569.db2.gz XIJKDEOUAJKDFZ-VXGBXAGGSA-N 1 1 371.384 3.189 20 5 FGBDMO C[C@@]1(c2ccccc2)CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000510079206 503044294 /nfs/dbraw/zinc/04/42/94/503044294.db2.gz OUEJACGEOJDSTO-HXUWFJFHSA-N 1 1 355.438 3.200 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000490008706 503088564 /nfs/dbraw/zinc/08/85/64/503088564.db2.gz QKKQDAFPSWXCCR-CRAIPNDOSA-N 1 1 368.437 3.498 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000490008706 503088569 /nfs/dbraw/zinc/08/85/69/503088569.db2.gz QKKQDAFPSWXCCR-CRAIPNDOSA-N 1 1 368.437 3.498 20 5 FGBDMO CCOCC[NH+]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000506444023 503115716 /nfs/dbraw/zinc/11/57/16/503115716.db2.gz OGJSDBSAYQBSIM-UHFFFAOYSA-N 1 1 359.426 3.009 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000506635719 503146613 /nfs/dbraw/zinc/14/66/13/503146613.db2.gz MCQZVTRMDRZFHE-CHWSQXEVSA-N 1 1 351.472 3.309 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000602925337 506355368 /nfs/dbraw/zinc/35/53/68/506355368.db2.gz MLAMRPKZUCAXKU-OAHLLOKOSA-N 1 1 370.327 3.445 20 5 FGBDMO COc1c(O)cccc1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000490572305 503197614 /nfs/dbraw/zinc/19/76/14/503197614.db2.gz VECPDFANVKVTET-UHFFFAOYSA-N 1 1 358.394 3.352 20 5 FGBDMO C[C@H](C(=O)N1CCCc2ccccc21)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511059278 503243647 /nfs/dbraw/zinc/24/36/47/503243647.db2.gz LBYKLDSJDXCQLD-MRXNPFEDSA-N 1 1 367.449 3.437 20 5 FGBDMO C[C@H](C(=O)N1CCCc2ccccc21)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511059278 503243649 /nfs/dbraw/zinc/24/36/49/503243649.db2.gz LBYKLDSJDXCQLD-MRXNPFEDSA-N 1 1 367.449 3.437 20 5 FGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cncc(Br)c1 ZINC000511059301 503243764 /nfs/dbraw/zinc/24/37/64/503243764.db2.gz LLEQYOZYIWDUNO-UHFFFAOYSA-N 1 1 350.216 3.427 20 5 FGBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000511075074 503248062 /nfs/dbraw/zinc/24/80/62/503248062.db2.gz XGWLBWMCXHXNHA-UHFFFAOYSA-N 1 1 371.481 3.154 20 5 FGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000511075074 503248064 /nfs/dbraw/zinc/24/80/64/503248064.db2.gz XGWLBWMCXHXNHA-UHFFFAOYSA-N 1 1 371.481 3.154 20 5 FGBDMO Cc1ccccc1CCNC(=O)[C@@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511097208 503253662 /nfs/dbraw/zinc/25/36/62/503253662.db2.gz URPOSFWGWRPXRG-QGZVFWFLSA-N 1 1 369.465 3.125 20 5 FGBDMO Cc1ccccc1CCNC(=O)[C@@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511097208 503253666 /nfs/dbraw/zinc/25/36/66/503253666.db2.gz URPOSFWGWRPXRG-QGZVFWFLSA-N 1 1 369.465 3.125 20 5 FGBDMO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511111535 503258072 /nfs/dbraw/zinc/25/80/72/503258072.db2.gz VGIRBRYKHYCNPJ-GFCCVEGCSA-N 1 1 362.817 3.145 20 5 FGBDMO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511111535 503258075 /nfs/dbraw/zinc/25/80/75/503258075.db2.gz VGIRBRYKHYCNPJ-GFCCVEGCSA-N 1 1 362.817 3.145 20 5 FGBDMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000502965417 503315390 /nfs/dbraw/zinc/31/53/90/503315390.db2.gz OMRMOKYXUPUUIR-HNNXBMFYSA-N 1 1 364.405 3.080 20 5 FGBDMO CC[N@@H+](CCNc1cc(OC)c(F)cc1[N+](=O)[O-])CCC(F)(F)F ZINC000491572796 503319732 /nfs/dbraw/zinc/31/97/32/503319732.db2.gz OXYZPDSMZXVXCP-UHFFFAOYSA-N 1 1 353.316 3.429 20 5 FGBDMO Cc1cc(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000507597776 503329163 /nfs/dbraw/zinc/32/91/63/503329163.db2.gz SWFABZWCXNJHTN-CRAIPNDOSA-N 1 1 353.422 3.469 20 5 FGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3nnc4ccccn43)CC2)c(F)c1 ZINC000491937129 503338657 /nfs/dbraw/zinc/33/86/57/503338657.db2.gz GGQYIBUJXYGLDJ-UHFFFAOYSA-N 1 1 355.373 3.156 20 5 FGBDMO Cn1cc(C[N@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000499213608 503356359 /nfs/dbraw/zinc/35/63/59/503356359.db2.gz NYEDOAPBVYNFRL-ROUUACIJSA-N 1 1 372.469 3.224 20 5 FGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000511633082 503359256 /nfs/dbraw/zinc/35/92/56/503359256.db2.gz ZJMXKKZEBOHCKO-QYZOEREBSA-N 1 1 368.433 3.478 20 5 FGBDMO C[N@@H+](CCc1ccc(Cl)cc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000492396924 503366969 /nfs/dbraw/zinc/36/69/69/503366969.db2.gz DNTSNFJDNAXUEP-KRWDZBQOSA-N 1 1 364.829 3.162 20 5 FGBDMO CCOc1cc(C[NH+]2CCN(c3ccc(O)cc3)CC2)ccc1[N+](=O)[O-] ZINC000492464014 503371355 /nfs/dbraw/zinc/37/13/55/503371355.db2.gz RVIVLVBMOVSJCJ-UHFFFAOYSA-N 1 1 357.410 3.021 20 5 FGBDMO C[N@H+](CCc1ccc(Cl)cc1)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000492492819 503372009 /nfs/dbraw/zinc/37/20/09/503372009.db2.gz XGBQYIJBRYVBJW-UHFFFAOYSA-N 1 1 373.840 3.312 20 5 FGBDMO C[N@@H+](CCc1ccc(Cl)cc1)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000492492819 503372013 /nfs/dbraw/zinc/37/20/13/503372013.db2.gz XGBQYIJBRYVBJW-UHFFFAOYSA-N 1 1 373.840 3.312 20 5 FGBDMO Cc1nc(CC[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)n[nH]1 ZINC000503577881 503440933 /nfs/dbraw/zinc/44/09/33/503440933.db2.gz ZXYGHXMFHLMPGX-UHFFFAOYSA-N 1 1 371.372 3.285 20 5 FGBDMO Cc1nnc(CC[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)[nH]1 ZINC000503577881 503440936 /nfs/dbraw/zinc/44/09/36/503440936.db2.gz ZXYGHXMFHLMPGX-UHFFFAOYSA-N 1 1 371.372 3.285 20 5 FGBDMO O=[N+]([O-])c1cccc(C[N@H+](CCO)Cc2cc(Br)cs2)c1 ZINC000494254297 503512696 /nfs/dbraw/zinc/51/26/96/503512696.db2.gz PQHAYIBMXQIVFF-UHFFFAOYSA-N 1 1 371.256 3.413 20 5 FGBDMO O=[N+]([O-])c1cccc(C[N@@H+](CCO)Cc2cc(Br)cs2)c1 ZINC000494254297 503512699 /nfs/dbraw/zinc/51/26/99/503512699.db2.gz PQHAYIBMXQIVFF-UHFFFAOYSA-N 1 1 371.256 3.413 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000504089094 503520888 /nfs/dbraw/zinc/52/08/88/503520888.db2.gz FKFXNHHADLRAIN-JKSUJKDBSA-N 1 1 363.483 3.454 20 5 FGBDMO COc1ccc([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000504539255 503585564 /nfs/dbraw/zinc/58/55/64/503585564.db2.gz PUPVKGCFXKMNBH-HOCLYGCPSA-N 1 1 369.421 3.420 20 5 FGBDMO COc1ccc([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000504539255 503585567 /nfs/dbraw/zinc/58/55/67/503585567.db2.gz PUPVKGCFXKMNBH-HOCLYGCPSA-N 1 1 369.421 3.420 20 5 FGBDMO CC[C@H]1CCCC[N@H+]1CCNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000500412060 503618277 /nfs/dbraw/zinc/61/82/77/503618277.db2.gz BPMSXAHRHHSOEA-INIZCTEOSA-N 1 1 360.458 3.163 20 5 FGBDMO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000500439051 503625218 /nfs/dbraw/zinc/62/52/18/503625218.db2.gz HRPVFENRFXWAFF-HOTGVXAUSA-N 1 1 353.422 3.330 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000500439051 503625221 /nfs/dbraw/zinc/62/52/21/503625221.db2.gz HRPVFENRFXWAFF-HOTGVXAUSA-N 1 1 353.422 3.330 20 5 FGBDMO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000500441594 503626491 /nfs/dbraw/zinc/62/64/91/503626491.db2.gz OKMXPVZHCZXJAJ-HOTGVXAUSA-N 1 1 353.422 3.330 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000500441594 503626494 /nfs/dbraw/zinc/62/64/94/503626494.db2.gz OKMXPVZHCZXJAJ-HOTGVXAUSA-N 1 1 353.422 3.330 20 5 FGBDMO O=C1C[C@]2(CN1)CCC[N@H+](Cc1ccc(-c3ccccc3[N+](=O)[O-])s1)C2 ZINC000536661431 503666784 /nfs/dbraw/zinc/66/67/84/503666784.db2.gz PKAHUBOZOVLUDS-IBGZPJMESA-N 1 1 371.462 3.425 20 5 FGBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](c3ccc(C)cc3)C2)c([N+](=O)[O-])c1 ZINC000543245435 503695997 /nfs/dbraw/zinc/69/59/97/503695997.db2.gz PMAOYVBJBAQQLL-MRXNPFEDSA-N 1 1 369.421 3.340 20 5 FGBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](c3ccc(C)cc3)C2)c([N+](=O)[O-])c1 ZINC000543245435 503696000 /nfs/dbraw/zinc/69/60/00/503696000.db2.gz PMAOYVBJBAQQLL-MRXNPFEDSA-N 1 1 369.421 3.340 20 5 FGBDMO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000533064101 503719107 /nfs/dbraw/zinc/71/91/07/503719107.db2.gz WSKSXVZAFZBVDI-CQSZACIVSA-N 1 1 369.849 3.468 20 5 FGBDMO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000533064101 503719112 /nfs/dbraw/zinc/71/91/12/503719112.db2.gz WSKSXVZAFZBVDI-CQSZACIVSA-N 1 1 369.849 3.468 20 5 FGBDMO Cc1c(Br)c(N2CC[C@@H]([NH+]3CCCCC3)C2)ncc1[N+](=O)[O-] ZINC000543436747 503769940 /nfs/dbraw/zinc/76/99/40/503769940.db2.gz RBCTXSXKCHYXQA-GFCCVEGCSA-N 1 1 369.263 3.125 20 5 FGBDMO CC(C)[N@@H+](C)CC1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000536995511 503773835 /nfs/dbraw/zinc/77/38/35/503773835.db2.gz PJISBWPTBDIXIH-UHFFFAOYSA-N 1 1 371.279 3.309 20 5 FGBDMO C[C@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C)C1 ZINC000517599979 503781469 /nfs/dbraw/zinc/78/14/69/503781469.db2.gz SRQFAWHZDADJMA-MDZRGWNJSA-N 1 1 371.485 3.128 20 5 FGBDMO CCOc1cccc(N2CC[NH+](Cc3ccccc3OC)CC2)c1[N+](=O)[O-] ZINC000546573663 503793866 /nfs/dbraw/zinc/79/38/66/503793866.db2.gz QKUGTSPTVRBING-UHFFFAOYSA-N 1 1 371.437 3.324 20 5 FGBDMO CC(C)n1cc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000543503067 503795403 /nfs/dbraw/zinc/79/54/03/503795403.db2.gz LRRAOPFLLHRJHH-NSHDSACASA-N 1 1 365.821 3.315 20 5 FGBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000540511457 503800364 /nfs/dbraw/zinc/80/03/64/503800364.db2.gz FNNBRTAQHAAECD-AWEZNQCLSA-N 1 1 363.458 3.234 20 5 FGBDMO C[NH+](C)C1(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])CCCCCC1 ZINC000517711075 503814316 /nfs/dbraw/zinc/81/43/16/503814316.db2.gz GFDUJGSXNSVCSD-UHFFFAOYSA-N 1 1 362.474 3.168 20 5 FGBDMO O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000543639028 503837729 /nfs/dbraw/zinc/83/77/29/503837729.db2.gz YHUWOOOYKBSYHL-AWEZNQCLSA-N 1 1 358.373 3.130 20 5 FGBDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000533435867 503844373 /nfs/dbraw/zinc/84/43/73/503844373.db2.gz LUCLRQAOYCPGBL-QAPCUYQASA-N 1 1 365.433 3.362 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](Nc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000533500923 503866658 /nfs/dbraw/zinc/86/66/58/503866658.db2.gz MBYFKDPOVSXSTD-WBVHZDCISA-N 1 1 368.437 3.417 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@H](Nc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000533500923 503866662 /nfs/dbraw/zinc/86/66/62/503866662.db2.gz MBYFKDPOVSXSTD-WBVHZDCISA-N 1 1 368.437 3.417 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000543806805 503899451 /nfs/dbraw/zinc/89/94/51/503899451.db2.gz BWNXOQKQYZXQFV-TYILLQQXSA-N 1 1 361.442 3.443 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000543806803 503899824 /nfs/dbraw/zinc/89/98/24/503899824.db2.gz BWNXOQKQYZXQFV-CKFHNAJUSA-N 1 1 361.442 3.443 20 5 FGBDMO COc1ccc(NC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000543891460 503930605 /nfs/dbraw/zinc/93/06/05/503930605.db2.gz DAAQVQSCDZUZEC-UHFFFAOYSA-N 1 1 364.446 3.188 20 5 FGBDMO COc1cc(CO[C@H](C)Cc2[nH]cc[nH+]2)c([N+](=O)[O-])cc1OC(F)F ZINC000543958736 503951357 /nfs/dbraw/zinc/95/13/57/503951357.db2.gz AGOVQBSTYRAZIU-SECBINFHSA-N 1 1 357.313 3.076 20 5 FGBDMO C[N@H+](Cc1ccc(Cl)s1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000544069982 503995926 /nfs/dbraw/zinc/99/59/26/503995926.db2.gz YKADZHRUEVBWOK-NSHDSACASA-N 1 1 356.831 3.181 20 5 FGBDMO COc1ccc(NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000541107624 504009900 /nfs/dbraw/zinc/00/99/00/504009900.db2.gz ZZJTZMCLFXZCTH-AWEZNQCLSA-N 1 1 364.446 3.380 20 5 FGBDMO Cc1ccc(C[C@@H]2CCC[N@H+]2C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000544143754 504025271 /nfs/dbraw/zinc/02/52/71/504025271.db2.gz JEDNRYMZMHRIDH-RBUKOAKNSA-N 1 1 370.449 3.350 20 5 FGBDMO C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCC(C)(C)CC1 ZINC000544147350 504027708 /nfs/dbraw/zinc/02/77/08/504027708.db2.gz IOBVUYYBIBXIPB-UHFFFAOYSA-N 1 1 354.472 3.269 20 5 FGBDMO C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCC(C)(C)CC1 ZINC000544147350 504027712 /nfs/dbraw/zinc/02/77/12/504027712.db2.gz IOBVUYYBIBXIPB-UHFFFAOYSA-N 1 1 354.472 3.269 20 5 FGBDMO Cc1cc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000537833281 504057811 /nfs/dbraw/zinc/05/78/11/504057811.db2.gz JVYLFPNXAZOISX-IEBWSBKVSA-N 1 1 355.438 3.198 20 5 FGBDMO CN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CC2)C1 ZINC000541284254 504074442 /nfs/dbraw/zinc/07/44/42/504074442.db2.gz XVDFHEMKYAVPPS-ZDUSSCGKSA-N 1 1 369.874 3.035 20 5 FGBDMO O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000547767399 504217445 /nfs/dbraw/zinc/21/74/45/504217445.db2.gz AQPZEBIKEFAFQY-HXUWFJFHSA-N 1 1 367.449 3.308 20 5 FGBDMO O=C1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CN1c1ccccc1Cl ZINC000538400294 504235599 /nfs/dbraw/zinc/23/55/99/504235599.db2.gz NFQYJUJIJBFNLI-LLVKDONJSA-N 1 1 351.815 3.205 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000541733264 504237146 /nfs/dbraw/zinc/23/71/46/504237146.db2.gz HERUDRKMWYHDHM-IHRRRGAJSA-N 1 1 351.422 3.169 20 5 FGBDMO CC(C)[C@@H](CO)[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000531405781 504296059 /nfs/dbraw/zinc/29/60/59/504296059.db2.gz ZYDCAGFUPIPLRT-LJQANCHMSA-N 1 1 358.438 3.493 20 5 FGBDMO O=C(NCC[N@@H+]1CC=CCC1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000538825388 504383152 /nfs/dbraw/zinc/38/31/52/504383152.db2.gz KJFGRKQOTHWTAE-UHFFFAOYSA-N 1 1 366.421 3.330 20 5 FGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000535276310 504390684 /nfs/dbraw/zinc/39/06/84/504390684.db2.gz KPDFIRVDDCTAOD-ACJLOTCBSA-N 1 1 371.462 3.378 20 5 FGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000535276310 504390690 /nfs/dbraw/zinc/39/06/90/504390690.db2.gz KPDFIRVDDCTAOD-ACJLOTCBSA-N 1 1 371.462 3.378 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000542277125 504434997 /nfs/dbraw/zinc/43/49/97/504434997.db2.gz KCWYFYHLDWTCCC-MOPGFXCFSA-N 1 1 370.449 3.432 20 5 FGBDMO CC(C)[C@H]1CCC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000542281046 504437304 /nfs/dbraw/zinc/43/73/04/504437304.db2.gz UAVCZWFFGVHTEE-HNNXBMFYSA-N 1 1 354.472 3.127 20 5 FGBDMO CC(C)[C@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000542281046 504437306 /nfs/dbraw/zinc/43/73/06/504437306.db2.gz UAVCZWFFGVHTEE-HNNXBMFYSA-N 1 1 354.472 3.127 20 5 FGBDMO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000531878464 504456820 /nfs/dbraw/zinc/45/68/20/504456820.db2.gz QQBXYXVGMYPCCG-KRWDZBQOSA-N 1 1 374.828 3.210 20 5 FGBDMO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000542362605 504462368 /nfs/dbraw/zinc/46/23/68/504462368.db2.gz VIBPDKVSEFKXMR-AWEZNQCLSA-N 1 1 371.890 3.139 20 5 FGBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000542362605 504462373 /nfs/dbraw/zinc/46/23/73/504462373.db2.gz 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3.436 20 5 FGBDMO COc1ccc(-c2ccc(CN[C@@H]3C[N@H+](C4CC4)C[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000532321895 504610177 /nfs/dbraw/zinc/61/01/77/504610177.db2.gz VARRLEXYQOWKDY-SCLBCKFNSA-N 1 1 371.437 3.436 20 5 FGBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000548922869 504621671 /nfs/dbraw/zinc/62/16/71/504621671.db2.gz SDHLDLAKDHWBKB-KRWDZBQOSA-N 1 1 359.470 3.250 20 5 FGBDMO C[N@@H+](CCCOc1ccc2c(c1)OCO2)CCc1cccc([N+](=O)[O-])c1 ZINC000548936221 504627574 /nfs/dbraw/zinc/62/75/74/504627574.db2.gz OCEOWJHRLFPJPK-UHFFFAOYSA-N 1 1 358.394 3.267 20 5 FGBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000532408045 504639743 /nfs/dbraw/zinc/63/97/43/504639743.db2.gz YMXMBCNXPZWGGP-HNNXBMFYSA-N 1 1 368.437 3.294 20 5 FGBDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000545935317 504645925 /nfs/dbraw/zinc/64/59/25/504645925.db2.gz RKPKUWPQDGQEBL-QGZVFWFLSA-N 1 1 374.828 3.234 20 5 FGBDMO 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COC(=O)[C@@H]1CC12CC[NH+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)CC2 ZINC000549446156 504824183 /nfs/dbraw/zinc/82/41/83/504824183.db2.gz MFWHVULRNHKCBG-AWEZNQCLSA-N 1 1 372.343 3.389 20 5 FGBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000562547410 504854469 /nfs/dbraw/zinc/85/44/69/504854469.db2.gz IVCOQHJIJSVSIT-OAHLLOKOSA-N 1 1 363.461 3.286 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC=C(c2ccccc2)C1 ZINC000556507335 504891942 /nfs/dbraw/zinc/89/19/42/504891942.db2.gz APJWSAKUGNHMHE-SFHVURJKSA-N 1 1 354.406 3.124 20 5 FGBDMO C[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@@H]1Cc1ccccc1 ZINC000559963899 504958922 /nfs/dbraw/zinc/95/89/22/504958922.db2.gz WSZHWRTZKJLUFL-INIZCTEOSA-N 1 1 372.400 3.125 20 5 FGBDMO C[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@@H]1Cc1ccccc1 ZINC000559963899 504958929 /nfs/dbraw/zinc/95/89/29/504958929.db2.gz WSZHWRTZKJLUFL-INIZCTEOSA-N 1 1 372.400 3.125 20 5 FGBDMO CCc1cc(NCC[N@H+](C)[C@@H](C)CC)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000550083979 504963891 /nfs/dbraw/zinc/96/38/91/504963891.db2.gz ZGRYHDSUHGULLC-AWEZNQCLSA-N 1 1 357.458 3.178 20 5 FGBDMO Cc1ccc(C)c(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000550111816 504968798 /nfs/dbraw/zinc/96/87/98/504968798.db2.gz DIQZOKWVEKVOND-UHFFFAOYSA-N 1 1 353.422 3.170 20 5 FGBDMO CCc1ccc(CC[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000550472236 505051303 /nfs/dbraw/zinc/05/13/03/505051303.db2.gz MYMLVEUGPJCBQP-UHFFFAOYSA-N 1 1 367.449 3.158 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]C1CC(C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000554117470 505094917 /nfs/dbraw/zinc/09/49/17/505094917.db2.gz GIQRKMDAQJDAJI-ORHYLEIMSA-N 1 1 354.332 3.348 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CC(C)(C)[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000560556170 505125277 /nfs/dbraw/zinc/12/52/77/505125277.db2.gz JIMOKJPXBVXYHT-QGZVFWFLSA-N 1 1 350.415 3.013 20 5 FGBDMO C[C@@H](C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H](C)CO)c1ccccc1 ZINC000554279478 505132658 /nfs/dbraw/zinc/13/26/58/505132658.db2.gz MLJAINLJQDGRJZ-IRXDYDNUSA-N 1 1 358.438 3.460 20 5 FGBDMO Cc1cnc(N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c([N+](=O)[O-])c1 ZINC000557734962 505216525 /nfs/dbraw/zinc/21/65/25/505216525.db2.gz HPNSNWHATMVLAP-FQEVSTJZSA-N 1 1 352.438 3.401 20 5 FGBDMO Cc1cnc(N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c([N+](=O)[O-])c1 ZINC000557734964 505216776 /nfs/dbraw/zinc/21/67/76/505216776.db2.gz HPNSNWHATMVLAP-HXUWFJFHSA-N 1 1 352.438 3.401 20 5 FGBDMO C[C@H](NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000561157769 505267353 /nfs/dbraw/zinc/26/73/53/505267353.db2.gz ZKXHJLYUHGOJER-MAUKXSAKSA-N 1 1 353.422 3.294 20 5 FGBDMO CCO[C@H](CC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000563984738 505295117 /nfs/dbraw/zinc/29/51/17/505295117.db2.gz VZGCPFUCDJDQEI-MSOLQXFVSA-N 1 1 360.458 3.459 20 5 FGBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000558174784 505327008 /nfs/dbraw/zinc/32/70/08/505327008.db2.gz KYKFFPZWHDROSO-FQEVSTJZSA-N 1 1 374.412 3.040 20 5 FGBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000561746753 505424525 /nfs/dbraw/zinc/42/45/25/505424525.db2.gz NCQVRVSAQNBRAK-HDMKZQKVSA-N 1 1 359.470 3.061 20 5 FGBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)C1 ZINC000561763285 505430766 /nfs/dbraw/zinc/43/07/66/505430766.db2.gz ZAGDLWWFPSQUQK-HWWQOWPSSA-N 1 1 351.834 3.051 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H](c2ccco2)c2ccccc2)c1 ZINC000561839085 505447233 /nfs/dbraw/zinc/44/72/33/505447233.db2.gz KWAGLEAGULVCGO-PXNSSMCTSA-N 1 1 368.389 3.307 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]CCC[C@H]1CCCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000552276311 505448313 /nfs/dbraw/zinc/44/83/13/505448313.db2.gz SIAHVEZEANEWDJ-AYOQOUSVSA-N 1 1 372.469 3.339 20 5 FGBDMO CCC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000564598164 505465727 /nfs/dbraw/zinc/46/57/27/505465727.db2.gz RHZLQQWDCYWVSJ-INIZCTEOSA-N 1 1 356.426 3.050 20 5 FGBDMO CC[C@@H](c1ccccc1OC)[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000561955910 505477361 /nfs/dbraw/zinc/47/73/61/505477361.db2.gz AHMWWGNJEUDASF-LPHOPBHVSA-N 1 1 374.437 3.426 20 5 FGBDMO CC(=O)c1cc(N2CC[NH+](CCc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000555900810 505536269 /nfs/dbraw/zinc/53/62/69/505536269.db2.gz NUKUURHKBKNPSE-UHFFFAOYSA-N 1 1 353.422 3.162 20 5 FGBDMO COc1ccc(C[N@H+]2CCCN(c3c(OC)cccc3[N+](=O)[O-])CC2)cc1 ZINC000589104558 506442489 /nfs/dbraw/zinc/44/24/89/506442489.db2.gz RBNNHZNRGXNJTB-UHFFFAOYSA-N 1 1 371.437 3.324 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CCC=C(c3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000589163280 506463878 /nfs/dbraw/zinc/46/38/78/506463878.db2.gz JPPMWEOOGTVTMH-UHFFFAOYSA-N 1 1 366.421 3.416 20 5 FGBDMO O=C1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCN1C1CCCCC1 ZINC000612189536 506477396 /nfs/dbraw/zinc/47/73/96/506477396.db2.gz DNFMGUMRTVUADY-MRXNPFEDSA-N 1 1 351.834 3.271 20 5 FGBDMO C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000593225433 506478896 /nfs/dbraw/zinc/47/88/96/506478896.db2.gz CQGGDBFCHYZFCG-HRCADAONSA-N 1 1 370.453 3.057 20 5 FGBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC000593227512 506481089 /nfs/dbraw/zinc/48/10/89/506481089.db2.gz UQPBXGJGDDMAED-RBSFLKMASA-N 1 1 357.410 3.311 20 5 FGBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000593227512 506481096 /nfs/dbraw/zinc/48/10/96/506481096.db2.gz UQPBXGJGDDMAED-RBSFLKMASA-N 1 1 357.410 3.311 20 5 FGBDMO COC(=O)c1cnc(C2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000599554997 506499262 /nfs/dbraw/zinc/49/92/62/506499262.db2.gz XTXXNCDPJGHLBC-UHFFFAOYSA-N 1 1 361.423 3.218 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)CCOc2cccc(C)c2)c1 ZINC000589494585 506567867 /nfs/dbraw/zinc/56/78/67/506567867.db2.gz HGMKEZVHFXJPHQ-UHFFFAOYSA-N 1 1 358.394 3.201 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)CCOc2cccc(C)c2)c1 ZINC000589494585 506567875 /nfs/dbraw/zinc/56/78/75/506567875.db2.gz HGMKEZVHFXJPHQ-UHFFFAOYSA-N 1 1 358.394 3.201 20 5 FGBDMO CCc1ccc([C@H]([NH2+]CCOC[C@@H]2CCOC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000612409652 506568335 /nfs/dbraw/zinc/56/83/35/506568335.db2.gz LTMCBDZKAXKGEI-FOIQADDNSA-N 1 1 374.437 3.482 20 5 FGBDMO Cc1cccc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000603601992 506572205 /nfs/dbraw/zinc/57/22/05/506572205.db2.gz RXAUTLGJMJPRRY-KRWDZBQOSA-N 1 1 353.422 3.298 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)c1 ZINC000589502904 506572326 /nfs/dbraw/zinc/57/23/26/506572326.db2.gz GQFTWWHUOSUVIB-KRWDZBQOSA-N 1 1 362.426 3.305 20 5 FGBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cc(O)cc(C(F)(F)F)c3)CC2)n1 ZINC000589512899 506574697 /nfs/dbraw/zinc/57/46/97/506574697.db2.gz HFLLAJGTDFWZDB-UHFFFAOYSA-N 1 1 370.331 3.353 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)NCCC[N@H+](C)CC(C)C)cc1[N+](=O)[O-] ZINC000593372996 506581549 /nfs/dbraw/zinc/58/15/49/506581549.db2.gz NZFRLLKZEVBQBD-HNNXBMFYSA-N 1 1 350.463 3.241 20 5 FGBDMO CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@H]1COc2ccccc2O1 ZINC000603661724 506589016 /nfs/dbraw/zinc/58/90/16/506589016.db2.gz UEBOIXOZAPMCCM-KRWDZBQOSA-N 1 1 358.394 3.136 20 5 FGBDMO CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000603838824 506630481 /nfs/dbraw/zinc/63/04/81/506630481.db2.gz MRNHJLGFHXTGDR-HNNXBMFYSA-N 1 1 358.394 3.136 20 5 FGBDMO COc1c(C)c[nH+]c(CN(C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1C ZINC000612584450 506639189 /nfs/dbraw/zinc/63/91/89/506639189.db2.gz JBPQJIUNCMLJGR-UHFFFAOYSA-N 1 1 373.409 3.018 20 5 FGBDMO CC(C)C[N@@H+](C)CCCNc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000593480247 506644084 /nfs/dbraw/zinc/64/40/84/506644084.db2.gz PQJOARGXPOVMSL-UHFFFAOYSA-N 1 1 350.463 3.123 20 5 FGBDMO Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCC[C@H](c3ccc([N+](=O)[O-])cc3)C1)CC2 ZINC000583505776 506817566 /nfs/dbraw/zinc/81/75/66/506817566.db2.gz UXXVWHUIBSWIRD-IRXDYDNUSA-N 1 1 368.437 3.068 20 5 FGBDMO C[N@H+]1CCN(CCCNc2ccsc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000604432657 506830669 /nfs/dbraw/zinc/83/06/69/506830669.db2.gz KNNZAPCFLNFJQE-KRWDZBQOSA-N 1 1 360.483 3.447 20 5 FGBDMO CN1CC[N@H+](CCCNc2ccsc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000604432657 506830676 /nfs/dbraw/zinc/83/06/76/506830676.db2.gz KNNZAPCFLNFJQE-KRWDZBQOSA-N 1 1 360.483 3.447 20 5 FGBDMO CN1CC[N@@H+](CCCNc2ccsc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000604432657 506830683 /nfs/dbraw/zinc/83/06/83/506830683.db2.gz KNNZAPCFLNFJQE-KRWDZBQOSA-N 1 1 360.483 3.447 20 5 FGBDMO CCOc1cccc(N2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000609314434 506847785 /nfs/dbraw/zinc/84/77/85/506847785.db2.gz IEVCJXHVKZPJSY-OAHLLOKOSA-N 1 1 356.426 3.272 20 5 FGBDMO COc1cc(C[N@@H+](CCO)CC(C)(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000609317103 506848990 /nfs/dbraw/zinc/84/89/90/506848990.db2.gz KUUFJSOJVJCVBE-UHFFFAOYSA-N 1 1 362.373 3.045 20 5 FGBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000590539194 506854053 /nfs/dbraw/zinc/85/40/53/506854053.db2.gz WAQBHGMKYVPAIJ-CQSZACIVSA-N 1 1 374.466 3.275 20 5 FGBDMO C[C@H]([NH2+]Cc1ccc(OCC(F)(F)F)nn1)c1cccc([N+](=O)[O-])c1 ZINC000593972074 506858677 /nfs/dbraw/zinc/85/86/77/506858677.db2.gz NFSYRNWEYAJNAV-JTQLQIEISA-N 1 1 356.304 3.177 20 5 FGBDMO O=C(CC[N@H+]1CCC[C@H](c2ccccn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000590602739 506876206 /nfs/dbraw/zinc/87/62/06/506876206.db2.gz WIVKFHIDKMMGIV-HNNXBMFYSA-N 1 1 354.410 3.198 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000609464241 506890598 /nfs/dbraw/zinc/89/05/98/506890598.db2.gz TUTAZQARJQBMLY-HNNXBMFYSA-N 1 1 363.849 3.448 20 5 FGBDMO C[N@H+]1CCCC[C@@H](CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000600316261 506900620 /nfs/dbraw/zinc/90/06/20/506900620.db2.gz YPAJGVPWLYNRIR-ZDUSSCGKSA-N 1 1 374.466 3.180 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000600316273 506900667 /nfs/dbraw/zinc/90/06/67/506900667.db2.gz YUCYREOCKAONRX-ZDUSSCGKSA-N 1 1 351.472 3.169 20 5 FGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)cc1 ZINC000590748357 506936076 /nfs/dbraw/zinc/93/60/76/506936076.db2.gz QPHXYRWHESWSMW-VQTJNVASSA-N 1 1 374.412 3.164 20 5 FGBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000594198705 507002698 /nfs/dbraw/zinc/00/26/98/507002698.db2.gz VDMUJRFDEPEFPT-UKRRQHHQSA-N 1 1 371.359 3.360 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594231112 507027698 /nfs/dbraw/zinc/02/76/98/507027698.db2.gz AIUGHQLTALZUOZ-USXIJHARSA-N 1 1 360.458 3.280 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)c1 ZINC000609916496 507048509 /nfs/dbraw/zinc/04/85/09/507048509.db2.gz UMLDKHSQPHQJCW-VQIMIIECSA-N 1 1 374.412 3.038 20 5 FGBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594284481 507063517 /nfs/dbraw/zinc/06/35/17/507063517.db2.gz YXHADVCHKGUCDW-PKOBYXMFSA-N 1 1 372.469 3.286 20 5 FGBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000594284407 507063765 /nfs/dbraw/zinc/06/37/65/507063765.db2.gz XCOAITLUWUPADP-OALUTQOASA-N 1 1 372.469 3.286 20 5 FGBDMO Cc1ccc(C[C@@H](C)[N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000610003491 507067747 /nfs/dbraw/zinc/06/77/47/507067747.db2.gz BDGYCGVNHLWBTN-APWZRJJASA-N 1 1 358.438 3.206 20 5 FGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000597713619 507071161 /nfs/dbraw/zinc/07/11/61/507071161.db2.gz DPBFPFLMSZTTDH-KDOFPFPSSA-N 1 1 363.483 3.020 20 5 FGBDMO C[C@]12CCC[N@H+]1C[C@H](c1noc(-c3ccc([N+](=O)[O-])cc3Cl)n1)OC2 ZINC000584020322 507105825 /nfs/dbraw/zinc/10/58/25/507105825.db2.gz XGQLRBRTZDEKHE-CZUORRHYSA-N 1 1 364.789 3.224 20 5 FGBDMO COCC[C@H]1CCCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000613548317 507148380 /nfs/dbraw/zinc/14/83/80/507148380.db2.gz NFBDMDFIZSYDAF-CQSZACIVSA-N 1 1 350.415 3.005 20 5 FGBDMO COC[C@H](CC(C)(C)C)[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000594514072 507165188 /nfs/dbraw/zinc/16/51/88/507165188.db2.gz GLQBWTWUYXWWKT-DOTOQJQBSA-N 1 1 360.458 3.459 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1-c1nc(CCCCn2c[nH+]c(C)c2C)no1 ZINC000594534076 507174413 /nfs/dbraw/zinc/17/44/13/507174413.db2.gz HDWAEFVQCOWUTD-UHFFFAOYSA-N 1 1 371.397 3.490 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC000597921934 507176631 /nfs/dbraw/zinc/17/66/31/507176631.db2.gz IDGZJJMKJWOCFD-HNNXBMFYSA-N 1 1 368.437 3.259 20 5 FGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597925463 507178578 /nfs/dbraw/zinc/17/85/78/507178578.db2.gz PXRJYXXYIGDVFK-CHWSQXEVSA-N 1 1 351.472 3.064 20 5 FGBDMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000600941819 507202291 /nfs/dbraw/zinc/20/22/91/507202291.db2.gz KQTBUBYZEHOFFZ-HNNXBMFYSA-N 1 1 361.373 3.284 20 5 FGBDMO O=[N+]([O-])c1cnc(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c(Br)c1 ZINC000594604067 507206828 /nfs/dbraw/zinc/20/68/28/507206828.db2.gz XWUFJSVTNGFLBJ-OLZOCXBDSA-N 1 1 355.236 3.181 20 5 FGBDMO O=[N+]([O-])c1cnc(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c(Br)c1 ZINC000594604067 507206837 /nfs/dbraw/zinc/20/68/37/507206837.db2.gz XWUFJSVTNGFLBJ-OLZOCXBDSA-N 1 1 355.236 3.181 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1CN1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000610433344 507237742 /nfs/dbraw/zinc/23/77/42/507237742.db2.gz CNMRAXNNDJRQGX-IBGZPJMESA-N 1 1 355.438 3.310 20 5 FGBDMO C[C@@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C[C@]2(CCO[C@H](C)C2)O1 ZINC000601158672 507282184 /nfs/dbraw/zinc/28/21/84/507282184.db2.gz AIXVQILMDUTRJQ-PJIJBLCYSA-N 1 1 357.410 3.306 20 5 FGBDMO CSc1cccc(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000598220472 507324506 /nfs/dbraw/zinc/32/45/06/507324506.db2.gz PPFDVXOWMLVHOU-ZDUSSCGKSA-N 1 1 363.483 3.454 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000595011275 507354261 /nfs/dbraw/zinc/35/42/61/507354261.db2.gz LITJEVWTOIBXOF-HNNXBMFYSA-N 1 1 373.453 3.395 20 5 FGBDMO CCOC(=O)c1cc(NCC[NH+]2Cc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000610715222 507360617 /nfs/dbraw/zinc/36/06/17/507360617.db2.gz VKSWCJMIEFOUKR-UHFFFAOYSA-N 1 1 355.394 3.199 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC3(CCC3)[C@@H]1C1CCOCC1)OCCO2 ZINC000591839069 507385921 /nfs/dbraw/zinc/38/59/21/507385921.db2.gz VEGHYNMKHSKCBQ-IBGZPJMESA-N 1 1 374.437 3.147 20 5 FGBDMO Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)c3c(F)cccc3[N+](=O)[O-])C2)c1 ZINC000601851617 507487291 /nfs/dbraw/zinc/48/72/91/507487291.db2.gz UJZZLCPJVBCCLS-OAHLLOKOSA-N 1 1 357.385 3.047 20 5 FGBDMO COc1cc(C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)ccn1 ZINC000592132485 507497632 /nfs/dbraw/zinc/49/76/32/507497632.db2.gz HHXYVSSNPIAXAF-IYARVYRRSA-N 1 1 371.437 3.304 20 5 FGBDMO COc1cc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)ccn1 ZINC000592132485 507497637 /nfs/dbraw/zinc/49/76/37/507497637.db2.gz HHXYVSSNPIAXAF-IYARVYRRSA-N 1 1 371.437 3.304 20 5 FGBDMO COC(=O)c1ccnc(N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000598589905 507508812 /nfs/dbraw/zinc/50/88/12/507508812.db2.gz VPQFOLQETYFXFU-HIFRSBDPSA-N 1 1 370.409 3.024 20 5 FGBDMO Cc1noc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1[N+](=O)[O-] ZINC000595473299 507516373 /nfs/dbraw/zinc/51/63/73/507516373.db2.gz ABMGRYDEYCTVGD-QGZVFWFLSA-N 1 1 358.442 3.282 20 5 FGBDMO C[C@H]1CC2(C[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CCOCC2 ZINC000592181470 507525455 /nfs/dbraw/zinc/52/54/55/507525455.db2.gz DTURCIIYLFHMAE-LBPRGKRZSA-N 1 1 367.833 3.078 20 5 FGBDMO C[C@H]1CC2(C[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CCOCC2 ZINC000592181470 507525464 /nfs/dbraw/zinc/52/54/64/507525464.db2.gz DTURCIIYLFHMAE-LBPRGKRZSA-N 1 1 367.833 3.078 20 5 FGBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCCC[C@H]2C2CCC2)cc1 ZINC000592200094 507534276 /nfs/dbraw/zinc/53/42/76/507534276.db2.gz WEXAJXZRZAVZCT-KRWDZBQOSA-N 1 1 352.456 3.023 20 5 FGBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCCC[C@H]2C2CCC2)cc1 ZINC000592200094 507534287 /nfs/dbraw/zinc/53/42/87/507534287.db2.gz WEXAJXZRZAVZCT-KRWDZBQOSA-N 1 1 352.456 3.023 20 5 FGBDMO C[C@@H](NC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000595583764 507575377 /nfs/dbraw/zinc/57/53/77/507575377.db2.gz ZIDSVBFRPXBPSV-GDBMZVCRSA-N 1 1 360.458 3.077 20 5 FGBDMO Cc1cccc(OCC[N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000611253184 507581854 /nfs/dbraw/zinc/58/18/54/507581854.db2.gz NLNIWGGCQDPOTQ-UHFFFAOYSA-N 1 1 358.394 3.185 20 5 FGBDMO Cc1cccc(OCC[N@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000611253184 507581856 /nfs/dbraw/zinc/58/18/56/507581856.db2.gz NLNIWGGCQDPOTQ-UHFFFAOYSA-N 1 1 358.394 3.185 20 5 FGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2cccnc2)CC1 ZINC000611258838 507585476 /nfs/dbraw/zinc/58/54/76/507585476.db2.gz SCPLLNVZWSGOHG-CQSZACIVSA-N 1 1 354.410 3.196 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000595665534 507619529 /nfs/dbraw/zinc/61/95/29/507619529.db2.gz VOOPATNYWVCZIZ-SJLPKXTDSA-N 1 1 374.485 3.357 20 5 FGBDMO CN1CCO[C@H]2CC[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C[C@@H]21 ZINC000585767640 507623375 /nfs/dbraw/zinc/62/33/75/507623375.db2.gz XREZOFLOWIGMEU-ROUUACIJSA-N 1 1 373.478 3.228 20 5 FGBDMO C[N@H+]1C[C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000592463360 507665043 /nfs/dbraw/zinc/66/50/43/507665043.db2.gz OLTLRZJUCUEFNN-QAPCUYQASA-N 1 1 354.410 3.062 20 5 FGBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H]2[C@@H](C)O)cc1OC ZINC000595767565 507675948 /nfs/dbraw/zinc/67/59/48/507675948.db2.gz YQNVVSUHOARATF-IIAWOOMASA-N 1 1 366.458 3.374 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@H]([C@H]4CCCCO4)C3)n2)cc1 ZINC000595785295 507683522 /nfs/dbraw/zinc/68/35/22/507683522.db2.gz DDUUIENKIZQURL-NVXWUHKLSA-N 1 1 372.425 3.426 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@@H]([C@@H]4CCCCO4)C3)o2)cc1 ZINC000595791896 507687810 /nfs/dbraw/zinc/68/78/10/507687810.db2.gz XWQVDTYXLPYOFL-WBVHZDCISA-N 1 1 372.425 3.426 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@@H]([C@H]4CCCCO4)C3)o2)cc1 ZINC000595791894 507688733 /nfs/dbraw/zinc/68/87/33/507688733.db2.gz XWQVDTYXLPYOFL-NVXWUHKLSA-N 1 1 372.425 3.426 20 5 FGBDMO Cc1ccc(C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC2CC2)cn1 ZINC000592525794 507694911 /nfs/dbraw/zinc/69/49/11/507694911.db2.gz NFDFHPMNOZBNDF-UHFFFAOYSA-N 1 1 369.421 3.482 20 5 FGBDMO Cc1ccc(C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC2CC2)cn1 ZINC000592525794 507694914 /nfs/dbraw/zinc/69/49/14/507694914.db2.gz NFDFHPMNOZBNDF-UHFFFAOYSA-N 1 1 369.421 3.482 20 5 FGBDMO COc1ccc(OCC[N@@H+]2CC3(CCCC3)OC[C@H]2C)c([N+](=O)[O-])c1 ZINC000595815820 507698801 /nfs/dbraw/zinc/69/88/01/507698801.db2.gz SXXYSLIOBGWZPZ-CQSZACIVSA-N 1 1 350.415 3.016 20 5 FGBDMO COc1ccc(OCC[N@H+]2CC3(CCCC3)OC[C@H]2C)c([N+](=O)[O-])c1 ZINC000595815820 507698807 /nfs/dbraw/zinc/69/88/07/507698807.db2.gz SXXYSLIOBGWZPZ-CQSZACIVSA-N 1 1 350.415 3.016 20 5 FGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](N(C)c2ccccc2)C1 ZINC000595826174 507704023 /nfs/dbraw/zinc/70/40/23/507704023.db2.gz JZJOWBJBQVGUDY-RDJZCZTQSA-N 1 1 368.437 3.133 20 5 FGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](N(C)c2ccccc2)C1 ZINC000595826174 507704026 /nfs/dbraw/zinc/70/40/26/507704026.db2.gz JZJOWBJBQVGUDY-RDJZCZTQSA-N 1 1 368.437 3.133 20 5 FGBDMO Cc1csc(CC[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000611560367 507738746 /nfs/dbraw/zinc/73/87/46/507738746.db2.gz ZPMYRUMJUBGAAK-MRXNPFEDSA-N 1 1 357.439 3.015 20 5 FGBDMO CCC1(O)CCC([NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000611560859 507739332 /nfs/dbraw/zinc/73/93/32/507739332.db2.gz RFBHLWLJVGKXGZ-URSIVYNOSA-N 1 1 358.442 3.091 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]CC1(O)CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000611560919 507740538 /nfs/dbraw/zinc/74/05/38/507740538.db2.gz HWRTYVMXXLNOTN-QGZVFWFLSA-N 1 1 358.442 3.093 20 5 FGBDMO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000172177183 705410016 /nfs/dbraw/zinc/41/00/16/705410016.db2.gz MGTABBLVTZOQEC-CYBMUJFWSA-N 1 1 353.850 3.377 20 5 FGBDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000172177183 705410017 /nfs/dbraw/zinc/41/00/17/705410017.db2.gz MGTABBLVTZOQEC-CYBMUJFWSA-N 1 1 353.850 3.377 20 5 FGBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000182083000 705825113 /nfs/dbraw/zinc/82/51/13/705825113.db2.gz VKZRFOVEPREHMW-CYBMUJFWSA-N 1 1 361.829 3.499 20 5 FGBDMO CCOc1cc(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)ccc1[N+](=O)[O-] ZINC000577401830 714464881 /nfs/dbraw/zinc/46/48/81/714464881.db2.gz PVWVSOLGNIJZFU-AWEZNQCLSA-N 1 1 350.806 3.290 20 5 FGBDMO CCOc1cc(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)ccc1[N+](=O)[O-] ZINC000577401830 714464884 /nfs/dbraw/zinc/46/48/84/714464884.db2.gz PVWVSOLGNIJZFU-AWEZNQCLSA-N 1 1 350.806 3.290 20 5 FGBDMO COCC[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H]1CC[C@H](C)C1 ZINC000616742544 714597090 /nfs/dbraw/zinc/59/70/90/714597090.db2.gz DLTGWCBKRWPCFE-DZGCQCFKSA-N 1 1 350.415 3.003 20 5 FGBDMO CC(C)(C)OC(=O)NCC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000748804178 722705156 /nfs/dbraw/zinc/70/51/56/722705156.db2.gz DOMJLICAVNDUHU-UHFFFAOYSA-N 1 1 355.460 3.393 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC=C(Br)C1 ZINC000799327999 724011643 /nfs/dbraw/zinc/01/16/43/724011643.db2.gz BVGKXOUYDFNICV-UHFFFAOYSA-N 1 1 368.231 3.216 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC=C(Br)C1 ZINC000799327999 724011648 /nfs/dbraw/zinc/01/16/48/724011648.db2.gz BVGKXOUYDFNICV-UHFFFAOYSA-N 1 1 368.231 3.216 20 5 FGBDMO Cc1ccc(NC[C@H](C)C[NH+]2CCOCC2)c([N+](=O)[O-])c1Br ZINC000804477156 724520889 /nfs/dbraw/zinc/52/08/89/724520889.db2.gz TVRPFRVFFFUGJQ-NSHDSACASA-N 1 1 372.263 3.046 20 5 FGBDMO O=[N+]([O-])c1ccc(Cl)cc1NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000804607483 724533697 /nfs/dbraw/zinc/53/36/97/724533697.db2.gz YZDVUKUGXIJQNM-MRXNPFEDSA-N 1 1 361.829 3.427 20 5 FGBDMO C[C@H]1CC[C@H](C)[NH+]1CC(=O)OCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000785735846 724933713 /nfs/dbraw/zinc/93/37/13/724933713.db2.gz VAHICZBVQYGDRR-QWRGUYRKSA-N 1 1 371.231 3.273 20 5 FGBDMO O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000715598192 722416161 /nfs/dbraw/zinc/41/61/61/722416161.db2.gz QLDVLROJBWEYNL-HNNXBMFYSA-N 1 1 359.813 3.253 20 5 FGBDMO O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000715598192 722416163 /nfs/dbraw/zinc/41/61/63/722416163.db2.gz QLDVLROJBWEYNL-HNNXBMFYSA-N 1 1 359.813 3.253 20 5 FGBDMO O=C(C[N@@H+]1CCC[C@]2(CCCOC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000747846269 722663132 /nfs/dbraw/zinc/66/31/32/722663132.db2.gz JZUDKWFCVFRQNW-KRWDZBQOSA-N 1 1 367.833 3.079 20 5 FGBDMO O=C(C[N@H+]1CCC[C@]2(CCCOC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000747846269 722663133 /nfs/dbraw/zinc/66/31/33/722663133.db2.gz JZUDKWFCVFRQNW-KRWDZBQOSA-N 1 1 367.833 3.079 20 5 FGBDMO CCCC[N@@H+](C)CCNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000755035334 722949560 /nfs/dbraw/zinc/94/95/60/722949560.db2.gz HFXBEESZQLDEFC-UHFFFAOYSA-N 1 1 373.251 3.211 20 5 FGBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000790265080 723119394 /nfs/dbraw/zinc/11/93/94/723119394.db2.gz KLOLUMIJCNPEOM-JTQLQIEISA-N 1 1 364.789 3.142 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000791129604 723213358 /nfs/dbraw/zinc/21/33/58/723213358.db2.gz OSUHZXPGRSCZFA-YPMHNXCESA-N 1 1 371.840 3.261 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000765472330 723515556 /nfs/dbraw/zinc/51/55/56/723515556.db2.gz RQKRIPCISYVADE-BETUJISGSA-N 1 1 353.850 3.346 20 5 FGBDMO Cc1cc(C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)c(N)c([N+](=O)[O-])c1 ZINC000799057019 723985166 /nfs/dbraw/zinc/98/51/66/723985166.db2.gz KWDQOFTVPSEDEB-UHFFFAOYSA-N 1 1 362.817 3.453 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3CCc4cc(Cl)ccc43)CC2)cn1 ZINC000777682802 724250225 /nfs/dbraw/zinc/25/02/25/724250225.db2.gz JBWWXSBDPMHEKR-QGZVFWFLSA-N 1 1 358.829 3.453 20 5 FGBDMO CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000801513212 724308491 /nfs/dbraw/zinc/30/84/91/724308491.db2.gz JOSHCBCWYFOHRG-ZDUSSCGKSA-N 1 1 351.422 3.107 20 5 FGBDMO C[C@@H]1CC[C@](CO)([N@@H+](C)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000801546975 724312119 /nfs/dbraw/zinc/31/21/19/724312119.db2.gz XQNKLDFDFYCEFA-ABAIWWIYSA-N 1 1 357.248 3.340 20 5 FGBDMO C[C@@H](C[N@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1nccs1 ZINC000784586195 724865773 /nfs/dbraw/zinc/86/57/73/724865773.db2.gz UCIRNSYXYSRRIC-JTQLQIEISA-N 1 1 368.846 3.379 20 5 FGBDMO C[C@@H](C[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1nccs1 ZINC000784586195 724865777 /nfs/dbraw/zinc/86/57/77/724865777.db2.gz UCIRNSYXYSRRIC-JTQLQIEISA-N 1 1 368.846 3.379 20 5 FGBDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000785986787 724953499 /nfs/dbraw/zinc/95/34/99/724953499.db2.gz DGAOLCFVMOZNLT-UHIISALHSA-N 1 1 357.248 3.339 20 5 FGBDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000785986787 724953500 /nfs/dbraw/zinc/95/35/00/724953500.db2.gz DGAOLCFVMOZNLT-UHIISALHSA-N 1 1 357.248 3.339 20 5 FGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)C(C)(C)[NH+]1CCCC1 ZINC000805616057 725083276 /nfs/dbraw/zinc/08/32/76/725083276.db2.gz POQPPDQMKZDUSX-UHFFFAOYSA-N 1 1 350.415 3.300 20 5 FGBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000809883861 725274904 /nfs/dbraw/zinc/27/49/04/725274904.db2.gz VVJRTHGUVBWBQY-JTQLQIEISA-N 1 1 373.251 3.208 20 5 FGBDMO O=C(O[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000810836877 725330128 /nfs/dbraw/zinc/33/01/28/725330128.db2.gz CVTKSRFRHJVFSI-OCCSQVGLSA-N 1 1 358.316 3.397 20 5 FGBDMO O=[N+]([O-])c1ccc(CNc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)cc1Cl ZINC000812778610 726809798 /nfs/dbraw/zinc/80/97/98/726809798.db2.gz MJGCYVMQVMHLKI-MRXNPFEDSA-N 1 1 361.829 3.427 20 5 FGBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000823629229 729294164 /nfs/dbraw/zinc/29/41/64/729294164.db2.gz LJWUBQSMKCZCEG-KZNAEPCWSA-N 1 1 362.813 3.090 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCC[N@H+](C)C2CCCCC2)c1F ZINC000823909330 729312542 /nfs/dbraw/zinc/31/25/42/729312542.db2.gz ZRMTXBYYEPOLPG-UHFFFAOYSA-N 1 1 355.385 3.176 20 5 FGBDMO C[C@@H]1Cc2c([nH+]cn2CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C ZINC000829812555 729513764 /nfs/dbraw/zinc/51/37/64/729513764.db2.gz YUAPQKUSHDPXCE-WDEREUQCSA-N 1 1 362.817 3.454 20 5 FGBDMO C[C@@H]1Cc2c([nH+]cn2CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000830918691 729602330 /nfs/dbraw/zinc/60/23/30/729602330.db2.gz IOKHXDJGXKIUTE-WDEREUQCSA-N 1 1 362.817 3.454 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1Cl ZINC000836221629 729948371 /nfs/dbraw/zinc/94/83/71/729948371.db2.gz NHPWPURGUDRLBJ-CQSZACIVSA-N 1 1 351.790 3.182 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1Cl ZINC000836723539 729967320 /nfs/dbraw/zinc/96/73/20/729967320.db2.gz BYJBQSVCVHPQLQ-YHWZYXNKSA-N 1 1 351.834 3.302 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cc1Cl ZINC000836780416 729969717 /nfs/dbraw/zinc/96/97/17/729969717.db2.gz UPNVBJKSVPOKPN-MRXNPFEDSA-N 1 1 359.813 3.473 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cc1Cl ZINC000836780416 729969718 /nfs/dbraw/zinc/96/97/18/729969718.db2.gz UPNVBJKSVPOKPN-MRXNPFEDSA-N 1 1 359.813 3.473 20 5 FGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH+]1CCC2(CC1)OCCCO2 ZINC000877551886 736682783 /nfs/dbraw/zinc/68/27/83/736682783.db2.gz MTCUENHHJLDNSG-UHFFFAOYSA-N 1 1 360.332 3.343 20 5 FGBDMO C[C@H](CO)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000844415268 730715005 /nfs/dbraw/zinc/71/50/05/730715005.db2.gz RBKFETHQLYCAJO-LLVKDONJSA-N 1 1 357.248 3.198 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@]4(CC4(F)F)C3)n2)c1 ZINC000844437648 730718030 /nfs/dbraw/zinc/71/80/30/730718030.db2.gz UPCDGUHWCUYJPS-HNNXBMFYSA-N 1 1 350.325 3.266 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@]4(CC4(F)F)C3)n2)c1 ZINC000844437648 730718031 /nfs/dbraw/zinc/71/80/31/730718031.db2.gz UPCDGUHWCUYJPS-HNNXBMFYSA-N 1 1 350.325 3.266 20 5 FGBDMO C[C@@H](O)c1ncc(C[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])s1 ZINC000883288063 737547427 /nfs/dbraw/zinc/54/74/27/737547427.db2.gz PXEMNFWLVMUPDG-MRVPVSSYSA-N 1 1 372.244 3.157 20 5 FGBDMO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1cc([N+](=O)[O-])ccc1Cl ZINC000856476302 732031551 /nfs/dbraw/zinc/03/15/51/732031551.db2.gz TZQPGMKCAYFQMN-CYBMUJFWSA-N 1 1 351.834 3.100 20 5 FGBDMO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000857322591 732121052 /nfs/dbraw/zinc/12/10/52/732121052.db2.gz HBGQPKWUTHTLHF-CYBMUJFWSA-N 1 1 351.834 3.385 20 5 FGBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000859783232 732392003 /nfs/dbraw/zinc/39/20/03/732392003.db2.gz OMOJYVJIGXJCIX-ZDUSSCGKSA-N 1 1 351.834 3.052 20 5 FGBDMO C[N@H+]1CCCC[C@H]1CCOC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000859999541 732430519 /nfs/dbraw/zinc/43/05/19/732430519.db2.gz CWHPWGSANUQLQW-NSHDSACASA-N 1 1 371.231 3.389 20 5 FGBDMO C[C@@H]1C[NH+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H](C)C1(F)F ZINC000863274322 732937134 /nfs/dbraw/zinc/93/71/34/732937134.db2.gz IWOVTQYFOYVCAY-VXGBXAGGSA-N 1 1 351.357 3.034 20 5 FGBDMO C[C@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000863323779 732945704 /nfs/dbraw/zinc/94/57/04/732945704.db2.gz TYFYCQMSSVSKNE-WCQYABFASA-N 1 1 365.231 3.389 20 5 FGBDMO C[C@H]1C[C@@H](c2ccc(Br)cc2)C[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000863323779 732945708 /nfs/dbraw/zinc/94/57/08/732945708.db2.gz TYFYCQMSSVSKNE-WCQYABFASA-N 1 1 365.231 3.389 20 5 FGBDMO Cc1csc([C@@H]2CC[N@@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C2)n1 ZINC000877813759 736727570 /nfs/dbraw/zinc/72/75/70/736727570.db2.gz OPKYMOYBKLEYID-GFCCVEGCSA-N 1 1 361.423 3.120 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](c3nccs3)C2)cccc1[N+](=O)[O-] ZINC000880318313 737153543 /nfs/dbraw/zinc/15/35/43/737153543.db2.gz FBALMPKTBNCFGK-OLZOCXBDSA-N 1 1 360.439 3.176 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@H](c3nccs3)C2)cccc1[N+](=O)[O-] ZINC000880318313 737153548 /nfs/dbraw/zinc/15/35/48/737153548.db2.gz FBALMPKTBNCFGK-OLZOCXBDSA-N 1 1 360.439 3.176 20 5 FGBDMO O=[N+]([O-])c1c(Br)cc(F)cc1N[C@H]1CCn2cc[nH+]c2C1 ZINC000882208786 737433063 /nfs/dbraw/zinc/43/30/63/737433063.db2.gz BIQFRRNSDPYALT-VIFPVBQESA-N 1 1 355.167 3.120 20 5 FGBDMO O=[N+]([O-])c1ncccc1C[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000886193825 739227362 /nfs/dbraw/zinc/22/73/62/739227362.db2.gz CSKVLZYURXVRNQ-CQSZACIVSA-N 1 1 363.215 3.388 20 5 FGBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@]3(CO)CCC[C@@H]23)c1Br ZINC000886634309 739277469 /nfs/dbraw/zinc/27/74/69/739277469.db2.gz AFTRCFFFZFPOCK-UKRRQHHQSA-N 1 1 355.232 3.094 20 5 FGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@]3(CO)CCC[C@@H]23)c1Br ZINC000886634309 739277472 /nfs/dbraw/zinc/27/74/72/739277472.db2.gz AFTRCFFFZFPOCK-UKRRQHHQSA-N 1 1 355.232 3.094 20 5 FGBDMO CSCc1nnc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000886755505 739292192 /nfs/dbraw/zinc/29/21/92/739292192.db2.gz KNFIMUKIEQRWSQ-JSGCOSHPSA-N 1 1 361.471 3.077 20 5 FGBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000888278368 739495113 /nfs/dbraw/zinc/49/51/13/739495113.db2.gz RGVYUUXRLNMTJJ-SMDDNHRTSA-N 1 1 352.822 3.115 20 5 FGBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000900882043 743190857 /nfs/dbraw/zinc/19/08/57/743190857.db2.gz PLCLZWLQXQANRS-NSHDSACASA-N 1 1 357.813 3.191 20 5 FGBDMO Cc1c(C[N@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000573759482 505612396 /nfs/dbraw/zinc/61/23/96/505612396.db2.gz QLLDSBXWXNURCE-HXUWFJFHSA-N 1 1 358.413 3.469 20 5 FGBDMO CC[C@@H](C(=O)NCCc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000568146974 505627901 /nfs/dbraw/zinc/62/79/01/505627901.db2.gz IHIFXHZLAHSGKX-SFHVURJKSA-N 1 1 355.438 3.164 20 5 FGBDMO CCO[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000076401738 493886383 /nfs/dbraw/zinc/88/63/83/493886383.db2.gz ILPLIJIWOMHULB-GFCCVEGCSA-N 1 1 360.357 3.206 20 5 FGBDMO CCO[C@@H]1CCC[N@@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000076401738 493886386 /nfs/dbraw/zinc/88/63/86/493886386.db2.gz ILPLIJIWOMHULB-GFCCVEGCSA-N 1 1 360.357 3.206 20 5 FGBDMO C[N@@H+](CCNC(=O)CSc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000068906147 493893832 /nfs/dbraw/zinc/89/38/32/493893832.db2.gz ARRQTWISSJKKSW-UHFFFAOYSA-N 1 1 351.472 3.068 20 5 FGBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050580883 493922167 /nfs/dbraw/zinc/92/21/67/493922167.db2.gz GOBIXSGDSDFCSU-GOEBONIOSA-N 1 1 372.450 3.075 20 5 FGBDMO C[C@H](c1cc(F)ccc1F)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000051407585 493967315 /nfs/dbraw/zinc/96/73/15/493967315.db2.gz QQCVNKKLZKPOEX-DOMZBBRYSA-N 1 1 366.364 3.306 20 5 FGBDMO C[C@H](c1cc(F)ccc1F)[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000051407585 493967317 /nfs/dbraw/zinc/96/73/17/493967317.db2.gz QQCVNKKLZKPOEX-DOMZBBRYSA-N 1 1 366.364 3.306 20 5 FGBDMO Cc1ccccc1[C@@H]1CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000051449395 493970484 /nfs/dbraw/zinc/97/04/84/493970484.db2.gz GQUBLHRNGYBQQI-PXNSSMCTSA-N 1 1 356.422 3.480 20 5 FGBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000051469794 493972871 /nfs/dbraw/zinc/97/28/71/493972871.db2.gz AMTBOSLSSBJRLJ-ZDUSSCGKSA-N 1 1 374.466 3.178 20 5 FGBDMO Cc1cc(C)c(NC(=O)C[N@H+](C)CCOc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000051589981 493977451 /nfs/dbraw/zinc/97/74/51/493977451.db2.gz XUXUZVVTRHYMQK-UHFFFAOYSA-N 1 1 371.437 3.469 20 5 FGBDMO Cc1cc(C)c(NC(=O)C[N@@H+](C)CCOc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000051589981 493977456 /nfs/dbraw/zinc/97/74/56/493977456.db2.gz XUXUZVVTRHYMQK-UHFFFAOYSA-N 1 1 371.437 3.469 20 5 FGBDMO CC[C@@H](CNC(=O)c1ccc(C)c([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000032446233 493990144 /nfs/dbraw/zinc/99/01/44/493990144.db2.gz KHTKDEGOSHXOMD-IBGZPJMESA-N 1 1 367.449 3.470 20 5 FGBDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083169848 494001554 /nfs/dbraw/zinc/00/15/54/494001554.db2.gz GEOJQSYBTNMYGL-UONOGXRCSA-N 1 1 374.441 3.253 20 5 FGBDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083169848 494001557 /nfs/dbraw/zinc/00/15/57/494001557.db2.gz GEOJQSYBTNMYGL-UONOGXRCSA-N 1 1 374.441 3.253 20 5 FGBDMO COc1ccccc1[C@H](CNC(=O)c1cc([N+](=O)[O-])c(C)s1)[NH+](C)C ZINC000032695897 494006036 /nfs/dbraw/zinc/00/60/36/494006036.db2.gz NIPGDYWDQPCOTQ-AWEZNQCLSA-N 1 1 363.439 3.006 20 5 FGBDMO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000077494852 494095844 /nfs/dbraw/zinc/09/58/44/494095844.db2.gz NNWDCSZDKKFQSL-HNNXBMFYSA-N 1 1 357.385 3.128 20 5 FGBDMO O=[N+]([O-])c1ccc(NCC[NH+]2CCN(c3ccc(F)cc3)CC2)s1 ZINC000064029490 494102212 /nfs/dbraw/zinc/10/22/12/494102212.db2.gz XPTRCSYPHFOQGP-UHFFFAOYSA-N 1 1 350.419 3.030 20 5 FGBDMO Cc1c(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000071951249 494111234 /nfs/dbraw/zinc/11/12/34/494111234.db2.gz VNJYULJTCAZBTN-UHFFFAOYSA-N 1 1 371.412 3.390 20 5 FGBDMO Cc1c(C[N@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000071951249 494111235 /nfs/dbraw/zinc/11/12/35/494111235.db2.gz VNJYULJTCAZBTN-UHFFFAOYSA-N 1 1 371.412 3.390 20 5 FGBDMO Cc1cc(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000054226290 494210504 /nfs/dbraw/zinc/21/05/04/494210504.db2.gz SWFABZWCXNJHTN-YJBOKZPZSA-N 1 1 353.422 3.469 20 5 FGBDMO Cc1ccccc1C[N@H+]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065534279 494210871 /nfs/dbraw/zinc/21/08/71/494210871.db2.gz HYLHQMUMGZLHDB-UHFFFAOYSA-N 1 1 369.465 3.490 20 5 FGBDMO CCS[C@H]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000072837338 494261455 /nfs/dbraw/zinc/26/14/55/494261455.db2.gz YIVUYIANLDZXFK-HIFRSBDPSA-N 1 1 351.472 3.448 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCS[C@H](C(C)C)C1 ZINC000072837081 494261714 /nfs/dbraw/zinc/26/17/14/494261714.db2.gz CXZYNDOVYDYROA-INIZCTEOSA-N 1 1 367.471 3.005 20 5 FGBDMO COc1ccccc1[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1C)[NH+](C)C ZINC000043149756 494271196 /nfs/dbraw/zinc/27/11/96/494271196.db2.gz HFRSBGDMUJLSRU-QGZVFWFLSA-N 1 1 372.425 3.336 20 5 FGBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000066140000 494277892 /nfs/dbraw/zinc/27/78/92/494277892.db2.gz MDHZGBFOEYFTQE-LBPRGKRZSA-N 1 1 362.455 3.178 20 5 FGBDMO CCc1cc(N2CC[C@@H](C[N@H+](C)CC)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000078583827 494323940 /nfs/dbraw/zinc/32/39/40/494323940.db2.gz QZEGFZVXGAOIPS-HNNXBMFYSA-N 1 1 369.469 3.392 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000055404540 494338288 /nfs/dbraw/zinc/33/82/88/494338288.db2.gz UGJSZQHOJWLAPO-CHWSQXEVSA-N 1 1 351.472 3.167 20 5 FGBDMO CCC[N@@H+]1Cc2cccc(NC(=O)COc3cccc([N+](=O)[O-])c3)c2C1 ZINC000066514493 494348237 /nfs/dbraw/zinc/34/82/37/494348237.db2.gz MNJMYJLDTXWCIX-UHFFFAOYSA-N 1 1 355.394 3.338 20 5 FGBDMO CCC[N@H+]1Cc2cccc(NC(=O)COc3cccc([N+](=O)[O-])c3)c2C1 ZINC000066514493 494348239 /nfs/dbraw/zinc/34/82/39/494348239.db2.gz MNJMYJLDTXWCIX-UHFFFAOYSA-N 1 1 355.394 3.338 20 5 FGBDMO CC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 ZINC000078757623 494356762 /nfs/dbraw/zinc/35/67/62/494356762.db2.gz OQMHBQCZIMQWLI-UHFFFAOYSA-N 1 1 355.394 3.165 20 5 FGBDMO Cn1cc(C[C@H]2CC[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)cn1 ZINC000089907714 494397556 /nfs/dbraw/zinc/39/75/56/494397556.db2.gz YTEVKWVEBACPOI-CQSZACIVSA-N 1 1 367.409 3.048 20 5 FGBDMO Cc1c(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000571375861 505718220 /nfs/dbraw/zinc/71/82/20/505718220.db2.gz IVAMXVFAGRHVKO-QFBILLFUSA-N 1 1 372.469 3.062 20 5 FGBDMO C[N@@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1 ZINC000089997023 494423000 /nfs/dbraw/zinc/42/30/00/494423000.db2.gz JVCRRFMLRJXYIL-IRXDYDNUSA-N 1 1 359.813 3.423 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1 ZINC000089997023 494423005 /nfs/dbraw/zinc/42/30/05/494423005.db2.gz JVCRRFMLRJXYIL-IRXDYDNUSA-N 1 1 359.813 3.423 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000067024681 494457567 /nfs/dbraw/zinc/45/75/67/494457567.db2.gz XZUYSXJCEIPZRG-QGZVFWFLSA-N 1 1 357.410 3.453 20 5 FGBDMO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000021921138 494511438 /nfs/dbraw/zinc/51/14/38/494511438.db2.gz GDZXPANVQBKQFU-ZDUSSCGKSA-N 1 1 373.409 3.071 20 5 FGBDMO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000021921138 494511440 /nfs/dbraw/zinc/51/14/40/494511440.db2.gz GDZXPANVQBKQFU-ZDUSSCGKSA-N 1 1 373.409 3.071 20 5 FGBDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccc([N+](=O)[O-])o3)cc2)C1 ZINC000046596360 494538815 /nfs/dbraw/zinc/53/88/15/494538815.db2.gz XGJJHKCNILDKTQ-AWEZNQCLSA-N 1 1 357.410 3.350 20 5 FGBDMO C[C@@H](C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000079980488 494562471 /nfs/dbraw/zinc/56/24/71/494562471.db2.gz ICRPSORQPGLUMK-HNNXBMFYSA-N 1 1 367.449 3.393 20 5 FGBDMO C[C@@H](C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000079980488 494562475 /nfs/dbraw/zinc/56/24/75/494562475.db2.gz ICRPSORQPGLUMK-HNNXBMFYSA-N 1 1 367.449 3.393 20 5 FGBDMO CN(CC[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 ZINC000107684001 494582668 /nfs/dbraw/zinc/58/26/68/494582668.db2.gz TVGMVZGICHIMHZ-UHFFFAOYSA-N 1 1 367.409 3.213 20 5 FGBDMO CN(CC[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 ZINC000107684001 494582674 /nfs/dbraw/zinc/58/26/74/494582674.db2.gz TVGMVZGICHIMHZ-UHFFFAOYSA-N 1 1 367.409 3.213 20 5 FGBDMO COc1cc(C[N@@H+](C)C[C@H]2CCCOC2)c([N+](=O)[O-])cc1OC(F)F ZINC000107691377 494586431 /nfs/dbraw/zinc/58/64/31/494586431.db2.gz ADFKVTINXZXSAC-LLVKDONJSA-N 1 1 360.357 3.063 20 5 FGBDMO Cc1ccc(OC[C@@H](O)C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c(C)c1 ZINC000131421024 494612383 /nfs/dbraw/zinc/61/23/83/494612383.db2.gz VTUZOHFZTCEDHP-IBGZPJMESA-N 1 1 356.422 3.010 20 5 FGBDMO Cc1ccc(OC[C@@H](O)C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c(C)c1 ZINC000131421024 494612390 /nfs/dbraw/zinc/61/23/90/494612390.db2.gz VTUZOHFZTCEDHP-IBGZPJMESA-N 1 1 356.422 3.010 20 5 FGBDMO C[C@H](NC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000074856435 494625071 /nfs/dbraw/zinc/62/50/71/494625071.db2.gz OSCKRHQBTMNOIV-HOCLYGCPSA-N 1 1 360.458 3.029 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@H]2CO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000092456027 494632099 /nfs/dbraw/zinc/63/20/99/494632099.db2.gz WRBPLVXIVVUVNQ-SFHVURJKSA-N 1 1 372.421 3.139 20 5 FGBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000047187783 494650587 /nfs/dbraw/zinc/65/05/87/494650587.db2.gz VWRPKXVCJKURQX-CYBMUJFWSA-N 1 1 353.850 3.490 20 5 FGBDMO CCCO[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000108392622 494697950 /nfs/dbraw/zinc/69/79/50/494697950.db2.gz HEJQYJVXTBPVSE-KRWDZBQOSA-N 1 1 350.415 3.242 20 5 FGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000092664717 494703369 /nfs/dbraw/zinc/70/33/69/494703369.db2.gz WFPKICBWJCLKFN-QCHNEIPXSA-N 1 1 372.513 3.098 20 5 FGBDMO C[N@@H+](CCCO)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000126317499 494706998 /nfs/dbraw/zinc/70/69/98/494706998.db2.gz JQJVRSVZWSORLB-UHFFFAOYSA-N 1 1 373.453 3.133 20 5 FGBDMO C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1n1ccnc1 ZINC000091961126 494736614 /nfs/dbraw/zinc/73/66/14/494736614.db2.gz BOXZSXHKIUNZGH-WFASDCNBSA-N 1 1 366.368 3.476 20 5 FGBDMO C[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1n1ccnc1 ZINC000091961126 494736620 /nfs/dbraw/zinc/73/66/20/494736620.db2.gz BOXZSXHKIUNZGH-WFASDCNBSA-N 1 1 366.368 3.476 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@H](Nc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000092757956 494738311 /nfs/dbraw/zinc/73/83/11/494738311.db2.gz AEAHJVWRVAAGMJ-INIZCTEOSA-N 1 1 357.410 3.298 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000116412081 494777681 /nfs/dbraw/zinc/77/76/81/494777681.db2.gz IUBNWLXTCODFRD-KDOFPFPSSA-N 1 1 369.425 3.022 20 5 FGBDMO CCOc1ccc(C[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000026223089 494810465 /nfs/dbraw/zinc/81/04/65/494810465.db2.gz HKPVIQFXNCZSBR-UHFFFAOYSA-N 1 1 357.410 3.454 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000026257830 494814159 /nfs/dbraw/zinc/81/41/59/494814159.db2.gz KYBTXJVDOXTXRM-UHFFFAOYSA-N 1 1 371.393 3.093 20 5 FGBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000121904027 494885911 /nfs/dbraw/zinc/88/59/11/494885911.db2.gz OTWSDAPHQLZZCB-KRWDZBQOSA-N 1 1 360.458 3.143 20 5 FGBDMO Cn1cc[nH+]c1C[C@@H]1CCCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000132600081 494897783 /nfs/dbraw/zinc/89/77/83/494897783.db2.gz XYSGHRJXQNKPJU-AWEZNQCLSA-N 1 1 351.410 3.336 20 5 FGBDMO CCn1c(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc2ccccc21 ZINC000093534888 494898446 /nfs/dbraw/zinc/89/84/46/494898446.db2.gz VBVQGKDZXVMRBB-AWEZNQCLSA-N 1 1 366.425 3.046 20 5 FGBDMO CCn1c(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc2ccccc21 ZINC000093534888 494898448 /nfs/dbraw/zinc/89/84/48/494898448.db2.gz VBVQGKDZXVMRBB-AWEZNQCLSA-N 1 1 366.425 3.046 20 5 FGBDMO Cc1ccc(C[N@@H+](C)CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)s1 ZINC000117338802 494912181 /nfs/dbraw/zinc/91/21/81/494912181.db2.gz DEWIRFZCVKCQPV-UHFFFAOYSA-N 1 1 361.423 3.395 20 5 FGBDMO C[C@@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[N@H+]1CCC[C@H](C)C1 ZINC000132780423 494923844 /nfs/dbraw/zinc/92/38/44/494923844.db2.gz AOPLFGFTBMVDFA-HOTGVXAUSA-N 1 1 374.485 3.389 20 5 FGBDMO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CC[NH+](CCc2ccccc2)CC1 ZINC000110187620 494955865 /nfs/dbraw/zinc/95/58/65/494955865.db2.gz SDCYRDNGNJIABF-UHFFFAOYSA-N 1 1 373.840 3.249 20 5 FGBDMO C[C@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000110352842 494972593 /nfs/dbraw/zinc/97/25/93/494972593.db2.gz QHXOFEUQGHNBCJ-CYBMUJFWSA-N 1 1 361.829 3.499 20 5 FGBDMO COc1cc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000133424075 495012605 /nfs/dbraw/zinc/01/26/05/495012605.db2.gz YJTGEHZKPHDEIX-MRXNPFEDSA-N 1 1 373.409 3.153 20 5 FGBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000110996765 495029327 /nfs/dbraw/zinc/02/93/27/495029327.db2.gz UTHGCFAZUSJBOG-OCCSQVGLSA-N 1 1 369.849 3.006 20 5 FGBDMO CCC[N@H+]1CC[C@@H](CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000122812641 495034525 /nfs/dbraw/zinc/03/45/25/495034525.db2.gz IVBQDYMPEQOCBL-INIZCTEOSA-N 1 1 360.458 3.001 20 5 FGBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000118807881 495039483 /nfs/dbraw/zinc/03/94/83/495039483.db2.gz SXMZECRCORXGBK-LLVKDONJSA-N 1 1 372.372 3.002 20 5 FGBDMO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)CC1CCC1 ZINC000111296390 495060659 /nfs/dbraw/zinc/06/06/59/495060659.db2.gz HQDVDSYBAMTFBA-UHFFFAOYSA-N 1 1 356.220 3.028 20 5 FGBDMO O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000101920726 495108109 /nfs/dbraw/zinc/10/81/09/495108109.db2.gz VMIDSOXBMPVCCH-INIZCTEOSA-N 1 1 358.373 3.130 20 5 FGBDMO O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000101920726 495108111 /nfs/dbraw/zinc/10/81/11/495108111.db2.gz VMIDSOXBMPVCCH-INIZCTEOSA-N 1 1 358.373 3.130 20 5 FGBDMO C[N@@H+](CCCO)C1CCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000134188886 495119452 /nfs/dbraw/zinc/11/94/52/495119452.db2.gz LWGZDBBEBQGARK-UHFFFAOYSA-N 1 1 365.474 3.055 20 5 FGBDMO C[C@H]1C[C@H](N(C)C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000123360457 495120533 /nfs/dbraw/zinc/12/05/33/495120533.db2.gz BOSKJCPGSNWIOW-LFHSMUGYSA-N 1 1 351.834 3.203 20 5 FGBDMO CCS[C@@H]1CCCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000112088603 495141996 /nfs/dbraw/zinc/14/19/96/495141996.db2.gz GHFCBHFLAJAROP-MRXNPFEDSA-N 1 1 363.483 3.092 20 5 FGBDMO CC[C@@H](O)C[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000134491352 495157498 /nfs/dbraw/zinc/15/74/98/495157498.db2.gz CARSXFCMONNPRA-QGZVFWFLSA-N 1 1 371.437 3.115 20 5 FGBDMO CC[C@@H](O)C[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000134491352 495157501 /nfs/dbraw/zinc/15/75/01/495157501.db2.gz CARSXFCMONNPRA-QGZVFWFLSA-N 1 1 371.437 3.115 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000134868775 495212285 /nfs/dbraw/zinc/21/22/85/495212285.db2.gz JIZKUEBESXTUGP-WBVHZDCISA-N 1 1 353.422 3.296 20 5 FGBDMO COc1cc(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000123979194 495215682 /nfs/dbraw/zinc/21/56/82/495215682.db2.gz WDOHJDCGFMMXFA-AAEUAGOBSA-N 1 1 373.400 3.119 20 5 FGBDMO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000103469974 495237571 /nfs/dbraw/zinc/23/75/71/495237571.db2.gz RNJVOICNWCOGDJ-ZIAGYGMSSA-N 1 1 351.422 3.251 20 5 FGBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CCc1nccs1 ZINC000129402074 495240012 /nfs/dbraw/zinc/24/00/12/495240012.db2.gz OCZRVNDSWBFYCH-UHFFFAOYSA-N 1 1 366.418 3.084 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@@H](O)COc1ccc(F)cc1)C1CC1 ZINC000135224961 495265217 /nfs/dbraw/zinc/26/52/17/495265217.db2.gz LRDCTRFNWOLLCM-QGZVFWFLSA-N 1 1 360.385 3.138 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@@H](O)COc1ccc(F)cc1)C1CC1 ZINC000135224961 495265221 /nfs/dbraw/zinc/26/52/21/495265221.db2.gz LRDCTRFNWOLLCM-QGZVFWFLSA-N 1 1 360.385 3.138 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@H](O)COCc1ccccc1F)C1CC1 ZINC000135225821 495265668 /nfs/dbraw/zinc/26/56/68/495265668.db2.gz SFXZRYFTJXHHCM-SFHVURJKSA-N 1 1 374.412 3.276 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000124297336 495265811 /nfs/dbraw/zinc/26/58/11/495265811.db2.gz SSNATVPFDSDMPO-KRWDZBQOSA-N 1 1 353.422 3.406 20 5 FGBDMO CSc1ccc(C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000124444766 495288864 /nfs/dbraw/zinc/28/88/64/495288864.db2.gz SVZUUYZKJDQVSC-CQSZACIVSA-N 1 1 365.499 3.415 20 5 FGBDMO CN(C(=O)C[N@H+](C)CCc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000113266245 495290997 /nfs/dbraw/zinc/29/09/97/495290997.db2.gz VVCOLXITYGDUJD-UHFFFAOYSA-N 1 1 361.829 3.386 20 5 FGBDMO CN(C(=O)C[N@@H+](C)CCc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000113266245 495291002 /nfs/dbraw/zinc/29/10/02/495291002.db2.gz VVCOLXITYGDUJD-UHFFFAOYSA-N 1 1 361.829 3.386 20 5 FGBDMO COc1ccc(OCC[N@@H+](C)Cc2cc(Cl)cn2C)c([N+](=O)[O-])c1 ZINC000120220343 495330364 /nfs/dbraw/zinc/33/03/64/495330364.db2.gz FKGOWJRRVDARRA-UHFFFAOYSA-N 1 1 353.806 3.106 20 5 FGBDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1(C)C ZINC000120504655 495393280 /nfs/dbraw/zinc/39/32/80/495393280.db2.gz LBCWDEHYXFBURL-HOTGVXAUSA-N 1 1 350.415 3.097 20 5 FGBDMO Cc1sc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000114642128 495403152 /nfs/dbraw/zinc/40/31/52/495403152.db2.gz CGGALSOWNNODTF-HNNXBMFYSA-N 1 1 359.451 3.359 20 5 FGBDMO CN1C(=O)C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)cc1 ZINC000125223598 495409077 /nfs/dbraw/zinc/40/90/77/495409077.db2.gz MVUPYHRCTLIEBZ-CZUORRHYSA-N 1 1 365.842 3.371 20 5 FGBDMO C[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000125347864 495430516 /nfs/dbraw/zinc/43/05/16/495430516.db2.gz SBPWYJYBQXBBQH-GFCCVEGCSA-N 1 1 351.834 3.337 20 5 FGBDMO Cn1cc([C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3C(F)(F)F)C2)cn1 ZINC000120681886 495433657 /nfs/dbraw/zinc/43/36/57/495433657.db2.gz UAPCOBHZMSFWRR-LLVKDONJSA-N 1 1 354.332 3.337 20 5 FGBDMO C[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 ZINC000137571600 495445648 /nfs/dbraw/zinc/44/56/48/495445648.db2.gz AEBDCPDQJQTNDI-CYBMUJFWSA-N 1 1 363.483 3.311 20 5 FGBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000115435697 495504394 /nfs/dbraw/zinc/50/43/94/495504394.db2.gz RUQPMAGYNVFBPW-CYBMUJFWSA-N 1 1 374.466 3.132 20 5 FGBDMO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000173504879 495562060 /nfs/dbraw/zinc/56/20/60/495562060.db2.gz XHESCUUABGUONZ-MRXNPFEDSA-N 1 1 353.422 3.331 20 5 FGBDMO C[C@@H](CCNC(=O)COc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccccc1 ZINC000173602838 495608802 /nfs/dbraw/zinc/60/88/02/495608802.db2.gz ZHFOCYKKBSCHTG-INIZCTEOSA-N 1 1 371.437 3.000 20 5 FGBDMO COc1ccc(C[N@H+]2CCC[C@@H](c3nncn3C(C)C)C2)cc1[N+](=O)[O-] ZINC000158982931 495630903 /nfs/dbraw/zinc/63/09/03/495630903.db2.gz IXSZZPSUHSAHON-OAHLLOKOSA-N 1 1 359.430 3.155 20 5 FGBDMO O=[N+]([O-])c1ccccc1N1CC[NH+](CC2=Cc3ccccc3OC2)CC1 ZINC000179590124 495652704 /nfs/dbraw/zinc/65/27/04/495652704.db2.gz JQHTUCZSYVGKII-UHFFFAOYSA-N 1 1 351.406 3.193 20 5 FGBDMO CCOc1ccccc1[C@@H](CC)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000179733374 495710601 /nfs/dbraw/zinc/71/06/01/495710601.db2.gz KPKLSLGXGLCVIV-MRXNPFEDSA-N 1 1 357.410 3.333 20 5 FGBDMO C[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccc(F)c1F ZINC000159461542 495736847 /nfs/dbraw/zinc/73/68/47/495736847.db2.gz SASYDLDNKRJMAB-ZBEGNZNMSA-N 1 1 361.348 3.329 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC000182879766 495738807 /nfs/dbraw/zinc/73/88/07/495738807.db2.gz NJQPQFISXYIZKO-UHFFFAOYSA-N 1 1 371.412 3.125 20 5 FGBDMO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000171139252 495739604 /nfs/dbraw/zinc/73/96/04/495739604.db2.gz MKUNSICFSYTZMD-KRWDZBQOSA-N 1 1 368.437 3.281 20 5 FGBDMO C[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000154830198 495741288 /nfs/dbraw/zinc/74/12/88/495741288.db2.gz FEKXPEIRKOXLKM-GFCCVEGCSA-N 1 1 351.834 3.337 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](Cc1ccco1)Cc1cccs1 ZINC000159701386 495790864 /nfs/dbraw/zinc/79/08/64/495790864.db2.gz KBZLUQQSJSMQHH-UHFFFAOYSA-N 1 1 359.407 3.113 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](Cc1ccco1)Cc1cccs1 ZINC000159701386 495790867 /nfs/dbraw/zinc/79/08/67/495790867.db2.gz KBZLUQQSJSMQHH-UHFFFAOYSA-N 1 1 359.407 3.113 20 5 FGBDMO CC(C)Oc1nc(N2CC[NH+](Cc3ccsc3)CC2)ccc1[N+](=O)[O-] ZINC000568901251 505804150 /nfs/dbraw/zinc/80/41/50/505804150.db2.gz RFNBHYMGQSVVJF-UHFFFAOYSA-N 1 1 362.455 3.161 20 5 FGBDMO CN(c1ncnc2sc([N+](=O)[O-])cc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000580667082 505809422 /nfs/dbraw/zinc/80/94/22/505809422.db2.gz KZZGUCDKJOEFNR-AWEZNQCLSA-N 1 1 369.450 3.310 20 5 FGBDMO COc1ccc(C[N@H+](C)Cc2cc(Br)cn2C)cc1[N+](=O)[O-] ZINC000151458933 495845851 /nfs/dbraw/zinc/84/58/51/495845851.db2.gz HVNYPKFTHUHOBR-UHFFFAOYSA-N 1 1 368.231 3.336 20 5 FGBDMO COc1ccc(C[N@@H+](C)Cc2cc(Br)cn2C)cc1[N+](=O)[O-] ZINC000151458933 495845853 /nfs/dbraw/zinc/84/58/53/495845853.db2.gz HVNYPKFTHUHOBR-UHFFFAOYSA-N 1 1 368.231 3.336 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000155128046 495846409 /nfs/dbraw/zinc/84/64/09/495846409.db2.gz ZAFVRXIXEGPKII-VBQJREDUSA-N 1 1 363.483 3.018 20 5 FGBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000174190617 495856373 /nfs/dbraw/zinc/85/63/73/495856373.db2.gz ZVQBCSXTKHPBNN-KRWDZBQOSA-N 1 1 360.458 3.001 20 5 FGBDMO CN(C)CC[N@@H+](C)CCCNC(=O)c1cc2ccccc2c2cccnc12 ZINC000568921503 505808329 /nfs/dbraw/zinc/80/83/29/505808329.db2.gz FWKZOZHUXHQPLO-UHFFFAOYSA-N 1 1 364.493 3.001 20 5 FGBDMO CN(CCCNC(=O)c1cc2ccccc2c2cccnc12)CC[NH+](C)C ZINC000568921503 505808331 /nfs/dbraw/zinc/80/83/31/505808331.db2.gz FWKZOZHUXHQPLO-UHFFFAOYSA-N 1 1 364.493 3.001 20 5 FGBDMO COc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180162175 495887123 /nfs/dbraw/zinc/88/71/23/495887123.db2.gz HXZYADFZRXQKOA-TXEJJXNPSA-N 1 1 356.369 3.479 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000183254057 495901448 /nfs/dbraw/zinc/90/14/48/495901448.db2.gz YXUGLGLLJMVIGT-UHFFFAOYSA-N 1 1 371.412 3.390 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000183254057 495901454 /nfs/dbraw/zinc/90/14/54/495901454.db2.gz YXUGLGLLJMVIGT-UHFFFAOYSA-N 1 1 371.412 3.390 20 5 FGBDMO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000177072088 495912516 /nfs/dbraw/zinc/91/25/16/495912516.db2.gz NUIBLZCOGDBJBU-CYBMUJFWSA-N 1 1 374.441 3.110 20 5 FGBDMO CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000177072088 495912520 /nfs/dbraw/zinc/91/25/20/495912520.db2.gz NUIBLZCOGDBJBU-CYBMUJFWSA-N 1 1 374.441 3.110 20 5 FGBDMO CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186295798 495932221 /nfs/dbraw/zinc/93/22/21/495932221.db2.gz SZAFZMPEAXPKJW-FQEVSTJZSA-N 1 1 367.449 3.260 20 5 FGBDMO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2c[nH]nc2-c2cccs2)CC1 ZINC000160430040 495961885 /nfs/dbraw/zinc/96/18/85/495961885.db2.gz JKFOAZIEUNNUHX-UHFFFAOYSA-N 1 1 369.450 3.369 20 5 FGBDMO C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000174466338 495971976 /nfs/dbraw/zinc/97/19/76/495971976.db2.gz AIZNQVAWZOUSHU-YOGCLGLASA-N 1 1 352.822 3.385 20 5 FGBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000151872843 495977163 /nfs/dbraw/zinc/97/71/63/495977163.db2.gz REAOORVXGYQTEH-QGZVFWFLSA-N 1 1 374.485 3.389 20 5 FGBDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)nc1 ZINC000174606038 496030415 /nfs/dbraw/zinc/03/04/15/496030415.db2.gz MOFHYOQLMDHAPV-MRXNPFEDSA-N 1 1 354.410 3.149 20 5 FGBDMO COC(=O)[C@H](C)[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccccc1 ZINC000152063624 496036581 /nfs/dbraw/zinc/03/65/81/496036581.db2.gz BVOLIZMOMGLPIB-ACJLOTCBSA-N 1 1 358.394 3.243 20 5 FGBDMO C[C@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000171862810 496066793 /nfs/dbraw/zinc/06/67/93/496066793.db2.gz RYRHWNMPPCTDGU-OAHLLOKOSA-N 1 1 353.422 3.000 20 5 FGBDMO C[C@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000171862810 496066799 /nfs/dbraw/zinc/06/67/99/496066799.db2.gz RYRHWNMPPCTDGU-OAHLLOKOSA-N 1 1 353.422 3.000 20 5 FGBDMO Cc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000174931468 496170108 /nfs/dbraw/zinc/17/01/08/496170108.db2.gz ARJFBYLZTVPMGO-GOSISDBHSA-N 1 1 367.449 3.497 20 5 FGBDMO C[C@@H](C[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1nccs1 ZINC000183945059 496171477 /nfs/dbraw/zinc/17/14/77/496171477.db2.gz KWXFLQSUORILNF-NSHDSACASA-N 1 1 359.411 3.337 20 5 FGBDMO C[C@@H](C[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1nccs1 ZINC000183945059 496171479 /nfs/dbraw/zinc/17/14/79/496171479.db2.gz KWXFLQSUORILNF-NSHDSACASA-N 1 1 359.411 3.337 20 5 FGBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000156256049 496199504 /nfs/dbraw/zinc/19/95/04/496199504.db2.gz NLDCEDWDJSPUDR-AWEZNQCLSA-N 1 1 356.426 3.089 20 5 FGBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000181137062 496283931 /nfs/dbraw/zinc/28/39/31/496283931.db2.gz VUNTUCRSBWEBLR-LBPRGKRZSA-N 1 1 371.384 3.046 20 5 FGBDMO C[C@@H]1C[C@@H](N(C)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000175202588 496290522 /nfs/dbraw/zinc/29/05/22/496290522.db2.gz ZGHFQOCKTBTNHB-QAPCUYQASA-N 1 1 362.474 3.042 20 5 FGBDMO C[C@@H](CCNC(=O)NCc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000175243533 496305755 /nfs/dbraw/zinc/30/57/55/496305755.db2.gz WDUMPNAJARPVGT-INIZCTEOSA-N 1 1 370.453 3.305 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000156718890 496318654 /nfs/dbraw/zinc/31/86/54/496318654.db2.gz NBIPCDJAMOZPHB-DYVFJYSZSA-N 1 1 373.840 3.499 20 5 FGBDMO COc1ccc(C[N@@H+]2CCC[C@H](CC(=O)OC(C)C)C2)cc1[N+](=O)[O-] ZINC000184444406 496385724 /nfs/dbraw/zinc/38/57/24/496385724.db2.gz BWMTZVHAAMCYAV-CQSZACIVSA-N 1 1 350.415 3.157 20 5 FGBDMO COc1ccc(C[N@H+]2CCC[C@H](CC(=O)OC(C)C)C2)cc1[N+](=O)[O-] ZINC000184444406 496385726 /nfs/dbraw/zinc/38/57/26/496385726.db2.gz BWMTZVHAAMCYAV-CQSZACIVSA-N 1 1 350.415 3.157 20 5 FGBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000187316813 496390919 /nfs/dbraw/zinc/39/09/19/496390919.db2.gz FFYSSJOZBIOTMB-LJQANCHMSA-N 1 1 370.453 3.185 20 5 FGBDMO Cn1cc[nH+]c1CC1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000162674569 496394920 /nfs/dbraw/zinc/39/49/20/496394920.db2.gz KTDKEXOKYOUBKC-UHFFFAOYSA-N 1 1 362.817 3.077 20 5 FGBDMO Cc1c([C@@H](C)[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])cnn1C ZINC000162765885 496409487 /nfs/dbraw/zinc/40/94/87/496409487.db2.gz HQZBASRYPKJHCD-SECBINFHSA-N 1 1 353.220 3.250 20 5 FGBDMO COc1ccc(C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000181509824 496426474 /nfs/dbraw/zinc/42/64/74/496426474.db2.gz WWZJJEPDROKKHE-QGZVFWFLSA-N 1 1 372.421 3.008 20 5 FGBDMO Cc1csc([C@H]([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000181600856 496464514 /nfs/dbraw/zinc/46/45/14/496464514.db2.gz GOIRUTQUVDIFTI-MRXNPFEDSA-N 1 1 360.439 3.063 20 5 FGBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000175622084 496469136 /nfs/dbraw/zinc/46/91/36/496469136.db2.gz KMCUAIRTPIMJNU-ZBFHGGJFSA-N 1 1 360.458 3.140 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000187609129 496508415 /nfs/dbraw/zinc/50/84/15/496508415.db2.gz JTKXNJZRGXGUMT-LJQANCHMSA-N 1 1 371.412 3.374 20 5 FGBDMO Cc1c(-c2cc(C[NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)on2)cnn1C ZINC000184733670 496511420 /nfs/dbraw/zinc/51/14/20/496511420.db2.gz UPJGRUDKKUYFSJ-LBPRGKRZSA-N 1 1 355.398 3.451 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCCn1cc[nH+]c1C ZINC000163577905 496534306 /nfs/dbraw/zinc/53/43/06/496534306.db2.gz NTOAANFZLSCMEQ-UHFFFAOYSA-N 1 1 362.455 3.374 20 5 FGBDMO Cc1cc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000153667170 496538055 /nfs/dbraw/zinc/53/80/55/496538055.db2.gz RWOLERZCECRBQO-KDOFPFPSSA-N 1 1 358.442 3.384 20 5 FGBDMO CCOCCC[N@H+]1CC[C@@H](Nc2ncc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000153784350 496579850 /nfs/dbraw/zinc/57/98/50/496579850.db2.gz JMHNOVILQNVMIW-TZMCWYRMSA-N 1 1 356.854 3.192 20 5 FGBDMO Cc1ccc(N2CCC(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)CC2)[nH+]c1 ZINC000157911270 496583192 /nfs/dbraw/zinc/58/31/92/496583192.db2.gz RBAGJNPNOYGONR-SOFGYWHQSA-N 1 1 366.421 3.097 20 5 FGBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000185019699 496625543 /nfs/dbraw/zinc/62/55/43/496625543.db2.gz QDBYYZXUVREFEQ-DOTOQJQBSA-N 1 1 359.426 3.176 20 5 FGBDMO CCC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[N@@H+]1Cc1ccccc1 ZINC000182059686 496653585 /nfs/dbraw/zinc/65/35/85/496653585.db2.gz DZWXCMPVGNUWFB-MRXNPFEDSA-N 1 1 357.410 3.315 20 5 FGBDMO CCC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[N@H+]1Cc1ccccc1 ZINC000182059686 496653589 /nfs/dbraw/zinc/65/35/89/496653589.db2.gz DZWXCMPVGNUWFB-MRXNPFEDSA-N 1 1 357.410 3.315 20 5 FGBDMO CCO[C@H]1C[C@H]([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C12CCC2 ZINC000154030016 496660098 /nfs/dbraw/zinc/66/00/98/496660098.db2.gz AKEAGCLPAWRCNG-IRXDYDNUSA-N 1 1 361.442 3.121 20 5 FGBDMO CCO[C@H]1C[C@H]([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C12CCC2 ZINC000154030016 496660102 /nfs/dbraw/zinc/66/01/02/496660102.db2.gz AKEAGCLPAWRCNG-IRXDYDNUSA-N 1 1 361.442 3.121 20 5 FGBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176055810 496663030 /nfs/dbraw/zinc/66/30/30/496663030.db2.gz BCUCXMMPJPODMM-GXTWGEPZSA-N 1 1 359.430 3.105 20 5 FGBDMO CCC(C)(C)[C@@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182233721 496715827 /nfs/dbraw/zinc/71/58/27/496715827.db2.gz WSDVERQNWSQDSR-INIZCTEOSA-N 1 1 354.472 3.269 20 5 FGBDMO CCC(C)(C)[C@@H]1CCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182233721 496715829 /nfs/dbraw/zinc/71/58/29/496715829.db2.gz WSDVERQNWSQDSR-INIZCTEOSA-N 1 1 354.472 3.269 20 5 FGBDMO CSc1cccc(C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000188246439 496722549 /nfs/dbraw/zinc/72/25/49/496722549.db2.gz KLGWUWOYPCKYGC-AWEZNQCLSA-N 1 1 365.499 3.415 20 5 FGBDMO C[N@@H+](CCc1ccncc1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000273452994 496810322 /nfs/dbraw/zinc/81/03/22/496810322.db2.gz ZJQJUTVACRUWLA-UHFFFAOYSA-N 1 1 350.216 3.427 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000268984222 496842170 /nfs/dbraw/zinc/84/21/70/496842170.db2.gz LCSVBLUNPGJLMB-AEFFLSMTSA-N 1 1 368.437 3.050 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(-c3ccccc3C[NH+]3CCOCC3)n2)c1 ZINC000277753418 496875702 /nfs/dbraw/zinc/87/57/02/496875702.db2.gz YVFNCTQWMNPJMI-UHFFFAOYSA-N 1 1 366.377 3.144 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@H](c4nccs4)C3)n2)cc1 ZINC000195340047 496894918 /nfs/dbraw/zinc/89/49/18/496894918.db2.gz ZWEHGUUXHLFXLO-ZDUSSCGKSA-N 1 1 371.422 3.481 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@H](c4nccs4)C3)n2)cc1 ZINC000195340047 496894924 /nfs/dbraw/zinc/89/49/24/496894924.db2.gz ZWEHGUUXHLFXLO-ZDUSSCGKSA-N 1 1 371.422 3.481 20 5 FGBDMO C[C@@H](c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)[NH+]1CCOCC1 ZINC000264422238 496897185 /nfs/dbraw/zinc/89/71/85/496897185.db2.gz IXXJSJKDHIWXEX-AWEZNQCLSA-N 1 1 355.394 3.240 20 5 FGBDMO Cc1[nH+]ccn1CCCN(C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000273829122 496923064 /nfs/dbraw/zinc/92/30/64/496923064.db2.gz HFQUZSOFTQCPDI-UHFFFAOYSA-N 1 1 362.405 3.065 20 5 FGBDMO Cc1cc(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)cc([N+](=O)[O-])c1 ZINC000195691743 496961028 /nfs/dbraw/zinc/96/10/28/496961028.db2.gz OJHHUBIDDPYFPT-UHFFFAOYSA-N 1 1 367.449 3.470 20 5 FGBDMO CC[C@H]1c2ccsc2CC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248374966 496987470 /nfs/dbraw/zinc/98/74/70/496987470.db2.gz VHMFLWOMNQMARV-HIFRSBDPSA-N 1 1 362.451 3.405 20 5 FGBDMO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000248457811 497018429 /nfs/dbraw/zinc/01/84/29/497018429.db2.gz UFDKXRBPICRMSF-OXJNMPFZSA-N 1 1 369.465 3.321 20 5 FGBDMO C[N@@H+]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000572064226 505880832 /nfs/dbraw/zinc/88/08/32/505880832.db2.gz PRHJCSTTWBWJCK-QGZVFWFLSA-N 1 1 358.373 3.255 20 5 FGBDMO C[N@H+]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000572064226 505880834 /nfs/dbraw/zinc/88/08/34/505880834.db2.gz PRHJCSTTWBWJCK-QGZVFWFLSA-N 1 1 358.373 3.255 20 5 FGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1N(C)C ZINC000572075228 505882313 /nfs/dbraw/zinc/88/23/13/505882313.db2.gz LIUXXCNFYFUZNO-AWEZNQCLSA-N 1 1 356.426 3.120 20 5 FGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1N(C)C ZINC000572075228 505882315 /nfs/dbraw/zinc/88/23/15/505882315.db2.gz LIUXXCNFYFUZNO-AWEZNQCLSA-N 1 1 356.426 3.120 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000278461247 497122940 /nfs/dbraw/zinc/12/29/40/497122940.db2.gz HIUSSHQDFVRCNU-GXTWGEPZSA-N 1 1 351.834 3.113 20 5 FGBDMO COc1cccc([C@H]2[C@@H](Nc3ncc([N+](=O)[O-])s3)CC[N@@H+]2C2CC2)c1 ZINC000192523975 497138825 /nfs/dbraw/zinc/13/88/25/497138825.db2.gz OLVAOHVQGBLCCB-HOCLYGCPSA-N 1 1 360.439 3.450 20 5 FGBDMO COc1cccc([C@H]2[C@@H](Nc3ncc([N+](=O)[O-])s3)CC[N@H+]2C2CC2)c1 ZINC000192523975 497138830 /nfs/dbraw/zinc/13/88/30/497138830.db2.gz OLVAOHVQGBLCCB-HOCLYGCPSA-N 1 1 360.439 3.450 20 5 FGBDMO COc1cccc([C@@H]2[C@H](Nc3ncc([N+](=O)[O-])s3)CC[N@@H+]2C2CC2)c1 ZINC000192523931 497139509 /nfs/dbraw/zinc/13/95/09/497139509.db2.gz OLVAOHVQGBLCCB-GDBMZVCRSA-N 1 1 360.439 3.450 20 5 FGBDMO COc1cccc([C@@H]2[C@H](Nc3ncc([N+](=O)[O-])s3)CC[N@H+]2C2CC2)c1 ZINC000192523931 497139515 /nfs/dbraw/zinc/13/95/15/497139515.db2.gz OLVAOHVQGBLCCB-GDBMZVCRSA-N 1 1 360.439 3.450 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CCC(c3[nH+]cc4n3CCCC4)CC2)c([N+](=O)[O-])c1 ZINC000278622079 497170206 /nfs/dbraw/zinc/17/02/06/497170206.db2.gz GNYOTMSKNPZZIC-UHFFFAOYSA-N 1 1 371.397 3.420 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000189784933 497244009 /nfs/dbraw/zinc/24/40/09/497244009.db2.gz ZIOYKOAABNCPCJ-ZWKOTPCHSA-N 1 1 354.410 3.470 20 5 FGBDMO C[C@@H](NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C1=CC[N@@H+](C)CC1 ZINC000278869112 497248092 /nfs/dbraw/zinc/24/80/92/497248092.db2.gz XUEPIYMIKCGWFO-CQSZACIVSA-N 1 1 361.445 3.474 20 5 FGBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275623138 497386052 /nfs/dbraw/zinc/38/60/52/497386052.db2.gz IPYKRHHFYSSRAU-XCLFUZPHSA-N 1 1 361.445 3.306 20 5 FGBDMO O=C1CCc2cc([N+](=O)[O-])c(NCC[N@@H+]3CCc4sccc4C3)cc2N1 ZINC000193521785 497402709 /nfs/dbraw/zinc/40/27/09/497402709.db2.gz RQYPTCFANWNWME-UHFFFAOYSA-N 1 1 372.450 3.011 20 5 FGBDMO O=C1CCc2cc([N+](=O)[O-])c(NCC[N@H+]3CCc4sccc4C3)cc2N1 ZINC000193521785 497402712 /nfs/dbraw/zinc/40/27/12/497402712.db2.gz RQYPTCFANWNWME-UHFFFAOYSA-N 1 1 372.450 3.011 20 5 FGBDMO COc1ccccc1[C@H](C)NC(=O)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271671896 497415637 /nfs/dbraw/zinc/41/56/37/497415637.db2.gz BBZBMRTYYJMPRU-KBPBESRZSA-N 1 1 357.410 3.131 20 5 FGBDMO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)C(F)F)cc1)c1ccccc1[N+](=O)[O-] ZINC000271709673 497425561 /nfs/dbraw/zinc/42/55/61/497425561.db2.gz ITZBHBSPMXLQSK-NSHDSACASA-N 1 1 370.377 3.442 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000275801088 497436199 /nfs/dbraw/zinc/43/61/99/497436199.db2.gz LBYSGRIQZHSQFP-GXTWGEPZSA-N 1 1 351.834 3.113 20 5 FGBDMO C[C@@H](c1nc2ccccc2o1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245530232 497441703 /nfs/dbraw/zinc/44/17/03/497441703.db2.gz CAUBCTHDLWBCEV-QWHCGFSZSA-N 1 1 353.382 3.378 20 5 FGBDMO C[C@@H](c1nc2ccccc2o1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245530232 497441708 /nfs/dbraw/zinc/44/17/08/497441708.db2.gz CAUBCTHDLWBCEV-QWHCGFSZSA-N 1 1 353.382 3.378 20 5 FGBDMO O=[N+]([O-])c1cc2c(ncnc2N2CC[NH+](Cc3cccc(F)c3)CC2)s1 ZINC000575068097 505914260 /nfs/dbraw/zinc/91/42/60/505914260.db2.gz UIRUZDAFLCNHTG-UHFFFAOYSA-N 1 1 373.413 3.061 20 5 FGBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000246129294 497631076 /nfs/dbraw/zinc/63/10/76/497631076.db2.gz QKTFNACYGSFYCM-HOTGVXAUSA-N 1 1 374.485 3.389 20 5 FGBDMO CC(C)C[C@H](CCO)C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272487800 497642856 /nfs/dbraw/zinc/64/28/56/497642856.db2.gz DGDRBMGRGMEREC-MAUKXSAKSA-N 1 1 360.458 3.052 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cnc(-c4ccco4)s3)C2)nc1 ZINC000194406971 497656093 /nfs/dbraw/zinc/65/60/93/497656093.db2.gz HYIHDCFWVIZQQQ-GFCCVEGCSA-N 1 1 371.422 3.393 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cnc(-c4ccco4)s3)C2)nc1 ZINC000194406971 497656097 /nfs/dbraw/zinc/65/60/97/497656097.db2.gz HYIHDCFWVIZQQQ-GFCCVEGCSA-N 1 1 371.422 3.393 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000246366082 497710043 /nfs/dbraw/zinc/71/00/43/497710043.db2.gz AFJVKPOGWDGVNL-JJRVBVJISA-N 1 1 363.483 3.018 20 5 FGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)cc1 ZINC000280304235 497713470 /nfs/dbraw/zinc/71/34/70/497713470.db2.gz PBPOATIIGBQAFF-AWEZNQCLSA-N 1 1 356.300 3.317 20 5 FGBDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246822357 497813969 /nfs/dbraw/zinc/81/39/69/497813969.db2.gz OVYMOQIYMJOSOK-SZVBFZGTSA-N 1 1 356.422 3.213 20 5 FGBDMO Cc1c[nH+]ccc1OC1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000578403716 505931306 /nfs/dbraw/zinc/93/13/06/505931306.db2.gz QWAIJXZDOMWSPE-UHFFFAOYSA-N 1 1 367.409 3.218 20 5 FGBDMO CCO[C@@H]1C[C@H]([NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C12CCC2 ZINC000295829002 497822773 /nfs/dbraw/zinc/82/27/73/497822773.db2.gz CHXVCFUQLSPKDT-LSDHHAIUSA-N 1 1 358.398 3.082 20 5 FGBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000280629803 497833556 /nfs/dbraw/zinc/83/35/56/497833556.db2.gz LQTKZBJAULKQKS-GFCCVEGCSA-N 1 1 371.840 3.166 20 5 FGBDMO CC1(C)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1c1cccnc1 ZINC000292007332 497835906 /nfs/dbraw/zinc/83/59/06/497835906.db2.gz YHEVGYSPUSYRSO-GOSISDBHSA-N 1 1 354.410 3.402 20 5 FGBDMO CC1(C)C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1c1cccnc1 ZINC000292007332 497835910 /nfs/dbraw/zinc/83/59/10/497835910.db2.gz YHEVGYSPUSYRSO-GOSISDBHSA-N 1 1 354.410 3.402 20 5 FGBDMO CC(C)(CCC(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)[N+](=O)[O-] ZINC000295908583 497850120 /nfs/dbraw/zinc/85/01/20/497850120.db2.gz DPEQNNOOLJLNFY-INIZCTEOSA-N 1 1 359.426 3.062 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000299575014 497853765 /nfs/dbraw/zinc/85/37/65/497853765.db2.gz HLWUGWYDHRTEGN-ZDUSSCGKSA-N 1 1 358.398 3.020 20 5 FGBDMO CC(=O)NCc1ccc([C@@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2C)o1 ZINC000364243441 497857837 /nfs/dbraw/zinc/85/78/37/497857837.db2.gz XDQUTGCIWQVYNQ-SFHVURJKSA-N 1 1 357.410 3.469 20 5 FGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000364260330 497866463 /nfs/dbraw/zinc/86/64/63/497866463.db2.gz JJWLPWWQBLDPAZ-UHFFFAOYSA-N 1 1 364.442 3.154 20 5 FGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOC2(CCOCC2)CC1 ZINC000364260330 497866469 /nfs/dbraw/zinc/86/64/69/497866469.db2.gz JJWLPWWQBLDPAZ-UHFFFAOYSA-N 1 1 364.442 3.154 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000295962869 497870130 /nfs/dbraw/zinc/87/01/30/497870130.db2.gz MUXYCLJTLXRBTM-MRXNPFEDSA-N 1 1 354.410 3.116 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000295962869 497870134 /nfs/dbraw/zinc/87/01/34/497870134.db2.gz MUXYCLJTLXRBTM-MRXNPFEDSA-N 1 1 354.410 3.116 20 5 FGBDMO Cc1ccc([C@@H](C)NC(=O)NCC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000364272919 497873356 /nfs/dbraw/zinc/87/33/56/497873356.db2.gz WIJGXVIJLNYQPA-ZBSSRIJBSA-N 1 1 360.458 3.136 20 5 FGBDMO Cc1c(NC(=O)CCN2CC[N@H+](C3CCC3)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000292104149 497879977 /nfs/dbraw/zinc/87/99/77/497879977.db2.gz GKDWQZMCBSYNEC-OAHLLOKOSA-N 1 1 374.485 3.038 20 5 FGBDMO C[C@]12CC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]1C2(Cl)Cl ZINC000284895764 497935208 /nfs/dbraw/zinc/93/52/08/497935208.db2.gz UOQCOJDXEAAKMT-HIFRSBDPSA-N 1 1 372.252 3.439 20 5 FGBDMO CCC[C@]1(CO)CC[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000288948154 497954861 /nfs/dbraw/zinc/95/48/61/497954861.db2.gz XFVKLBRQPYBMDC-UGSOOPFHSA-N 1 1 360.414 3.190 20 5 FGBDMO O=c1[nH]c(NC[C@H](c2ccco2)[NH+]2CCCC2)nc2ccc([N+](=O)[O-])cc12 ZINC000281009150 497985781 /nfs/dbraw/zinc/98/57/81/497985781.db2.gz QRYGVLFJTVWUOB-OAHLLOKOSA-N 1 1 369.381 3.086 20 5 FGBDMO CC(=O)N1CCC([N@H+](Cc2cncs2)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000292384528 497996040 /nfs/dbraw/zinc/99/60/40/497996040.db2.gz JYIZNTHETXWBBD-UHFFFAOYSA-N 1 1 374.466 3.064 20 5 FGBDMO CC(=O)N1CCC([N@@H+](Cc2cncs2)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000292384528 497996047 /nfs/dbraw/zinc/99/60/47/497996047.db2.gz JYIZNTHETXWBBD-UHFFFAOYSA-N 1 1 374.466 3.064 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)c1 ZINC000292469189 498027355 /nfs/dbraw/zinc/02/73/55/498027355.db2.gz UXLAOXLRKCHNCV-CYBMUJFWSA-N 1 1 363.483 3.263 20 5 FGBDMO Cc1ccc([C@@H](C)[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc1[N+](=O)[O-] ZINC000296469747 498056023 /nfs/dbraw/zinc/05/60/23/498056023.db2.gz NQXZKXCTOKWCMJ-HLLBOEOZSA-N 1 1 353.422 3.245 20 5 FGBDMO C[C@@]12CCC[N@H+]1C[C@@H](c1noc(-c3c[nH]c4ccc([N+](=O)[O-])cc43)n1)OC2 ZINC000350389553 498093240 /nfs/dbraw/zinc/09/32/40/498093240.db2.gz LJSXRANTTQYEBU-YJBOKZPZSA-N 1 1 369.381 3.052 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000364868764 498182350 /nfs/dbraw/zinc/18/23/50/498182350.db2.gz FNGOIOYICXFTAY-UHFFFAOYSA-N 1 1 373.319 3.214 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])c(C)n3)C2)cc(OC)c1 ZINC000301685231 498223357 /nfs/dbraw/zinc/22/33/57/498223357.db2.gz WRDQNNBQRJLOEW-OAHLLOKOSA-N 1 1 372.425 3.002 20 5 FGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292991085 498225100 /nfs/dbraw/zinc/22/51/00/498225100.db2.gz NZWHVHPPDVRIQV-IFXJQAMLSA-N 1 1 371.441 3.124 20 5 FGBDMO Cc1nn(C)c(N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000301732041 498243307 /nfs/dbraw/zinc/24/33/07/498243307.db2.gz YEFKUNBQVDWHBW-ROUUACIJSA-N 1 1 369.469 3.128 20 5 FGBDMO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285930583 498245201 /nfs/dbraw/zinc/24/52/01/498245201.db2.gz UFUCJSPXGNQKCD-NRFANRHFSA-N 1 1 365.433 3.333 20 5 FGBDMO CC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCOC(C)(C)C1 ZINC000289713734 498260211 /nfs/dbraw/zinc/26/02/11/498260211.db2.gz IAZHXECQUWYGKN-OAHLLOKOSA-N 1 1 350.415 3.241 20 5 FGBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C2)C1 ZINC000296948158 498263236 /nfs/dbraw/zinc/26/32/36/498263236.db2.gz VTEJQGSJNWLRGQ-OAHLLOKOSA-N 1 1 372.347 3.173 20 5 FGBDMO COC(=O)c1csc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000286248311 498338430 /nfs/dbraw/zinc/33/84/30/498338430.db2.gz UHFANYQREIOEGL-SNVBAGLBSA-N 1 1 350.396 3.302 20 5 FGBDMO Cc1cc(N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000301985451 498357215 /nfs/dbraw/zinc/35/72/15/498357215.db2.gz SXZFOFRLJNHMQX-HKUYNNGSSA-N 1 1 355.438 3.198 20 5 FGBDMO CC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCOC(C)(C)C1 ZINC000289970554 498376513 /nfs/dbraw/zinc/37/65/13/498376513.db2.gz XBARKSDRPKJIDM-HNNXBMFYSA-N 1 1 360.414 3.424 20 5 FGBDMO Cc1cc(N2CCC[C@H](CN3CCOCC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302184244 498432674 /nfs/dbraw/zinc/43/26/74/498432674.db2.gz OXBCGAWMJLUKTP-MRXNPFEDSA-N 1 1 370.453 3.000 20 5 FGBDMO Cn1cc(C[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000293880404 498520498 /nfs/dbraw/zinc/52/04/98/498520498.db2.gz DCGOLGLTPADUCI-WOJBJXKFSA-N 1 1 368.437 3.139 20 5 FGBDMO Cn1cc(C[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000293880404 498520503 /nfs/dbraw/zinc/52/05/03/498520503.db2.gz DCGOLGLTPADUCI-WOJBJXKFSA-N 1 1 368.437 3.139 20 5 FGBDMO C[C@H](NC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000297685153 498535907 /nfs/dbraw/zinc/53/59/07/498535907.db2.gz PYRMJYWDEDYFOG-GJZGRUSLSA-N 1 1 360.458 3.172 20 5 FGBDMO CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000575983078 506049510 /nfs/dbraw/zinc/04/95/10/506049510.db2.gz MPVOWIGYFOISGU-OAHLLOKOSA-N 1 1 366.464 3.227 20 5 FGBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000290435734 498552249 /nfs/dbraw/zinc/55/22/49/498552249.db2.gz AUAOGPFGLQADAK-GFCCVEGCSA-N 1 1 369.487 3.176 20 5 FGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)c2ccccc2OC(F)(F)F)cc1F ZINC000282574311 498566428 /nfs/dbraw/zinc/56/64/28/498566428.db2.gz VKKQIJQQYWXNRG-CYBMUJFWSA-N 1 1 374.290 3.456 20 5 FGBDMO COc1cc(NC[C@H]2CCC[N@@H+](Cc3cccnc3)C2)ccc1[N+](=O)[O-] ZINC000362907910 498577096 /nfs/dbraw/zinc/57/70/96/498577096.db2.gz XXAVFNNJNRQJBB-MRXNPFEDSA-N 1 1 356.426 3.323 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](Oc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000576035666 506061276 /nfs/dbraw/zinc/06/12/76/506061276.db2.gz UITDCFSWJSRXPA-RDJZCZTQSA-N 1 1 369.421 3.384 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H](Oc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000576035666 506061282 /nfs/dbraw/zinc/06/12/82/506061282.db2.gz UITDCFSWJSRXPA-RDJZCZTQSA-N 1 1 369.421 3.384 20 5 FGBDMO Cc1cccnc1NC(=O)[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000365766402 498632065 /nfs/dbraw/zinc/63/20/65/498632065.db2.gz VFHWPHDCSOGLRV-INIZCTEOSA-N 1 1 354.410 3.149 20 5 FGBDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)C2 ZINC000365970759 498717820 /nfs/dbraw/zinc/71/78/20/498717820.db2.gz RPABRYMWQFGTJJ-MRXNPFEDSA-N 1 1 356.426 3.099 20 5 FGBDMO C[C@@H]1C[C@H](N(C)C(=O)CCC(C)(C)[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000294797642 498809779 /nfs/dbraw/zinc/80/97/79/498809779.db2.gz BGNJFWXITVEHQT-SJLPKXTDSA-N 1 1 361.486 3.333 20 5 FGBDMO Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000363693634 498947024 /nfs/dbraw/zinc/94/70/24/498947024.db2.gz AQJFHXDMKOTMAR-WMLDXEAASA-N 1 1 364.833 3.070 20 5 FGBDMO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[C@@H]1C ZINC000333343758 498986491 /nfs/dbraw/zinc/98/64/91/498986491.db2.gz PRJYQYRSFNNAJT-GJZGRUSLSA-N 1 1 363.461 3.236 20 5 FGBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[C@@H]1C ZINC000333343758 498986497 /nfs/dbraw/zinc/98/64/97/498986497.db2.gz PRJYQYRSFNNAJT-GJZGRUSLSA-N 1 1 363.461 3.236 20 5 FGBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000364047830 499098614 /nfs/dbraw/zinc/09/86/14/499098614.db2.gz LIELLZMRJNYQCK-WELJNPPOSA-N 1 1 359.470 3.295 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000284480316 499114297 /nfs/dbraw/zinc/11/42/97/499114297.db2.gz TVFXKCLAPVOTKU-KBXCAEBGSA-N 1 1 373.453 3.082 20 5 FGBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@@H](Cc2nnc3ccccn32)C1 ZINC000364130980 499121172 /nfs/dbraw/zinc/12/11/72/499121172.db2.gz YKIKXTXEDKDLGS-AWEZNQCLSA-N 1 1 369.400 3.231 20 5 FGBDMO COCC[C@H]1CCCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000364167506 499126701 /nfs/dbraw/zinc/12/67/01/499126701.db2.gz JSNCGYYIICQGQH-CQSZACIVSA-N 1 1 350.415 3.100 20 5 FGBDMO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000367093513 499147660 /nfs/dbraw/zinc/14/76/60/499147660.db2.gz UJKAFBWRHKSUIK-HUUCEWRRSA-N 1 1 350.394 3.133 20 5 FGBDMO Cc1nc(CN(C)[C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3C)CC2)no1 ZINC000372571911 499147732 /nfs/dbraw/zinc/14/77/32/499147732.db2.gz IITTZOVYIMZGGA-QGZVFWFLSA-N 1 1 373.457 3.081 20 5 FGBDMO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](c1cccc(F)c1)c1ccccn1 ZINC000369995403 499163106 /nfs/dbraw/zinc/16/31/06/499163106.db2.gz KMBCLGAPSFCWLC-GOSISDBHSA-N 1 1 355.373 3.047 20 5 FGBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](c1cccc(F)c1)c1ccccn1 ZINC000369995403 499163108 /nfs/dbraw/zinc/16/31/08/499163108.db2.gz KMBCLGAPSFCWLC-GOSISDBHSA-N 1 1 355.373 3.047 20 5 FGBDMO Cc1cccc(NC2CCN(c3ncnc4sc([N+](=O)[O-])cc43)CC2)[nH+]1 ZINC000367339494 499184185 /nfs/dbraw/zinc/18/41/85/499184185.db2.gz MNFBKLJNDALCAA-UHFFFAOYSA-N 1 1 370.438 3.384 20 5 FGBDMO CC(=O)c1cc(N2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000367349707 499186536 /nfs/dbraw/zinc/18/65/36/499186536.db2.gz UOFQEOKVDMUFHK-HNNXBMFYSA-N 1 1 357.454 3.498 20 5 FGBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000367729156 499229038 /nfs/dbraw/zinc/22/90/38/499229038.db2.gz ONCXTYGSOHVXAU-IFXJQAMLSA-N 1 1 371.441 3.026 20 5 FGBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000367729156 499229039 /nfs/dbraw/zinc/22/90/39/499229039.db2.gz ONCXTYGSOHVXAU-IFXJQAMLSA-N 1 1 371.441 3.026 20 5 FGBDMO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000367735710 499229501 /nfs/dbraw/zinc/22/95/01/499229501.db2.gz BXVHTBHIBHKDEY-XFKAJCMBSA-N 1 1 370.453 3.211 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000367752548 499230944 /nfs/dbraw/zinc/23/09/44/499230944.db2.gz XDHDPDZXJGBHRT-OAHLLOKOSA-N 1 1 363.483 3.406 20 5 FGBDMO CCCN1CC[NH+](C2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)CC1 ZINC000367913002 499244716 /nfs/dbraw/zinc/24/47/16/499244716.db2.gz XGXWGVDIZVMBTF-UHFFFAOYSA-N 1 1 366.893 3.245 20 5 FGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC([C@@H]2CCCOC2)CC1 ZINC000368003019 499254192 /nfs/dbraw/zinc/25/41/92/499254192.db2.gz VCGVFARUQLFTLA-GOEBONIOSA-N 1 1 361.442 3.060 20 5 FGBDMO Cc1c(CC(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2cccs2)cccc1[N+](=O)[O-] ZINC000370816136 499257889 /nfs/dbraw/zinc/25/78/89/499257889.db2.gz JEJMDMOHPQMEOP-DNVCBOLYSA-N 1 1 373.478 3.316 20 5 FGBDMO C[C@H](C(=O)N[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000368202014 499273786 /nfs/dbraw/zinc/27/37/86/499273786.db2.gz PDPSSRSTERWECO-IRWQIABSSA-N 1 1 371.412 3.051 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000371066485 499285412 /nfs/dbraw/zinc/28/54/12/499285412.db2.gz SCSCJCMDBVUXES-CJNGLKHVSA-N 1 1 372.425 3.454 20 5 FGBDMO CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000371129786 499291407 /nfs/dbraw/zinc/29/14/07/499291407.db2.gz OCQINKGIWJXMIY-AWEZNQCLSA-N 1 1 362.817 3.312 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(c2ccccn2)CC1 ZINC000371319365 499309581 /nfs/dbraw/zinc/30/95/81/499309581.db2.gz QKJBPJABNAFLMO-CQSZACIVSA-N 1 1 354.410 3.196 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC3(CCOCC3)[C@H]2C)cccc1[N+](=O)[O-] ZINC000368814482 499335415 /nfs/dbraw/zinc/33/54/15/499335415.db2.gz SITLRIINZOGJPU-HUUCEWRRSA-N 1 1 361.442 3.121 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC([C@H]4CCCOC4)CC3)n2)cc1 ZINC000371643308 499349890 /nfs/dbraw/zinc/34/98/90/499349890.db2.gz VTUYPHSYRHPPOU-INIZCTEOSA-N 1 1 372.425 3.283 20 5 FGBDMO O=C(CC[N@@H+]1CC=C(c2cncc(F)c2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000369267569 499385815 /nfs/dbraw/zinc/38/58/15/499385815.db2.gz QUNBAKHEELOLAU-UHFFFAOYSA-N 1 1 370.384 3.247 20 5 FGBDMO CCOCc1cc(C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)ccc1OC ZINC000372275894 499415695 /nfs/dbraw/zinc/41/56/95/499415695.db2.gz YNISSHMADOBJPW-KRWDZBQOSA-N 1 1 374.441 3.174 20 5 FGBDMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)[C@H]1c1cccs1 ZINC000369567327 499419487 /nfs/dbraw/zinc/41/94/87/499419487.db2.gz HOHQIZZCYAZXEI-ZBEGNZNMSA-N 1 1 363.414 3.218 20 5 FGBDMO C[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1c1cccs1 ZINC000369569397 499419872 /nfs/dbraw/zinc/41/98/72/499419872.db2.gz NRXGVFLFUSPCGX-QMTHXVAHSA-N 1 1 351.453 3.141 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1OC ZINC000369596605 499424575 /nfs/dbraw/zinc/42/45/75/499424575.db2.gz JQSVNNMYRKNXSN-ZMSDIMECSA-N 1 1 364.442 3.128 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)c1 ZINC000369656937 499432643 /nfs/dbraw/zinc/43/26/43/499432643.db2.gz MDQKZJRHSPRNRP-QGZVFWFLSA-N 1 1 366.377 3.218 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)c1 ZINC000369656937 499432646 /nfs/dbraw/zinc/43/26/46/499432646.db2.gz MDQKZJRHSPRNRP-QGZVFWFLSA-N 1 1 366.377 3.218 20 5 FGBDMO Cn1cc[nH+]c1[C@H]1CCCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000373060429 499449510 /nfs/dbraw/zinc/44/95/10/499449510.db2.gz TVZUSKPNBNCSJH-JTQLQIEISA-N 1 1 355.320 3.126 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000378264666 499496089 /nfs/dbraw/zinc/49/60/89/499496089.db2.gz XYBBTBMDNCZNOP-CYBMUJFWSA-N 1 1 364.833 3.273 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000378264666 499496091 /nfs/dbraw/zinc/49/60/91/499496091.db2.gz XYBBTBMDNCZNOP-CYBMUJFWSA-N 1 1 364.833 3.273 20 5 FGBDMO C[N@H+]1CC[C@H]2CCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@H]21 ZINC000378479313 499522396 /nfs/dbraw/zinc/52/23/96/499522396.db2.gz XDHMFURJYSGDEZ-SUMWQHHRSA-N 1 1 358.467 3.244 20 5 FGBDMO COc1ccc(C(=O)Nc2cccc3c2C[N@H+](C2CC2)C3)cc1[N+](=O)[O-] ZINC000378526773 499528184 /nfs/dbraw/zinc/52/81/84/499528184.db2.gz QYEYKBDUJPDTTJ-UHFFFAOYSA-N 1 1 353.378 3.334 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](c3ccccc3)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000375691103 499545862 /nfs/dbraw/zinc/54/58/62/499545862.db2.gz VUNTWRMRSLPHLQ-AEFFLSMTSA-N 1 1 371.393 3.101 20 5 FGBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000389063498 499552260 /nfs/dbraw/zinc/55/22/60/499552260.db2.gz SZVMYOJXNQAUES-YOEHRIQHSA-N 1 1 357.458 3.442 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@H](Cc3ccncc3)C2)cccc1[N+](=O)[O-] ZINC000375872393 499563739 /nfs/dbraw/zinc/56/37/39/499563739.db2.gz MZFOWJSFFHXQFC-QGZVFWFLSA-N 1 1 368.437 3.191 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000397992355 499565387 /nfs/dbraw/zinc/56/53/87/499565387.db2.gz QVKWGNRPDRJFDZ-PBHICJAKSA-N 1 1 368.437 3.016 20 5 FGBDMO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398121577 499567021 /nfs/dbraw/zinc/56/70/21/499567021.db2.gz HFOYKSPFXFIFKF-YOEHRIQHSA-N 1 1 357.458 3.442 20 5 FGBDMO O=[N+]([O-])c1c(N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)nc2sccn21 ZINC000409640659 499611157 /nfs/dbraw/zinc/61/11/57/499611157.db2.gz WKBFBFMGOSKVLO-GFCCVEGCSA-N 1 1 372.454 3.221 20 5 FGBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H]1C ZINC000410642986 499672208 /nfs/dbraw/zinc/67/22/08/499672208.db2.gz ZKAXQQIKIIUUNF-MNOVXSKESA-N 1 1 359.348 3.168 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCOC4(CCOCC4)CC3)co2)cc1 ZINC000377278652 499676422 /nfs/dbraw/zinc/67/64/22/499676422.db2.gz QUGQYKXACALQDL-UHFFFAOYSA-N 1 1 373.409 3.021 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCOC4(CCOCC4)CC3)co2)cc1 ZINC000377278652 499676423 /nfs/dbraw/zinc/67/64/23/499676423.db2.gz QUGQYKXACALQDL-UHFFFAOYSA-N 1 1 373.409 3.021 20 5 FGBDMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000411060904 499694161 /nfs/dbraw/zinc/69/41/61/499694161.db2.gz OVQCGANHIJJNLJ-GFCCVEGCSA-N 1 1 359.348 3.170 20 5 FGBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000411060904 499694162 /nfs/dbraw/zinc/69/41/62/499694162.db2.gz OVQCGANHIJJNLJ-GFCCVEGCSA-N 1 1 359.348 3.170 20 5 FGBDMO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411217510 499712570 /nfs/dbraw/zinc/71/25/70/499712570.db2.gz MERXBPXFUMMNJJ-DNVCBOLYSA-N 1 1 369.421 3.385 20 5 FGBDMO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411217510 499712571 /nfs/dbraw/zinc/71/25/71/499712571.db2.gz MERXBPXFUMMNJJ-DNVCBOLYSA-N 1 1 369.421 3.385 20 5 FGBDMO O=[N+]([O-])c1cnc(NC[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)c(Cl)c1 ZINC000377800877 499735993 /nfs/dbraw/zinc/73/59/93/499735993.db2.gz OIEOFINQFCOVEN-AWEZNQCLSA-N 1 1 361.833 3.362 20 5 FGBDMO CC[C@H](CSC)[N@@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411451838 499742212 /nfs/dbraw/zinc/74/22/12/499742212.db2.gz VPNPAHYFMGAPTB-GFCCVEGCSA-N 1 1 355.460 3.005 20 5 FGBDMO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(C(F)(F)F)c1 ZINC000413194187 499925264 /nfs/dbraw/zinc/92/52/64/499925264.db2.gz BIJRZBCIBYWWJZ-IAQYHMDHSA-N 1 1 370.375 3.462 20 5 FGBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000416237245 499989984 /nfs/dbraw/zinc/98/99/84/499989984.db2.gz BMKCTHNMKOBRIS-UHFFFAOYSA-N 1 1 367.449 3.044 20 5 FGBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])Cc2ccccc2O1 ZINC000429140197 500011844 /nfs/dbraw/zinc/01/18/44/500011844.db2.gz IMTDAUXWEXJVMG-AWEZNQCLSA-N 1 1 355.394 3.207 20 5 FGBDMO CCc1ccc(CNC(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])s1 ZINC000429248437 500034262 /nfs/dbraw/zinc/03/42/62/500034262.db2.gz ZOWSVGRGMUZHMU-UHFFFAOYSA-N 1 1 361.467 3.360 20 5 FGBDMO CCO[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1(C)C ZINC000579438060 506173881 /nfs/dbraw/zinc/17/38/81/506173881.db2.gz ZRRGNTYHGREBLS-DLBZAZTESA-N 1 1 363.458 3.367 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@@H](n3ccnn3)C2)o1 ZINC000425345848 500080324 /nfs/dbraw/zinc/08/03/24/500080324.db2.gz FJHPHEVAEUHNMM-CQSZACIVSA-N 1 1 353.382 3.283 20 5 FGBDMO CC[N@@H+](Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1)[C@H](C)CO ZINC000430107669 500193554 /nfs/dbraw/zinc/19/35/54/500193554.db2.gz XOQQHEYDLIYHRV-OAHLLOKOSA-N 1 1 374.437 3.385 20 5 FGBDMO Cc1ccnc([C@@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)c1 ZINC000579489448 506187520 /nfs/dbraw/zinc/18/75/20/506187520.db2.gz UIYCPYHQBDMMPJ-CQSZACIVSA-N 1 1 355.394 3.154 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000579507454 506190588 /nfs/dbraw/zinc/19/05/88/506190588.db2.gz PWXWPNBBOKHQFH-CYBMUJFWSA-N 1 1 351.472 3.167 20 5 FGBDMO CC[NH+](CC)Cc1cccc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000427919663 500445504 /nfs/dbraw/zinc/44/55/04/500445504.db2.gz ZHMPVGMNDZKYMT-UHFFFAOYSA-N 1 1 357.410 3.072 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H](c3ccccc3)C2)c1 ZINC000433048637 500613843 /nfs/dbraw/zinc/61/38/43/500613843.db2.gz XWEFFYCLXNOCNN-HKUYNNGSSA-N 1 1 356.422 3.214 20 5 FGBDMO CC[C@H](Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2)c1cccc([N+](=O)[O-])c1 ZINC000433076248 500621536 /nfs/dbraw/zinc/62/15/36/500621536.db2.gz NDOACGVKYWGNNP-IBGZPJMESA-N 1 1 368.437 3.001 20 5 FGBDMO CC[C@H](Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2)c1cccc([N+](=O)[O-])c1 ZINC000433076248 500621538 /nfs/dbraw/zinc/62/15/38/500621538.db2.gz NDOACGVKYWGNNP-IBGZPJMESA-N 1 1 368.437 3.001 20 5 FGBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000447680262 500644588 /nfs/dbraw/zinc/64/45/88/500644588.db2.gz QJYBICWBOMTHJP-INIZCTEOSA-N 1 1 365.437 3.429 20 5 FGBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000437513804 500653056 /nfs/dbraw/zinc/65/30/56/500653056.db2.gz ICHCZSNYZSMYSD-GOSISDBHSA-N 1 1 356.422 3.307 20 5 FGBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437640820 500674361 /nfs/dbraw/zinc/67/43/61/500674361.db2.gz YZALWQHEBDQQGE-LJQANCHMSA-N 1 1 374.485 3.234 20 5 FGBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000437829157 500702060 /nfs/dbraw/zinc/70/20/60/500702060.db2.gz OEXQRQQKZYNYFI-MRXNPFEDSA-N 1 1 367.405 3.210 20 5 FGBDMO O=C(Cc1ccc([N+](=O)[O-])cc1F)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437834000 500703780 /nfs/dbraw/zinc/70/37/80/500703780.db2.gz MWWOWOKKCYPIFM-KRWDZBQOSA-N 1 1 363.433 3.190 20 5 FGBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC000448193798 500731409 /nfs/dbraw/zinc/73/14/09/500731409.db2.gz OLJKYNHSGOZJRG-AAEUAGOBSA-N 1 1 371.359 3.170 20 5 FGBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000448258567 500741529 /nfs/dbraw/zinc/74/15/29/500741529.db2.gz XBCCGRKTCNYGJJ-SFHVURJKSA-N 1 1 374.485 3.389 20 5 FGBDMO CC(C)c1n[nH]c(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000433979017 500775124 /nfs/dbraw/zinc/77/51/24/500775124.db2.gz AFXWEMGTHZWFHC-UKRRQHHQSA-N 1 1 371.441 3.007 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000448707518 500810582 /nfs/dbraw/zinc/81/05/82/500810582.db2.gz KDEZXQUEORBKCD-NSHDSACASA-N 1 1 359.348 3.218 20 5 FGBDMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000448923410 500870178 /nfs/dbraw/zinc/87/01/78/500870178.db2.gz FRZWQSVAENKYOF-LBPRGKRZSA-N 1 1 371.359 3.360 20 5 FGBDMO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444662134 500874485 /nfs/dbraw/zinc/87/44/85/500874485.db2.gz JADDADVJXFSABI-SGTLLEGYSA-N 1 1 352.394 3.295 20 5 FGBDMO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444662134 500874489 /nfs/dbraw/zinc/87/44/89/500874489.db2.gz JADDADVJXFSABI-SGTLLEGYSA-N 1 1 352.394 3.295 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+](CCO)[C@@H]3CCCc4ccccc43)nc2c1 ZINC000444664155 500874944 /nfs/dbraw/zinc/87/49/44/500874944.db2.gz PZTYENBOOVAVHI-LJQANCHMSA-N 1 1 366.421 3.343 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+](CCO)[C@@H]3CCCc4ccccc43)nc2c1 ZINC000444664155 500874949 /nfs/dbraw/zinc/87/49/49/500874949.db2.gz PZTYENBOOVAVHI-LJQANCHMSA-N 1 1 366.421 3.343 20 5 FGBDMO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc([S@@](C)=O)cc1 ZINC000444688692 500879213 /nfs/dbraw/zinc/87/92/13/500879213.db2.gz KEEOPPLXVICHMT-SSINHNECSA-N 1 1 358.423 3.059 20 5 FGBDMO Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)c(N2CCCC2)[nH+]1 ZINC000611582807 506222756 /nfs/dbraw/zinc/22/27/56/506222756.db2.gz JJBSYOLQBIIZNY-UHFFFAOYSA-N 1 1 354.410 3.137 20 5 FGBDMO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000434892570 500908380 /nfs/dbraw/zinc/90/83/80/500908380.db2.gz SRIRSVMOKQGLNI-HNAYVOBHSA-N 1 1 365.433 3.362 20 5 FGBDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000439692427 500926998 /nfs/dbraw/zinc/92/69/98/500926998.db2.gz PXAOPDCRQKUDGP-INIZCTEOSA-N 1 1 365.499 3.314 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000435386581 500965283 /nfs/dbraw/zinc/96/52/83/500965283.db2.gz XKLRYIUWBQZRNQ-AFAVFJNCSA-N 1 1 357.410 3.033 20 5 FGBDMO COc1ccc(-c2ccc(CN3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000435386581 500965287 /nfs/dbraw/zinc/96/52/87/500965287.db2.gz XKLRYIUWBQZRNQ-AFAVFJNCSA-N 1 1 357.410 3.033 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCCC[N@H+]1CC(C)C ZINC000440177940 500984520 /nfs/dbraw/zinc/98/45/20/500984520.db2.gz YFBAZYDBWBNVAE-OAHLLOKOSA-N 1 1 364.446 3.235 20 5 FGBDMO CC(C)(C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1)C(N)=O ZINC000449414575 500998159 /nfs/dbraw/zinc/99/81/59/500998159.db2.gz WLVKQYZTELOFBQ-GFCCVEGCSA-N 1 1 353.850 3.362 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)o1 ZINC000449437056 501003167 /nfs/dbraw/zinc/00/31/67/501003167.db2.gz YOVBHXXLZUPAIR-CLCXKQKWSA-N 1 1 372.421 3.217 20 5 FGBDMO COc1cc(C[NH2+]C[C@H](C)N(C)C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000449557755 501033182 /nfs/dbraw/zinc/03/31/82/501033182.db2.gz SWYFAPLFWQKAAO-HNNXBMFYSA-N 1 1 373.453 3.222 20 5 FGBDMO COC[C@]1(CO)CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000449699195 501064815 /nfs/dbraw/zinc/06/48/15/501064815.db2.gz PHOUHVQPWDMXJP-GOSISDBHSA-N 1 1 362.451 3.154 20 5 FGBDMO COC(=O)[C@H]1C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000449752487 501075465 /nfs/dbraw/zinc/07/54/65/501075465.db2.gz FWBBQEUSCGIHIU-ROUUACIJSA-N 1 1 354.406 3.292 20 5 FGBDMO COc1ccc(OCC[N@H+](C)Cc2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000441162741 501096971 /nfs/dbraw/zinc/09/69/71/501096971.db2.gz CPVZFEOWBKWZRX-UHFFFAOYSA-N 1 1 352.337 3.392 20 5 FGBDMO COc1ccc(OCC[N@@H+](C)Cc2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000441162741 501096973 /nfs/dbraw/zinc/09/69/73/501096973.db2.gz CPVZFEOWBKWZRX-UHFFFAOYSA-N 1 1 352.337 3.392 20 5 FGBDMO COC(=O)Cc1ccc(NC[C@H]2CCC[N@@H+](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC000450392395 501109518 /nfs/dbraw/zinc/10/95/18/501109518.db2.gz PMVZBDCAUWMLNE-MRXNPFEDSA-N 1 1 363.458 3.090 20 5 FGBDMO Cc1cccc(-c2n[nH]cc2C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000446835915 501170598 /nfs/dbraw/zinc/17/05/98/501170598.db2.gz QQXKVQAORCTGSL-UHFFFAOYSA-N 1 1 362.393 3.459 20 5 FGBDMO O=[N+]([O-])c1ccc2c(ccnc2NCC[N@H+]2CCc3sccc3C2)c1 ZINC000450270622 501222848 /nfs/dbraw/zinc/22/28/48/501222848.db2.gz SQZSPZCLUBEOAT-UHFFFAOYSA-N 1 1 354.435 3.097 20 5 FGBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H](CO)c1ccc(Cl)cc1 ZINC000451327628 501266193 /nfs/dbraw/zinc/26/61/93/501266193.db2.gz SNMAEODSWPOMCO-INIZCTEOSA-N 1 1 350.802 3.292 20 5 FGBDMO Cc1c(NC(=O)CCn2c[nH+]c3c2C[C@@H](C)[C@H](C)C3)cccc1[N+](=O)[O-] ZINC000451342319 501269994 /nfs/dbraw/zinc/26/99/94/501269994.db2.gz NQUARWSWCNEYFY-CHWSQXEVSA-N 1 1 356.426 3.499 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc([C@H]3CCC[N@H+]3C3CC3)n2)c2c1NCCC2 ZINC000453238614 501296840 /nfs/dbraw/zinc/29/68/40/501296840.db2.gz OOAJMFRAMMXRFG-OAHLLOKOSA-N 1 1 355.398 3.302 20 5 FGBDMO CCC[C@@H]([NH2+]Cc1nc(-c2ccccn2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000453360706 501319718 /nfs/dbraw/zinc/31/97/18/501319718.db2.gz PNHPKFVMYCCIPR-OAHLLOKOSA-N 1 1 352.398 3.406 20 5 FGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H](c3cccc(Br)c3)C2)n1 ZINC000451575682 501328693 /nfs/dbraw/zinc/32/86/93/501328693.db2.gz YHUWUIBWSYTVDV-ZDUSSCGKSA-N 1 1 365.231 3.043 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@@H]4C[C@@H](O)CC[C@@H]4C3)o2)c1 ZINC000451691322 501351875 /nfs/dbraw/zinc/35/18/75/501351875.db2.gz BWCHPZOVONCEDO-KYJSFNMBSA-N 1 1 371.437 3.275 20 5 FGBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000451812802 501377396 /nfs/dbraw/zinc/37/73/96/501377396.db2.gz PRYJBTNSRDGYCG-NSHDSACASA-N 1 1 361.364 3.464 20 5 FGBDMO CO[C@@H]1C[C@H]([N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C12CCC2 ZINC000451823643 501380425 /nfs/dbraw/zinc/38/04/25/501380425.db2.gz APIVHBBYRNLQFI-LSDHHAIUSA-N 1 1 358.398 3.034 20 5 FGBDMO CO[C@@H]1C[C@H]([N@@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C12CCC2 ZINC000451823643 501380426 /nfs/dbraw/zinc/38/04/26/501380426.db2.gz APIVHBBYRNLQFI-LSDHHAIUSA-N 1 1 358.398 3.034 20 5 FGBDMO C[N@H+](CCCn1ccnc1)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602661031 506249857 /nfs/dbraw/zinc/24/98/57/506249857.db2.gz BFWLVGVSHYBOSP-UHFFFAOYSA-N 1 1 359.249 3.137 20 5 FGBDMO C[N@@H+](CCCn1ccnc1)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602661031 506249863 /nfs/dbraw/zinc/24/98/63/506249863.db2.gz BFWLVGVSHYBOSP-UHFFFAOYSA-N 1 1 359.249 3.137 20 5 FGBDMO C[N@H+]1CCC[C@H](CCNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000458219991 501396288 /nfs/dbraw/zinc/39/62/88/501396288.db2.gz YFPQKLCERIZBFQ-LLVKDONJSA-N 1 1 359.348 3.075 20 5 FGBDMO Cc1cc(F)ccc1[C@@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000451971690 501411210 /nfs/dbraw/zinc/41/12/10/501411210.db2.gz NJVIJVDWMVVAIL-KRWDZBQOSA-N 1 1 357.385 3.478 20 5 FGBDMO Cc1cc(F)ccc1[C@@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000451971690 501411213 /nfs/dbraw/zinc/41/12/13/501411213.db2.gz NJVIJVDWMVVAIL-KRWDZBQOSA-N 1 1 357.385 3.478 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@@]3(CCSC3)C2)cccc1[N+](=O)[O-] ZINC000451987598 501414507 /nfs/dbraw/zinc/41/45/07/501414507.db2.gz YUMWHNYKVJEQAG-KBXCAEBGSA-N 1 1 363.483 3.449 20 5 FGBDMO CC(C)(C[NH+]1CCCC1)NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000452095473 501433889 /nfs/dbraw/zinc/43/38/89/501433889.db2.gz KXURTVKHLYZBEO-UHFFFAOYSA-N 1 1 358.442 3.256 20 5 FGBDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000456338645 501502854 /nfs/dbraw/zinc/50/28/54/501502854.db2.gz CJRWEZNACGPZHI-KBPBESRZSA-N 1 1 351.472 3.018 20 5 FGBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000456338645 501502856 /nfs/dbraw/zinc/50/28/56/501502856.db2.gz CJRWEZNACGPZHI-KBPBESRZSA-N 1 1 351.472 3.018 20 5 FGBDMO C[N@H+](Cc1ccccc1)CC1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596103887 506260731 /nfs/dbraw/zinc/26/07/31/506260731.db2.gz HQROYVXKFIUXLT-UHFFFAOYSA-N 1 1 356.426 3.044 20 5 FGBDMO CCOc1cc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)ccc1O ZINC000459286702 501625257 /nfs/dbraw/zinc/62/52/57/501625257.db2.gz HNBVPPUQKZHKHG-UHFFFAOYSA-N 1 1 357.410 3.021 20 5 FGBDMO C[N@H+]1CC[C@H](CNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000454816475 501636394 /nfs/dbraw/zinc/63/63/94/501636394.db2.gz ROZLFIKKGJKRTP-CQSZACIVSA-N 1 1 370.409 3.460 20 5 FGBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000457085460 501647465 /nfs/dbraw/zinc/64/74/65/501647465.db2.gz HKRVOZMINQAHMI-GFCCVEGCSA-N 1 1 359.348 3.168 20 5 FGBDMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454980636 501665976 /nfs/dbraw/zinc/66/59/76/501665976.db2.gz WDFRQUADTPEFOJ-WBVHZDCISA-N 1 1 362.474 3.213 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@](C)(C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1F ZINC000459554775 501675541 /nfs/dbraw/zinc/67/55/41/501675541.db2.gz AVUVVXPNZMDIHE-SFHVURJKSA-N 1 1 368.405 3.296 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@](C)(C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1F ZINC000459554775 501675543 /nfs/dbraw/zinc/67/55/43/501675543.db2.gz AVUVVXPNZMDIHE-SFHVURJKSA-N 1 1 368.405 3.296 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611709292 506267325 /nfs/dbraw/zinc/26/73/25/506267325.db2.gz SRPJNYQGRFAKSZ-HNNXBMFYSA-N 1 1 363.421 3.249 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000455100668 501687831 /nfs/dbraw/zinc/68/78/31/501687831.db2.gz XUCIUUYSHHZEAQ-JKSUJKDBSA-N 1 1 362.474 3.323 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000459657131 501694040 /nfs/dbraw/zinc/69/40/40/501694040.db2.gz FDSSIGXFFNMAFG-UHOFOFEASA-N 1 1 370.409 3.207 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000459657131 501694041 /nfs/dbraw/zinc/69/40/41/501694041.db2.gz FDSSIGXFFNMAFG-UHOFOFEASA-N 1 1 370.409 3.207 20 5 FGBDMO COc1ccc(C[NH2+][C@H]2c3sccc3OC(C)(C)[C@@H]2O)cc1[N+](=O)[O-] ZINC000459678705 501697878 /nfs/dbraw/zinc/69/78/78/501697878.db2.gz BLDUAFZVFUMQKG-GOEBONIOSA-N 1 1 364.423 3.028 20 5 FGBDMO C[C@H](Cc1cccc(F)c1)[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000459763827 501710733 /nfs/dbraw/zinc/71/07/33/501710733.db2.gz XHRGQYNQWMEWDJ-KDOFPFPSSA-N 1 1 362.401 3.037 20 5 FGBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467218175 501741027 /nfs/dbraw/zinc/74/10/27/501741027.db2.gz NWXQIFPFOYHEEG-CHWSQXEVSA-N 1 1 368.865 3.168 20 5 FGBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[N@H+]1CCCC[C@@H]1C ZINC000485192773 501751623 /nfs/dbraw/zinc/75/16/23/501751623.db2.gz BLIITVWCLORTOM-NWDGAFQWSA-N 1 1 371.384 3.189 20 5 FGBDMO CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460212231 501761417 /nfs/dbraw/zinc/76/14/17/501761417.db2.gz RZSFKNABSSWDOX-GDBMZVCRSA-N 1 1 372.473 3.182 20 5 FGBDMO CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460212236 501761861 /nfs/dbraw/zinc/76/18/61/501761861.db2.gz RZSFKNABSSWDOX-ZBFHGGJFSA-N 1 1 372.473 3.182 20 5 FGBDMO CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460291912 501782644 /nfs/dbraw/zinc/78/26/44/501782644.db2.gz VQPNRZCMTKMHHQ-RHSMWYFYSA-N 1 1 372.473 3.040 20 5 FGBDMO Cc1cc(N(C)S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc[nH+]1 ZINC000463846028 501837170 /nfs/dbraw/zinc/83/71/70/501837170.db2.gz BAIMUTLGRDYCEF-UHFFFAOYSA-N 1 1 355.803 3.085 20 5 FGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602738061 506280463 /nfs/dbraw/zinc/28/04/63/506280463.db2.gz IUOWMHXKNKUQIE-GXSJLCMTSA-N 1 1 372.265 3.216 20 5 FGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602738061 506280467 /nfs/dbraw/zinc/28/04/67/506280467.db2.gz IUOWMHXKNKUQIE-GXSJLCMTSA-N 1 1 372.265 3.216 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000478306754 501937254 /nfs/dbraw/zinc/93/72/54/501937254.db2.gz OAXADBFSRVWQAC-IBGZPJMESA-N 1 1 353.422 3.235 20 5 FGBDMO COC(=O)c1c(Cl)c(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000596157322 506285097 /nfs/dbraw/zinc/28/50/97/506285097.db2.gz YFFANKOTKYIOFO-ZJUUUORDSA-N 1 1 353.806 3.072 20 5 FGBDMO COc1c(C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000475114727 502064672 /nfs/dbraw/zinc/06/46/72/502064672.db2.gz YAVAIJIQKVPVJR-OKILXGFUSA-N 1 1 363.458 3.090 20 5 FGBDMO C[C@H]1C[C@H](CCNc2cc[nH]c(=O)c2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000596173644 506293456 /nfs/dbraw/zinc/29/34/56/506293456.db2.gz ZOVHUZJPJSZFPM-HOCLYGCPSA-N 1 1 356.426 3.408 20 5 FGBDMO CCCC[N@@H+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475220573 502103423 /nfs/dbraw/zinc/10/34/23/502103423.db2.gz RZZPNLCCVFCZQD-UHFFFAOYSA-N 1 1 362.352 3.467 20 5 FGBDMO CCCCOC1CC[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000464860529 502126209 /nfs/dbraw/zinc/12/62/09/502126209.db2.gz ROOFMZZYCPJWJW-UHFFFAOYSA-N 1 1 360.414 3.426 20 5 FGBDMO CCC[C@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000596185613 506297815 /nfs/dbraw/zinc/29/78/15/506297815.db2.gz OGQHOCNHACUZJL-INIZCTEOSA-N 1 1 356.426 3.186 20 5 FGBDMO C[C@@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000596188298 506299618 /nfs/dbraw/zinc/29/96/18/506299618.db2.gz VOBDUPGKHUPSQA-ZBFHGGJFSA-N 1 1 368.437 3.016 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000475584741 502219679 /nfs/dbraw/zinc/21/96/79/502219679.db2.gz TUFLMYLESDYBNA-KRWDZBQOSA-N 1 1 370.405 3.484 20 5 FGBDMO Cc1cc(N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461890918 502225837 /nfs/dbraw/zinc/22/58/37/502225837.db2.gz OSWBNNKSSHWZOC-QWHCGFSZSA-N 1 1 373.375 3.221 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CCCO)Cc1ccccc1 ZINC000486811948 502271681 /nfs/dbraw/zinc/27/16/81/502271681.db2.gz XFNVCSNREZGAQS-UHFFFAOYSA-N 1 1 371.437 3.116 20 5 FGBDMO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000472326525 502316243 /nfs/dbraw/zinc/31/62/43/502316243.db2.gz ZICOXDGRTDVXCE-KPFFTGBYSA-N 1 1 370.449 3.288 20 5 FGBDMO COc1c(C(=O)N2C[C@@H]3CCC[N@H+]3Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000483337853 502354348 /nfs/dbraw/zinc/35/43/48/502354348.db2.gz MFNVBVHUDDJMFB-HNNXBMFYSA-N 1 1 367.405 3.228 20 5 FGBDMO Cc1c(CNC(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)cccc1[N+](=O)[O-] ZINC000479740033 502362233 /nfs/dbraw/zinc/36/22/33/502362233.db2.gz CMYPIXSFJFKZRI-QGZVFWFLSA-N 1 1 362.474 3.213 20 5 FGBDMO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000483487845 502406601 /nfs/dbraw/zinc/40/66/01/502406601.db2.gz WZUIXDFABDDKGI-CQSZACIVSA-N 1 1 350.415 3.157 20 5 FGBDMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000483487845 502406606 /nfs/dbraw/zinc/40/66/06/502406606.db2.gz WZUIXDFABDDKGI-CQSZACIVSA-N 1 1 350.415 3.157 20 5 FGBDMO COc1ccc(NC(=O)CC[N@H+]2CCc3cc(C)ccc3C2)c([N+](=O)[O-])c1 ZINC000483982235 502539720 /nfs/dbraw/zinc/53/97/20/502539720.db2.gz GRTAVZLBOHRWJO-UHFFFAOYSA-N 1 1 369.421 3.299 20 5 FGBDMO C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000599105216 506323307 /nfs/dbraw/zinc/32/33/07/506323307.db2.gz WXSGSJOCMWKMJS-MDASCCDHSA-N 1 1 353.422 3.117 20 5 FGBDMO CCC[C@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000473507114 502614884 /nfs/dbraw/zinc/61/48/84/502614884.db2.gz JMCWRZHEFQTUCN-INIZCTEOSA-N 1 1 358.442 3.080 20 5 FGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000602842247 506324520 /nfs/dbraw/zinc/32/45/20/506324520.db2.gz RDHJZZLKBNCKTP-SNVBAGLBSA-N 1 1 362.821 3.322 20 5 FGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000602842247 506324524 /nfs/dbraw/zinc/32/45/24/506324524.db2.gz RDHJZZLKBNCKTP-SNVBAGLBSA-N 1 1 362.821 3.322 20 5 FGBDMO CNc1c(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000462936678 502632630 /nfs/dbraw/zinc/63/26/30/502632630.db2.gz SBKZZSSVBHJDMK-HOCLYGCPSA-N 1 1 368.437 3.202 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000470145789 502678352 /nfs/dbraw/zinc/67/83/52/502678352.db2.gz ZBKLGHSOWWQOJD-SJORKVTESA-N 1 1 358.373 3.301 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000477143442 502690869 /nfs/dbraw/zinc/69/08/69/502690869.db2.gz XFBPPFKKWBOCEH-HNNXBMFYSA-N 1 1 374.485 3.175 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000470170094 502691809 /nfs/dbraw/zinc/69/18/09/502691809.db2.gz OKCJKRWLRGUYOZ-WPNIOXTASA-N 1 1 359.470 3.042 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](CCC(N)=O)Cc1ccccc1 ZINC000470177017 502696152 /nfs/dbraw/zinc/69/61/52/502696152.db2.gz OHNAEHUKVQNQRG-FOWTUZBSSA-N 1 1 353.422 3.376 20 5 FGBDMO CCC[C@@H]1CN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC[N@H+]1CCOC ZINC000470180479 502697551 /nfs/dbraw/zinc/69/75/51/502697551.db2.gz NXGVJWLFONSEJU-XMJIKXADSA-N 1 1 361.486 3.431 20 5 FGBDMO CC(C)(C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000484696795 502711506 /nfs/dbraw/zinc/71/15/06/502711506.db2.gz SEOUWEBOIIOWOT-CRAIPNDOSA-N 1 1 371.481 3.348 20 5 FGBDMO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000488472974 502724557 /nfs/dbraw/zinc/72/45/57/502724557.db2.gz VTVQQRAVYDOLBU-RWMBFGLXSA-N 1 1 374.445 3.294 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000488479945 502726625 /nfs/dbraw/zinc/72/66/25/502726625.db2.gz NUZFAMYNRIRFBP-LIRRHRJNSA-N 1 1 371.412 3.374 20 5 FGBDMO CC[C@@H]1Cc2ccccc2C[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000466933441 502732244 /nfs/dbraw/zinc/73/22/44/502732244.db2.gz ISQXUNICRWHFOU-QGZVFWFLSA-N 1 1 353.422 3.395 20 5 FGBDMO CC[C@@H]1Cc2ccccc2C[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000466933441 502732249 /nfs/dbraw/zinc/73/22/49/502732249.db2.gz ISQXUNICRWHFOU-QGZVFWFLSA-N 1 1 353.422 3.395 20 5 FGBDMO CC[N@@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])CCc1ccccc1 ZINC000488513270 502738147 /nfs/dbraw/zinc/73/81/47/502738147.db2.gz KFJDDESXLHWQAN-UHFFFAOYSA-N 1 1 371.437 3.497 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000481148688 502765865 /nfs/dbraw/zinc/76/58/65/502765865.db2.gz WIHOMNXCQFYYPH-AWEZNQCLSA-N 1 1 358.394 3.340 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@H](CO)[C@@H]2C)cc1OC ZINC000488750399 502802407 /nfs/dbraw/zinc/80/24/07/502802407.db2.gz UDOROZLIKJYNRJ-SOUVJXGZSA-N 1 1 366.458 3.231 20 5 FGBDMO C[S@](=O)Cc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000513105887 502853244 /nfs/dbraw/zinc/85/32/44/502853244.db2.gz CYQGOUPYDNRSOF-QHCPKHFHSA-N 1 1 352.843 3.417 20 5 FGBDMO CCc1ccc([C@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)cc1 ZINC000513391927 502924312 /nfs/dbraw/zinc/92/43/12/502924312.db2.gz HVBICBDBOTVLOC-SFHVURJKSA-N 1 1 355.438 3.199 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@H](C)C[C@H]2c2cccnc2)c1 ZINC000593023957 506342496 /nfs/dbraw/zinc/34/24/96/506342496.db2.gz IBSFBSQBEBDAFZ-ACJLOTCBSA-N 1 1 355.394 3.360 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H](C)C[C@H]2c2cccnc2)c1 ZINC000593023957 506342503 /nfs/dbraw/zinc/34/25/03/506342503.db2.gz IBSFBSQBEBDAFZ-ACJLOTCBSA-N 1 1 355.394 3.360 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000505684813 502965781 /nfs/dbraw/zinc/96/57/81/502965781.db2.gz ZVMIXZQNWPSKLR-XLIONFOSSA-N 1 1 359.470 3.108 20 5 FGBDMO CCC[C@]1(COC)CCC[N@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593027482 506344566 /nfs/dbraw/zinc/34/45/66/506344566.db2.gz RFBBJPAWYWLKNV-GOSISDBHSA-N 1 1 350.415 3.163 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000505778222 502984315 /nfs/dbraw/zinc/98/43/15/502984315.db2.gz RUXYGYIIFMEOSD-CYBMUJFWSA-N 1 1 363.483 3.311 20 5 FGBDMO CCCC[N@H+]1CCCC[C@H]1CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000497558250 502987592 /nfs/dbraw/zinc/98/75/92/502987592.db2.gz MJTNDOSVBBIIQO-AWEZNQCLSA-N 1 1 369.487 3.065 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505832226 502994880 /nfs/dbraw/zinc/99/48/80/502994880.db2.gz LSUSFYZPWWPSEC-MRXNPFEDSA-N 1 1 369.421 3.243 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505832226 502994884 /nfs/dbraw/zinc/99/48/84/502994884.db2.gz LSUSFYZPWWPSEC-MRXNPFEDSA-N 1 1 369.421 3.243 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC(c3ccc(F)cn3)CC2)c1 ZINC000602906718 506346102 /nfs/dbraw/zinc/34/61/02/506346102.db2.gz ZRGJWQKXWQIJPS-UHFFFAOYSA-N 1 1 373.384 3.295 20 5 FGBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000599149695 506347060 /nfs/dbraw/zinc/34/70/60/506347060.db2.gz UFBUFBGJKOWQLT-GOSISDBHSA-N 1 1 374.485 3.186 20 5 FGBDMO Cc1noc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000602919017 506351716 /nfs/dbraw/zinc/35/17/16/506351716.db2.gz ZICLXPOWMCPSQT-DOMZBBRYSA-N 1 1 355.753 3.304 20 5 FGBDMO Cc1ccccc1C[C@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000514184201 503107016 /nfs/dbraw/zinc/10/70/16/503107016.db2.gz RIRCCDICQRFPMJ-GOSISDBHSA-N 1 1 353.422 3.209 20 5 FGBDMO COC(=O)c1c(Cl)c(NC[C@@H]2CC[N@H+]2C2CCCC2)ccc1[N+](=O)[O-] ZINC000599163648 506354341 /nfs/dbraw/zinc/35/43/41/506354341.db2.gz GIVFRKAMJNCZQK-LBPRGKRZSA-N 1 1 367.833 3.464 20 5 FGBDMO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000510781402 503192290 /nfs/dbraw/zinc/19/22/90/503192290.db2.gz UTMUICSOEVJXAN-KRWDZBQOSA-N 1 1 356.369 3.284 20 5 FGBDMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000510781402 503192293 /nfs/dbraw/zinc/19/22/93/503192293.db2.gz UTMUICSOEVJXAN-KRWDZBQOSA-N 1 1 356.369 3.284 20 5 FGBDMO COc1ccccc1-c1ncc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000490563144 503196042 /nfs/dbraw/zinc/19/60/42/503196042.db2.gz ZYOHTCYWHQRGOA-UHFFFAOYSA-N 1 1 350.378 3.350 20 5 FGBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1C ZINC000498548620 503206118 /nfs/dbraw/zinc/20/61/18/503206118.db2.gz BTGASIUUQUMWSB-QWHCGFSZSA-N 1 1 374.466 3.273 20 5 FGBDMO CNC(=O)c1ccc(N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000506994604 503208748 /nfs/dbraw/zinc/20/87/48/503208748.db2.gz JSEHYOYOEOFKHF-WMLDXEAASA-N 1 1 368.437 3.202 20 5 FGBDMO Cc1c([C@@H](C)[NH2+]Cc2cc(S(C)(=O)=O)ccc2F)cccc1[N+](=O)[O-] ZINC000502560853 503226169 /nfs/dbraw/zinc/22/61/69/503226169.db2.gz AKOAXVAIHWZWCV-GFCCVEGCSA-N 1 1 366.414 3.297 20 5 FGBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])[C@@H]1CCN(c2ccccc2F)C1=O ZINC000511094723 503252509 /nfs/dbraw/zinc/25/25/09/503252509.db2.gz TYRUBUUBAHYZAM-GOSISDBHSA-N 1 1 357.385 3.014 20 5 FGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])[C@@H]1CCN(c2ccccc2F)C1=O ZINC000511094723 503252514 /nfs/dbraw/zinc/25/25/14/503252514.db2.gz TYRUBUUBAHYZAM-GOSISDBHSA-N 1 1 357.385 3.014 20 5 FGBDMO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511097752 503253820 /nfs/dbraw/zinc/25/38/20/503253820.db2.gz WTYXRSRGCMPUFS-GFCCVEGCSA-N 1 1 363.364 3.375 20 5 FGBDMO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511097752 503253825 /nfs/dbraw/zinc/25/38/25/503253825.db2.gz WTYXRSRGCMPUFS-GFCCVEGCSA-N 1 1 363.364 3.375 20 5 FGBDMO C[C@@H]1C[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000507279934 503267851 /nfs/dbraw/zinc/26/78/51/503267851.db2.gz KQQPFPTZTGYTCD-RHSMWYFYSA-N 1 1 369.421 3.083 20 5 FGBDMO C[C@@H]1C[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000507279934 503267853 /nfs/dbraw/zinc/26/78/53/503267853.db2.gz KQQPFPTZTGYTCD-RHSMWYFYSA-N 1 1 369.421 3.083 20 5 FGBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000511599189 503352123 /nfs/dbraw/zinc/35/21/23/503352123.db2.gz NHSYQNOIXVKVRJ-SFHVURJKSA-N 1 1 374.485 3.043 20 5 FGBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000511699965 503372659 /nfs/dbraw/zinc/37/26/59/503372659.db2.gz BOCUVGBYPMMBLU-MRXNPFEDSA-N 1 1 357.410 3.218 20 5 FGBDMO CCOc1cc(C[N@H+](C)[C@@H](CO)c2ccc(OC)cc2)ccc1[N+](=O)[O-] ZINC000492792664 503384940 /nfs/dbraw/zinc/38/49/40/503384940.db2.gz SWDCNJPIJAPGPK-SFHVURJKSA-N 1 1 360.410 3.168 20 5 FGBDMO CCOc1cc(C[N@@H+](C)[C@@H](CO)c2ccc(OC)cc2)ccc1[N+](=O)[O-] ZINC000492792664 503384945 /nfs/dbraw/zinc/38/49/45/503384945.db2.gz SWDCNJPIJAPGPK-SFHVURJKSA-N 1 1 360.410 3.168 20 5 FGBDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000499452303 503408354 /nfs/dbraw/zinc/40/83/54/503408354.db2.gz BVHVUHXDELBEQZ-LSDHHAIUSA-N 1 1 371.412 3.469 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000499452303 503408356 /nfs/dbraw/zinc/40/83/56/503408356.db2.gz BVHVUHXDELBEQZ-LSDHHAIUSA-N 1 1 371.412 3.469 20 5 FGBDMO O=[N+]([O-])c1cc(CN2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)cs1 ZINC000593068464 506371729 /nfs/dbraw/zinc/37/17/29/506371729.db2.gz OMYFOWOYHQJHDR-ZWKOTPCHSA-N 1 1 373.478 3.132 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000508651409 503537724 /nfs/dbraw/zinc/53/77/24/503537724.db2.gz NFIGXOZWPDHZOW-UHFFFAOYSA-N 1 1 369.421 3.257 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000508651409 503537727 /nfs/dbraw/zinc/53/77/27/503537727.db2.gz NFIGXOZWPDHZOW-UHFFFAOYSA-N 1 1 369.421 3.257 20 5 FGBDMO CC(C)[N@@H+](C)Cc1ccccc1CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000509055893 503631665 /nfs/dbraw/zinc/63/16/65/503631665.db2.gz YXSQUNSWAGDQCL-UHFFFAOYSA-N 1 1 365.437 3.412 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000512834802 503642469 /nfs/dbraw/zinc/64/24/69/503642469.db2.gz UALOZWJVHRBWBP-MNOVXSKESA-N 1 1 368.340 3.267 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](COC(F)F)C1 ZINC000512834802 503642471 /nfs/dbraw/zinc/64/24/71/503642471.db2.gz UALOZWJVHRBWBP-MNOVXSKESA-N 1 1 368.340 3.267 20 5 FGBDMO COc1ccc2oc(C[NH+]3CCN(c4ccc([N+](=O)[O-])nc4)CC3)cc2c1 ZINC000536638060 503654742 /nfs/dbraw/zinc/65/47/42/503654742.db2.gz XXUJUCOICSZREV-UHFFFAOYSA-N 1 1 368.393 3.067 20 5 FGBDMO COCCn1cc2c(n1)[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)CCC2 ZINC000546228392 503680069 /nfs/dbraw/zinc/68/00/69/503680069.db2.gz NCJMMCDWZBOESL-KDOFPFPSSA-N 1 1 358.442 3.474 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](Cc1ccccc1)[C@@H](C)CCO ZINC000536743979 503709389 /nfs/dbraw/zinc/70/93/89/503709389.db2.gz AWDTWACJTSWTBH-INIZCTEOSA-N 1 1 371.437 3.115 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](Cc1ccccc1)[C@@H](C)CCO ZINC000536743979 503709390 /nfs/dbraw/zinc/70/93/90/503709390.db2.gz AWDTWACJTSWTBH-INIZCTEOSA-N 1 1 371.437 3.115 20 5 FGBDMO CCc1ccc([C@H]([NH2+][C@@H](C)C[S@](C)=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543418590 503762396 /nfs/dbraw/zinc/76/23/96/503762396.db2.gz IVNQHCWQGJASAV-FPWDIPAHSA-N 1 1 350.440 3.196 20 5 FGBDMO CC[N@@H+](CCc1cccs1)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000533260762 503782281 /nfs/dbraw/zinc/78/22/81/503782281.db2.gz TVPVTJHIRFAZSZ-UHFFFAOYSA-N 1 1 363.439 3.168 20 5 FGBDMO C[C@@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1=O)c1ccccc1[N+](=O)[O-] ZINC000537176370 503828298 /nfs/dbraw/zinc/82/82/98/503828298.db2.gz DSBORDDIMIILAS-IAQYHMDHSA-N 1 1 361.348 3.329 20 5 FGBDMO Cc1ccccc1[C@H]1CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000533401475 503831624 /nfs/dbraw/zinc/83/16/24/503831624.db2.gz QXKMOYJKVJEJCB-OXJNMPFZSA-N 1 1 365.433 3.498 20 5 FGBDMO C[N@@H+](CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F)Cc1ccc(F)cc1 ZINC000543641707 503838460 /nfs/dbraw/zinc/83/84/60/503838460.db2.gz KQXNGCLIXLHJAJ-UHFFFAOYSA-N 1 1 364.352 3.127 20 5 FGBDMO CCO[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1(C)C ZINC000533429884 503843304 /nfs/dbraw/zinc/84/33/04/503843304.db2.gz UQITYRHMECJVQX-IRXDYDNUSA-N 1 1 363.458 3.367 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+](C)CC(C)(C)O)cc1OC ZINC000541059057 503990579 /nfs/dbraw/zinc/99/05/79/503990579.db2.gz BSQDCUMASQJFRV-ZDUSSCGKSA-N 1 1 354.447 3.231 20 5 FGBDMO CC(C)C[N@H+](Cc1ccccc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000544059963 503990926 /nfs/dbraw/zinc/99/09/26/503990926.db2.gz MWFUMPBCORVBEI-SFHVURJKSA-N 1 1 358.438 3.493 20 5 FGBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000518712756 504047013 /nfs/dbraw/zinc/04/70/13/504047013.db2.gz AHZIVXLKCAPVAD-GOSISDBHSA-N 1 1 362.474 3.091 20 5 FGBDMO C[C@@]1(c2ccccc2)CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000541349762 504101231 /nfs/dbraw/zinc/10/12/31/504101231.db2.gz RRICPOUNFMIOFT-GHTZIAJQSA-N 1 1 370.449 3.388 20 5 FGBDMO O=[N+]([O-])c1ccc(OCC[N@@H+](Cc2ccccc2)[C@H](CO)C2CC2)cc1 ZINC000534356678 504120317 /nfs/dbraw/zinc/12/03/17/504120317.db2.gz PESBRMXLBIXJQK-HXUWFJFHSA-N 1 1 356.422 3.247 20 5 FGBDMO Cc1c(Br)c(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)ncc1[N+](=O)[O-] ZINC000544408911 504122873 /nfs/dbraw/zinc/12/28/73/504122873.db2.gz XIXQXESYTMNVLD-SNVBAGLBSA-N 1 1 366.219 3.168 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000544421580 504127137 /nfs/dbraw/zinc/12/71/37/504127137.db2.gz LOQTUHLHNMDPPP-CVEARBPZSA-N 1 1 374.485 3.084 20 5 FGBDMO CCc1ccc([C@H]([NH2+][C@H]2CCC[C@@H]2C(=O)NC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541566623 504179017 /nfs/dbraw/zinc/17/90/17/504179017.db2.gz WIZGDESNMAVERW-JENIJYKNSA-N 1 1 371.437 3.344 20 5 FGBDMO C[N@@H+](Cc1ccccc1NC(=O)c1c[nH]nc1[N+](=O)[O-])C1CCCCC1 ZINC000547753605 504211690 /nfs/dbraw/zinc/21/16/90/504211690.db2.gz QZZAROIMPFFUGU-UHFFFAOYSA-N 1 1 357.414 3.335 20 5 FGBDMO COc1ccc(NC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000542030467 504342089 /nfs/dbraw/zinc/34/20/89/504342089.db2.gz BHZLJPXURUNRBW-AWEZNQCLSA-N 1 1 372.425 3.245 20 5 FGBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+](CC2CC2)C2CCCCC2)cc1 ZINC000542278855 504436212 /nfs/dbraw/zinc/43/62/12/504436212.db2.gz SPDJICCOTLTWBU-UHFFFAOYSA-N 1 1 366.483 3.413 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+]3C[C@@H]4CC[C@@H](O)[C@@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000542484755 504509185 /nfs/dbraw/zinc/50/91/85/504509185.db2.gz STMJICOQFOOLHP-BJOOFOGMSA-N 1 1 358.394 3.066 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+]3CCC[C@@H]([C@@H](C)O)C3)o2)c([N+](=O)[O-])c1 ZINC000542820198 504624204 /nfs/dbraw/zinc/62/42/04/504624204.db2.gz MUYXKOVDFJEVEW-ZIAGYGMSSA-N 1 1 360.410 3.456 20 5 FGBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000548934896 504626225 /nfs/dbraw/zinc/62/62/25/504626225.db2.gz WFALIIJJAVPQPB-MJGOQNOKSA-N 1 1 359.470 3.250 20 5 FGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000548934896 504626229 /nfs/dbraw/zinc/62/62/29/504626229.db2.gz WFALIIJJAVPQPB-MJGOQNOKSA-N 1 1 359.470 3.250 20 5 FGBDMO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000548935233 504628655 /nfs/dbraw/zinc/62/86/55/504628655.db2.gz GQJPOMZPBIZJKX-IBGZPJMESA-N 1 1 358.438 3.126 20 5 FGBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000542872787 504641966 /nfs/dbraw/zinc/64/19/66/504641966.db2.gz ALZGTRGDHRHCBV-RYUDHWBXSA-N 1 1 371.384 3.046 20 5 FGBDMO CC[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000546108761 504712670 /nfs/dbraw/zinc/71/26/70/504712670.db2.gz BSZNBBVAGSBRJB-GOSISDBHSA-N 1 1 371.412 3.471 20 5 FGBDMO CC[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000546108761 504712674 /nfs/dbraw/zinc/71/26/74/504712674.db2.gz BSZNBBVAGSBRJB-GOSISDBHSA-N 1 1 371.412 3.471 20 5 FGBDMO CC[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000546109770 504712967 /nfs/dbraw/zinc/71/29/67/504712967.db2.gz RXQZEAXIKGEJMZ-LJQANCHMSA-N 1 1 367.449 3.260 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)n1 ZINC000553001812 504802789 /nfs/dbraw/zinc/80/27/89/504802789.db2.gz SLCGLOPLEJSRJI-ZFWWWQNUSA-N 1 1 370.409 3.024 20 5 FGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCCN3c4ccccc4C[C@H]3C2)cc1 ZINC000565131610 504803920 /nfs/dbraw/zinc/80/39/20/504803920.db2.gz OPSCIQIQBGEOGB-SFHVURJKSA-N 1 1 353.422 3.111 20 5 FGBDMO O=[N+]([O-])c1ccc(CC[N@@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)cc1 ZINC000549407815 504813978 /nfs/dbraw/zinc/81/39/78/504813978.db2.gz AXVNFERKYOIQFF-UHFFFAOYSA-N 1 1 363.421 3.383 20 5 FGBDMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000565320787 504853320 /nfs/dbraw/zinc/85/33/20/504853320.db2.gz HPIHUJNCXUHRDL-UHFFFAOYSA-N 1 1 359.813 3.205 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000562580028 504866083 /nfs/dbraw/zinc/86/60/83/504866083.db2.gz MRRXYASLXHUBBV-HFQYIWAZSA-N 1 1 371.441 3.327 20 5 FGBDMO CC[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc21)[N@@H+](C)Cc1ccccc1 ZINC000549750164 504887830 /nfs/dbraw/zinc/88/78/30/504887830.db2.gz RFHFIYRUKDSSRP-GOSISDBHSA-N 1 1 353.422 3.395 20 5 FGBDMO COc1cc(C[N@H+]2CCCCC[C@@H]2C[C@H](C)O)c([N+](=O)[O-])cc1OC ZINC000565800989 504990779 /nfs/dbraw/zinc/99/07/79/504990779.db2.gz JWOMUXPGJOZWNF-DZGCQCFKSA-N 1 1 352.431 3.128 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000563245307 505086123 /nfs/dbraw/zinc/08/61/23/505086123.db2.gz OTRDQIXOOAOBRI-LALPHHSUSA-N 1 1 365.861 3.359 20 5 FGBDMO CC[C@H]1CCCC[N@H+]1CCN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000560524948 505114327 /nfs/dbraw/zinc/11/43/27/505114327.db2.gz RXOOLLQYPUBSRT-PKOBYXMFSA-N 1 1 371.485 3.272 20 5 FGBDMO O=[N+]([O-])c1cccnc1SC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000566401190 505165091 /nfs/dbraw/zinc/16/50/91/505165091.db2.gz WPQUDGGTFMRKCL-INIZCTEOSA-N 1 1 359.451 3.373 20 5 FGBDMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000566525952 505195479 /nfs/dbraw/zinc/19/54/79/505195479.db2.gz AHMCBTNUTHACLE-YLJYHZDGSA-N 1 1 374.437 3.426 20 5 FGBDMO Cc1c(NC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000557900341 505258501 /nfs/dbraw/zinc/25/85/01/505258501.db2.gz BHMHBVWIMOPAPA-GOSISDBHSA-N 1 1 354.410 3.424 20 5 FGBDMO Cc1c(NC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000557900341 505258506 /nfs/dbraw/zinc/25/85/06/505258506.db2.gz BHMHBVWIMOPAPA-GOSISDBHSA-N 1 1 354.410 3.424 20 5 FGBDMO C[C@H]1CC[C@@H]([N@@H+](CCO)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000554935885 505303637 /nfs/dbraw/zinc/30/36/37/505303637.db2.gz YSDCPAFWJATTIV-GOEBONIOSA-N 1 1 359.426 3.275 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC([N@@H+](C)Cc2ccccc2)C1 ZINC000558230311 505340186 /nfs/dbraw/zinc/34/01/86/505340186.db2.gz UEWFKSUPBGHTRM-UHFFFAOYSA-N 1 1 354.410 3.251 20 5 FGBDMO CC(=O)c1cc(N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000561426589 505342112 /nfs/dbraw/zinc/34/21/12/505342112.db2.gz WSBGAUVPCJNZTR-SFHVURJKSA-N 1 1 353.422 3.161 20 5 FGBDMO CC(=O)c1cc(N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000561426589 505342117 /nfs/dbraw/zinc/34/21/17/505342117.db2.gz WSBGAUVPCJNZTR-SFHVURJKSA-N 1 1 353.422 3.161 20 5 FGBDMO CCCC[N@H+]1CCCC[C@H]1CNc1nccc(C(=O)OCC)c1[N+](=O)[O-] ZINC000564302159 505377115 /nfs/dbraw/zinc/37/71/15/505377115.db2.gz NSASGKKBFPWBER-AWEZNQCLSA-N 1 1 364.446 3.233 20 5 FGBDMO COc1ccccc1CC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000552040287 505378267 /nfs/dbraw/zinc/37/82/67/505378267.db2.gz VZWAVOHCRGCDRZ-LJQANCHMSA-N 1 1 366.421 3.259 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]C[C@@H](CO)CC1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000552055852 505383410 /nfs/dbraw/zinc/38/34/10/505383410.db2.gz FMISBZFYYBWOQF-LPHOPBHVSA-N 1 1 372.469 3.196 20 5 FGBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@H](O)Cc1ccccc1 ZINC000552071781 505390881 /nfs/dbraw/zinc/39/08/81/505390881.db2.gz BYSXWOFVZJIVGW-MRXNPFEDSA-N 1 1 366.364 3.232 20 5 FGBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@@H](C)C1 ZINC000561760739 505428979 /nfs/dbraw/zinc/42/89/79/505428979.db2.gz BROQHZPOLXEQQW-XEZPLFJOSA-N 1 1 357.410 3.143 20 5 FGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCn1cc(Br)cn1 ZINC000561796500 505439608 /nfs/dbraw/zinc/43/96/08/505439608.db2.gz CQCCHXKTCTXLKV-NSHDSACASA-N 1 1 353.220 3.247 20 5 FGBDMO CC[C@@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccccc1 ZINC000555547596 505452967 /nfs/dbraw/zinc/45/29/67/505452967.db2.gz NUVUWRZNHOLGFX-IBGZPJMESA-N 1 1 355.438 3.164 20 5 FGBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000558736403 505478083 /nfs/dbraw/zinc/47/80/83/505478083.db2.gz SGFLBKRRUSOTHL-NRFANRHFSA-N 1 1 367.449 3.337 20 5 FGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000558736403 505478086 /nfs/dbraw/zinc/47/80/86/505478086.db2.gz SGFLBKRRUSOTHL-NRFANRHFSA-N 1 1 367.449 3.337 20 5 FGBDMO C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558739827 505478879 /nfs/dbraw/zinc/47/88/79/505478879.db2.gz PSOKXLFJDVGFJU-GFCCVEGCSA-N 1 1 363.364 3.375 20 5 FGBDMO C[C@H](C(=O)Nc1c(F)cccc1F)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558739827 505478880 /nfs/dbraw/zinc/47/88/80/505478880.db2.gz PSOKXLFJDVGFJU-GFCCVEGCSA-N 1 1 363.364 3.375 20 5 FGBDMO C[C@]1(F)C[NH2+]CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000564957166 505563218 /nfs/dbraw/zinc/56/32/18/505563218.db2.gz CSFLXYQGPXPHHY-IBGZPJMESA-N 1 1 373.384 3.161 20 5 FGBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccncc1Br ZINC000599413021 506445970 /nfs/dbraw/zinc/44/59/70/506445970.db2.gz ROEIHMYWZMTPPZ-UHFFFAOYSA-N 1 1 350.216 3.427 20 5 FGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccncc1Br ZINC000599413021 506445977 /nfs/dbraw/zinc/44/59/77/506445977.db2.gz ROEIHMYWZMTPPZ-UHFFFAOYSA-N 1 1 350.216 3.427 20 5 FGBDMO C[N@@H+]1CCO[C@H](CSCc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000582845009 506451886 /nfs/dbraw/zinc/45/18/86/506451886.db2.gz ZDWXKVFMXCXGFL-LBPRGKRZSA-N 1 1 350.362 3.177 20 5 FGBDMO C[N@H+]1CCO[C@H](CSCc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000582845009 506451892 /nfs/dbraw/zinc/45/18/92/506451892.db2.gz ZDWXKVFMXCXGFL-LBPRGKRZSA-N 1 1 350.362 3.177 20 5 FGBDMO COC(=O)c1cc(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cc(C)c1[N+](=O)[O-] ZINC000596569713 506466105 /nfs/dbraw/zinc/46/61/05/506466105.db2.gz CURMUVMTEONNEP-HNNXBMFYSA-N 1 1 361.442 3.224 20 5 FGBDMO O=C(CC[N@H+]1CC[C@H](Oc2cccc(F)c2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000612174207 506473047 /nfs/dbraw/zinc/47/30/47/506473047.db2.gz APGBKMPNYVEKPO-SFHVURJKSA-N 1 1 373.384 3.216 20 5 FGBDMO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593225075 506479557 /nfs/dbraw/zinc/47/95/57/506479557.db2.gz BDXKVRVUCZDZKW-ARFHVFGLSA-N 1 1 368.437 3.113 20 5 FGBDMO C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000593226035 506480192 /nfs/dbraw/zinc/48/01/92/506480192.db2.gz HLVSSGCCOGPMGL-HRCADAONSA-N 1 1 370.453 3.057 20 5 FGBDMO CCc1ccc([C@H]([NH2+]CCc2nncn2CC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000612411608 506568636 /nfs/dbraw/zinc/56/86/36/506568636.db2.gz FAIQKBDTKDNQFH-LJQANCHMSA-N 1 1 369.425 3.283 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@H](C)[C@H]2Cc3ccccc3O2)c1 ZINC000589505481 506571842 /nfs/dbraw/zinc/57/18/42/506571842.db2.gz JTPLAIONHFUWKH-BFUOFWGJSA-N 1 1 370.405 3.205 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@H](C)[C@H]2Cc3ccccc3O2)c1 ZINC000589505481 506571853 /nfs/dbraw/zinc/57/18/53/506571853.db2.gz JTPLAIONHFUWKH-BFUOFWGJSA-N 1 1 370.405 3.205 20 5 FGBDMO COC(=O)[C@@H]1C[C@@H](C)[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)C1 ZINC000599694884 506585603 /nfs/dbraw/zinc/58/56/03/506585603.db2.gz IRXVVCFDPUUMPB-AGGWBTHJSA-N 1 1 373.409 3.412 20 5 FGBDMO COC(=O)[C@@H]1C[C@@H](C)[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)C1 ZINC000599694884 506585605 /nfs/dbraw/zinc/58/56/05/506585605.db2.gz IRXVVCFDPUUMPB-AGGWBTHJSA-N 1 1 373.409 3.412 20 5 FGBDMO Cc1noc(C)c1[C@H](C)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000612461646 506586896 /nfs/dbraw/zinc/58/68/96/506586896.db2.gz LWWYUJJMIQJZMI-QMMMGPOBSA-N 1 1 352.778 3.142 20 5 FGBDMO CC(C)c1ccc(C[N@H+]2CCC[C@H](N3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000583214986 506654429 /nfs/dbraw/zinc/65/44/29/506654429.db2.gz WXBUMVOTDYEGNT-SFHVURJKSA-N 1 1 361.486 3.405 20 5 FGBDMO CC(C)c1ccc(CN2CCC[C@H]([NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000583214986 506654434 /nfs/dbraw/zinc/65/44/34/506654434.db2.gz WXBUMVOTDYEGNT-SFHVURJKSA-N 1 1 361.486 3.405 20 5 FGBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599829498 506662336 /nfs/dbraw/zinc/66/23/36/506662336.db2.gz DSIFMEQNXRKENR-CQSZACIVSA-N 1 1 371.441 3.242 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)[C@H](C)C1 ZINC000599832025 506665460 /nfs/dbraw/zinc/66/54/60/506665460.db2.gz RRUAXCHOVHQUBW-DYVFJYSZSA-N 1 1 371.441 3.337 20 5 FGBDMO O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000599834954 506668203 /nfs/dbraw/zinc/66/82/03/506668203.db2.gz QDKZFYFJMOGLRC-SJLPKXTDSA-N 1 1 369.425 3.281 20 5 FGBDMO Cc1ccc(NC(=O)C[N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000604012483 506685353 /nfs/dbraw/zinc/68/53/53/506685353.db2.gz OPHLLJYZZHSSFP-UHFFFAOYSA-N 1 1 357.410 3.243 20 5 FGBDMO Cc1ccc(NC(=O)C[N@@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000604012483 506685362 /nfs/dbraw/zinc/68/53/62/506685362.db2.gz OPHLLJYZZHSSFP-UHFFFAOYSA-N 1 1 357.410 3.243 20 5 FGBDMO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000604122359 506721708 /nfs/dbraw/zinc/72/17/08/506721708.db2.gz LSBRFKKXXUWEPW-MAUKXSAKSA-N 1 1 368.437 3.230 20 5 FGBDMO C[N@H+]1CCC[C@]2(CCN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)C1 ZINC000590375050 506805403 /nfs/dbraw/zinc/80/54/03/506805403.db2.gz IKICGWQKGXDVMK-KRWDZBQOSA-N 1 1 355.385 3.114 20 5 FGBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccsc3Br)CC2)n1 ZINC000600155480 506810143 /nfs/dbraw/zinc/81/01/43/506810143.db2.gz DZHJTLVLZKYLDM-UHFFFAOYSA-N 1 1 371.260 3.452 20 5 FGBDMO COC(=O)[C@H](C)C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)C1CC1 ZINC000609203561 506813829 /nfs/dbraw/zinc/81/38/29/506813829.db2.gz IMOLCBNSDZRWPH-CYBMUJFWSA-N 1 1 350.415 3.156 20 5 FGBDMO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000597182689 506819912 /nfs/dbraw/zinc/81/99/12/506819912.db2.gz YXRGEJXCIKKAHU-HXINVUTJSA-N 1 1 372.343 3.281 20 5 FGBDMO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000597182689 506819916 /nfs/dbraw/zinc/81/99/16/506819916.db2.gz YXRGEJXCIKKAHU-HXINVUTJSA-N 1 1 372.343 3.281 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@@H](c3ccc(O)cc3)C1)OCCO2 ZINC000600213431 506851517 /nfs/dbraw/zinc/85/15/17/506851517.db2.gz FICHLDLVEXKSFP-CQSZACIVSA-N 1 1 356.378 3.061 20 5 FGBDMO CCOc1ccc(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000600229469 506861625 /nfs/dbraw/zinc/86/16/25/506861625.db2.gz SXGCBHHICGHMQZ-MRXNPFEDSA-N 1 1 361.442 3.130 20 5 FGBDMO Cn1cc([C@H]2C[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)CC2(C)C)cn1 ZINC000593998713 506874932 /nfs/dbraw/zinc/87/49/32/506874932.db2.gz VEXKGTQGHBSMBZ-GOSISDBHSA-N 1 1 358.442 3.223 20 5 FGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000590600749 506875488 /nfs/dbraw/zinc/87/54/88/506875488.db2.gz MHRNBAOGIGAUJM-GJZGRUSLSA-N 1 1 354.410 3.196 20 5 FGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000590600749 506875494 /nfs/dbraw/zinc/87/54/94/506875494.db2.gz MHRNBAOGIGAUJM-GJZGRUSLSA-N 1 1 354.410 3.196 20 5 FGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000590602801 506876585 /nfs/dbraw/zinc/87/65/85/506876585.db2.gz XSROIQSGUIVADK-GJZGRUSLSA-N 1 1 354.410 3.196 20 5 FGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000590602801 506876589 /nfs/dbraw/zinc/87/65/89/506876589.db2.gz XSROIQSGUIVADK-GJZGRUSLSA-N 1 1 354.410 3.196 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@H](OC4CCC4)C3)n2)c1 ZINC000594026208 506892767 /nfs/dbraw/zinc/89/27/67/506892767.db2.gz GAPBHFIRKODACC-INIZCTEOSA-N 1 1 358.398 3.178 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@H](OC4CCC4)C3)n2)c1 ZINC000594026208 506892772 /nfs/dbraw/zinc/89/27/72/506892772.db2.gz GAPBHFIRKODACC-INIZCTEOSA-N 1 1 358.398 3.178 20 5 FGBDMO C[N@H+]1CCCC[C@H](CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC000600311216 506899202 /nfs/dbraw/zinc/89/92/02/506899202.db2.gz AMHJORYFQGZWIB-OAHLLOKOSA-N 1 1 368.437 3.119 20 5 FGBDMO O=C(C[N@@H+]1CC[C@H](Cc2ccncc2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000613180232 506956751 /nfs/dbraw/zinc/95/67/51/506956751.db2.gz MTMVQSDRADLSRL-CQSZACIVSA-N 1 1 374.828 3.146 20 5 FGBDMO O=C(C[N@H+]1CC[C@H](Cc2ccncc2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000613180232 506956756 /nfs/dbraw/zinc/95/67/56/506956756.db2.gz MTMVQSDRADLSRL-CQSZACIVSA-N 1 1 374.828 3.146 20 5 FGBDMO COc1cc(C[NH2+][C@@H](Cn2cccn2)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000613381689 507059283 /nfs/dbraw/zinc/05/92/83/507059283.db2.gz VQBUHMJWVTZQTE-KRWDZBQOSA-N 1 1 370.384 3.470 20 5 FGBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000594284406 507063265 /nfs/dbraw/zinc/06/32/65/507063265.db2.gz XCOAITLUWUPADP-MOPGFXCFSA-N 1 1 372.469 3.286 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000610282003 507176852 /nfs/dbraw/zinc/17/68/52/507176852.db2.gz WUXGPPMKWNWZAO-AWEZNQCLSA-N 1 1 357.439 3.015 20 5 FGBDMO Cc1sc(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000610296439 507183380 /nfs/dbraw/zinc/18/33/80/507183380.db2.gz CWSWQGSPQBYDMU-HNNXBMFYSA-N 1 1 359.451 3.311 20 5 FGBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601011564 507226548 /nfs/dbraw/zinc/22/65/48/507226548.db2.gz VRDLCHQJRKHXMS-UKRRQHHQSA-N 1 1 357.385 3.299 20 5 FGBDMO C[N@H+]1CCCN(CCCNc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000613874894 507287951 /nfs/dbraw/zinc/28/79/51/507287951.db2.gz WJDKYSVKEOPPOY-UHFFFAOYSA-N 1 1 361.273 3.341 20 5 FGBDMO CN1CCC[N@H+](CCCNc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000613874894 507287959 /nfs/dbraw/zinc/28/79/59/507287959.db2.gz WJDKYSVKEOPPOY-UHFFFAOYSA-N 1 1 361.273 3.341 20 5 FGBDMO CN1CCC[N@@H+](CCCNc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000613874894 507287964 /nfs/dbraw/zinc/28/79/64/507287964.db2.gz WJDKYSVKEOPPOY-UHFFFAOYSA-N 1 1 361.273 3.341 20 5 FGBDMO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000598220468 507324719 /nfs/dbraw/zinc/32/47/19/507324719.db2.gz POAZXBHYQLIUQY-OAHLLOKOSA-N 1 1 370.453 3.142 20 5 FGBDMO COc1cc(CN[C@@H]2CC[N@H+](C3CCCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000594978830 507340317 /nfs/dbraw/zinc/34/03/17/507340317.db2.gz XCWWYTJIYSBGGA-OAHLLOKOSA-N 1 1 363.458 3.109 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cccc(C(=O)NC2CC2)c1 ZINC000595010963 507353677 /nfs/dbraw/zinc/35/36/77/507353677.db2.gz ASYGFKGHMNZULU-CYBMUJFWSA-N 1 1 369.421 3.346 20 5 FGBDMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000610712238 507359279 /nfs/dbraw/zinc/35/92/79/507359279.db2.gz MGOVTKGPGWKYAV-UHFFFAOYSA-N 1 1 354.341 3.158 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]CC[C@@]1(C)CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000595081919 507383402 /nfs/dbraw/zinc/38/34/02/507383402.db2.gz UFVJUTAAEXSAHP-ZBFHGGJFSA-N 1 1 350.369 3.443 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000595096028 507389183 /nfs/dbraw/zinc/38/91/83/507389183.db2.gz YQGDGRPMNUKOIC-UONOGXRCSA-N 1 1 350.369 3.299 20 5 FGBDMO O=C(CSc1ccccc1[N+](=O)[O-])NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000598507931 507465322 /nfs/dbraw/zinc/46/53/22/507465322.db2.gz DSXZGXCCVGABQH-INIZCTEOSA-N 1 1 371.462 3.078 20 5 FGBDMO O=C(CSc1ccccc1[N+](=O)[O-])NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000598507931 507465324 /nfs/dbraw/zinc/46/53/24/507465324.db2.gz DSXZGXCCVGABQH-INIZCTEOSA-N 1 1 371.462 3.078 20 5 FGBDMO C[C@H](C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000598510149 507467153 /nfs/dbraw/zinc/46/71/53/507467153.db2.gz NQVSFWHKBCRNTF-HNAYVOBHSA-N 1 1 353.422 3.089 20 5 FGBDMO CC[N@H+](C)[C@H](c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1)c1ccccc1 ZINC000584745716 507481273 /nfs/dbraw/zinc/48/12/73/507481273.db2.gz QJTOURZEQHXUHY-INIZCTEOSA-N 1 1 353.382 3.268 20 5 FGBDMO CC[N@@H+](C)[C@H](c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1)c1ccccc1 ZINC000584745716 507481283 /nfs/dbraw/zinc/48/12/83/507481283.db2.gz QJTOURZEQHXUHY-INIZCTEOSA-N 1 1 353.382 3.268 20 5 FGBDMO C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000598558836 507486300 /nfs/dbraw/zinc/48/63/00/507486300.db2.gz DYUHUAIYXVJJPS-HIFRSBDPSA-N 1 1 363.433 3.076 20 5 FGBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000598561300 507487459 /nfs/dbraw/zinc/48/74/59/507487459.db2.gz PQAUKGHHJCRCRS-MOPGFXCFSA-N 1 1 373.497 3.402 20 5 FGBDMO Cc1noc(C[NH2+]C(C)(C)COc2ccc(C(F)(F)F)cn2)c1[N+](=O)[O-] ZINC000595431080 507492582 /nfs/dbraw/zinc/49/25/82/507492582.db2.gz XTYNLLYZRICUOG-UHFFFAOYSA-N 1 1 374.319 3.252 20 5 FGBDMO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000611268172 507592941 /nfs/dbraw/zinc/59/29/41/507592941.db2.gz BMPOYOJWXCRPNN-MRXNPFEDSA-N 1 1 355.438 3.397 20 5 FGBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000611268172 507592946 /nfs/dbraw/zinc/59/29/46/507592946.db2.gz BMPOYOJWXCRPNN-MRXNPFEDSA-N 1 1 355.438 3.397 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCCO[C@H](c3ccccc3)C1)OCCO2 ZINC000611268304 507592980 /nfs/dbraw/zinc/59/29/80/507592980.db2.gz SOWCCPFBQICRCG-FQEVSTJZSA-N 1 1 370.405 3.330 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCCO[C@H](c3ccccc3)C1)OCCO2 ZINC000611268304 507592986 /nfs/dbraw/zinc/59/29/86/507592986.db2.gz SOWCCPFBQICRCG-FQEVSTJZSA-N 1 1 370.405 3.330 20 5 FGBDMO C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611286839 507606035 /nfs/dbraw/zinc/60/60/35/507606035.db2.gz QZYIYHSXBGVPFZ-ACJLOTCBSA-N 1 1 370.405 3.190 20 5 FGBDMO C[C@H](CO)[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000595672396 507621253 /nfs/dbraw/zinc/62/12/53/507621253.db2.gz ITSBPWBQBFAROO-RISCZKNCSA-N 1 1 357.248 3.340 20 5 FGBDMO C[C@H](CO)[C@@H]1CCCC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000595672396 507621258 /nfs/dbraw/zinc/62/12/58/507621258.db2.gz ITSBPWBQBFAROO-RISCZKNCSA-N 1 1 357.248 3.340 20 5 FGBDMO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)NCc1cccs1 ZINC000592375488 507624921 /nfs/dbraw/zinc/62/49/21/507624921.db2.gz VSSKWKDIJODNDM-HNNXBMFYSA-N 1 1 367.858 3.494 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+][C@H]1C[C@@H](OC(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000592395523 507636526 /nfs/dbraw/zinc/63/65/26/507636526.db2.gz COBSAGJWBUBEDT-HYVNUMGLSA-N 1 1 358.442 3.353 20 5 FGBDMO Cn1c2c(nc1[C@H]1CCCN1Cc1cc(O)ccc1[N+](=O)[O-])CCCC2 ZINC000614771617 507647308 /nfs/dbraw/zinc/64/73/08/507647308.db2.gz OLFKNOTULSTRSP-GOSISDBHSA-N 1 1 356.426 3.250 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1SCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000611383822 507653119 /nfs/dbraw/zinc/65/31/19/507653119.db2.gz ZZKKQXLVAAKRPS-TXEJJXNPSA-N 1 1 373.272 3.313 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000595747092 507662374 /nfs/dbraw/zinc/66/23/74/507662374.db2.gz FXQVTQKTPXQVIS-ZWKOTPCHSA-N 1 1 356.422 3.201 20 5 FGBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000598887769 507664392 /nfs/dbraw/zinc/66/43/92/507664392.db2.gz BYWMBDTXXFMKOB-UHFFFAOYSA-N 1 1 372.263 3.208 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000595748915 507664801 /nfs/dbraw/zinc/66/48/01/507664801.db2.gz ZWOGRUSZPKBBSG-PKOBYXMFSA-N 1 1 356.422 3.201 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H]2[C@@H](C)O)cc1OC ZINC000595767568 507676064 /nfs/dbraw/zinc/67/60/64/507676064.db2.gz YQNVVSUHOARATF-SQWLQELKSA-N 1 1 366.458 3.374 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000595789665 507686914 /nfs/dbraw/zinc/68/69/14/507686914.db2.gz RWGJAYIBSWSWEJ-KDOFPFPSSA-N 1 1 361.442 3.203 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000595789667 507687257 /nfs/dbraw/zinc/68/72/57/507687257.db2.gz RWGJAYIBSWSWEJ-RDTXWAMCSA-N 1 1 361.442 3.203 20 5 FGBDMO CC(C)[N@@H+](C)Cc1ccccc1CNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000611525587 507722851 /nfs/dbraw/zinc/72/28/51/507722851.db2.gz MPHAVPRHJJWPBF-UHFFFAOYSA-N 1 1 358.442 3.122 20 5 FGBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000595876281 507723135 /nfs/dbraw/zinc/72/31/35/507723135.db2.gz RLCRRZIQFKZTLL-GOSISDBHSA-N 1 1 368.437 3.011 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)cccc1[N+](=O)[O-] ZINC000595909699 507736867 /nfs/dbraw/zinc/73/68/67/507736867.db2.gz MSEMHWVEPKRRBF-RYGJVYDSSA-N 1 1 373.453 3.123 20 5 FGBDMO CCC1(O)CCC([NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000611560835 507738797 /nfs/dbraw/zinc/73/87/97/507738797.db2.gz LANBWGIDMWYXMS-URSIVYNOSA-N 1 1 358.442 3.091 20 5 FGBDMO CC(C)N(C(=O)c1ccc([N+](=O)[O-])o1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000592693977 507766955 /nfs/dbraw/zinc/76/69/55/507766955.db2.gz GAARPYBJJSCRKP-INIZCTEOSA-N 1 1 357.410 3.313 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000822271152 607058483 /nfs/dbraw/zinc/05/84/83/607058483.db2.gz OHTIDUMBYRZNJA-NSHDSACASA-N 1 1 356.361 3.073 20 5 FGBDMO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000016554729 695630444 /nfs/dbraw/zinc/63/04/44/695630444.db2.gz RBHDGDBMNIOLOD-UHFFFAOYSA-N 1 1 363.801 3.327 20 5 FGBDMO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000016554729 695630446 /nfs/dbraw/zinc/63/04/46/695630446.db2.gz RBHDGDBMNIOLOD-UHFFFAOYSA-N 1 1 363.801 3.327 20 5 FGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)c1 ZINC000136822968 704865442 /nfs/dbraw/zinc/86/54/42/704865442.db2.gz UEWYPELNQYFEGC-WMZOPIPTSA-N 1 1 362.451 3.371 20 5 FGBDMO CCS[C@@H]1CC[C@H]([N@H+](C)Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000173487434 705461059 /nfs/dbraw/zinc/46/10/59/705461059.db2.gz RRWMQOJRGOFNJM-WCQYABFASA-N 1 1 351.428 3.066 20 5 FGBDMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000173487434 705461065 /nfs/dbraw/zinc/46/10/65/705461065.db2.gz RRWMQOJRGOFNJM-WCQYABFASA-N 1 1 351.428 3.066 20 5 FGBDMO C[NH+](C)[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000524681137 714295407 /nfs/dbraw/zinc/29/54/07/714295407.db2.gz XLQOBBCSEYEOCT-INIZCTEOSA-N 1 1 365.792 3.420 20 5 FGBDMO CC[C@]1(CO)CCC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000779217552 724400294 /nfs/dbraw/zinc/40/02/94/724400294.db2.gz PQXBNEJNHNMJTA-HNNXBMFYSA-N 1 1 357.248 3.342 20 5 FGBDMO CC[C@]1(CO)CCC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000779217552 724400296 /nfs/dbraw/zinc/40/02/96/724400296.db2.gz PQXBNEJNHNMJTA-HNNXBMFYSA-N 1 1 357.248 3.342 20 5 FGBDMO CC(C)[C@H](C(=O)OCc1c(F)cc([N+](=O)[O-])cc1F)[NH+]1CCCCC1 ZINC000803362050 724445763 /nfs/dbraw/zinc/44/57/63/724445763.db2.gz SSHLSBAAYROQEK-MRXNPFEDSA-N 1 1 356.369 3.427 20 5 FGBDMO C[N@H+](Cn1cc(Br)c([N+](=O)[O-])n1)CC1(c2ccccc2)CC1 ZINC000780474030 724469931 /nfs/dbraw/zinc/46/99/31/724469931.db2.gz ZACLXFFFFCUVQT-UHFFFAOYSA-N 1 1 365.231 3.175 20 5 FGBDMO C[N@@H+](Cn1cc(Br)c([N+](=O)[O-])n1)CC1(c2ccccc2)CC1 ZINC000780474030 724469935 /nfs/dbraw/zinc/46/99/35/724469935.db2.gz ZACLXFFFFCUVQT-UHFFFAOYSA-N 1 1 365.231 3.175 20 5 FGBDMO CCCC[N@@H+](C)CC1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804359961 724507394 /nfs/dbraw/zinc/50/73/94/724507394.db2.gz AONGANDDCIHDFA-UHFFFAOYSA-N 1 1 350.419 3.451 20 5 FGBDMO O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000715597185 722416038 /nfs/dbraw/zinc/41/60/38/722416038.db2.gz OZGBZKFUWHBAAY-HNNXBMFYSA-N 1 1 359.813 3.253 20 5 FGBDMO O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000715597185 722416039 /nfs/dbraw/zinc/41/60/39/722416039.db2.gz OZGBZKFUWHBAAY-HNNXBMFYSA-N 1 1 359.813 3.253 20 5 FGBDMO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)c2ccc(F)cc2)ccc1Br ZINC000734851069 722510710 /nfs/dbraw/zinc/51/07/10/722510710.db2.gz UCTBCMBBLQCWOM-AWEZNQCLSA-N 1 1 369.190 3.320 20 5 FGBDMO CC(C)N(C)C(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000735491535 722516825 /nfs/dbraw/zinc/51/68/25/722516825.db2.gz LFDPVMYXRYLYNW-UHFFFAOYSA-N 1 1 353.850 3.327 20 5 FGBDMO CC(C)c1[nH+]ccn1CCNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000744408510 722576608 /nfs/dbraw/zinc/57/66/08/722576608.db2.gz VSUPDGGEJXSSIM-ZDUSSCGKSA-N 1 1 362.455 3.212 20 5 FGBDMO CC(C)n1cc([C@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cn1 ZINC000754806272 722946102 /nfs/dbraw/zinc/94/61/02/722946102.db2.gz GHLLWOKAHQWRJH-NSHDSACASA-N 1 1 365.821 3.315 20 5 FGBDMO C[C@H](CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000790539708 723151124 /nfs/dbraw/zinc/15/11/24/723151124.db2.gz SJCNEBFWIUAGHC-NWDGAFQWSA-N 1 1 371.840 3.309 20 5 FGBDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000791579539 723260496 /nfs/dbraw/zinc/26/04/96/723260496.db2.gz RBUHTOCVEAZZSA-KOLCDFICSA-N 1 1 363.311 3.335 20 5 FGBDMO C[N@H+]1CCCC[C@@H]1CCOC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000762987716 723301189 /nfs/dbraw/zinc/30/11/89/723301189.db2.gz GDPWWUJAESLAFQ-CYBMUJFWSA-N 1 1 352.406 3.429 20 5 FGBDMO CCC[C@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@H+]1CCOC ZINC000766973850 723601885 /nfs/dbraw/zinc/60/18/85/723601885.db2.gz VIELJNUGDRSVQT-HNNXBMFYSA-N 1 1 355.866 3.181 20 5 FGBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000768256772 723652190 /nfs/dbraw/zinc/65/21/90/723652190.db2.gz FBLZUKNZQKSIOP-LLVKDONJSA-N 1 1 355.232 3.358 20 5 FGBDMO O=[N+]([O-])c1cccc(Br)c1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000768256772 723652192 /nfs/dbraw/zinc/65/21/92/723652192.db2.gz FBLZUKNZQKSIOP-LLVKDONJSA-N 1 1 355.232 3.358 20 5 FGBDMO COC(=O)[C@@]1(F)CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000769562562 723689874 /nfs/dbraw/zinc/68/98/74/723689874.db2.gz ARRTZNRTQFXETM-QGZVFWFLSA-N 1 1 364.398 3.410 20 5 FGBDMO COC(=O)[C@@]1(F)CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000769562562 723689875 /nfs/dbraw/zinc/68/98/75/723689875.db2.gz ARRTZNRTQFXETM-QGZVFWFLSA-N 1 1 364.398 3.410 20 5 FGBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000770287573 723710338 /nfs/dbraw/zinc/71/03/38/723710338.db2.gz ZMQGGENAGUCNEC-FZMZJTMJSA-N 1 1 355.232 3.358 20 5 FGBDMO O=[N+]([O-])c1ccnn1C[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000799943166 724116367 /nfs/dbraw/zinc/11/63/67/724116367.db2.gz ICTYOVWYYQCGEG-UHFFFAOYSA-N 1 1 365.231 3.391 20 5 FGBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 ZINC000776584256 724162352 /nfs/dbraw/zinc/16/23/52/724162352.db2.gz JIIHXMDIYKAXPS-NSHDSACASA-N 1 1 372.265 3.445 20 5 FGBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 ZINC000776584256 724162356 /nfs/dbraw/zinc/16/23/56/724162356.db2.gz JIIHXMDIYKAXPS-NSHDSACASA-N 1 1 372.265 3.445 20 5 FGBDMO O=C1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCN1c1cccc(Cl)c1 ZINC000778096970 724296644 /nfs/dbraw/zinc/29/66/44/724296644.db2.gz LDUKHTGYKDDTDV-MRXNPFEDSA-N 1 1 363.776 3.282 20 5 FGBDMO NS(=O)(=O)[C@H]1CCC[N@@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000785979593 724953103 /nfs/dbraw/zinc/95/31/03/724953103.db2.gz QDSWGEKYJZIIKW-KRWDZBQOSA-N 1 1 354.475 3.246 20 5 FGBDMO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000809696268 725259579 /nfs/dbraw/zinc/25/95/79/725259579.db2.gz GHIOAQOXKKXKCU-CSPWOOARSA-N 1 1 358.316 3.035 20 5 FGBDMO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000809696268 725259581 /nfs/dbraw/zinc/25/95/81/725259581.db2.gz GHIOAQOXKKXKCU-CSPWOOARSA-N 1 1 358.316 3.035 20 5 FGBDMO O=[N+]([O-])c1ccc(Cl)c(CNc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)c1 ZINC000812779128 726809898 /nfs/dbraw/zinc/80/98/98/726809898.db2.gz WHMXWNZQGAKOEQ-QGZVFWFLSA-N 1 1 361.829 3.427 20 5 FGBDMO Cc1cccc(NCCNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])[nH+]1 ZINC000813465302 726880441 /nfs/dbraw/zinc/88/04/41/726880441.db2.gz NDYRVOBWJJOIEO-UHFFFAOYSA-N 1 1 369.208 3.447 20 5 FGBDMO Cc1nn(C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)c2ncc([N+](=O)[O-])cc12 ZINC000817364492 727243636 /nfs/dbraw/zinc/24/36/36/727243636.db2.gz PDPLFDIXDHCZLS-LLVKDONJSA-N 1 1 357.336 3.270 20 5 FGBDMO Cc1nn(C[N@H+]2CCC[C@H](CC(F)(F)F)C2)c2ncc([N+](=O)[O-])cc12 ZINC000817364492 727243638 /nfs/dbraw/zinc/24/36/38/727243638.db2.gz PDPLFDIXDHCZLS-LLVKDONJSA-N 1 1 357.336 3.270 20 5 FGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)c1 ZINC000823629456 729294133 /nfs/dbraw/zinc/29/41/33/729294133.db2.gz VZTUSPIIMPVAMM-KZNAEPCWSA-N 1 1 362.813 3.090 20 5 FGBDMO Cc1cc(Cl)c(C(=O)NCCn2cc[nH+]c2C(C)C)cc1[N+](=O)[O-] ZINC000825600153 729388970 /nfs/dbraw/zinc/38/89/70/729388970.db2.gz AHEGDGZKPGJMSX-UHFFFAOYSA-N 1 1 350.806 3.307 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000827285834 729428034 /nfs/dbraw/zinc/42/80/34/729428034.db2.gz BCKIQEQFIDFPRR-CZUORRHYSA-N 1 1 363.483 3.262 20 5 FGBDMO O=[N+]([O-])c1c(Cl)cccc1OC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000834378858 729798311 /nfs/dbraw/zinc/79/83/11/729798311.db2.gz SGQOQJXRHIUUJA-HNNXBMFYSA-N 1 1 362.813 3.046 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000836775280 729969620 /nfs/dbraw/zinc/96/96/20/729969620.db2.gz ZSPIMVWDZVUOCK-WFASDCNBSA-N 1 1 351.834 3.113 20 5 FGBDMO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)OCc1cccc([N+](=O)[O-])c1Br ZINC000840520314 730150865 /nfs/dbraw/zinc/15/08/65/730150865.db2.gz QOZGSXZBIFGDCK-PHIMTYICSA-N 1 1 371.231 3.273 20 5 FGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)OCc1cccc([N+](=O)[O-])c1Br ZINC000840520314 730150866 /nfs/dbraw/zinc/15/08/66/730150866.db2.gz QOZGSXZBIFGDCK-PHIMTYICSA-N 1 1 371.231 3.273 20 5 FGBDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000843820426 730657596 /nfs/dbraw/zinc/65/75/96/730657596.db2.gz ATUHTIHHMSRLKI-NSHDSACASA-N 1 1 350.806 3.275 20 5 FGBDMO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000847100275 731020899 /nfs/dbraw/zinc/02/08/99/731020899.db2.gz IKOWTDNOSWJCRL-KGLIPLIRSA-N 1 1 352.822 3.387 20 5 FGBDMO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000847335849 731047452 /nfs/dbraw/zinc/04/74/52/731047452.db2.gz DWAQSYLIRXDLFJ-CVEARBPZSA-N 1 1 366.849 3.064 20 5 FGBDMO C[C@@H](CNc1nc2ccc([N+](=O)[O-])cc2s1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848754206 731205023 /nfs/dbraw/zinc/20/50/23/731205023.db2.gz LQQIRDZDAZTLFY-SDDRHHMPSA-N 1 1 350.444 3.114 20 5 FGBDMO C[C@@H](CNc1nc2ccc([N+](=O)[O-])cc2s1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848754206 731205024 /nfs/dbraw/zinc/20/50/24/731205024.db2.gz LQQIRDZDAZTLFY-SDDRHHMPSA-N 1 1 350.444 3.114 20 5 FGBDMO C[N@H+]1CC[C@]2(C1)CCCN(Cc1cccc([N+](=O)[O-])c1Br)C2 ZINC000852107690 731544107 /nfs/dbraw/zinc/54/41/07/731544107.db2.gz OKJKFHUYICJZGQ-INIZCTEOSA-N 1 1 368.275 3.275 20 5 FGBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)CC(C)(C)NC(=O)OC(C)(C)C ZINC000852307740 731568241 /nfs/dbraw/zinc/56/82/41/731568241.db2.gz GBXVIHFQEWEWKN-UHFFFAOYSA-N 1 1 355.410 3.469 20 5 FGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)CC(C)(C)NC(=O)OC(C)(C)C ZINC000852307740 731568244 /nfs/dbraw/zinc/56/82/44/731568244.db2.gz GBXVIHFQEWEWKN-UHFFFAOYSA-N 1 1 355.410 3.469 20 5 FGBDMO C[C@H]1CCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)[C@H]1CCO ZINC000852460459 731586720 /nfs/dbraw/zinc/58/67/20/731586720.db2.gz CTHDITTWJUVMSU-FZMZJTMJSA-N 1 1 357.248 3.340 20 5 FGBDMO C[C@H]1CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)[C@H]1CCO ZINC000852460459 731586724 /nfs/dbraw/zinc/58/67/24/731586724.db2.gz CTHDITTWJUVMSU-FZMZJTMJSA-N 1 1 357.248 3.340 20 5 FGBDMO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000854183925 731802055 /nfs/dbraw/zinc/80/20/55/731802055.db2.gz GMIULZQMMJKARK-ZDUSSCGKSA-N 1 1 366.849 3.492 20 5 FGBDMO Cc1cc(Cl)c(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000863033276 732907017 /nfs/dbraw/zinc/90/70/17/732907017.db2.gz USZPVVBBDIQIEH-ZDUSSCGKSA-N 1 1 351.834 3.303 20 5 FGBDMO Cc1csc([C@@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)n1 ZINC000877813306 736726518 /nfs/dbraw/zinc/72/65/18/736726518.db2.gz KRCNCQPCHAWBOS-GFCCVEGCSA-N 1 1 361.423 3.216 20 5 FGBDMO COc1cccc2c1CC[C@]2(CO)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000880381007 737167252 /nfs/dbraw/zinc/16/72/52/737167252.db2.gz MWZJGDQFSGNONN-GOSISDBHSA-N 1 1 362.813 3.180 20 5 FGBDMO COc1cccc2c1CC[C@@]2(CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000880383510 737167899 /nfs/dbraw/zinc/16/78/99/737167899.db2.gz FMQIIZYNYXGMGG-SFHVURJKSA-N 1 1 362.813 3.180 20 5 FGBDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)Cc3cccnc3[N+](=O)[O-])C2)s1 ZINC000886193800 739227555 /nfs/dbraw/zinc/22/75/55/739227555.db2.gz CHIAHBGPQGNWEP-HNNXBMFYSA-N 1 1 360.483 3.314 20 5 FGBDMO O=[N+]([O-])c1ncccc1C[NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000886226674 739232853 /nfs/dbraw/zinc/23/28/53/739232853.db2.gz PTAGLNVTRXKREU-AWEZNQCLSA-N 1 1 355.316 3.222 20 5 FGBDMO CC[N@@H+]1CCc2nc(NC(=O)c3c(C)c(C)ccc3[N+](=O)[O-])sc2C1 ZINC000887630308 739405376 /nfs/dbraw/zinc/40/53/76/739405376.db2.gz JQBHJZSHWSOHRL-UHFFFAOYSA-N 1 1 360.439 3.298 20 5 FGBDMO CC[N@H+]1CCc2nc(NC(=O)c3c(C)c(C)ccc3[N+](=O)[O-])sc2C1 ZINC000887630308 739405377 /nfs/dbraw/zinc/40/53/77/739405377.db2.gz JQBHJZSHWSOHRL-UHFFFAOYSA-N 1 1 360.439 3.298 20 5 FGBDMO COc1c(O)ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000896048840 742487369 /nfs/dbraw/zinc/48/73/69/742487369.db2.gz UKBIAJPAPFBDTM-NHYWBVRUSA-N 1 1 360.332 3.473 20 5 FGBDMO Cn1cc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c(Br)n1 ZINC000903188867 743819504 /nfs/dbraw/zinc/81/95/04/743819504.db2.gz ZQURJPQZRMSANR-AWEZNQCLSA-N 1 1 365.231 3.258 20 5 FGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000906927624 744172753 /nfs/dbraw/zinc/17/27/53/744172753.db2.gz LWPTXSUFNJUGMC-ZBFHGGJFSA-N 1 1 365.861 3.266 20 5 FGBDMO CC[N@H+](CCc1ccccn1)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000920256351 758527465 /nfs/dbraw/zinc/52/74/65/758527465.db2.gz BPLVTQVNTTVVOS-UHFFFAOYSA-N 1 1 362.817 3.146 20 5 FGBDMO CC[N@@H+](CCc1ccccn1)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000920256351 758527474 /nfs/dbraw/zinc/52/74/74/758527474.db2.gz BPLVTQVNTTVVOS-UHFFFAOYSA-N 1 1 362.817 3.146 20 5 FGBDMO CC(C)[N@H+]1CCCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000931793440 760966144 /nfs/dbraw/zinc/96/61/44/760966144.db2.gz BZOCRQXQDHPHLA-UHFFFAOYSA-N 1 1 353.850 3.124 20 5 FGBDMO O=C(C[NH2+][C@@H](c1ccccn1)C1CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000932376485 761152823 /nfs/dbraw/zinc/15/28/23/761152823.db2.gz KKZLSGONUKPQNP-QGZVFWFLSA-N 1 1 360.801 3.323 20 5 FGBDMO C[C@@](CO)([NH2+]Cc1csc([N+](=O)[O-])c1)c1cccc(Br)c1 ZINC000934498004 761638642 /nfs/dbraw/zinc/63/86/42/761638642.db2.gz VLAZYPGNSXTENZ-AWEZNQCLSA-N 1 1 371.256 3.416 20 5 FGBDMO C[N@@H+](Cc1ccccc1NC(=O)Cn1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000043269595 205103047 /nfs/dbraw/zinc/10/30/47/205103047.db2.gz ZVJZXRSMZFQOSV-UHFFFAOYSA-N 1 1 371.441 3.195 20 5 FGBDMO CC(C)[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000110628910 206077433 /nfs/dbraw/zinc/07/74/33/206077433.db2.gz WVRFLIUWJFXBDX-UHFFFAOYSA-N 1 1 366.421 3.284 20 5 FGBDMO CC(=O)c1ccc(NC2CC[NH+](Cc3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000052407541 257345814 /nfs/dbraw/zinc/34/58/14/257345814.db2.gz YYHAXXLIAWAMPA-UHFFFAOYSA-N 1 1 354.410 3.269 20 5 FGBDMO Cc1cccc([C@@H]2CCC[N@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000576720363 505578260 /nfs/dbraw/zinc/57/82/60/505578260.db2.gz SPANWIMWRSBEEJ-SFHVURJKSA-N 1 1 354.410 3.464 20 5 FGBDMO COc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc(OC)c1O ZINC000573644871 505586193 /nfs/dbraw/zinc/58/61/93/505586193.db2.gz GVAPXCMHRZPUOP-UHFFFAOYSA-N 1 1 352.774 3.261 20 5 FGBDMO C[C@H](CNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000057719894 493790161 /nfs/dbraw/zinc/79/01/61/493790161.db2.gz OXCVRPPSLMNATG-LSDHHAIUSA-N 1 1 374.485 3.044 20 5 FGBDMO Cc1cccnc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000080928386 493792968 /nfs/dbraw/zinc/79/29/68/493792968.db2.gz NPUWEOJLEMKQBD-MRXNPFEDSA-N 1 1 354.410 3.149 20 5 FGBDMO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)nc1 ZINC000080926847 493793188 /nfs/dbraw/zinc/79/31/88/493793188.db2.gz UOAJLNQYYAMXKL-AWEZNQCLSA-N 1 1 360.439 3.210 20 5 FGBDMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)nc1 ZINC000080926847 493793192 /nfs/dbraw/zinc/79/31/92/493793192.db2.gz UOAJLNQYYAMXKL-AWEZNQCLSA-N 1 1 360.439 3.210 20 5 FGBDMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)nc1 ZINC000080927185 493793450 /nfs/dbraw/zinc/79/34/50/493793450.db2.gz VKEWZXSYVVDCAE-KRWDZBQOSA-N 1 1 368.437 3.191 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000057769758 493795472 /nfs/dbraw/zinc/79/54/72/493795472.db2.gz YSSCVFWQHQWGMY-INIZCTEOSA-N 1 1 374.485 3.189 20 5 FGBDMO CCOc1ccc(C[N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000028931734 493808344 /nfs/dbraw/zinc/80/83/44/493808344.db2.gz CSHXNMZEWQKOMJ-UHFFFAOYSA-N 1 1 357.410 3.088 20 5 FGBDMO CCOc1ccc(C[N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000028931734 493808350 /nfs/dbraw/zinc/80/83/50/493808350.db2.gz CSHXNMZEWQKOMJ-UHFFFAOYSA-N 1 1 357.410 3.088 20 5 FGBDMO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000081123336 493835905 /nfs/dbraw/zinc/83/59/05/493835905.db2.gz VKNZYBQVUZXIMQ-KGLIPLIRSA-N 1 1 351.834 3.081 20 5 FGBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCc2ccccc21 ZINC000029490382 493841643 /nfs/dbraw/zinc/84/16/43/493841643.db2.gz HHGKNOAMAWLYGV-GOSISDBHSA-N 1 1 351.406 3.103 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1ccc(C)s1 ZINC000076342891 493871810 /nfs/dbraw/zinc/87/18/10/493871810.db2.gz LHIPNHVHJLYUHJ-UHFFFAOYSA-N 1 1 363.439 3.434 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000069047510 493912942 /nfs/dbraw/zinc/91/29/42/493912942.db2.gz FWDIJPCWQPDUJU-AWEZNQCLSA-N 1 1 365.499 3.408 20 5 FGBDMO COc1ccccc1[C@H]1CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000069085606 493918189 /nfs/dbraw/zinc/91/81/89/493918189.db2.gz PTIBNABKFBVZLG-GOSISDBHSA-N 1 1 369.421 3.403 20 5 FGBDMO COc1ccccc1[C@H]1CCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000069085606 493918193 /nfs/dbraw/zinc/91/81/93/493918193.db2.gz PTIBNABKFBVZLG-GOSISDBHSA-N 1 1 369.421 3.403 20 5 FGBDMO CC(C)[N@@H+](C)CCCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050575249 493922314 /nfs/dbraw/zinc/92/23/14/493922314.db2.gz ZZSLNGWVJBMMQM-UHFFFAOYSA-N 1 1 362.455 3.178 20 5 FGBDMO CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)Nc1cccc(OC)c1 ZINC000051407664 493967329 /nfs/dbraw/zinc/96/73/29/493967329.db2.gz MTSVWDHNAVQTMI-UHFFFAOYSA-N 1 1 357.410 3.107 20 5 FGBDMO C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccc(Br)o1 ZINC000051423672 493968460 /nfs/dbraw/zinc/96/84/60/493968460.db2.gz JWTQQMHWXYHOHJ-UHFFFAOYSA-N 1 1 355.188 3.461 20 5 FGBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccc(Br)o1 ZINC000051423672 493968461 /nfs/dbraw/zinc/96/84/61/493968461.db2.gz JWTQQMHWXYHOHJ-UHFFFAOYSA-N 1 1 355.188 3.461 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000052247429 494014303 /nfs/dbraw/zinc/01/43/03/494014303.db2.gz JTQJMQHXFUWARF-CQSZACIVSA-N 1 1 369.487 3.065 20 5 FGBDMO C[C@@H]1CN(Cc2ccccc2C[NH2+]Cc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000069833330 494020980 /nfs/dbraw/zinc/02/09/80/494020980.db2.gz SZWPOYKJMDZFKX-IAGOWNOFSA-N 1 1 369.465 3.494 20 5 FGBDMO CC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](C)c1cccc(OC)c1 ZINC000052705914 494054439 /nfs/dbraw/zinc/05/44/39/494054439.db2.gz BOPYPFZNAWLFSR-YJBOKZPZSA-N 1 1 374.437 3.426 20 5 FGBDMO CC(C)[N@H+](CC(=O)N1CCc2ccccc2C1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350546 494116638 /nfs/dbraw/zinc/11/66/38/494116638.db2.gz AKYUDWPSKIUDHZ-UHFFFAOYSA-N 1 1 367.449 3.390 20 5 FGBDMO CC(C)[N@@H+](CC(=O)N1CCc2ccccc2C1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350546 494116640 /nfs/dbraw/zinc/11/66/40/494116640.db2.gz AKYUDWPSKIUDHZ-UHFFFAOYSA-N 1 1 367.449 3.390 20 5 FGBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCn3cc([N+](=O)[O-])cn3)cc2)C1 ZINC000065784634 494237575 /nfs/dbraw/zinc/23/75/75/494237575.db2.gz WMLQUOLFVVVIFW-OAHLLOKOSA-N 1 1 371.441 3.052 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@H](Nc3ncc([N+](=O)[O-])cc3C)C2)cc(OC)c1 ZINC000088751331 494257765 /nfs/dbraw/zinc/25/77/65/494257765.db2.gz GLYVOESOYIXAJO-OAHLLOKOSA-N 1 1 372.425 3.002 20 5 FGBDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000072838232 494261610 /nfs/dbraw/zinc/26/16/10/494261610.db2.gz VXRCTYNWYSMGSF-UKRRQHHQSA-N 1 1 351.472 3.448 20 5 FGBDMO C[C@H](NC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000054804868 494273372 /nfs/dbraw/zinc/27/33/72/494273372.db2.gz HNBHJEYCGSJBGX-CABCVRRESA-N 1 1 362.474 3.466 20 5 FGBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC2(C1)CCOCC2 ZINC000072898635 494278584 /nfs/dbraw/zinc/27/85/84/494278584.db2.gz YZJADFDYSAPLCY-GFCCVEGCSA-N 1 1 367.833 3.078 20 5 FGBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC2(C1)CCOCC2 ZINC000072898635 494278586 /nfs/dbraw/zinc/27/85/86/494278586.db2.gz YZJADFDYSAPLCY-GFCCVEGCSA-N 1 1 367.833 3.078 20 5 FGBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000055402711 494338098 /nfs/dbraw/zinc/33/80/98/494338098.db2.gz AORJSBZNUGCLEA-RBSFLKMASA-N 1 1 365.499 3.312 20 5 FGBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)COc1ccccc1F ZINC000066483804 494343433 /nfs/dbraw/zinc/34/34/33/494343433.db2.gz FAOUBECLNKCSCY-QGZVFWFLSA-N 1 1 362.401 3.384 20 5 FGBDMO COc1ccc([C@@H](C)[N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000073986847 494461689 /nfs/dbraw/zinc/46/16/89/494461689.db2.gz FCKJBABBCQXUHH-CQSZACIVSA-N 1 1 369.421 3.186 20 5 FGBDMO COc1ccc([C@@H](C)[N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000073986847 494461694 /nfs/dbraw/zinc/46/16/94/494461694.db2.gz FCKJBABBCQXUHH-CQSZACIVSA-N 1 1 369.421 3.186 20 5 FGBDMO O=[N+]([O-])c1cccc(OCCN2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000046057114 494491301 /nfs/dbraw/zinc/49/13/01/494491301.db2.gz DXIXJCVDDRDIGH-VMPITWQZSA-N 1 1 367.449 3.305 20 5 FGBDMO O=[N+]([O-])c1cccc(OCC[NH+]2CCN(C/C=C/c3ccccc3)CC2)c1 ZINC000046057114 494491303 /nfs/dbraw/zinc/49/13/03/494491303.db2.gz DXIXJCVDDRDIGH-VMPITWQZSA-N 1 1 367.449 3.305 20 5 FGBDMO C[C@H](NC(=O)NCCC[N@@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000056381923 494496301 /nfs/dbraw/zinc/49/63/01/494496301.db2.gz ACHGLHQEWNWAKJ-INIZCTEOSA-N 1 1 370.453 3.477 20 5 FGBDMO Cc1c(C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)cccc1[N+](=O)[O-] ZINC000046244106 494508662 /nfs/dbraw/zinc/50/86/62/494508662.db2.gz UUWIPHLWUXHOAQ-LBPRGKRZSA-N 1 1 359.451 3.141 20 5 FGBDMO Cc1c(C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)cccc1[N+](=O)[O-] ZINC000046244106 494508665 /nfs/dbraw/zinc/50/86/65/494508665.db2.gz UUWIPHLWUXHOAQ-LBPRGKRZSA-N 1 1 359.451 3.141 20 5 FGBDMO CCOc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000021917559 494510388 /nfs/dbraw/zinc/51/03/88/494510388.db2.gz HDMAYEDJWSTDGN-CQSZACIVSA-N 1 1 357.410 3.453 20 5 FGBDMO CCOc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000021917559 494510390 /nfs/dbraw/zinc/51/03/90/494510390.db2.gz HDMAYEDJWSTDGN-CQSZACIVSA-N 1 1 357.410 3.453 20 5 FGBDMO CCC[N@H+]1CCCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000074289919 494511522 /nfs/dbraw/zinc/51/15/22/494511522.db2.gz WWPUHCCMHHLJEL-AWEZNQCLSA-N 1 1 359.430 3.124 20 5 FGBDMO COc1ccc(OCC[N@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)c([N+](=O)[O-])c1 ZINC000091081543 494526921 /nfs/dbraw/zinc/52/69/21/494526921.db2.gz LEJUGJOBYCUBOX-OAHLLOKOSA-N 1 1 360.414 3.159 20 5 FGBDMO C[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(F)cc1F ZINC000067452045 494543447 /nfs/dbraw/zinc/54/34/47/494543447.db2.gz DIBLNXASKCFWPT-GTNSWQLSSA-N 1 1 361.348 3.329 20 5 FGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCc1nc(-c3ccccc3)no1)CC2 ZINC000131313896 494580565 /nfs/dbraw/zinc/58/05/65/494580565.db2.gz NILHYIKWDPRRDD-UHFFFAOYSA-N 1 1 350.378 3.246 20 5 FGBDMO Cc1c(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000025461419 494744239 /nfs/dbraw/zinc/74/42/39/494744239.db2.gz ULRITPUGYXZOQB-UHFFFAOYSA-N 1 1 367.449 3.470 20 5 FGBDMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)nc1 ZINC000092004477 494750621 /nfs/dbraw/zinc/75/06/21/494750621.db2.gz ALMIBJADWQPDGO-KRWDZBQOSA-N 1 1 368.437 3.457 20 5 FGBDMO Cc1cccc(C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000121561130 494803721 /nfs/dbraw/zinc/80/37/21/494803721.db2.gz YPTUONDDWNMOMV-CYBMUJFWSA-N 1 1 359.451 3.141 20 5 FGBDMO Cc1cccc(C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000121561130 494803724 /nfs/dbraw/zinc/80/37/24/494803724.db2.gz YPTUONDDWNMOMV-CYBMUJFWSA-N 1 1 359.451 3.141 20 5 FGBDMO C[C@H]1CCC[N@@H+](CCCCNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000121609225 494818354 /nfs/dbraw/zinc/81/83/54/494818354.db2.gz MMAQRZSAWWCGJV-HNNXBMFYSA-N 1 1 374.485 3.411 20 5 FGBDMO C[N@@H+](CCOc1ccccc1F)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000026337150 494819206 /nfs/dbraw/zinc/81/92/06/494819206.db2.gz VLXPDTNTZJCZCF-UHFFFAOYSA-N 1 1 361.373 3.073 20 5 FGBDMO CC[C@@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccccc1 ZINC000571484977 505743929 /nfs/dbraw/zinc/74/39/29/505743929.db2.gz IMHBUJISYUIVGM-IBGZPJMESA-N 1 1 370.453 3.034 20 5 FGBDMO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000026484921 494828733 /nfs/dbraw/zinc/82/87/33/494828733.db2.gz JYCSXBOXNVCQDS-OAHLLOKOSA-N 1 1 357.435 3.383 20 5 FGBDMO O=C(C[N@H+]1CCC[C@@H]1c1cccs1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000026484921 494828736 /nfs/dbraw/zinc/82/87/36/494828736.db2.gz JYCSXBOXNVCQDS-OAHLLOKOSA-N 1 1 357.435 3.383 20 5 FGBDMO C[C@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])o2)CC[N@H+]1Cc1ccccc1 ZINC000132307164 494855426 /nfs/dbraw/zinc/85/54/26/494855426.db2.gz LZOPYMORROMTAD-GOEBONIOSA-N 1 1 357.410 3.313 20 5 FGBDMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000132450159 494876714 /nfs/dbraw/zinc/87/67/14/494876714.db2.gz ZQABLNPXHCTBHF-MRXNPFEDSA-N 1 1 357.385 3.128 20 5 FGBDMO C[N@@H+](CCCO)C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000093394952 494885514 /nfs/dbraw/zinc/88/55/14/494885514.db2.gz OQRMGQTUUFOYHQ-UHFFFAOYSA-N 1 1 373.453 3.133 20 5 FGBDMO Cn1cc[nH+]c1CC1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000121929622 494893082 /nfs/dbraw/zinc/89/30/82/494893082.db2.gz 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ZINC000177595626 496125508 /nfs/dbraw/zinc/12/55/08/496125508.db2.gz QSRKBHFEHJEUBB-HNNXBMFYSA-N 1 1 352.406 3.284 20 5 FGBDMO C[C@@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000183888166 496148036 /nfs/dbraw/zinc/14/80/36/496148036.db2.gz PRPDVOBVTXBABB-LSDHHAIUSA-N 1 1 373.428 3.474 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000183910436 496157517 /nfs/dbraw/zinc/15/75/17/496157517.db2.gz DNCPBMPLCXTWBY-CQSZACIVSA-N 1 1 351.200 3.181 20 5 FGBDMO Cc1cc(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000174923635 496166370 /nfs/dbraw/zinc/16/63/70/496166370.db2.gz RNEVLQYDFCQEDA-SFHVURJKSA-N 1 1 367.449 3.497 20 5 FGBDMO COc1ccc(OCC[N@@H+](C)C[C@H](C)c2nccs2)c([N+](=O)[O-])c1 ZINC000183935997 496168045 /nfs/dbraw/zinc/16/80/45/496168045.db2.gz XCLWHKZIDHIJQW-LBPRGKRZSA-N 1 1 351.428 3.174 20 5 FGBDMO O=C1C[C@H]([NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000180927981 496203820 /nfs/dbraw/zinc/20/38/20/496203820.db2.gz LVDINVKGZWLNLA-OXJNMPFZSA-N 1 1 351.406 3.037 20 5 FGBDMO COc1ccc(OCC[N@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])cc1 ZINC000184235926 496298509 /nfs/dbraw/zinc/29/85/09/496298509.db2.gz LOVIHUSVFQXWTE-UHFFFAOYSA-N 1 1 364.373 3.262 20 5 FGBDMO COc1ccc(OCC[N@@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])cc1 ZINC000184235926 496298514 /nfs/dbraw/zinc/29/85/14/496298514.db2.gz LOVIHUSVFQXWTE-UHFFFAOYSA-N 1 1 364.373 3.262 20 5 FGBDMO O=C(Cc1cccc(F)c1)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000178040569 496300263 /nfs/dbraw/zinc/30/02/63/496300263.db2.gz SJMLRXWKAIKTQR-UHFFFAOYSA-N 1 1 371.412 3.011 20 5 FGBDMO O=C(Cc1cccc(F)c1)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000178040569 496300268 /nfs/dbraw/zinc/30/02/68/496300268.db2.gz SJMLRXWKAIKTQR-UHFFFAOYSA-N 1 1 371.412 3.011 20 5 FGBDMO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000178057740 496308323 /nfs/dbraw/zinc/30/83/23/496308323.db2.gz BTGNKWUWMLBXDL-MRXNPFEDSA-N 1 1 353.422 3.237 20 5 FGBDMO COCCc1nc(C)c([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)s1 ZINC000181413145 496384381 /nfs/dbraw/zinc/38/43/81/496384381.db2.gz QZHHZCPBPNOTJC-NSHDSACASA-N 1 1 365.455 3.408 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000181456709 496404194 /nfs/dbraw/zinc/40/41/94/496404194.db2.gz UNPPOIRLSSLRBG-CQSZACIVSA-N 1 1 351.472 3.262 20 5 FGBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000153305499 496415028 /nfs/dbraw/zinc/41/50/28/496415028.db2.gz DODDYRRFEUKHEA-VQIMIIECSA-N 1 1 357.454 3.003 20 5 FGBDMO Cc1ccc([C@@H](C)NC(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000175541386 496434188 /nfs/dbraw/zinc/43/41/88/496434188.db2.gz OOQITXWUHNOMOB-CJNGLKHVSA-N 1 1 360.414 3.159 20 5 FGBDMO Cc1[nH+]ccn1CCCCNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184670464 496486224 /nfs/dbraw/zinc/48/62/24/496486224.db2.gz ACCLBGMJUVZVIY-UHFFFAOYSA-N 1 1 365.821 3.033 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1Cc2ccccc2C[C@H]1C ZINC000172909813 496487104 /nfs/dbraw/zinc/48/71/04/496487104.db2.gz FBJWFZXGINVHIA-CQSZACIVSA-N 1 1 369.421 3.379 20 5 FGBDMO CCc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000153559928 496497594 /nfs/dbraw/zinc/49/75/94/496497594.db2.gz CKLULBSEEYNTEI-WMZOPIPTSA-N 1 1 357.454 3.246 20 5 FGBDMO CC(=O)N1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C(C)(C)C1 ZINC000184725275 496509121 /nfs/dbraw/zinc/50/91/21/496509121.db2.gz VICUXWGBKQJHAC-UHFFFAOYSA-N 1 1 357.410 3.298 20 5 FGBDMO CC(=O)N1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C(C)(C)C1 ZINC000184725275 496509128 /nfs/dbraw/zinc/50/91/28/496509128.db2.gz VICUXWGBKQJHAC-UHFFFAOYSA-N 1 1 357.410 3.298 20 5 FGBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000173022750 496523932 /nfs/dbraw/zinc/52/39/32/496523932.db2.gz ALJBBWPUJACFLB-UHFFFAOYSA-N 1 1 371.412 3.011 20 5 FGBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000173022750 496523940 /nfs/dbraw/zinc/52/39/40/496523940.db2.gz ALJBBWPUJACFLB-UHFFFAOYSA-N 1 1 371.412 3.011 20 5 FGBDMO CCOc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000163560742 496532670 /nfs/dbraw/zinc/53/26/70/496532670.db2.gz XNBDZJCHJQTWTB-HNNXBMFYSA-N 1 1 363.458 3.091 20 5 FGBDMO O=C(CC[N@@H+]1CCO[C@@H](c2cccs2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000158049485 496616574 /nfs/dbraw/zinc/61/65/74/496616574.db2.gz BOFKTEAVPIVBJE-OAHLLOKOSA-N 1 1 361.423 3.058 20 5 FGBDMO O=C(CC[N@H+]1CCO[C@@H](c2cccs2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000158049485 496616580 /nfs/dbraw/zinc/61/65/80/496616580.db2.gz BOFKTEAVPIVBJE-OAHLLOKOSA-N 1 1 361.423 3.058 20 5 FGBDMO CCO[C@H]1C[C@H]([N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C12CCC2 ZINC000153940517 496630939 /nfs/dbraw/zinc/63/09/39/496630939.db2.gz UIXXUHJRLRUHDK-IRXDYDNUSA-N 1 1 361.442 3.121 20 5 FGBDMO CCO[C@H]1C[C@H]([N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C12CCC2 ZINC000153940517 496630945 /nfs/dbraw/zinc/63/09/45/496630945.db2.gz UIXXUHJRLRUHDK-IRXDYDNUSA-N 1 1 361.442 3.121 20 5 FGBDMO CSc1cccc(C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000188057118 496666359 /nfs/dbraw/zinc/66/63/59/496666359.db2.gz HCTBZGSMDHHKGK-STQMWFEESA-N 1 1 351.472 3.167 20 5 FGBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000185152447 496681788 /nfs/dbraw/zinc/68/17/88/496681788.db2.gz XNSHKRBREQDBGU-KBPBESRZSA-N 1 1 351.422 3.074 20 5 FGBDMO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182196740 496703444 /nfs/dbraw/zinc/70/34/44/496703444.db2.gz GQPKTKAEBVUXQP-OCCSQVGLSA-N 1 1 366.364 3.306 20 5 FGBDMO O=C1CCCCN1CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182338797 496730308 /nfs/dbraw/zinc/73/03/08/496730308.db2.gz ZLTSZSFZZUXMLK-UHFFFAOYSA-N 1 1 365.861 3.473 20 5 FGBDMO COc1ccc(C[NH+]2CCC(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000263873989 496751354 /nfs/dbraw/zinc/75/13/54/496751354.db2.gz HAABEQVRUNLGGO-UHFFFAOYSA-N 1 1 350.415 3.157 20 5 FGBDMO CCC[C@@]1(COC)CCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000194922505 496761313 /nfs/dbraw/zinc/76/13/13/496761313.db2.gz SFJMAFAVZKDYCC-SFHVURJKSA-N 1 1 360.414 3.426 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC(c4ccncc4)CC3)n2)cc1 ZINC000191649794 496846302 /nfs/dbraw/zinc/84/63/02/496846302.db2.gz AEIZNEZOPPXNRO-UHFFFAOYSA-N 1 1 365.393 3.419 20 5 FGBDMO CC(C)C[C@@]1(CO)CCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000191670192 496851584 /nfs/dbraw/zinc/85/15/84/496851584.db2.gz XFBFDSIJQUNQND-GOSISDBHSA-N 1 1 360.414 3.018 20 5 FGBDMO CC(C)C[C@]1(CO)CCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000191670175 496851637 /nfs/dbraw/zinc/85/16/37/496851637.db2.gz XFBFDSIJQUNQND-SFHVURJKSA-N 1 1 360.414 3.018 20 5 FGBDMO CC(C)CO[C@H]1CC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000247774681 496913527 /nfs/dbraw/zinc/91/35/27/496913527.db2.gz WQCQPLYIUATEJR-CJNGLKHVSA-N 1 1 360.414 3.453 20 5 FGBDMO CC(C)CO[C@H]1CC[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000247774681 496913532 /nfs/dbraw/zinc/91/35/32/496913532.db2.gz WQCQPLYIUATEJR-CJNGLKHVSA-N 1 1 360.414 3.453 20 5 FGBDMO Cc1sc(C(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)cc1[N+](=O)[O-] ZINC000278037360 496980971 /nfs/dbraw/zinc/98/09/71/496980971.db2.gz HVNFOYDRMRJCPO-UHFFFAOYSA-N 1 1 361.423 3.352 20 5 FGBDMO C[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000273997791 496986449 /nfs/dbraw/zinc/98/64/49/496986449.db2.gz SLVOSQBLHBWGKY-NHYWBVRUSA-N 1 1 365.796 3.282 20 5 FGBDMO C[N@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000273997791 496986452 /nfs/dbraw/zinc/98/64/52/496986452.db2.gz SLVOSQBLHBWGKY-NHYWBVRUSA-N 1 1 365.796 3.282 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC000192244511 497046436 /nfs/dbraw/zinc/04/64/36/497046436.db2.gz FAUAWOSHAXBBFU-INIZCTEOSA-N 1 1 362.813 3.046 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000192244511 497046439 /nfs/dbraw/zinc/04/64/39/497046439.db2.gz FAUAWOSHAXBBFU-INIZCTEOSA-N 1 1 362.813 3.046 20 5 FGBDMO COc1cc(C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)c([N+](=O)[O-])cc1F ZINC000274280633 497058828 /nfs/dbraw/zinc/05/88/28/497058828.db2.gz DABJSVKHSRSIBZ-SSINHNECSA-N 1 1 366.414 3.331 20 5 FGBDMO CCn1nc(C)c([N+](=O)[O-])c1N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192637566 497170912 /nfs/dbraw/zinc/17/09/12/497170912.db2.gz VNJVNOQEJZYWDL-KRWDZBQOSA-N 1 1 357.458 3.078 20 5 FGBDMO COc1ccc(C[N@@H+](C)CCc2nc(-c3ccccc3)no2)cc1[N+](=O)[O-] ZINC000265878999 497200171 /nfs/dbraw/zinc/20/01/71/497200171.db2.gz XTDSLPSHVIZXAE-UHFFFAOYSA-N 1 1 368.393 3.328 20 5 FGBDMO CCOCCC[N@H+]1CC[C@H](NCc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000249508972 497213902 /nfs/dbraw/zinc/21/39/02/497213902.db2.gz ZHBUADPLTLZGNM-YOEHRIQHSA-N 1 1 369.893 3.475 20 5 FGBDMO O=C(Nc1ccc(O)cc1)C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000265978576 497222831 /nfs/dbraw/zinc/22/28/31/497222831.db2.gz DBXSWFDWWDIILW-UHFFFAOYSA-N 1 1 361.423 3.213 20 5 FGBDMO CC[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](C)c1cccc(OC)c1 ZINC000249707722 497233991 /nfs/dbraw/zinc/23/39/91/497233991.db2.gz BOPYPFZNAWLFSR-CRAIPNDOSA-N 1 1 374.437 3.426 20 5 FGBDMO Cn1cc(C[N@H+]2CCCC3(CCOCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000271184219 497283695 /nfs/dbraw/zinc/28/36/95/497283695.db2.gz MFJWKLQWCGYTCT-UHFFFAOYSA-N 1 1 370.453 3.388 20 5 FGBDMO C[C@@H]1C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H]1c1ccccc1 ZINC000245439756 497406282 /nfs/dbraw/zinc/40/62/82/497406282.db2.gz TVVZCDRNVTUCPI-JLTOFOAXSA-N 1 1 351.406 3.177 20 5 FGBDMO C[C@@H]1C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H]1c1ccccc1 ZINC000245439756 497406284 /nfs/dbraw/zinc/40/62/84/497406284.db2.gz TVVZCDRNVTUCPI-JLTOFOAXSA-N 1 1 351.406 3.177 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCS[C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000245453064 497414309 /nfs/dbraw/zinc/41/43/09/497414309.db2.gz QXDZRJOFHKCNPS-CZUORRHYSA-N 1 1 351.472 3.304 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCS[C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000245453064 497414316 /nfs/dbraw/zinc/41/43/16/497414316.db2.gz QXDZRJOFHKCNPS-CZUORRHYSA-N 1 1 351.472 3.304 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c1 ZINC000245463797 497419001 /nfs/dbraw/zinc/41/90/01/497419001.db2.gz XQDZLBFJJGZHKZ-KGLIPLIRSA-N 1 1 363.483 3.404 20 5 FGBDMO O=[N+]([O-])c1cnc(N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)s1 ZINC000190310833 497432334 /nfs/dbraw/zinc/43/23/34/497432334.db2.gz IHOMCJZJIQIECO-UHFFFAOYSA-N 1 1 352.847 3.417 20 5 FGBDMO O=[N+]([O-])c1cnc(N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)s1 ZINC000190310833 497432337 /nfs/dbraw/zinc/43/23/37/497432337.db2.gz IHOMCJZJIQIECO-UHFFFAOYSA-N 1 1 352.847 3.417 20 5 FGBDMO CNC(=O)c1ccc(SCC[N@@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000193745549 497465970 /nfs/dbraw/zinc/46/59/70/497465970.db2.gz JPRDDZYFBZQQNM-UHFFFAOYSA-N 1 1 359.451 3.179 20 5 FGBDMO Cc1sc(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000262073375 497503367 /nfs/dbraw/zinc/50/33/67/497503367.db2.gz WYTSDVPLXUPMJO-CQSZACIVSA-N 1 1 365.842 3.405 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@]2(C)CCCO)c([N+](=O)[O-])cc1OC(F)F ZINC000272008481 497510430 /nfs/dbraw/zinc/51/04/30/497510430.db2.gz JSVJDQQKUCRFLA-QGZVFWFLSA-N 1 1 374.384 3.332 20 5 FGBDMO C[N@@H+]1CC[C@H](NC(=O)c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000245802872 497542342 /nfs/dbraw/zinc/54/23/42/497542342.db2.gz BAJSRQJBBJOODQ-DOTOQJQBSA-N 1 1 359.813 3.423 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000245802872 497542345 /nfs/dbraw/zinc/54/23/45/497542345.db2.gz BAJSRQJBBJOODQ-DOTOQJQBSA-N 1 1 359.813 3.423 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000267495578 497567487 /nfs/dbraw/zinc/56/74/87/497567487.db2.gz XBLSLESDXTYZPV-QFBILLFUSA-N 1 1 367.449 3.164 20 5 FGBDMO CCS(=O)(=O)CCCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000276466964 497581417 /nfs/dbraw/zinc/58/14/17/497581417.db2.gz XTJQLEOHSGNWBY-UHFFFAOYSA-N 1 1 354.472 3.164 20 5 FGBDMO CCS(=O)(=O)CCCCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000276466964 497581423 /nfs/dbraw/zinc/58/14/23/497581423.db2.gz XTJQLEOHSGNWBY-UHFFFAOYSA-N 1 1 354.472 3.164 20 5 FGBDMO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272342358 497602651 /nfs/dbraw/zinc/60/26/51/497602651.db2.gz YZAYDHUBCWGVJI-APWZRJJASA-N 1 1 367.449 3.164 20 5 FGBDMO COc1ccccc1CC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272520549 497650312 /nfs/dbraw/zinc/65/03/12/497650312.db2.gz LERJNIQGCMTTLU-IBGZPJMESA-N 1 1 366.421 3.259 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000194712308 497746862 /nfs/dbraw/zinc/74/68/62/497746862.db2.gz SJHIVWHYFWZSJJ-QGZVFWFLSA-N 1 1 353.422 3.298 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCCC[C@@H](SC)C1 ZINC000246500660 497754858 /nfs/dbraw/zinc/75/48/58/497754858.db2.gz HRHNSLDGUIEGII-GXTWGEPZSA-N 1 1 367.471 3.148 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCCC[C@@H](SC)C1 ZINC000246500660 497754865 /nfs/dbraw/zinc/75/48/65/497754865.db2.gz HRHNSLDGUIEGII-GXTWGEPZSA-N 1 1 367.471 3.148 20 5 FGBDMO CCO[C@H]1C[C@H]([NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C12CCC2 ZINC000295828984 497822576 /nfs/dbraw/zinc/82/25/76/497822576.db2.gz CHXVCFUQLSPKDT-GJZGRUSLSA-N 1 1 358.398 3.082 20 5 FGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000581218217 505936539 /nfs/dbraw/zinc/93/65/39/505936539.db2.gz OULHDOLXNWRMNL-ZFYLUOEISA-N 1 1 358.360 3.491 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000575188429 505939193 /nfs/dbraw/zinc/93/91/93/505939193.db2.gz YNDJIKHTSXIXFC-HNNXBMFYSA-N 1 1 371.437 3.244 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000295962864 497870258 /nfs/dbraw/zinc/87/02/58/497870258.db2.gz MUXYCLJTLXRBTM-INIZCTEOSA-N 1 1 354.410 3.116 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000295962864 497870265 /nfs/dbraw/zinc/87/02/65/497870265.db2.gz MUXYCLJTLXRBTM-INIZCTEOSA-N 1 1 354.410 3.116 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@@H]3[C@@H]3CCCO3)o2)c1 ZINC000284753882 497889182 /nfs/dbraw/zinc/88/91/82/497889182.db2.gz LOWRZSUGBBVLKH-SJORKVTESA-N 1 1 357.410 3.436 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1F ZINC000288775816 497896643 /nfs/dbraw/zinc/89/66/43/497896643.db2.gz JZQHXEXWINTUBQ-LJQANCHMSA-N 1 1 362.376 3.300 20 5 FGBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccccc3F)C2)c1 ZINC000364331160 497903097 /nfs/dbraw/zinc/90/30/97/497903097.db2.gz YCIDEKSWJISVQK-CQSZACIVSA-N 1 1 370.388 3.158 20 5 FGBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3c[nH]nc3-c3ccccc3F)C2)c1 ZINC000364331160 497903107 /nfs/dbraw/zinc/90/31/07/497903107.db2.gz YCIDEKSWJISVQK-CQSZACIVSA-N 1 1 370.388 3.158 20 5 FGBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](Cc3c(C4CC4)nc4sccn34)C2)c1 ZINC000364341188 497908298 /nfs/dbraw/zinc/90/82/98/497908298.db2.gz TXOARXRBEXZZQJ-CYBMUJFWSA-N 1 1 372.454 3.215 20 5 FGBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3c(C4CC4)nc4sccn34)C2)c1 ZINC000364341188 497908305 /nfs/dbraw/zinc/90/83/05/497908305.db2.gz TXOARXRBEXZZQJ-CYBMUJFWSA-N 1 1 372.454 3.215 20 5 FGBDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000299723784 497908928 /nfs/dbraw/zinc/90/89/28/497908928.db2.gz TVKUGBYPBKZDPX-INIZCTEOSA-N 1 1 357.414 3.100 20 5 FGBDMO CC[C@@H](c1ccncc1)[N@@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000299728051 497910380 /nfs/dbraw/zinc/91/03/80/497910380.db2.gz VQGGSFGLWJRIJF-KRWDZBQOSA-N 1 1 372.425 3.410 20 5 FGBDMO Cc1cc(N[C@H]2CC[N@H+]3CCCC[C@@H]23)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301123013 497961911 /nfs/dbraw/zinc/96/19/11/497961911.db2.gz RPXPEENRIDNUJH-IRXDYDNUSA-N 1 1 353.426 3.399 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000292382450 497994791 /nfs/dbraw/zinc/99/47/91/497994791.db2.gz RSSFSQBBBZJSKJ-GOEBONIOSA-N 1 1 374.485 3.036 20 5 FGBDMO COc1cccc([C@@H](C)[NH+]2CCN(c3nccc(C)c3[N+](=O)[O-])CC2)c1 ZINC000301264851 498028958 /nfs/dbraw/zinc/02/89/58/498028958.db2.gz GGDIJBLOCLLFOA-OAHLLOKOSA-N 1 1 356.426 3.190 20 5 FGBDMO O=C(CC[N@@H+]1CC[C@H](O)c2ccccc2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000364627551 498057002 /nfs/dbraw/zinc/05/70/02/498057002.db2.gz DCHXLDCTMUPESD-SFHVURJKSA-N 1 1 373.384 3.002 20 5 FGBDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000285404638 498074632 /nfs/dbraw/zinc/07/46/32/498074632.db2.gz BCCACCAIAUQVOO-CZUORRHYSA-N 1 1 360.414 3.160 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCCn1cc[nH+]c1C ZINC000281280826 498087818 /nfs/dbraw/zinc/08/78/18/498087818.db2.gz BUQVVUICHBGNOK-UHFFFAOYSA-N 1 1 361.402 3.052 20 5 FGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H](c2ccccc2)C2(CO)CCC2)c([N+](=O)[O-])c1 ZINC000292651862 498094460 /nfs/dbraw/zinc/09/44/60/498094460.db2.gz IAMHCYBQMFBZOJ-GOSISDBHSA-N 1 1 371.393 3.497 20 5 FGBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000575524374 505979240 /nfs/dbraw/zinc/97/92/40/505979240.db2.gz COOHEISLOKSDQD-NSHDSACASA-N 1 1 359.373 3.046 20 5 FGBDMO CC(C)NC(=O)c1ccc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c([N+](=O)[O-])c1 ZINC000301447910 498114678 /nfs/dbraw/zinc/11/46/78/498114678.db2.gz ZEFBOZRQURPSTN-SJORKVTESA-N 1 1 374.485 3.185 20 5 FGBDMO CC(C)n1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000581411737 505982355 /nfs/dbraw/zinc/98/23/55/505982355.db2.gz SSZVUXFZZPTVHU-QGZVFWFLSA-N 1 1 370.457 3.109 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000289440990 498147572 /nfs/dbraw/zinc/14/75/72/498147572.db2.gz DTSBFRCFFIBMRP-PKOBYXMFSA-N 1 1 373.453 3.265 20 5 FGBDMO CC(C)c1[nH]nc(C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000281478002 498164673 /nfs/dbraw/zinc/16/46/73/498164673.db2.gz GQCDNHMTYMRLEH-UHFFFAOYSA-N 1 1 365.821 3.409 20 5 FGBDMO Cc1c(NC(=O)CC[NH2+][C@H](C)c2c(F)cncc2F)cccc1[N+](=O)[O-] ZINC000285668454 498165321 /nfs/dbraw/zinc/16/53/21/498165321.db2.gz MNBGLQWZVQVUAS-LLVKDONJSA-N 1 1 364.352 3.256 20 5 FGBDMO Cc1c(Cc2noc([C@H]3CCC[N@H+]3C3CCOCC3)n2)cccc1[N+](=O)[O-] ZINC000364853832 498174463 /nfs/dbraw/zinc/17/44/63/498174463.db2.gz MBQGAMVJXJVMFX-QGZVFWFLSA-N 1 1 372.425 3.193 20 5 FGBDMO COc1cc(N2CC[NH+](Cc3cccs3)CC2)c([N+](=O)[O-])cc1F ZINC000301617544 498190527 /nfs/dbraw/zinc/19/05/27/498190527.db2.gz KNZNDQVEXMLGAE-UHFFFAOYSA-N 1 1 351.403 3.126 20 5 FGBDMO CNC(=O)c1ccc(N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000301620307 498191458 /nfs/dbraw/zinc/19/14/58/498191458.db2.gz MJJHPOKRLRASIJ-RHSMWYFYSA-N 1 1 368.437 3.029 20 5 FGBDMO CNC(=O)c1ccc(N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000301620309 498191693 /nfs/dbraw/zinc/19/16/93/498191693.db2.gz MJJHPOKRLRASIJ-WMLDXEAASA-N 1 1 368.437 3.029 20 5 FGBDMO CC[C@H](Nc1ccc([N+](=O)[O-])c(C)n1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000301661821 498211372 /nfs/dbraw/zinc/21/13/72/498211372.db2.gz MWQFEYHPGJPRBU-PKOBYXMFSA-N 1 1 370.453 3.390 20 5 FGBDMO CC[C@H](Nc1ccc([N+](=O)[O-])c(C)n1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000301661821 498211379 /nfs/dbraw/zinc/21/13/79/498211379.db2.gz MWQFEYHPGJPRBU-PKOBYXMFSA-N 1 1 370.453 3.390 20 5 FGBDMO CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCCc2cccnc21 ZINC000364999937 498247405 /nfs/dbraw/zinc/24/74/05/498247405.db2.gz PPDYKSGPKLFDKN-KRWDZBQOSA-N 1 1 354.410 3.328 20 5 FGBDMO CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCCc2cccnc21 ZINC000364999937 498247409 /nfs/dbraw/zinc/24/74/09/498247409.db2.gz PPDYKSGPKLFDKN-KRWDZBQOSA-N 1 1 354.410 3.328 20 5 FGBDMO CN(C(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286054232 498279148 /nfs/dbraw/zinc/27/91/48/498279148.db2.gz BALWXVGYLBPLOY-LYEGFCJJSA-N 1 1 363.845 3.345 20 5 FGBDMO COc1cc(C[N@@H+](C)C[C@@H](C)OC)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000289759095 498280370 /nfs/dbraw/zinc/28/03/70/498280370.db2.gz QWWXUFMNIARDEI-SNVBAGLBSA-N 1 1 366.336 3.011 20 5 FGBDMO COc1cc(C[N@H+](C)C[C@@H](C)OC)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000289759095 498280377 /nfs/dbraw/zinc/28/03/77/498280377.db2.gz QWWXUFMNIARDEI-SNVBAGLBSA-N 1 1 366.336 3.011 20 5 FGBDMO CCOC(=O)c1ccnc(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000301848135 498291503 /nfs/dbraw/zinc/29/15/03/498291503.db2.gz VGYDDJFJNSSDLE-HZPDHXFCSA-N 1 1 370.409 3.024 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286213750 498326971 /nfs/dbraw/zinc/32/69/71/498326971.db2.gz NAKUIYMTUHRDEW-PBWFPOADSA-N 1 1 351.834 3.254 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000301947123 498340416 /nfs/dbraw/zinc/34/04/16/498340416.db2.gz HJCGFHJMQAZOFY-OAHLLOKOSA-N 1 1 372.473 3.118 20 5 FGBDMO Cc1ccc(NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000302051951 498385131 /nfs/dbraw/zinc/38/51/31/498385131.db2.gz OMZKDURDTLKUFQ-GOSISDBHSA-N 1 1 355.438 3.472 20 5 FGBDMO Cc1cc(N(C)CC(C)(C)CN2CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302062021 498390435 /nfs/dbraw/zinc/39/04/35/498390435.db2.gz CTZQXCNDJMSJQR-UHFFFAOYSA-N 1 1 372.469 3.246 20 5 FGBDMO COc1ccc(NC(=O)[C@H]2CCCN(c3ccc(C)c[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000365295981 498392628 /nfs/dbraw/zinc/39/26/28/498392628.db2.gz AGHWOAFCGUGWTL-AWEZNQCLSA-N 1 1 370.409 3.162 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000302197331 498438163 /nfs/dbraw/zinc/43/81/63/498438163.db2.gz SZSSREMZJLXYDB-HIFRSBDPSA-N 1 1 361.442 3.446 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CCO)c1ccc(Cl)cc1 ZINC000286665527 498469686 /nfs/dbraw/zinc/46/96/86/498469686.db2.gz BCBHJIUSBNZEAI-MRXNPFEDSA-N 1 1 350.802 3.470 20 5 FGBDMO O=[N+]([O-])c1ccc2c(c1NCc1ccccc1C[NH+]1CCOCC1)CCN2 ZINC000302423774 498482443 /nfs/dbraw/zinc/48/24/43/498482443.db2.gz JOEIMIHXRXEILS-UHFFFAOYSA-N 1 1 368.437 3.007 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000572757506 506045503 /nfs/dbraw/zinc/04/55/03/506045503.db2.gz UOOYFQNBQHZYIY-HXUWFJFHSA-N 1 1 374.412 3.170 20 5 FGBDMO CC[NH+]1CCN(C[C@H](C)CNc2cc(C)nc3c2cccc3[N+](=O)[O-])CC1 ZINC000302698336 498536730 /nfs/dbraw/zinc/53/67/30/498536730.db2.gz WTALWYZFFSAKQZ-OAHLLOKOSA-N 1 1 371.485 3.137 20 5 FGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)cc1F ZINC000282546838 498553675 /nfs/dbraw/zinc/55/36/75/498553675.db2.gz SAPUFXLFVASHNX-UHFFFAOYSA-N 1 1 359.405 3.041 20 5 FGBDMO Cc1nc(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000312119899 498758649 /nfs/dbraw/zinc/75/86/49/498758649.db2.gz UJFTVYFOFMMMPC-ZWKOTPCHSA-N 1 1 352.438 3.257 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1CC ZINC000332702349 498769528 /nfs/dbraw/zinc/76/95/28/498769528.db2.gz STHJFHFUYJHERY-DZGCQCFKSA-N 1 1 362.430 3.084 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H]2[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000363352983 498776913 /nfs/dbraw/zinc/77/69/13/498776913.db2.gz QKZREDFRKDOWMM-USXIJHARSA-N 1 1 360.458 3.232 20 5 FGBDMO Cc1sc(C(=O)N2C[C@@H]3C[N@H+](C)[C@H](c4ccccc4)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000363418241 498810707 /nfs/dbraw/zinc/81/07/07/498810707.db2.gz FLNMZQZZQMYOIU-HDMKZQKVSA-N 1 1 371.462 3.340 20 5 FGBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000294932421 498853877 /nfs/dbraw/zinc/85/38/77/498853877.db2.gz LBYSGESWFYUBDI-LBPRGKRZSA-N 1 1 373.375 3.418 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(n2cc(Cl)cn2)CC1 ZINC000366605536 498999551 /nfs/dbraw/zinc/99/95/51/498999551.db2.gz CVLMPRXITGMXDR-UHFFFAOYSA-N 1 1 350.806 3.290 20 5 FGBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000288424754 499020482 /nfs/dbraw/zinc/02/04/82/499020482.db2.gz 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/nfs/dbraw/zinc/08/03/72/500080372.db2.gz FJHPHEVAEUHNMM-AWEZNQCLSA-N 1 1 353.382 3.283 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000425420194 500100281 /nfs/dbraw/zinc/10/02/81/500100281.db2.gz KNYWYDZPKAAFGW-OCCSQVGLSA-N 1 1 355.232 3.358 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000425420194 500100286 /nfs/dbraw/zinc/10/02/86/500100286.db2.gz KNYWYDZPKAAFGW-OCCSQVGLSA-N 1 1 355.232 3.358 20 5 FGBDMO CN(C)C(=O)c1ccccc1C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000417716795 500155604 /nfs/dbraw/zinc/15/56/04/500155604.db2.gz JWLQCBVXRUQHNS-UHFFFAOYSA-N 1 1 353.422 3.461 20 5 FGBDMO CN(C)C(=O)c1ccccc1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000417716795 500155611 /nfs/dbraw/zinc/15/56/11/500155611.db2.gz JWLQCBVXRUQHNS-UHFFFAOYSA-N 1 1 353.422 3.461 20 5 FGBDMO CC[N@@H+](Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1)[C@H](C)CO ZINC000430093030 500191248 /nfs/dbraw/zinc/19/12/48/500191248.db2.gz CGWMCOOIVXTEMF-OAHLLOKOSA-N 1 1 374.437 3.385 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000430205648 500209101 /nfs/dbraw/zinc/20/91/01/500209101.db2.gz USRMIHHZAJCKIH-IBGZPJMESA-N 1 1 356.422 3.437 20 5 FGBDMO COC(=O)[C@@H](C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)c1ccccc1 ZINC000430212061 500210220 /nfs/dbraw/zinc/21/02/20/500210220.db2.gz ZCKXLRRYRDZNJZ-UGSOOPFHSA-N 1 1 358.394 3.243 20 5 FGBDMO COc1ccc(C[N@H+]2CCC[C@@H]2COc2cccnc2C)cc1[N+](=O)[O-] ZINC000418144309 500236511 /nfs/dbraw/zinc/23/65/11/500236511.db2.gz SNNLVUKKLUSXRI-MRXNPFEDSA-N 1 1 357.410 3.350 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H]2CCO)cc1OC ZINC000426271401 500255628 /nfs/dbraw/zinc/25/56/28/500255628.db2.gz NZBJWNCSBKPOOO-GOEBONIOSA-N 1 1 366.458 3.375 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCSC[C@H]3C3CCC3)n2)cc1 ZINC000419373751 500358817 /nfs/dbraw/zinc/35/88/17/500358817.db2.gz MZTDIQYBHGKLEP-HNNXBMFYSA-N 1 1 360.439 3.362 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCSC[C@H]3C3CCC3)n2)cc1 ZINC000419373751 500358820 /nfs/dbraw/zinc/35/88/20/500358820.db2.gz MZTDIQYBHGKLEP-HNNXBMFYSA-N 1 1 360.439 3.362 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNc1c(C(N)=O)cccc1[N+](=O)[O-])C1CC1 ZINC000420613100 500477937 /nfs/dbraw/zinc/47/79/37/500477937.db2.gz QKWZPYVQGBEOIR-SFHVURJKSA-N 1 1 368.437 3.016 20 5 FGBDMO C[C@@H]1C[N@H+](CCCCNc2ccnc3c2cccc3[N+](=O)[O-])C[C@H](C)O1 ZINC000432323176 500498981 /nfs/dbraw/zinc/49/89/81/500498981.db2.gz BKWUOYBURPOWNT-GASCZTMLSA-N 1 1 358.442 3.444 20 5 FGBDMO O=[N+]([O-])c1cccc2c(N3CCC[N@H+](Cc4cscn4)CC3)ccnc21 ZINC000432329706 500500057 /nfs/dbraw/zinc/50/00/57/500500057.db2.gz SIQKUBOVWUZJJX-UHFFFAOYSA-N 1 1 369.450 3.312 20 5 FGBDMO O=[N+]([O-])c1cccc2c(N3CCC[N@@H+](Cc4cscn4)CC3)ccnc21 ZINC000432329706 500500061 /nfs/dbraw/zinc/50/00/61/500500061.db2.gz SIQKUBOVWUZJJX-UHFFFAOYSA-N 1 1 369.450 3.312 20 5 FGBDMO CN(c1ccccc1)c1ccc(C[N@H+]2C[C@@H](O)C3(CC3)C2)cc1[N+](=O)[O-] ZINC000428369001 500501182 /nfs/dbraw/zinc/50/11/82/500501182.db2.gz GVSHAWQSVHDHGG-LJQANCHMSA-N 1 1 353.422 3.319 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H](O)C3(CC3)C2)ccc1Oc1ccc(F)cc1 ZINC000428384550 500503540 /nfs/dbraw/zinc/50/35/40/500503540.db2.gz CMSZCTNFWGNHJG-GOSISDBHSA-N 1 1 358.369 3.483 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)ccc1Oc1ccc(F)cc1 ZINC000428384550 500503541 /nfs/dbraw/zinc/50/35/41/500503541.db2.gz CMSZCTNFWGNHJG-GOSISDBHSA-N 1 1 358.369 3.483 20 5 FGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000576621907 506199957 /nfs/dbraw/zinc/19/99/57/506199957.db2.gz BTIVQPCZXBIFGF-HOCLYGCPSA-N 1 1 354.410 3.196 20 5 FGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000576621907 506199958 /nfs/dbraw/zinc/19/99/58/506199958.db2.gz BTIVQPCZXBIFGF-HOCLYGCPSA-N 1 1 354.410 3.196 20 5 FGBDMO C[C@@]12CC[N@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@@H]1C2(F)F ZINC000428732799 500550112 /nfs/dbraw/zinc/55/01/12/500550112.db2.gz BWVBJYULXFJVOH-SWLSCSKDSA-N 1 1 350.325 3.122 20 5 FGBDMO C[C@@]12CC[N@@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@@H]1C2(F)F ZINC000428732799 500550115 /nfs/dbraw/zinc/55/01/15/500550115.db2.gz BWVBJYULXFJVOH-SWLSCSKDSA-N 1 1 350.325 3.122 20 5 FGBDMO COc1ccc(NC(=O)C[N@H+](C)Cc2cccc(C)c2C)c([N+](=O)[O-])c1 ZINC000428735373 500550809 /nfs/dbraw/zinc/55/08/09/500550809.db2.gz DBZVFWQYYYPNEV-UHFFFAOYSA-N 1 1 357.410 3.291 20 5 FGBDMO COc1ccc(NC(=O)C[N@@H+](C)Cc2cccc(C)c2C)c([N+](=O)[O-])c1 ZINC000428735373 500550810 /nfs/dbraw/zinc/55/08/10/500550810.db2.gz DBZVFWQYYYPNEV-UHFFFAOYSA-N 1 1 357.410 3.291 20 5 FGBDMO COC(=O)[C@@]1(c2ccccc2)CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000428810344 500560390 /nfs/dbraw/zinc/56/03/90/500560390.db2.gz XSEZMRSVJIEZBH-QRWLVFNGSA-N 1 1 354.406 3.473 20 5 FGBDMO COc1cc(C[NH+]2CCC(Oc3ncccc3F)CC2)ccc1[N+](=O)[O-] ZINC000447355618 500595442 /nfs/dbraw/zinc/59/54/42/500595442.db2.gz AKEUMFSINBDXTF-UHFFFAOYSA-N 1 1 361.373 3.181 20 5 FGBDMO C[C@@H]1C[N@H+](CCCN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000433093920 500624478 /nfs/dbraw/zinc/62/44/78/500624478.db2.gz WNFKIXLOJLTODW-DNVCBOLYSA-N 1 1 361.486 3.408 20 5 FGBDMO C[C@@H]1C[N@@H+](CCCN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000433093920 500624481 /nfs/dbraw/zinc/62/44/81/500624481.db2.gz WNFKIXLOJLTODW-DNVCBOLYSA-N 1 1 361.486 3.408 20 5 FGBDMO C[C@H]1OCC[C@]1(O)C[N@H+](Cc1ccccc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000447922272 500690610 /nfs/dbraw/zinc/69/06/10/500690610.db2.gz ADRZJEKEVUCUSU-QRWLVFNGSA-N 1 1 374.412 3.276 20 5 FGBDMO C[C@H]1OCC[C@]1(O)C[N@@H+](Cc1ccccc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000447922272 500690611 /nfs/dbraw/zinc/69/06/11/500690611.db2.gz ADRZJEKEVUCUSU-QRWLVFNGSA-N 1 1 374.412 3.276 20 5 FGBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000437829156 500702088 /nfs/dbraw/zinc/70/20/88/500702088.db2.gz OEXQRQQKZYNYFI-INIZCTEOSA-N 1 1 367.405 3.210 20 5 FGBDMO COc1cc(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000437865297 500709668 /nfs/dbraw/zinc/70/96/68/500709668.db2.gz JYBKVEBMWAMWHJ-INIZCTEOSA-N 1 1 361.442 3.130 20 5 FGBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000438286230 500763315 /nfs/dbraw/zinc/76/33/15/500763315.db2.gz SQRCEVLQNJQXQP-OAHLLOKOSA-N 1 1 373.453 3.132 20 5 FGBDMO CCNc1ccc(C(=O)N2CC[N@@H+](C)CC23CCCCC3)cc1[N+](=O)[O-] ZINC000433975353 500774661 /nfs/dbraw/zinc/77/46/61/500774661.db2.gz GBYBYMSJJJWDPE-UHFFFAOYSA-N 1 1 360.458 3.117 20 5 FGBDMO O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000434352903 500830750 /nfs/dbraw/zinc/83/07/50/500830750.db2.gz QKNLCODVJAWUGE-SFHVURJKSA-N 1 1 372.469 3.286 20 5 FGBDMO Cc1ccc([C@@]2(C)CC[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000434748191 500888782 /nfs/dbraw/zinc/88/87/82/500888782.db2.gz NZLSISWFHCRUBZ-NQIIRXRSSA-N 1 1 370.449 3.307 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000434794548 500896196 /nfs/dbraw/zinc/89/61/96/500896196.db2.gz OFBKAPQJNUFBAD-HNNXBMFYSA-N 1 1 355.385 3.303 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@H]2CCCC[N@H+]2C2CC2)c1 ZINC000434794548 500896198 /nfs/dbraw/zinc/89/61/98/500896198.db2.gz OFBKAPQJNUFBAD-HNNXBMFYSA-N 1 1 355.385 3.303 20 5 FGBDMO CCOC(=O)[C@]1(COC)CCC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000439464538 500900274 /nfs/dbraw/zinc/90/02/74/500900274.db2.gz CTQSJJJRGPURRF-HNAYVOBHSA-N 1 1 364.442 3.256 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]CCCC1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000449353532 500984955 /nfs/dbraw/zinc/98/49/55/500984955.db2.gz CPZZZPMCUYRXQB-SFHVURJKSA-N 1 1 358.442 3.214 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]CC(C)(C)c1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000449393086 500992703 /nfs/dbraw/zinc/99/27/03/500992703.db2.gz ATHOJGRPZSWEEJ-SFHVURJKSA-N 1 1 365.437 3.380 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@H](O)C[C@H]3[C@@H]3CCCOC3)o2)cc1 ZINC000449431944 501002298 /nfs/dbraw/zinc/00/22/98/501002298.db2.gz FDXSLRAYTIEGQG-SUMDDJOVSA-N 1 1 372.421 3.217 20 5 FGBDMO CCO[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000449501749 501019752 /nfs/dbraw/zinc/01/97/52/501019752.db2.gz WBPKKNZAHKMYHJ-RDTXWAMCSA-N 1 1 358.442 3.242 20 5 FGBDMO CCOc1ccccc1C[N@@H+]1CCN(c2cc(C)c([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000440669490 501037243 /nfs/dbraw/zinc/03/72/43/501037243.db2.gz MBECFNFXMYYSCN-INIZCTEOSA-N 1 1 370.453 3.408 20 5 FGBDMO CCOc1ccccc1C[N@H+]1CCN(c2cc(C)c([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000440669490 501037244 /nfs/dbraw/zinc/03/72/44/501037244.db2.gz MBECFNFXMYYSCN-INIZCTEOSA-N 1 1 370.453 3.408 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000441048093 501079642 /nfs/dbraw/zinc/07/96/42/501079642.db2.gz QWPQNHUKYOTHIU-IFXJQAMLSA-N 1 1 369.421 3.166 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000441048093 501079644 /nfs/dbraw/zinc/07/96/44/501079644.db2.gz QWPQNHUKYOTHIU-IFXJQAMLSA-N 1 1 369.421 3.166 20 5 FGBDMO COc1ccc(OCC[N@@H+](C)[C@@H](C)[C@H]2Cc3ccccc3O2)c([N+](=O)[O-])c1 ZINC000441056446 501081707 /nfs/dbraw/zinc/08/17/07/501081707.db2.gz YLQJNTYJSMFNRM-VBKZILBWSA-N 1 1 372.421 3.306 20 5 FGBDMO COc1ccc(OCC[N@@H+](C)Cc2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000441180548 501099447 /nfs/dbraw/zinc/09/94/47/501099447.db2.gz RHXHVBADBYRDDC-UHFFFAOYSA-N 1 1 352.337 3.392 20 5 FGBDMO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000436407491 501121834 /nfs/dbraw/zinc/12/18/34/501121834.db2.gz TVUQVNMRMAJLSI-AAEUAGOBSA-N 1 1 370.375 3.462 20 5 FGBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446840274 501171887 /nfs/dbraw/zinc/17/18/87/501171887.db2.gz YDFWCRSVKRQOBU-KUHUBIRLSA-N 1 1 365.437 3.081 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446840274 501171889 /nfs/dbraw/zinc/17/18/89/501171889.db2.gz YDFWCRSVKRQOBU-KUHUBIRLSA-N 1 1 365.437 3.081 20 5 FGBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446840272 501171973 /nfs/dbraw/zinc/17/19/73/501171973.db2.gz YDFWCRSVKRQOBU-AUUYWEPGSA-N 1 1 365.437 3.081 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446840272 501171975 /nfs/dbraw/zinc/17/19/75/501171975.db2.gz YDFWCRSVKRQOBU-AUUYWEPGSA-N 1 1 365.437 3.081 20 5 FGBDMO CC[N@@H+](C)Cc1cccc(CNc2ccc(CC(=O)OC)cc2[N+](=O)[O-])c1 ZINC000450267211 501222207 /nfs/dbraw/zinc/22/22/07/501222207.db2.gz BLOXQZKTLLVSFX-UHFFFAOYSA-N 1 1 371.437 3.374 20 5 FGBDMO C[C@](CO)([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1cccc(O)c1 ZINC000451043690 501241502 /nfs/dbraw/zinc/24/15/02/501241502.db2.gz UAOVJZOSUSAOPP-MRXNPFEDSA-N 1 1 370.327 3.317 20 5 FGBDMO Cc1c(NC(=O)CCn2c[nH+]c3c2C[C@H](C)[C@@H](C)C3)cccc1[N+](=O)[O-] ZINC000451342322 501269801 /nfs/dbraw/zinc/26/98/01/501269801.db2.gz NQUARWSWCNEYFY-STQMWFEESA-N 1 1 356.426 3.499 20 5 FGBDMO COc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])cc1F ZINC000451343893 501270512 /nfs/dbraw/zinc/27/05/12/501270512.db2.gz AAJDQYXIICTDLM-YSVLISHTSA-N 1 1 352.406 3.258 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451374918 501278283 /nfs/dbraw/zinc/27/82/83/501278283.db2.gz UFYADKNIUCVXPP-KGZPDETFSA-N 1 1 371.437 3.076 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451374919 501278384 /nfs/dbraw/zinc/27/83/84/501278384.db2.gz UFYADKNIUCVXPP-URYASSDKSA-N 1 1 371.437 3.076 20 5 FGBDMO COc1c(C)c[nH+]c(CN(C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1C ZINC000451373464 501278390 /nfs/dbraw/zinc/27/83/90/501278390.db2.gz INLIEVZVFXOGTL-UHFFFAOYSA-N 1 1 355.398 3.124 20 5 FGBDMO CC[C@H]1C[N@@H+](CC)CCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000451734996 501363162 /nfs/dbraw/zinc/36/31/62/501363162.db2.gz XSGULABOVYSPLD-INIZCTEOSA-N 1 1 358.442 3.208 20 5 FGBDMO CC[C@H]1CN(CC)CC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000451734996 501363163 /nfs/dbraw/zinc/36/31/63/501363163.db2.gz XSGULABOVYSPLD-INIZCTEOSA-N 1 1 358.442 3.208 20 5 FGBDMO CC[C@H]1CN(CC)CC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000451734996 501363164 /nfs/dbraw/zinc/36/31/64/501363164.db2.gz XSGULABOVYSPLD-INIZCTEOSA-N 1 1 358.442 3.208 20 5 FGBDMO CO[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C12CCC2 ZINC000451863554 501388659 /nfs/dbraw/zinc/38/86/59/501388659.db2.gz YWFUBXBLDKHXIM-DLBZAZTESA-N 1 1 361.442 3.121 20 5 FGBDMO COC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000452075869 501430484 /nfs/dbraw/zinc/43/04/84/501430484.db2.gz DOMHWHODOXZDRB-CHWSQXEVSA-N 1 1 369.849 3.324 20 5 FGBDMO COC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000452075869 501430487 /nfs/dbraw/zinc/43/04/87/501430487.db2.gz DOMHWHODOXZDRB-CHWSQXEVSA-N 1 1 369.849 3.324 20 5 FGBDMO C[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456335134 501501396 /nfs/dbraw/zinc/50/13/96/501501396.db2.gz MNIIBUMAQVWJFC-QGZVFWFLSA-N 1 1 367.449 3.118 20 5 FGBDMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000456373331 501511482 /nfs/dbraw/zinc/51/14/82/501511482.db2.gz IGRZCPWVPRGKJJ-CYBMUJFWSA-N 1 1 359.348 3.170 20 5 FGBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000456373331 501511485 /nfs/dbraw/zinc/51/14/85/501511485.db2.gz IGRZCPWVPRGKJJ-CYBMUJFWSA-N 1 1 359.348 3.170 20 5 FGBDMO O=[N+]([O-])c1cccc(Br)c1N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000596101453 506258264 /nfs/dbraw/zinc/25/82/64/506258264.db2.gz KNQQRVGVWDGBAJ-UHFFFAOYSA-N 1 1 351.204 3.464 20 5 FGBDMO CC[N@@H+](CCNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C(C)C ZINC000454464745 501551933 /nfs/dbraw/zinc/55/19/33/501551933.db2.gz JZZJMBHBKCPNMM-QGZVFWFLSA-N 1 1 362.474 3.214 20 5 FGBDMO C[C@H](C(=O)N1CC[NH2+][C@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000457028794 501637120 /nfs/dbraw/zinc/63/71/20/501637120.db2.gz QRHDZKCJEPPNRS-UGSOOPFHSA-N 1 1 357.385 3.011 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCCC1(C)C ZINC000457060380 501642923 /nfs/dbraw/zinc/64/29/23/501642923.db2.gz SBWXHJWIQTVSOV-UHFFFAOYSA-N 1 1 351.472 3.311 20 5 FGBDMO C[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000455096409 501687343 /nfs/dbraw/zinc/68/73/43/501687343.db2.gz RPYVKMIHGRSXBZ-YJBOKZPZSA-N 1 1 368.437 3.230 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000459657128 501693998 /nfs/dbraw/zinc/69/39/98/501693998.db2.gz FDSSIGXFFNMAFG-KCXAZCMYSA-N 1 1 370.409 3.207 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000459657128 501693999 /nfs/dbraw/zinc/69/39/99/501693999.db2.gz FDSSIGXFFNMAFG-KCXAZCMYSA-N 1 1 370.409 3.207 20 5 FGBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC3(CCCCC3)[C@@H]2c2ccccc2)c1 ZINC000459760209 501710260 /nfs/dbraw/zinc/71/02/60/501710260.db2.gz WPYFPYFTZYOBEG-MOPGFXCFSA-N 1 1 370.453 3.160 20 5 FGBDMO CCCN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CC[N@@H+](C)C1 ZINC000592832720 506270727 /nfs/dbraw/zinc/27/07/27/506270727.db2.gz VNNQLRQLRVZKEM-HNNXBMFYSA-N 1 1 374.466 3.275 20 5 FGBDMO COc1ncc(Br)cc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000599004970 506273635 /nfs/dbraw/zinc/27/36/35/506273635.db2.gz WYJBSNPTXWUIJP-UHFFFAOYSA-N 1 1 366.215 3.359 20 5 FGBDMO CN(c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000485394568 501808611 /nfs/dbraw/zinc/80/86/11/501808611.db2.gz IOUIIUYHSHVNJB-INIZCTEOSA-N 1 1 356.401 3.469 20 5 FGBDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000481739016 501870728 /nfs/dbraw/zinc/87/07/28/501870728.db2.gz HZHDNPIRDYWOAV-AWEZNQCLSA-N 1 1 356.426 3.085 20 5 FGBDMO CSc1cccc(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000485730187 501917749 /nfs/dbraw/zinc/91/77/49/501917749.db2.gz DOQARAIIYZBWOZ-CHWSQXEVSA-N 1 1 351.472 3.309 20 5 FGBDMO O=C1[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCN1C1CCC1 ZINC000599020580 506281731 /nfs/dbraw/zinc/28/17/31/506281731.db2.gz TVBQGIKDEDTRJV-KRWDZBQOSA-N 1 1 355.394 3.098 20 5 FGBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000460884653 501950503 /nfs/dbraw/zinc/95/05/03/501950503.db2.gz QFFSFSVYJOGFAB-LBPRGKRZSA-N 1 1 356.854 3.168 20 5 FGBDMO COC(=O)c1c(Cl)c(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000596157319 506284946 /nfs/dbraw/zinc/28/49/46/506284946.db2.gz YFFANKOTKYIOFO-NXEZZACHSA-N 1 1 353.806 3.072 20 5 FGBDMO Cc1cc(C)c2c(c1)C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC2 ZINC000485861029 501965592 /nfs/dbraw/zinc/96/55/92/501965592.db2.gz FVDLWLRCXHOTQO-QGZVFWFLSA-N 1 1 356.422 3.010 20 5 FGBDMO C[C@H]1CC[C@H](C[NH+]2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)O1 ZINC000475050030 502036974 /nfs/dbraw/zinc/03/69/74/502036974.db2.gz UBUQESNQVWUYPW-GXTWGEPZSA-N 1 1 373.375 3.303 20 5 FGBDMO CC[N@@H+](C)[C@H](C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000461415364 502105009 /nfs/dbraw/zinc/10/50/09/502105009.db2.gz XAZRJJGCSBPSIU-IBGZPJMESA-N 1 1 369.421 3.009 20 5 FGBDMO C[N@@H+](CCOCc1ccccc1)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000464851541 502121446 /nfs/dbraw/zinc/12/14/46/502121446.db2.gz PNFWFWZTXMZIQF-UHFFFAOYSA-N 1 1 357.410 3.072 20 5 FGBDMO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)CCO2 ZINC000475294430 502123819 /nfs/dbraw/zinc/12/38/19/502123819.db2.gz YKQMWTOALQVUFR-AUUYWEPGSA-N 1 1 358.394 3.235 20 5 FGBDMO C[C@H]1OCC[C@@]12C[N@@H+](Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)CCO2 ZINC000475294430 502123822 /nfs/dbraw/zinc/12/38/22/502123822.db2.gz YKQMWTOALQVUFR-AUUYWEPGSA-N 1 1 358.394 3.235 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475301059 502125012 /nfs/dbraw/zinc/12/50/12/502125012.db2.gz KGHQOCPDWKSWIQ-GOSISDBHSA-N 1 1 353.422 3.250 20 5 FGBDMO Cc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000475314434 502131136 /nfs/dbraw/zinc/13/11/36/502131136.db2.gz UHKSPNXLBUTQLI-GOSISDBHSA-N 1 1 353.422 3.250 20 5 FGBDMO CCC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000475353731 502147013 /nfs/dbraw/zinc/14/70/13/502147013.db2.gz LAIMUZRAMCZILI-HZPDHXFCSA-N 1 1 350.463 3.278 20 5 FGBDMO Cc1cc(NCc2ccc(C[NH+]3CCN(C)CC3)cc2)c(F)cc1[N+](=O)[O-] ZINC000461772777 502197096 /nfs/dbraw/zinc/19/70/96/502197096.db2.gz CDCWDGKYBGXGDP-UHFFFAOYSA-N 1 1 372.444 3.402 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000475524503 502203727 /nfs/dbraw/zinc/20/37/27/502203727.db2.gz AHUXASIKPMWSPF-NSHDSACASA-N 1 1 352.797 3.328 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000475524503 502203733 /nfs/dbraw/zinc/20/37/33/502203733.db2.gz AHUXASIKPMWSPF-NSHDSACASA-N 1 1 352.797 3.328 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+](CC)C1 ZINC000486608916 502207777 /nfs/dbraw/zinc/20/77/77/502207777.db2.gz WKFAYKGCYQUHIV-ZDUSSCGKSA-N 1 1 351.472 3.169 20 5 FGBDMO COc1cc(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])cc1C ZINC000596189102 506299520 /nfs/dbraw/zinc/29/95/20/506299520.db2.gz FCTSISBFUQKWND-QGZVFWFLSA-N 1 1 371.437 3.091 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@H]2CCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000475561042 502212619 /nfs/dbraw/zinc/21/26/19/502212619.db2.gz PZHFPCDOPALVSU-AWEZNQCLSA-N 1 1 350.415 3.157 20 5 FGBDMO C[N@H+](CC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000479380399 502240743 /nfs/dbraw/zinc/24/07/43/502240743.db2.gz SUYSNEQGUORVIX-UHFFFAOYSA-N 1 1 361.829 3.039 20 5 FGBDMO C[N@@H+](CC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000479380399 502240749 /nfs/dbraw/zinc/24/07/49/502240749.db2.gz SUYSNEQGUORVIX-UHFFFAOYSA-N 1 1 361.829 3.039 20 5 FGBDMO Cc1cc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c(F)cc1[N+](=O)[O-] ZINC000461948208 502249045 /nfs/dbraw/zinc/24/90/45/502249045.db2.gz MDYYMEGHPCDMQW-FUHWJXTLSA-N 1 1 373.428 3.337 20 5 FGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@@H]1c1nc2ccccc2n1C ZINC000602792340 506302337 /nfs/dbraw/zinc/30/23/37/506302337.db2.gz OOBLRCUAWXOQOJ-QGZVFWFLSA-N 1 1 368.441 3.214 20 5 FGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC[C@@H]1c1nc2ccccc2n1C ZINC000602792340 506302341 /nfs/dbraw/zinc/30/23/41/506302341.db2.gz OOBLRCUAWXOQOJ-QGZVFWFLSA-N 1 1 368.441 3.214 20 5 FGBDMO CCC[C@H]1CCC[N@@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000475722466 502264548 /nfs/dbraw/zinc/26/45/48/502264548.db2.gz KQLDWUCHNVUAJJ-AWEZNQCLSA-N 1 1 350.415 3.159 20 5 FGBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc([N+](=O)[O-])c2OC)C1 ZINC000475911943 502329904 /nfs/dbraw/zinc/32/99/04/502329904.db2.gz PQSSWSDJMMQAJS-AWEZNQCLSA-N 1 1 363.458 3.234 20 5 FGBDMO CCC(=O)c1ccc(NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000480057987 502459366 /nfs/dbraw/zinc/45/93/66/502459366.db2.gz FCJDDEYRMVLKQW-GASCZTMLSA-N 1 1 363.458 3.489 20 5 FGBDMO CC[C@H]1CN(c2c([N+](=O)[O-])c(C)nn2CC)CC[N@H+]1Cc1ccccc1 ZINC000480120953 502479034 /nfs/dbraw/zinc/47/90/34/502479034.db2.gz SUEVTLMFBZQVCA-KRWDZBQOSA-N 1 1 357.458 3.220 20 5 FGBDMO CC[N@@H+](C)CCNC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000487783306 502529186 /nfs/dbraw/zinc/52/91/86/502529186.db2.gz MKWWWLSBEGTPSW-UHFFFAOYSA-N 1 1 359.451 3.428 20 5 FGBDMO C[C@@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000487813830 502536250 /nfs/dbraw/zinc/53/62/50/502536250.db2.gz BMUUZZRNPMTLBZ-CABCVRRESA-N 1 1 362.474 3.250 20 5 FGBDMO COC(=O)c1coc([C@H](C)[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000602841641 506322202 /nfs/dbraw/zinc/32/22/02/506322202.db2.gz OWSNGTYDGCMKTD-GXTWGEPZSA-N 1 1 359.382 3.310 20 5 FGBDMO COC(=O)c1coc([C@H](C)[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000602841641 506322209 /nfs/dbraw/zinc/32/22/09/506322209.db2.gz OWSNGTYDGCMKTD-GXTWGEPZSA-N 1 1 359.382 3.310 20 5 FGBDMO CCOCC[N@H+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@H]1CC ZINC000462814384 502585595 /nfs/dbraw/zinc/58/55/95/502585595.db2.gz PPSRXZUSTZFEOL-CYBMUJFWSA-N 1 1 373.400 3.133 20 5 FGBDMO COc1cc(N2CC[NH+](C/C=C\c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000462825594 502587759 /nfs/dbraw/zinc/58/77/59/502587759.db2.gz IACSVXWFDCVUNA-YVMONPNESA-N 1 1 353.422 3.439 20 5 FGBDMO C[C@@H]1C[NH+](C[C@H]2CCCN2c2nc3ccccc3cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000473513750 502617717 /nfs/dbraw/zinc/61/77/17/502617717.db2.gz PJIIAQVHSFKSEE-BFYDXBDKSA-N 1 1 370.453 3.221 20 5 FGBDMO CCC[C@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000488107512 502628715 /nfs/dbraw/zinc/62/87/15/502628715.db2.gz RJVKWHVBYVUYNB-HNNXBMFYSA-N 1 1 358.442 3.080 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000462986492 502651005 /nfs/dbraw/zinc/65/10/05/502651005.db2.gz GQPBIUCCACWUBM-MSOLQXFVSA-N 1 1 361.486 3.496 20 5 FGBDMO CNc1c(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cccc1[N+](=O)[O-] ZINC000462987464 502651196 /nfs/dbraw/zinc/65/11/96/502651196.db2.gz HTMAYSGHEMFLSP-JKSUJKDBSA-N 1 1 374.485 3.363 20 5 FGBDMO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000470132687 502672794 /nfs/dbraw/zinc/67/27/94/502672794.db2.gz KRVQEEPCKUUDIO-AWEZNQCLSA-N 1 1 350.394 3.120 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)[C@H]1C ZINC000470157565 502684744 /nfs/dbraw/zinc/68/47/44/502684744.db2.gz ZIPHGEDBQDOAJW-SWLSCSKDSA-N 1 1 374.393 3.247 20 5 FGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000470174531 502694296 /nfs/dbraw/zinc/69/42/96/502694296.db2.gz LVFROBFXRVDRHA-TXQCQQFXSA-N 1 1 359.470 3.183 20 5 FGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000470174531 502694302 /nfs/dbraw/zinc/69/43/02/502694302.db2.gz LVFROBFXRVDRHA-TXQCQQFXSA-N 1 1 359.470 3.183 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000488457828 502720405 /nfs/dbraw/zinc/72/04/05/502720405.db2.gz MNEXGCMHOSFKBH-BEFAXECRSA-N 1 1 353.422 3.235 20 5 FGBDMO COCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[C@H](C)C1 ZINC000484875583 502762448 /nfs/dbraw/zinc/76/24/48/502762448.db2.gz BJCIOBPAXXWPKI-GXTWGEPZSA-N 1 1 369.849 3.324 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000481148689 502765516 /nfs/dbraw/zinc/76/55/16/502765516.db2.gz WIHOMNXCQFYYPH-CQSZACIVSA-N 1 1 358.394 3.340 20 5 FGBDMO C[C@H]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000467043520 502768677 /nfs/dbraw/zinc/76/86/77/502768677.db2.gz DRSAMBVOJPNJBU-SUMWQHHRSA-N 1 1 357.385 3.127 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)CC[C@@H]1CCCO1 ZINC000467131080 502797358 /nfs/dbraw/zinc/79/73/58/502797358.db2.gz VNJBWMMPINZWJL-YPMHNXCESA-N 1 1 355.822 3.076 20 5 FGBDMO O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000602885544 506338099 /nfs/dbraw/zinc/33/80/99/506338099.db2.gz XWYYOBSDHVABJF-CQSZACIVSA-N 1 1 350.378 3.233 20 5 FGBDMO O=[N+]([O-])c1cncc(Cl)c1N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000596281405 506340042 /nfs/dbraw/zinc/34/00/42/506340042.db2.gz OYPXLVSYSKBKNI-WMLDXEAASA-N 1 1 358.829 3.354 20 5 FGBDMO Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000513302253 502900101 /nfs/dbraw/zinc/90/01/01/502900101.db2.gz TWKONRHSJLHVQO-SFHVURJKSA-N 1 1 353.422 3.298 20 5 FGBDMO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000489208180 502901464 /nfs/dbraw/zinc/90/14/64/502901464.db2.gz UTYQVXGMLHBSRK-GDBMZVCRSA-N 1 1 363.458 3.120 20 5 FGBDMO C[N@@H+]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c2ccccc2C1 ZINC000505426012 502902572 /nfs/dbraw/zinc/90/25/72/502902572.db2.gz DWGZIFVOQFYLTJ-UHFFFAOYSA-N 1 1 350.378 3.168 20 5 FGBDMO C[N@H+]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c2ccccc2C1 ZINC000505426012 502902577 /nfs/dbraw/zinc/90/25/77/502902577.db2.gz DWGZIFVOQFYLTJ-UHFFFAOYSA-N 1 1 350.378 3.168 20 5 FGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000501006360 502910729 /nfs/dbraw/zinc/91/07/29/502910729.db2.gz HZIMTBPTWRPGEV-BBWFWOEESA-N 1 1 374.485 3.261 20 5 FGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000501006362 502910791 /nfs/dbraw/zinc/91/07/91/502910791.db2.gz HZIMTBPTWRPGEV-IXDOHACOSA-N 1 1 374.485 3.261 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505901005 503009570 /nfs/dbraw/zinc/00/95/70/503009570.db2.gz KZTUZQHTWHCRCZ-HZPDHXFCSA-N 1 1 369.421 3.323 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505901005 503009575 /nfs/dbraw/zinc/00/95/75/503009575.db2.gz KZTUZQHTWHCRCZ-HZPDHXFCSA-N 1 1 369.421 3.323 20 5 FGBDMO CCOC(=O)C(C)(C)C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000510089387 503047458 /nfs/dbraw/zinc/04/74/58/503047458.db2.gz VQMRFSUFYKTGIB-UHFFFAOYSA-N 1 1 374.441 3.272 20 5 FGBDMO CC[C@@H](CNC(=O)c1cc(C)cc([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000498032210 503091253 /nfs/dbraw/zinc/09/12/53/503091253.db2.gz CUGLVPUKNZNRGK-IBGZPJMESA-N 1 1 367.449 3.470 20 5 FGBDMO O=C(CC[N@H+]1CCC[C@H](Nc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000490054615 503099423 /nfs/dbraw/zinc/09/94/23/503099423.db2.gz NIXGYGMRMILYOO-SFHVURJKSA-N 1 1 368.437 3.500 20 5 FGBDMO O=[N+]([O-])c1cccc(OCCN2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC000501877166 503099610 /nfs/dbraw/zinc/09/96/10/503099610.db2.gz QBIGMXHZTATJMA-UHFFFAOYSA-N 1 1 355.438 3.182 20 5 FGBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCN(Cc3ccccc3)CC2)c1 ZINC000501877166 503099614 /nfs/dbraw/zinc/09/96/14/503099614.db2.gz QBIGMXHZTATJMA-UHFFFAOYSA-N 1 1 355.438 3.182 20 5 FGBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593036391 506352338 /nfs/dbraw/zinc/35/23/38/506352338.db2.gz DSVQJDOPIFGUOF-RDTXWAMCSA-N 1 1 371.412 3.228 20 5 FGBDMO COc1cc(NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000490109914 503110317 /nfs/dbraw/zinc/11/03/17/503110317.db2.gz XORZULRLJZKDFQ-BETUJISGSA-N 1 1 355.410 3.044 20 5 FGBDMO Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000498162021 503121386 /nfs/dbraw/zinc/12/13/86/503121386.db2.gz XMDSCGVXAUXCQK-GOSISDBHSA-N 1 1 353.422 3.298 20 5 FGBDMO C[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C1CCCCC1 ZINC000498178327 503125128 /nfs/dbraw/zinc/12/51/28/503125128.db2.gz LSIHMMBCIDICKB-UHFFFAOYSA-N 1 1 356.426 3.137 20 5 FGBDMO C[C@@]1(c2cccc(F)c2)CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000593039060 506353398 /nfs/dbraw/zinc/35/33/98/506353398.db2.gz CBNMHOJZRCXTMI-YLJYHZDGSA-N 1 1 374.412 3.137 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000602925889 506354766 /nfs/dbraw/zinc/35/47/66/506354766.db2.gz PDOXIZLKKGKGEJ-HNNXBMFYSA-N 1 1 370.327 3.445 20 5 FGBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)c1 ZINC000510673084 503169809 /nfs/dbraw/zinc/16/98/09/503169809.db2.gz YMOXYELAJDTYFW-FQEVSTJZSA-N 1 1 354.406 3.148 20 5 FGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)c1 ZINC000510673084 503169812 /nfs/dbraw/zinc/16/98/12/503169812.db2.gz YMOXYELAJDTYFW-FQEVSTJZSA-N 1 1 354.406 3.148 20 5 FGBDMO COc1cc(C[N@@H+](CCO)C(C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000506779951 503170840 /nfs/dbraw/zinc/17/08/40/503170840.db2.gz USXYERULTCLUOC-UHFFFAOYSA-N 1 1 374.437 3.385 20 5 FGBDMO COc1ccc(OC)c([C@H](C)[NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])c1 ZINC000510887348 503211527 /nfs/dbraw/zinc/21/15/27/503211527.db2.gz JJPLEBGDYAKYEN-ZDUSSCGKSA-N 1 1 373.409 3.210 20 5 FGBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)NCc1ccc(Cl)s1 ZINC000511073728 503247615 /nfs/dbraw/zinc/24/76/15/503247615.db2.gz QWSGUHLEQMCCFZ-UHFFFAOYSA-N 1 1 367.858 3.100 20 5 FGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)NCc1ccc(Cl)s1 ZINC000511073728 503247618 /nfs/dbraw/zinc/24/76/18/503247618.db2.gz QWSGUHLEQMCCFZ-UHFFFAOYSA-N 1 1 367.858 3.100 20 5 FGBDMO CCOc1ccc(NC(=O)CC[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000511108869 503256637 /nfs/dbraw/zinc/25/66/37/503256637.db2.gz QVHSMQZWYZYQLD-UHFFFAOYSA-N 1 1 371.437 3.497 20 5 FGBDMO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)nc1 ZINC000491146767 503279966 /nfs/dbraw/zinc/27/99/66/503279966.db2.gz OZMKTQKQNCQFCQ-HNNXBMFYSA-N 1 1 372.400 3.288 20 5 FGBDMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)nc1 ZINC000491146767 503279968 /nfs/dbraw/zinc/27/99/68/503279968.db2.gz OZMKTQKQNCQFCQ-HNNXBMFYSA-N 1 1 372.400 3.288 20 5 FGBDMO CC[N@@H+](CCNc1ccc2cc([N+](=O)[O-])ccc2n1)CCC(F)(F)F ZINC000491717424 503327520 /nfs/dbraw/zinc/32/75/20/503327520.db2.gz FUZNOQIQMPFQNM-UHFFFAOYSA-N 1 1 356.348 3.251 20 5 FGBDMO CCOc1cc(C[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)ccc1[N+](=O)[O-] ZINC000492582552 503375382 /nfs/dbraw/zinc/37/53/82/503375382.db2.gz LUVLQAWDUKHVPX-CVEARBPZSA-N 1 1 366.483 3.480 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000492954177 503395751 /nfs/dbraw/zinc/39/57/51/503395751.db2.gz AWSAVZBUUXPQAZ-DOTOQJQBSA-N 1 1 374.485 3.338 20 5 FGBDMO Cc1ccc([C@@H](C)NC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000492954178 503395852 /nfs/dbraw/zinc/39/58/52/503395852.db2.gz AWSAVZBUUXPQAZ-NVXWUHKLSA-N 1 1 374.485 3.338 20 5 FGBDMO COc1cc(C[NH2+]Cc2ccc3ccccc3n2)c([N+](=O)[O-])cc1OC ZINC000507930931 503398194 /nfs/dbraw/zinc/39/81/94/503398194.db2.gz OELYKNYBUUQLQV-UHFFFAOYSA-N 1 1 353.378 3.450 20 5 FGBDMO O=[N+]([O-])c1ccc(CN2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000593069758 506373166 /nfs/dbraw/zinc/37/31/66/506373166.db2.gz UNLYIPKWWRODOP-LEWJYISDSA-N 1 1 367.449 3.070 20 5 FGBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1cccc2[nH]ccc21 ZINC000494007205 503474254 /nfs/dbraw/zinc/47/42/54/503474254.db2.gz PAFMZIKFUPAODT-UHFFFAOYSA-N 1 1 364.405 3.097 20 5 FGBDMO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000494010663 503474672 /nfs/dbraw/zinc/47/46/72/503474672.db2.gz GCANNJFTBYDYCJ-DYZHCLJRSA-N 1 1 365.433 3.283 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000494058345 503480674 /nfs/dbraw/zinc/48/06/74/503480674.db2.gz FQOGUBBMGWJRFP-CRAIPNDOSA-N 1 1 353.422 3.296 20 5 FGBDMO O=[N+]([O-])c1cccc(OCC[N@H+](CCCO)[C@H]2CCc3ccccc32)c1 ZINC000512335687 503522591 /nfs/dbraw/zinc/52/25/91/503522591.db2.gz HFQJQVSTOXKYFL-FQEVSTJZSA-N 1 1 356.422 3.346 20 5 FGBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000508759552 503559983 /nfs/dbraw/zinc/55/99/83/503559983.db2.gz UPRIVASZSDSRRF-QLFBSQMISA-N 1 1 374.485 3.265 20 5 FGBDMO CCn1cc(C[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C(C)C)cn1 ZINC000593082984 506383789 /nfs/dbraw/zinc/38/37/89/506383789.db2.gz XNSZRSMOPYNPJW-UHFFFAOYSA-N 1 1 373.457 3.359 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@H]3[C@@H]3CCCOC3)n2)cc1 ZINC000517027283 503647396 /nfs/dbraw/zinc/64/73/96/503647396.db2.gz HIPDBXMIIJCHCM-GDBMZVCRSA-N 1 1 358.398 3.036 20 5 FGBDMO COCCn1cc2c(n1)[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)CCC2 ZINC000546228391 503680208 /nfs/dbraw/zinc/68/02/08/503680208.db2.gz NCJMMCDWZBOESL-KBXCAEBGSA-N 1 1 358.442 3.474 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000543257662 503701985 /nfs/dbraw/zinc/70/19/85/503701985.db2.gz SOBPKSYYPKYFSO-GFCCVEGCSA-N 1 1 371.890 3.331 20 5 FGBDMO CC[N@@H+](CCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000543286426 503711151 /nfs/dbraw/zinc/71/11/51/503711151.db2.gz JTBDCWAVYFIYRN-UHFFFAOYSA-N 1 1 359.879 3.187 20 5 FGBDMO O=C(NCc1cccc([N+](=O)[O-])c1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000517466937 503751835 /nfs/dbraw/zinc/75/18/35/503751835.db2.gz OGDJZRCVQKXKTG-UHFFFAOYSA-N 1 1 373.319 3.043 20 5 FGBDMO CCCNC(=O)CC[NH2+][C@H](c1ccc(CC)o1)c1ccc([N+](=O)[O-])cc1 ZINC000543407509 503757736 /nfs/dbraw/zinc/75/77/36/503757736.db2.gz VPSCINGZSJPPOH-IBGZPJMESA-N 1 1 359.426 3.346 20 5 FGBDMO CCCCOc1ccc([C@@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)cc1OC ZINC000537070176 503793043 /nfs/dbraw/zinc/79/30/43/503793043.db2.gz SSRBPVQDVAUXNZ-CYBMUJFWSA-N 1 1 362.430 3.367 20 5 FGBDMO CCO[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000533296020 503797826 /nfs/dbraw/zinc/79/78/26/503797826.db2.gz RTVPDJWHJDCFFV-IRXDYDNUSA-N 1 1 363.458 3.367 20 5 FGBDMO Cn1cc([C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)C(C)(C)C)cn1 ZINC000537174856 503828523 /nfs/dbraw/zinc/82/85/23/503828523.db2.gz GZHANRUADOTQCB-QGZVFWFLSA-N 1 1 360.414 3.072 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H](CO)C2)cc1OC ZINC000543843481 503911659 /nfs/dbraw/zinc/91/16/59/503911659.db2.gz RPBJJEOKAIXMGN-LSDHHAIUSA-N 1 1 366.458 3.233 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](CO)C2)cc1OC ZINC000543843481 503911666 /nfs/dbraw/zinc/91/16/66/503911666.db2.gz 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O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000599834953 506668321 /nfs/dbraw/zinc/66/83/21/506668321.db2.gz QDKZFYFJMOGLRC-FUHWJXTLSA-N 1 1 369.425 3.281 20 5 FGBDMO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000604104534 506715876 /nfs/dbraw/zinc/71/58/76/506715876.db2.gz RBYRYIMEAWPRKZ-OAHLLOKOSA-N 1 1 362.817 3.143 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cccc(OC4CC4)c3F)C2)nc1 ZINC000597016061 506733987 /nfs/dbraw/zinc/73/39/87/506733987.db2.gz ZVDDDIYGDGNTFU-AWEZNQCLSA-N 1 1 372.400 3.357 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cccc(OC4CC4)c3F)C2)nc1 ZINC000597016061 506733993 /nfs/dbraw/zinc/73/39/93/506733993.db2.gz ZVDDDIYGDGNTFU-AWEZNQCLSA-N 1 1 372.400 3.357 20 5 FGBDMO COc1cc(C[NH2+]C[C@@H](C)N(C)C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000609223456 506818561 /nfs/dbraw/zinc/81/85/61/506818561.db2.gz SWYFAPLFWQKAAO-OAHLLOKOSA-N 1 1 373.453 3.222 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+](CCOCCO)C3CCC3)o2)c1 ZINC000597206185 506834056 /nfs/dbraw/zinc/83/40/56/506834056.db2.gz MGIMQVMCWPYZJG-UHFFFAOYSA-N 1 1 360.410 3.218 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c[nH+]ccc1-n1cccn1 ZINC000609285597 506834944 /nfs/dbraw/zinc/83/49/44/506834944.db2.gz ONJGJCBMRYKFJU-LBPRGKRZSA-N 1 1 369.406 3.295 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000597222531 506843941 /nfs/dbraw/zinc/84/39/41/506843941.db2.gz FCZWMNPTIBTSMA-GHMZBOCLSA-N 1 1 360.332 3.386 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000597222531 506843947 /nfs/dbraw/zinc/84/39/47/506843947.db2.gz FCZWMNPTIBTSMA-GHMZBOCLSA-N 1 1 360.332 3.386 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](OC3CCC3)C2)cccc1[N+](=O)[O-] ZINC000594027493 506891849 /nfs/dbraw/zinc/89/18/49/506891849.db2.gz VMWZTQVWYUAGFX-MRXNPFEDSA-N 1 1 361.442 3.265 20 5 FGBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000609489171 506897983 /nfs/dbraw/zinc/89/79/83/506897983.db2.gz AGHXWINNPHLHEA-HIFRSBDPSA-N 1 1 351.472 3.066 20 5 FGBDMO Cc1ccc([C@H]2CCC[N@@H+]2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)o1 ZINC000609706081 506978852 /nfs/dbraw/zinc/97/88/52/506978852.db2.gz SYBZAMURDLCMHF-QGZVFWFLSA-N 1 1 355.394 3.222 20 5 FGBDMO Cc1ccc([C@H]2CCC[N@H+]2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)o1 ZINC000609706081 506978864 /nfs/dbraw/zinc/97/88/64/506978864.db2.gz SYBZAMURDLCMHF-QGZVFWFLSA-N 1 1 355.394 3.222 20 5 FGBDMO Cc1ccc(NCCCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000610070177 507088506 /nfs/dbraw/zinc/08/85/06/507088506.db2.gz XYPIUIPGTMSLMT-LJQANCHMSA-N 1 1 370.453 3.124 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c(F)c1 ZINC000610116517 507105031 /nfs/dbraw/zinc/10/50/31/507105031.db2.gz MCDADZQFOCLXBF-CRAIPNDOSA-N 1 1 359.401 3.029 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000610125908 507108310 /nfs/dbraw/zinc/10/83/10/507108310.db2.gz YMFGXFAYAXMGOH-CRAIPNDOSA-N 1 1 362.474 3.118 20 5 FGBDMO C[C@H](O)C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1 ZINC000610162810 507121495 /nfs/dbraw/zinc/12/14/95/507121495.db2.gz BCJROYAIURCLAN-AWEZNQCLSA-N 1 1 368.393 3.028 20 5 FGBDMO C[C@H](O)C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1 ZINC000610162810 507121502 /nfs/dbraw/zinc/12/15/02/507121502.db2.gz BCJROYAIURCLAN-AWEZNQCLSA-N 1 1 368.393 3.028 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000597859978 507137415 /nfs/dbraw/zinc/13/74/15/507137415.db2.gz JDKOMBCAULQQAW-NSHDSACASA-N 1 1 373.375 3.464 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000597921917 507176560 /nfs/dbraw/zinc/17/65/60/507176560.db2.gz HULDUVWBHFGZKT-LBPRGKRZSA-N 1 1 371.890 3.329 20 5 FGBDMO Cc1[nH+]c2cc(Nc3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)ccc2n1C ZINC000610285208 507178135 /nfs/dbraw/zinc/17/81/35/507178135.db2.gz NHKGOZPTEUSDNT-UHFFFAOYSA-N 1 1 351.366 3.418 20 5 FGBDMO C[C@@H]1C[C@@]2(CCO1)CN(c1cc[nH+]c3ccc([N+](=O)[O-])cc31)C[C@H](C)O2 ZINC000601158673 507282048 /nfs/dbraw/zinc/28/20/48/507282048.db2.gz AIXVQILMDUTRJQ-TYILLQQXSA-N 1 1 357.410 3.306 20 5 FGBDMO Cc1nccc([C@H]2CCC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)n1 ZINC000610580985 507302989 /nfs/dbraw/zinc/30/29/89/507302989.db2.gz RMKUOLSGQMNVRW-ZDUSSCGKSA-N 1 1 353.382 3.214 20 5 FGBDMO Cc1nccc([C@H]2CCC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)n1 ZINC000610580985 507302997 /nfs/dbraw/zinc/30/29/97/507302997.db2.gz RMKUOLSGQMNVRW-ZDUSSCGKSA-N 1 1 353.382 3.214 20 5 FGBDMO C[C@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000601414754 507358838 /nfs/dbraw/zinc/35/88/38/507358838.db2.gz HCYMZMGEGXGQOB-HOCLYGCPSA-N 1 1 371.412 3.374 20 5 FGBDMO O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000598510894 507468580 /nfs/dbraw/zinc/46/85/80/507468580.db2.gz QWICMFUGVXAIDJ-OAHLLOKOSA-N 1 1 359.813 3.253 20 5 FGBDMO O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000598510894 507468584 /nfs/dbraw/zinc/46/85/84/507468584.db2.gz QWICMFUGVXAIDJ-OAHLLOKOSA-N 1 1 359.813 3.253 20 5 FGBDMO Cc1c(C[N@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000592154667 507510826 /nfs/dbraw/zinc/51/08/26/507510826.db2.gz ICOVXRNHBJFSCH-SFHVURJKSA-N 1 1 353.422 3.042 20 5 FGBDMO COc1ccc(OCC[N@@H+]2C[C@H](C)OC3(CCCC3)C2)c([N+](=O)[O-])c1 ZINC000592196968 507534965 /nfs/dbraw/zinc/53/49/65/507534965.db2.gz ZYQHMUOAJHHBCJ-AWEZNQCLSA-N 1 1 350.415 3.016 20 5 FGBDMO COc1ccc(OCC[N@H+]2C[C@H](C)OC3(CCCC3)C2)c([N+](=O)[O-])c1 ZINC000592196968 507534973 /nfs/dbraw/zinc/53/49/73/507534973.db2.gz ZYQHMUOAJHHBCJ-AWEZNQCLSA-N 1 1 350.415 3.016 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@H](n4ccnc4)C3)co2)cc1 ZINC000611170675 507544056 /nfs/dbraw/zinc/54/40/56/507544056.db2.gz WKIMLAJHHITHJW-KRWDZBQOSA-N 1 1 353.382 3.283 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@H](n4ccnc4)C3)co2)cc1 ZINC000611170675 507544065 /nfs/dbraw/zinc/54/40/65/507544065.db2.gz WKIMLAJHHITHJW-KRWDZBQOSA-N 1 1 353.382 3.283 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+]3CC[C@H](C)[C@H](CO)C3)o2)c([N+](=O)[O-])c1 ZINC000598676218 507548036 /nfs/dbraw/zinc/54/80/36/507548036.db2.gz DXAAOOOYHVPMQV-KBPBESRZSA-N 1 1 360.410 3.314 20 5 FGBDMO CC(C)(C)OC1CC[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611264901 507589425 /nfs/dbraw/zinc/58/94/25/507589425.db2.gz GGHRJXYXPFLMDU-UHFFFAOYSA-N 1 1 350.415 3.146 20 5 FGBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C12CCC2 ZINC000611286264 507604836 /nfs/dbraw/zinc/60/48/36/507604836.db2.gz WPOTWYQBUXICMH-QZTJIDSGSA-N 1 1 362.426 3.146 20 5 FGBDMO Cc1ccc(N2CCC(C(=O)N[C@H](C)c3ccccc3[N+](=O)[O-])CC2)[nH+]c1 ZINC000611377839 507649834 /nfs/dbraw/zinc/64/98/34/507649834.db2.gz GNPPLZZFVLPSJO-OAHLLOKOSA-N 1 1 368.437 3.392 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)[C@@H]2CCCC[C@@H]12 ZINC000595732166 507653604 /nfs/dbraw/zinc/65/36/04/507653604.db2.gz OLXDWQUOEVLBNM-GVDBMIGSSA-N 1 1 362.426 3.157 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000595779759 507680270 /nfs/dbraw/zinc/68/02/70/507680270.db2.gz HVRFEMLJFPZPJA-NEPJUHHUSA-N 1 1 374.384 3.247 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000595779759 507680272 /nfs/dbraw/zinc/68/02/72/507680272.db2.gz HVRFEMLJFPZPJA-NEPJUHHUSA-N 1 1 374.384 3.247 20 5 FGBDMO O=C1CCCN1C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000595830055 507704885 /nfs/dbraw/zinc/70/48/85/507704885.db2.gz SYHAHQVEQIPZLQ-GFCCVEGCSA-N 1 1 371.359 3.058 20 5 FGBDMO O=C1CCCN1C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000595830055 507704891 /nfs/dbraw/zinc/70/48/91/507704891.db2.gz SYHAHQVEQIPZLQ-GFCCVEGCSA-N 1 1 371.359 3.058 20 5 FGBDMO O=C1CCCN1C1CC[NH+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602461979 507718719 /nfs/dbraw/zinc/71/87/19/507718719.db2.gz KJDOIZVZCBKPHR-UHFFFAOYSA-N 1 1 371.359 3.200 20 5 FGBDMO C[C@@H]1C[C@@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)CC[N@H+]1Cc1ccccc1 ZINC000587993379 507727830 /nfs/dbraw/zinc/72/78/30/507727830.db2.gz GZRAWWXZETVIKS-PBHICJAKSA-N 1 1 370.453 3.134 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CC1=CCSC1 ZINC000595890214 507730482 /nfs/dbraw/zinc/73/04/82/507730482.db2.gz ZXQPTNGVDWKVGP-SNVBAGLBSA-N 1 1 355.847 3.180 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)CC1=CCSC1 ZINC000595890214 507730487 /nfs/dbraw/zinc/73/04/87/507730487.db2.gz ZXQPTNGVDWKVGP-SNVBAGLBSA-N 1 1 355.847 3.180 20 5 FGBDMO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602512946 507733118 /nfs/dbraw/zinc/73/31/18/507733118.db2.gz YDLKIIDMCQCIQX-NSHDSACASA-N 1 1 371.260 3.320 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000611556434 507737132 /nfs/dbraw/zinc/73/71/32/507737132.db2.gz YAPDWUUCSYQCSW-AWEZNQCLSA-N 1 1 363.483 3.311 20 5 FGBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)cccc1[N+](=O)[O-] ZINC000595910756 507738523 /nfs/dbraw/zinc/73/85/23/507738523.db2.gz RJQXCYBCYBSXOA-BGYRXZFFSA-N 1 1 373.453 3.124 20 5 FGBDMO Cc1cc(C(=O)NCc2ccc(C)[nH+]c2N2CCCC2)cc([N+](=O)[O-])c1 ZINC000611572240 507745913 /nfs/dbraw/zinc/74/59/13/507745913.db2.gz PDPKLCBDVAKGEB-UHFFFAOYSA-N 1 1 354.410 3.137 20 5 FGBDMO Cc1cc(C)c(-c2nn[nH]n2)c(NCc2cc([N+](=O)[O-])ccc2Cl)[nH+]1 ZINC000822193075 606800946 /nfs/dbraw/zinc/80/09/46/606800946.db2.gz KPXVVSPYECFKBI-UHFFFAOYSA-N 1 1 359.777 3.052 20 5 FGBDMO Cc1c(C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2F)cccc1[N+](=O)[O-] ZINC000826236522 608132523 /nfs/dbraw/zinc/13/25/23/608132523.db2.gz QAIYWHYJBMCUGN-LLVKDONJSA-N 1 1 356.361 3.073 20 5 FGBDMO C[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2nn[nH]n2)cc1 ZINC000824614231 608462545 /nfs/dbraw/zinc/46/25/45/608462545.db2.gz ZTSWIPYCGMGDOS-JTQLQIEISA-N 1 1 358.789 3.279 20 5 FGBDMO Cc1cc(C)c(-c2nn[nH]n2)c(NCCc2ccc(Cl)cc2[N+](=O)[O-])[nH+]1 ZINC000826263133 609321128 /nfs/dbraw/zinc/32/11/28/609321128.db2.gz MMMNTQPEDXGKOM-UHFFFAOYSA-N 1 1 373.804 3.095 20 5 FGBDMO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824531352 609330295 /nfs/dbraw/zinc/33/02/95/609330295.db2.gz PCVAQDJOJDKZLU-WDEREUQCSA-N 1 1 356.361 3.326 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+](C[C@H]2CCOC2)C2CC2)ccc1Br ZINC000129942415 700794052 /nfs/dbraw/zinc/79/40/52/700794052.db2.gz UHJYUMQLOJVOLV-GFCCVEGCSA-N 1 1 355.232 3.358 20 5 FGBDMO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000153624003 705005855 /nfs/dbraw/zinc/00/58/55/705005855.db2.gz HGHWHQKYMLNWPU-AWEZNQCLSA-N 1 1 353.850 3.377 20 5 FGBDMO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000153624003 705005861 /nfs/dbraw/zinc/00/58/61/705005861.db2.gz HGHWHQKYMLNWPU-AWEZNQCLSA-N 1 1 353.850 3.377 20 5 FGBDMO C[N@H+]1CCC[C@@H]2CN(Cn3c4cc([N+](=O)[O-])ccc4oc3=S)CC[C@@H]21 ZINC000164625577 705331325 /nfs/dbraw/zinc/33/13/25/705331325.db2.gz OXZWBJPKMMBFGW-OCCSQVGLSA-N 1 1 362.455 3.246 20 5 FGBDMO CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000195464381 713557102 /nfs/dbraw/zinc/55/71/02/713557102.db2.gz ZYKQNQHVNZAGHH-ZDUSSCGKSA-N 1 1 351.422 3.107 20 5 FGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+](Cc2cccs2)C[C@H]2CCCO2)c1 ZINC000246337781 713622094 /nfs/dbraw/zinc/62/20/94/713622094.db2.gz UEWYPELNQYFEGC-AEFFLSMTSA-N 1 1 362.451 3.371 20 5 FGBDMO O=C(Nc1nccs1)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000374880331 713950644 /nfs/dbraw/zinc/95/06/44/713950644.db2.gz QYTPJLOFFOAHOK-UHFFFAOYSA-N 1 1 364.402 3.041 20 5 FGBDMO O=C(NC1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1)c1cccs1 ZINC000374913793 713953332 /nfs/dbraw/zinc/95/33/32/713953332.db2.gz OTFLCLMKPGKZRL-UHFFFAOYSA-N 1 1 363.414 3.190 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000524888581 714307871 /nfs/dbraw/zinc/30/78/71/714307871.db2.gz DWEVJUKSQPFPFZ-GXTWGEPZSA-N 1 1 351.472 3.262 20 5 FGBDMO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000619574389 714854432 /nfs/dbraw/zinc/85/44/32/714854432.db2.gz VJROZFVQBIFLSG-ZIAGYGMSSA-N 1 1 363.414 3.068 20 5 FGBDMO CC[N@@H+](CCC1CCN(Cn2cc([N+](=O)[O-])c(C)n2)CC1)CC(C)C ZINC000779868497 724431477 /nfs/dbraw/zinc/43/14/77/724431477.db2.gz UGFANALHOZBLOP-UHFFFAOYSA-N 1 1 351.495 3.137 20 5 FGBDMO Cc1ncc(CC[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000780767243 724499720 /nfs/dbraw/zinc/49/97/20/724499720.db2.gz KDSVNJFAAJUCOM-MRXNPFEDSA-N 1 1 357.439 3.015 20 5 FGBDMO Cc1nc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)ccc1[N+](=O)[O-] ZINC001164627547 719055151 /nfs/dbraw/zinc/05/51/51/719055151.db2.gz VVQBQLUZLDBNAA-PKOBYXMFSA-N 1 1 352.438 3.399 20 5 FGBDMO CCc1cc(N2C[C@H](C)[N@@H+](C)C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000508330854 719243861 /nfs/dbraw/zinc/24/38/61/719243861.db2.gz WNYYBWMGUFIHNX-UONOGXRCSA-N 1 1 355.442 3.143 20 5 FGBDMO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000783925649 724804519 /nfs/dbraw/zinc/80/45/19/724804519.db2.gz XRLAMNKZZCTTGX-INIZCTEOSA-N 1 1 370.833 3.085 20 5 FGBDMO C[C@@H](C(=O)OCCCOc1ccc([N+](=O)[O-])cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000741024524 722541473 /nfs/dbraw/zinc/54/14/73/722541473.db2.gz WMTRXASCHPRGKB-ZNMIVQPWSA-N 1 1 350.415 3.168 20 5 FGBDMO C[N@@H+](CCOc1ccccc1Cl)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749667413 722736138 /nfs/dbraw/zinc/73/61/38/722736138.db2.gz WYLGRGRMJAAFNW-MRXNPFEDSA-N 1 1 350.802 3.292 20 5 FGBDMO C[C@H](CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCCC[C@H]1C ZINC000756922511 722971919 /nfs/dbraw/zinc/97/19/19/722971919.db2.gz RMRKGWMUMSOSHK-CHWSQXEVSA-N 1 1 368.865 3.310 20 5 FGBDMO C[C@@H](CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@@H](C)C1 ZINC000756935901 722972112 /nfs/dbraw/zinc/97/21/12/722972112.db2.gz BQULZYQGFHOPCT-OLZOCXBDSA-N 1 1 368.865 3.168 20 5 FGBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@H](O)c1ccc(Cl)c(F)c1)C2 ZINC000759847975 723024497 /nfs/dbraw/zinc/02/44/97/723024497.db2.gz DMVFIEASANPBLL-KRWDZBQOSA-N 1 1 350.777 3.479 20 5 FGBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@H](O)c1ccc(Cl)c(F)c1)C2 ZINC000759847975 723024499 /nfs/dbraw/zinc/02/44/99/723024499.db2.gz DMVFIEASANPBLL-KRWDZBQOSA-N 1 1 350.777 3.479 20 5 FGBDMO Cn1c(=O)sc2cc(C[NH2+]Cc3cc([N+](=O)[O-])ccc3Cl)ccc21 ZINC000793012184 723392547 /nfs/dbraw/zinc/39/25/47/723392547.db2.gz WMOUMLDUVOZYNS-UHFFFAOYSA-N 1 1 363.826 3.451 20 5 FGBDMO O=[N+]([O-])c1ccc(Br)c2c1C[N@H+](C[C@@H]1CCSC1)CC2 ZINC000793609827 723454477 /nfs/dbraw/zinc/45/44/77/723454477.db2.gz CKZKQIXNSRGZCI-JTQLQIEISA-N 1 1 357.273 3.469 20 5 FGBDMO O=[N+]([O-])c1ccc(Br)c2c1C[N@@H+](C[C@@H]1CCSC1)CC2 ZINC000793609827 723454478 /nfs/dbraw/zinc/45/44/78/723454478.db2.gz CKZKQIXNSRGZCI-JTQLQIEISA-N 1 1 357.273 3.469 20 5 FGBDMO Cc1[nH+]ccn1CCCOC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000767472298 723620408 /nfs/dbraw/zinc/62/04/08/723620408.db2.gz OXZIZFSBQKNFMG-UHFFFAOYSA-N 1 1 368.187 3.109 20 5 FGBDMO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000796301516 723631559 /nfs/dbraw/zinc/63/15/59/723631559.db2.gz ARAFKSDOOMSVRK-XHDPSFHLSA-N 1 1 360.332 3.392 20 5 FGBDMO C[S@@](=O)Cc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000796527270 723641758 /nfs/dbraw/zinc/64/17/58/723641758.db2.gz XNTLIDSVEWFQAD-HSZRJFAPSA-N 1 1 352.843 3.417 20 5 FGBDMO O=[N+]([O-])c1cccc(Br)c1CN1CCC(c2[nH]cc[nH+]2)CC1 ZINC000769190647 723679114 /nfs/dbraw/zinc/67/91/14/723679114.db2.gz YFXZFRRIENDZRK-UHFFFAOYSA-N 1 1 365.231 3.460 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)ccc1Br ZINC000770285152 723710360 /nfs/dbraw/zinc/71/03/60/723710360.db2.gz BGXXFPUIYZTYEJ-OCCSQVGLSA-N 1 1 355.232 3.358 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)ccc1Br ZINC000770285152 723710361 /nfs/dbraw/zinc/71/03/61/723710361.db2.gz BGXXFPUIYZTYEJ-OCCSQVGLSA-N 1 1 355.232 3.358 20 5 FGBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CC(c3nc4ccccc4s3)C2)c1 ZINC000773535601 723797951 /nfs/dbraw/zinc/79/79/51/723797951.db2.gz JBQFOFRSNZPSQO-MRXNPFEDSA-N 1 1 355.419 3.337 20 5 FGBDMO CC(C)(C)[N@H+]1CCCN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 ZINC000774626882 723911818 /nfs/dbraw/zinc/91/18/18/723911818.db2.gz MEVHFMNCICSSJL-UHFFFAOYSA-N 1 1 365.865 3.362 20 5 FGBDMO COCC1(C)CC[NH+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 ZINC000774640337 723913614 /nfs/dbraw/zinc/91/36/14/723913614.db2.gz QTEYITLVZVHPGA-UHFFFAOYSA-N 1 1 352.822 3.304 20 5 FGBDMO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CCC[C@H]3[C@H]3CCCO3)c2c(Cl)c1 ZINC000789509145 725133000 /nfs/dbraw/zinc/13/30/00/725133000.db2.gz SZAYQDVKUUFYRZ-LSDHHAIUSA-N 1 1 350.806 3.199 20 5 FGBDMO O=[N+]([O-])c1cc2cnn(C[N@H+]3CCC[C@H]3[C@H]3CCCO3)c2c(Cl)c1 ZINC000789509145 725133002 /nfs/dbraw/zinc/13/30/02/725133002.db2.gz SZAYQDVKUUFYRZ-LSDHHAIUSA-N 1 1 350.806 3.199 20 5 FGBDMO O=[N+]([O-])c1cc2cnn(C[NH+]3CCC4(CCOCC4)CC3)c2c(Cl)c1 ZINC000789530710 725134742 /nfs/dbraw/zinc/13/47/42/725134742.db2.gz NCSRBLQFXFWMSF-UHFFFAOYSA-N 1 1 364.833 3.448 20 5 FGBDMO CCOCCOCC[N@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809985161 725280536 /nfs/dbraw/zinc/28/05/36/725280536.db2.gz HSWMHRZRTRYPHX-UHFFFAOYSA-N 1 1 351.230 3.387 20 5 FGBDMO CCOCCOCC[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809985161 725280537 /nfs/dbraw/zinc/28/05/37/725280537.db2.gz HSWMHRZRTRYPHX-UHFFFAOYSA-N 1 1 351.230 3.387 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000812322675 725393885 /nfs/dbraw/zinc/39/38/85/725393885.db2.gz JJUYBHFYIFMOFE-UONOGXRCSA-N 1 1 363.483 3.121 20 5 FGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)c1 ZINC000815207358 727052213 /nfs/dbraw/zinc/05/22/13/727052213.db2.gz CIJSPKWEIGZIEV-QZTJIDSGSA-N 1 1 362.813 3.435 20 5 FGBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000816901404 727203794 /nfs/dbraw/zinc/20/37/94/727203794.db2.gz LHOYKPHEYSCGID-FRRDWIJNSA-N 1 1 353.850 3.344 20 5 FGBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000817297489 727237982 /nfs/dbraw/zinc/23/79/82/727237982.db2.gz RLKIKNXVSOCNOL-CHWSQXEVSA-N 1 1 369.849 3.060 20 5 FGBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@@H](CCO)CC1 ZINC000817297489 727237984 /nfs/dbraw/zinc/23/79/84/727237984.db2.gz RLKIKNXVSOCNOL-CHWSQXEVSA-N 1 1 369.849 3.060 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CCC[N@H+](C(C)(C)C)CC2)c1F ZINC000824632437 729351881 /nfs/dbraw/zinc/35/18/81/729351881.db2.gz JXMDIXTVIVWXON-UHFFFAOYSA-N 1 1 355.385 3.128 20 5 FGBDMO C[N@H+]1CCCC[C@H](CNC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000827202293 729426878 /nfs/dbraw/zinc/42/68/78/729426878.db2.gz TUQIZZULVLTULK-CYBMUJFWSA-N 1 1 353.850 3.029 20 5 FGBDMO Cc1cc(Cl)c(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000827397123 729429725 /nfs/dbraw/zinc/42/97/25/729429725.db2.gz ZKSPINQEDOIODM-INIZCTEOSA-N 1 1 359.813 3.473 20 5 FGBDMO Cc1cc(Cl)c(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000827397123 729429726 /nfs/dbraw/zinc/42/97/26/729429726.db2.gz ZKSPINQEDOIODM-INIZCTEOSA-N 1 1 359.813 3.473 20 5 FGBDMO O=C(CC[N@H+]1CCSC[C@@H]1C1CCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000842170282 730304350 /nfs/dbraw/zinc/30/43/50/730304350.db2.gz CZCTVNOPTOHMHN-MRXNPFEDSA-N 1 1 367.446 3.280 20 5 FGBDMO C[N@@H+]1CCO[C@H](CSCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000842653142 730525589 /nfs/dbraw/zinc/52/55/89/730525589.db2.gz HSYXKEUCKZPHFR-NSHDSACASA-N 1 1 351.255 3.465 20 5 FGBDMO C[N@H+]1CCO[C@H](CSCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000842653142 730525590 /nfs/dbraw/zinc/52/55/90/730525590.db2.gz HSYXKEUCKZPHFR-NSHDSACASA-N 1 1 351.255 3.465 20 5 FGBDMO C[C@@]12COC[C@]1(C)C[N@@H+](Cc1cccc([N+](=O)[O-])c1Br)C2 ZINC000852460352 731586743 /nfs/dbraw/zinc/58/67/43/731586743.db2.gz MQRFLTLWRXPHEW-GASCZTMLSA-N 1 1 355.232 3.216 20 5 FGBDMO C[C@@]12COC[C@]1(C)C[N@H+](Cc1cccc([N+](=O)[O-])c1Br)C2 ZINC000852460352 731586745 /nfs/dbraw/zinc/58/67/45/731586745.db2.gz MQRFLTLWRXPHEW-GASCZTMLSA-N 1 1 355.232 3.216 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)c1F ZINC000855161921 731903098 /nfs/dbraw/zinc/90/30/98/731903098.db2.gz FEQMIUBLQFECIC-NSHDSACASA-N 1 1 355.385 3.032 20 5 FGBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000857677321 732153022 /nfs/dbraw/zinc/15/30/22/732153022.db2.gz KDXRDDBAUUKHNC-UHFFFAOYSA-N 1 1 372.263 3.208 20 5 FGBDMO C[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H](C)C1(F)F ZINC000859416149 732326360 /nfs/dbraw/zinc/32/63/60/732326360.db2.gz ZHOBMIDZIUSJJY-PHIMTYICSA-N 1 1 359.348 3.286 20 5 FGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000876678556 736130318 /nfs/dbraw/zinc/13/03/18/736130318.db2.gz NXXRHMMEMGDULB-LBPRGKRZSA-N 1 1 360.332 3.199 20 5 FGBDMO COc1cc([C@@H](C)[NH2+]Cc2c(C(F)(F)F)cnn2C)cc([N+](=O)[O-])c1 ZINC000903205142 743822120 /nfs/dbraw/zinc/82/21/20/743822120.db2.gz DHGRECHJMGAWRW-SECBINFHSA-N 1 1 358.320 3.207 20 5 FGBDMO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CNCCC1(F)F ZINC000925782621 759538267 /nfs/dbraw/zinc/53/82/67/759538267.db2.gz MGZRCUKAMGIXGI-QWHCGFSZSA-N 1 1 359.442 3.300 20 5 FGBDMO CC[C@H](CSc1ccccc1[N+](=O)[O-])NC[C@@H]1C[NH2+]CCC1(F)F ZINC000925782621 759538274 /nfs/dbraw/zinc/53/82/74/759538274.db2.gz MGZRCUKAMGIXGI-QWHCGFSZSA-N 1 1 359.442 3.300 20 5 FGBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CC[C@H](O)CC12CCC2 ZINC000930753793 760687492 /nfs/dbraw/zinc/68/74/92/760687492.db2.gz ICSFUUKYMKZYRH-NSHDSACASA-N 1 1 355.232 3.237 20 5 FGBDMO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CC[C@H](O)CC12CCC2 ZINC000930753793 760687498 /nfs/dbraw/zinc/68/74/98/760687498.db2.gz ICSFUUKYMKZYRH-NSHDSACASA-N 1 1 355.232 3.237 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(CSC)CC1 ZINC000932589994 761196132 /nfs/dbraw/zinc/19/61/32/761196132.db2.gz RZBRMOQWCQMFQC-GFCCVEGCSA-N 1 1 367.471 3.005 20 5 FGBDMO 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20 5 FGBDMO CO[C@]1(C)C[C@H]([N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1(C)C ZINC000174485019 495978654 /nfs/dbraw/zinc/97/86/54/495978654.db2.gz WUIZUTIKPIHATR-KBXCAEBGSA-N 1 1 360.414 3.280 20 5 FGBDMO CO[C@]1(C)C[C@H]([N@@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1(C)C ZINC000174485019 495978657 /nfs/dbraw/zinc/97/86/57/495978657.db2.gz WUIZUTIKPIHATR-KBXCAEBGSA-N 1 1 360.414 3.280 20 5 FGBDMO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000155549895 495991414 /nfs/dbraw/zinc/99/14/14/495991414.db2.gz JJIYLJMHBQHLDP-HNNXBMFYSA-N 1 1 357.410 3.203 20 5 FGBDMO Cn1cc[nH+]c1CC1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000160680225 496018883 /nfs/dbraw/zinc/01/88/83/496018883.db2.gz HFIYPLAUVZQZPD-UHFFFAOYSA-N 1 1 351.410 3.336 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183554753 496029092 /nfs/dbraw/zinc/02/90/92/496029092.db2.gz QUAQICKOIKPJEU-OAHLLOKOSA-N 1 1 369.425 3.118 20 5 FGBDMO CC(C)(C)c1ccc([C@H]2CCC[N@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000174738113 496083668 /nfs/dbraw/zinc/08/36/68/496083668.db2.gz RKTDRGQOWFXPHV-RBUKOAKNSA-N 1 1 372.469 3.287 20 5 FGBDMO C[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC000171968151 496112326 /nfs/dbraw/zinc/11/23/26/496112326.db2.gz XJHGPUYRBFKRIW-CQSZACIVSA-N 1 1 371.462 3.428 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCO[C@@]4(CCCOC4)C3)o2)c1 ZINC000568989654 505824839 /nfs/dbraw/zinc/82/48/39/505824839.db2.gz XHCNTDIMVLFTOR-IBGZPJMESA-N 1 1 358.394 3.236 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCO[C@@]4(CCCOC4)C3)o2)c1 ZINC000568989654 505824842 /nfs/dbraw/zinc/82/48/42/505824842.db2.gz XHCNTDIMVLFTOR-IBGZPJMESA-N 1 1 358.394 3.236 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000183910419 496157725 /nfs/dbraw/zinc/15/77/25/496157725.db2.gz DNCPBMPLCXTWBY-AWEZNQCLSA-N 1 1 351.200 3.181 20 5 FGBDMO CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000180826784 496161356 /nfs/dbraw/zinc/16/13/56/496161356.db2.gz JSBAFXWAWPXLGT-OAHLLOKOSA-N 1 1 357.410 3.155 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000156124910 496164249 /nfs/dbraw/zinc/16/42/49/496164249.db2.gz SGSMENYHLBULTK-AWEZNQCLSA-N 1 1 364.446 3.237 20 5 FGBDMO C[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000152561689 496188808 /nfs/dbraw/zinc/18/88/08/496188808.db2.gz PUFCNFQCAZMPLX-MRXNPFEDSA-N 1 1 367.405 3.015 20 5 FGBDMO C[C@H](C[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1nccs1 ZINC000183989744 496189913 /nfs/dbraw/zinc/18/99/13/496189913.db2.gz NBRLJOVLZVZTST-LLVKDONJSA-N 1 1 359.411 3.337 20 5 FGBDMO C[C@H](C[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1nccs1 ZINC000183989744 496189919 /nfs/dbraw/zinc/18/99/19/496189919.db2.gz NBRLJOVLZVZTST-LLVKDONJSA-N 1 1 359.411 3.337 20 5 FGBDMO CC(C)CC[N@H+]1Cc2cccc(NC(=O)c3cc([N+](=O)[O-])cnc3N)c2C1 ZINC000184310512 496329735 /nfs/dbraw/zinc/32/97/35/496329735.db2.gz VATZQGWCSGAMCO-UHFFFAOYSA-N 1 1 369.425 3.186 20 5 FGBDMO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000175399525 496373359 /nfs/dbraw/zinc/37/33/59/496373359.db2.gz REFBOTNRULREKA-HWRSSNJWSA-N 1 1 362.451 3.404 20 5 FGBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000172685652 496386575 /nfs/dbraw/zinc/38/65/75/496386575.db2.gz RWDVIEAPIUEYPZ-LJQANCHMSA-N 1 1 353.422 3.266 20 5 FGBDMO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H]1CCCC[C@@H]1O ZINC000181469551 496409300 /nfs/dbraw/zinc/40/93/00/496409300.db2.gz SSTLGZNAXNADFJ-RDJZCZTQSA-N 1 1 359.426 3.275 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000157559584 496503555 /nfs/dbraw/zinc/50/35/55/496503555.db2.gz AIFBKJBKGKBBJP-HNNXBMFYSA-N 1 1 374.485 3.294 20 5 FGBDMO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000153628909 496524043 /nfs/dbraw/zinc/52/40/43/496524043.db2.gz ITXSAQUPTCRSRU-WBMJQRKESA-N 1 1 363.845 3.337 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000157688133 496530268 /nfs/dbraw/zinc/53/02/68/496530268.db2.gz IAOLSFSPDZKUEF-IBGZPJMESA-N 1 1 364.405 3.014 20 5 FGBDMO CC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H](C)Cc1ccsc1 ZINC000187803298 496577855 /nfs/dbraw/zinc/57/78/55/496577855.db2.gz IFLFDVVUXATZAG-CQSZACIVSA-N 1 1 373.478 3.499 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1cccc(F)c1F ZINC000181968037 496616968 /nfs/dbraw/zinc/61/69/68/496616968.db2.gz QBATTXGBUZBZEZ-SNVBAGLBSA-N 1 1 365.336 3.171 20 5 FGBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000185019659 496625514 /nfs/dbraw/zinc/62/55/14/496625514.db2.gz QDBYYZXUVREFEQ-RDJZCZTQSA-N 1 1 359.426 3.176 20 5 FGBDMO CCO[C@@H]1C[C@@H]([N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C12CCC2 ZINC000153940582 496630890 /nfs/dbraw/zinc/63/08/90/496630890.db2.gz UIXXUHJRLRUHDK-IAGOWNOFSA-N 1 1 361.442 3.121 20 5 FGBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C12CCC2 ZINC000153940582 496630895 /nfs/dbraw/zinc/63/08/95/496630895.db2.gz UIXXUHJRLRUHDK-IAGOWNOFSA-N 1 1 361.442 3.121 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000153957981 496636877 /nfs/dbraw/zinc/63/68/77/496636877.db2.gz WVKMEQLPCAEDIY-AWEZNQCLSA-N 1 1 365.499 3.415 20 5 FGBDMO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000182187892 496701628 /nfs/dbraw/zinc/70/16/28/496701628.db2.gz JKWSKVZWMIZVJP-CVEARBPZSA-N 1 1 354.834 3.000 20 5 FGBDMO Cc1cnc([C@@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C2CC2)s1 ZINC000185295003 496725768 /nfs/dbraw/zinc/72/57/68/496725768.db2.gz SVZQIPMWTHECNT-INIZCTEOSA-N 1 1 360.439 3.348 20 5 FGBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000247112052 496783440 /nfs/dbraw/zinc/78/34/40/496783440.db2.gz YEXGSKYHHXUCNV-IRXDYDNUSA-N 1 1 374.485 3.120 20 5 FGBDMO C[C@@H](c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1)[NH+]1CCOCC1 ZINC000264470572 496907431 /nfs/dbraw/zinc/90/74/31/496907431.db2.gz RUZQRQJUNXYHOQ-HNNXBMFYSA-N 1 1 369.421 3.169 20 5 FGBDMO Cc1c(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000248073214 496951728 /nfs/dbraw/zinc/95/17/28/496951728.db2.gz QUGZIBKUDKTYNR-WMZOPIPTSA-N 1 1 354.410 3.470 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000248078805 496952631 /nfs/dbraw/zinc/95/26/31/496952631.db2.gz RMFWKJHMORNTCZ-IAGOWNOFSA-N 1 1 359.813 3.423 20 5 FGBDMO CC[C@@H]1c2ccsc2CC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248374967 496987202 /nfs/dbraw/zinc/98/72/02/496987202.db2.gz VHMFLWOMNQMARV-UKRRQHHQSA-N 1 1 362.451 3.405 20 5 FGBDMO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269680324 496988366 /nfs/dbraw/zinc/98/83/66/496988366.db2.gz XUXRRLFMEIELSS-MOPGFXCFSA-N 1 1 366.421 3.352 20 5 FGBDMO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269680324 496988373 /nfs/dbraw/zinc/98/83/73/496988373.db2.gz XUXRRLFMEIELSS-MOPGFXCFSA-N 1 1 366.421 3.352 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2nc(CN[C@H]3CC[N@H+]4CCCC[C@H]34)cs2)c1 ZINC000264943892 497015975 /nfs/dbraw/zinc/01/59/75/497015975.db2.gz HTQJGWBJKWQHPU-DLBZAZTESA-N 1 1 358.467 3.435 20 5 FGBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000278255387 497052283 /nfs/dbraw/zinc/05/22/83/497052283.db2.gz WIZFWVJNMXCXKR-ORAYPTAESA-N 1 1 361.445 3.306 20 5 FGBDMO COC(=O)COc1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000274421117 497094376 /nfs/dbraw/zinc/09/43/76/497094376.db2.gz DRRHJIAMCGWXGN-LBPRGKRZSA-N 1 1 362.357 3.137 20 5 FGBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000265724934 497169267 /nfs/dbraw/zinc/16/92/67/497169267.db2.gz NXYVWWYSCGEEIE-ZBFHGGJFSA-N 1 1 356.426 3.048 20 5 FGBDMO O=C(C[N@@H+]1CCCC2(CCOCC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000266005947 497230603 /nfs/dbraw/zinc/23/06/03/497230603.db2.gz KUUHSMUJSLBKEP-UHFFFAOYSA-N 1 1 367.833 3.079 20 5 FGBDMO O=C(C[N@H+]1CCCC2(CCOCC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000266005947 497230609 /nfs/dbraw/zinc/23/06/09/497230609.db2.gz KUUHSMUJSLBKEP-UHFFFAOYSA-N 1 1 367.833 3.079 20 5 FGBDMO CCc1[nH]nc(C(=O)Nc2cccc3c2C[N@@H+](CC(C)C)C3)c1[N+](=O)[O-] ZINC000271048750 497253409 /nfs/dbraw/zinc/25/34/09/497253409.db2.gz PUIWPQNDTJHKTI-UHFFFAOYSA-N 1 1 357.414 3.104 20 5 FGBDMO O=[N+]([O-])c1c(NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc2sccn21 ZINC000192955402 497258824 /nfs/dbraw/zinc/25/88/24/497258824.db2.gz WELNKADCAGHKOF-CQSZACIVSA-N 1 1 357.439 3.238 20 5 FGBDMO CCn1nccc1C1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000279113161 497337642 /nfs/dbraw/zinc/33/76/42/497337642.db2.gz SUHGVJASZXADTN-CQSZACIVSA-N 1 1 371.441 3.018 20 5 FGBDMO CCC[C@H](NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000271432618 497348180 /nfs/dbraw/zinc/34/81/80/497348180.db2.gz BFALIAKWHSUMJE-UFYCRDLUSA-N 1 1 361.486 3.403 20 5 FGBDMO CCc1nsc(N2CCC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000254916890 497353242 /nfs/dbraw/zinc/35/32/42/497353242.db2.gz ZIQUUHHECWFIRO-YVMONPNESA-N 1 1 373.482 3.234 20 5 FGBDMO CCc1nsc(N2CCC[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000254916890 497353248 /nfs/dbraw/zinc/35/32/48/497353248.db2.gz ZIQUUHHECWFIRO-YVMONPNESA-N 1 1 373.482 3.234 20 5 FGBDMO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCOc2ccccc21 ZINC000271653232 497409421 /nfs/dbraw/zinc/40/94/21/497409421.db2.gz VNIWBWLHLXXVNK-ZQIUZPCESA-N 1 1 369.421 3.274 20 5 FGBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000193641385 497434681 /nfs/dbraw/zinc/43/46/81/497434681.db2.gz JBADRKKZQXMCON-MRXNPFEDSA-N 1 1 374.466 3.178 20 5 FGBDMO C[C@H](c1nc2ccccc2o1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245530230 497442152 /nfs/dbraw/zinc/44/21/52/497442152.db2.gz CAUBCTHDLWBCEV-CHWSQXEVSA-N 1 1 353.382 3.378 20 5 FGBDMO C[C@H](c1nc2ccccc2o1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245530230 497442157 /nfs/dbraw/zinc/44/21/57/497442157.db2.gz CAUBCTHDLWBCEV-CHWSQXEVSA-N 1 1 353.382 3.378 20 5 FGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266928997 497448846 /nfs/dbraw/zinc/44/88/46/497448846.db2.gz NXPXPJBZHUFWCQ-GXTWGEPZSA-N 1 1 368.397 3.309 20 5 FGBDMO COc1cccc2c1CC[N@@H+]([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)CC2 ZINC000193713393 497455523 /nfs/dbraw/zinc/45/55/23/497455523.db2.gz UEJQFQBOBHDREM-CQSZACIVSA-N 1 1 369.421 3.031 20 5 FGBDMO COc1cccc2c1CC[N@H+]([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)CC2 ZINC000193713393 497455527 /nfs/dbraw/zinc/45/55/27/497455527.db2.gz UEJQFQBOBHDREM-CQSZACIVSA-N 1 1 369.421 3.031 20 5 FGBDMO C[C@@H]1OCC[C@]1(O)C[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000572206548 505914231 /nfs/dbraw/zinc/91/42/31/505914231.db2.gz ZJGLSDFOBSMCOZ-KSSFIOAISA-N 1 1 362.451 3.198 20 5 FGBDMO C[C@@H]1OCC[C@]1(O)C[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000572206548 505914234 /nfs/dbraw/zinc/91/42/34/505914234.db2.gz ZJGLSDFOBSMCOZ-KSSFIOAISA-N 1 1 362.451 3.198 20 5 FGBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000279794651 497543963 /nfs/dbraw/zinc/54/39/63/497543963.db2.gz VUQMFLPCOOETEV-HNNXBMFYSA-N 1 1 373.409 3.153 20 5 FGBDMO O=C1[C@@H]([N@H+]2CC[C@@H](c3ccccc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000246006978 497594395 /nfs/dbraw/zinc/59/43/95/497594395.db2.gz GHSNFMMQKCCLGH-APWZRJJASA-N 1 1 351.406 3.190 20 5 FGBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000246092502 497619403 /nfs/dbraw/zinc/61/94/03/497619403.db2.gz JBRMZYYVCVGLEB-KGLIPLIRSA-N 1 1 371.359 3.312 20 5 FGBDMO C[C@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000272579525 497668340 /nfs/dbraw/zinc/66/83/40/497668340.db2.gz XTTNGUWYRWKDOJ-GPMSIDNRSA-N 1 1 371.485 3.128 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]CC1(CCO)CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272583155 497669586 /nfs/dbraw/zinc/66/95/86/497669586.db2.gz YQRYSTQMYCCGEJ-GOSISDBHSA-N 1 1 372.469 3.340 20 5 FGBDMO COc1cc(CN2CC[N@H+](C)C[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000246308768 497690948 /nfs/dbraw/zinc/69/09/48/497690948.db2.gz QTBSYTVJFCGAMZ-GOSISDBHSA-N 1 1 371.437 3.101 20 5 FGBDMO COc1cc(CN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000246308768 497690952 /nfs/dbraw/zinc/69/09/52/497690952.db2.gz QTBSYTVJFCGAMZ-GOSISDBHSA-N 1 1 371.437 3.101 20 5 FGBDMO COc1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000272810461 497736177 /nfs/dbraw/zinc/73/61/77/497736177.db2.gz JDYOVFCXUMGSEQ-BBRMVZONSA-N 1 1 374.441 3.084 20 5 FGBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000578430851 505937849 /nfs/dbraw/zinc/93/78/49/505937849.db2.gz SOBYKJHMAOWXES-HXUWFJFHSA-N 1 1 354.454 3.476 20 5 FGBDMO Cn1ccnc1[C@H]1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000578450669 505943057 /nfs/dbraw/zinc/94/30/57/505943057.db2.gz IHMCHFLZFIDCHN-HNNXBMFYSA-N 1 1 367.409 3.015 20 5 FGBDMO C[C@@H]1Cc2[nH+]cn(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)c2C[C@H]1C ZINC000296023099 497893975 /nfs/dbraw/zinc/89/39/75/497893975.db2.gz RIWUSPDCJPLMED-VXGBXAGGSA-N 1 1 353.382 3.260 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccncc3)CC2)cc1C(F)(F)F ZINC000301055621 497931684 /nfs/dbraw/zinc/93/16/84/497931684.db2.gz CKWABPRHCQUXPU-UHFFFAOYSA-N 1 1 366.343 3.331 20 5 FGBDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1csc([N+](=O)[O-])c1 ZINC000281121937 498027748 /nfs/dbraw/zinc/02/77/48/498027748.db2.gz VKTJQCROFKVFLZ-GDBMZVCRSA-N 1 1 357.435 3.413 20 5 FGBDMO C[C@H](c1cccnc1)[NH+]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000301271988 498032557 /nfs/dbraw/zinc/03/25/57/498032557.db2.gz HUSOWLLFQZNOGH-OAHLLOKOSA-N 1 1 363.421 3.421 20 5 FGBDMO CNC(=O)c1ccc(NC[C@H]2CCC[N@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000301306547 498048802 /nfs/dbraw/zinc/04/88/02/498048802.db2.gz VCJZOSLZTQTDIU-QGZVFWFLSA-N 1 1 368.437 3.031 20 5 FGBDMO Cc1cc(N(C)C[C@H]2CCC[N@@H+](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301352296 498069972 /nfs/dbraw/zinc/06/99/72/498069972.db2.gz LSRYYLMNYQRZRG-HNNXBMFYSA-N 1 1 355.442 3.138 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CCC[N@H+](C3CCOCC3)CC2)c(C(F)(F)F)c1 ZINC000301354933 498070557 /nfs/dbraw/zinc/07/05/57/498070557.db2.gz KKOMAFBMKAWZPT-UHFFFAOYSA-N 1 1 373.375 3.305 20 5 FGBDMO C[C@H](NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000296513903 498074423 /nfs/dbraw/zinc/07/44/23/498074423.db2.gz CPUNBYMPTKAZEJ-QOKNQOGYSA-N 1 1 372.469 3.314 20 5 FGBDMO CCOc1cc(NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000301423732 498103903 /nfs/dbraw/zinc/10/39/03/498103903.db2.gz AVQMQDMBOHDIAG-OKILXGFUSA-N 1 1 351.447 3.293 20 5 FGBDMO CC[C@@H](C)[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC(=O)OC ZINC000281327993 498107912 /nfs/dbraw/zinc/10/79/12/498107912.db2.gz LSPSEUNADLANCX-CYBMUJFWSA-N 1 1 361.398 3.066 20 5 FGBDMO CC[C@@H](C)[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC(=O)OC ZINC000281327993 498107913 /nfs/dbraw/zinc/10/79/13/498107913.db2.gz LSPSEUNADLANCX-CYBMUJFWSA-N 1 1 361.398 3.066 20 5 FGBDMO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000364727100 498116435 /nfs/dbraw/zinc/11/64/35/498116435.db2.gz CRGHQHANOQUJFQ-NWDGAFQWSA-N 1 1 372.347 3.362 20 5 FGBDMO Cc1noc([C@@H]2CCCC[N@@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1 ZINC000285595119 498141392 /nfs/dbraw/zinc/14/13/92/498141392.db2.gz JJSHMVJACFJMOM-INIZCTEOSA-N 1 1 373.413 3.150 20 5 FGBDMO Cc1noc([C@@H]2CCCC[N@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1 ZINC000285595119 498141399 /nfs/dbraw/zinc/14/13/99/498141399.db2.gz JJSHMVJACFJMOM-INIZCTEOSA-N 1 1 373.413 3.150 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000289440979 498146807 /nfs/dbraw/zinc/14/68/07/498146807.db2.gz DTSBFRCFFIBMRP-HKUYNNGSSA-N 1 1 373.453 3.265 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@@H](C3CCOCC3)C2)c1 ZINC000330613091 498159693 /nfs/dbraw/zinc/15/96/93/498159693.db2.gz QWKGFWAIYQICGC-CYBMUJFWSA-N 1 1 356.369 3.445 20 5 FGBDMO Cc1n[nH]c([C@H]2CCCN(Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)n1 ZINC000292869027 498176577 /nfs/dbraw/zinc/17/65/77/498176577.db2.gz SEBVEBRTWDCDDH-NSHDSACASA-N 1 1 369.347 3.420 20 5 FGBDMO CC(C)(C)[C@@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1O ZINC000330853382 498206421 /nfs/dbraw/zinc/20/64/21/498206421.db2.gz MOXHSJBJLFOLIC-SJORKVTESA-N 1 1 359.426 3.479 20 5 FGBDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1O ZINC000330853382 498206424 /nfs/dbraw/zinc/20/64/24/498206424.db2.gz MOXHSJBJLFOLIC-SJORKVTESA-N 1 1 359.426 3.479 20 5 FGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2cccc(N3CCOCC3)c2)c1 ZINC000292952326 498210111 /nfs/dbraw/zinc/21/01/11/498210111.db2.gz KSGSHKBJFXMVIL-UHFFFAOYSA-N 1 1 361.829 3.375 20 5 FGBDMO CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCc2cccnc21 ZINC000365002513 498248937 /nfs/dbraw/zinc/24/89/37/498248937.db2.gz VEUUHEJAFFVNCJ-SFHVURJKSA-N 1 1 368.437 3.352 20 5 FGBDMO CC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCc2cccnc21 ZINC000365002513 498248941 /nfs/dbraw/zinc/24/89/41/498248941.db2.gz VEUUHEJAFFVNCJ-SFHVURJKSA-N 1 1 368.437 3.352 20 5 FGBDMO C[N@H+]1CCC[C@H](CNc2cccc(C(N)=O)c2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000578732499 506007845 /nfs/dbraw/zinc/00/78/45/506007845.db2.gz GQBUEPRIZWQEEI-CRAIPNDOSA-N 1 1 368.437 3.189 20 5 FGBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCOC(C)(C)C1 ZINC000289743650 498273700 /nfs/dbraw/zinc/27/37/00/498273700.db2.gz JUHFGYBFGKLSKM-CYBMUJFWSA-N 1 1 369.849 3.466 20 5 FGBDMO CCOc1cc(N2CCN(c3cc[nH+]cc3Cl)CC2)ccc1[N+](=O)[O-] ZINC000301878992 498308618 /nfs/dbraw/zinc/30/86/18/498308618.db2.gz ZHIQDFXALCKCLD-UHFFFAOYSA-N 1 1 362.817 3.369 20 5 FGBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)CC[C@@H]21 ZINC000293384422 498366274 /nfs/dbraw/zinc/36/62/74/498366274.db2.gz NTJOTGBFXMOHDU-NHYWBVRUSA-N 1 1 371.359 3.170 20 5 FGBDMO CC[NH+]1CCN(C(=O)Cc2ccc(Nc3sccc3[N+](=O)[O-])cc2)CC1 ZINC000302017509 498369203 /nfs/dbraw/zinc/36/92/03/498369203.db2.gz MFWIXCZAURWBLV-UHFFFAOYSA-N 1 1 374.466 3.107 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000302167120 498424834 /nfs/dbraw/zinc/42/48/34/498424834.db2.gz RYRLIWZOQMCJIY-GASCZTMLSA-N 1 1 355.442 3.475 20 5 FGBDMO C[C@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000293739683 498472622 /nfs/dbraw/zinc/47/26/22/498472622.db2.gz REBDFBIVBYMUCF-GFCCVEGCSA-N 1 1 351.834 3.195 20 5 FGBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000297598366 498506095 /nfs/dbraw/zinc/50/60/95/498506095.db2.gz HAAGWGHYWBZUIQ-IINYFYTJSA-N 1 1 359.348 3.026 20 5 FGBDMO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000331973005 498518544 /nfs/dbraw/zinc/51/85/44/498518544.db2.gz SLKHTUVSWIDDRV-GFCCVEGCSA-N 1 1 371.359 3.360 20 5 FGBDMO O=[N+]([O-])c1cc(F)ccc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000302779692 498570172 /nfs/dbraw/zinc/57/01/72/498570172.db2.gz HZHRIXRMRPFTKD-QGZVFWFLSA-N 1 1 359.401 3.437 20 5 FGBDMO Cc1cccnc1CCC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000294695297 498776221 /nfs/dbraw/zinc/77/62/21/498776221.db2.gz AYHGUKLNHKFUKG-IBGZPJMESA-N 1 1 365.437 3.344 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)N2CCC[C@H]2[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000363352984 498777053 /nfs/dbraw/zinc/77/70/53/498777053.db2.gz QKZREDFRKDOWMM-XIRDDKMYSA-N 1 1 360.458 3.232 20 5 FGBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000294727368 498784642 /nfs/dbraw/zinc/78/46/42/498784642.db2.gz NABAQNIZQWKZFW-GFCCVEGCSA-N 1 1 373.375 3.464 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000319339396 498802282 /nfs/dbraw/zinc/80/22/82/498802282.db2.gz SVOWZCCEIQJULU-FMKPAKJESA-N 1 1 369.259 3.483 20 5 FGBDMO O=C(CC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000283352254 498860088 /nfs/dbraw/zinc/86/00/88/498860088.db2.gz RBDDTBUOEFLGSI-RHSMWYFYSA-N 1 1 373.409 3.105 20 5 FGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000295092929 498906860 /nfs/dbraw/zinc/90/68/60/498906860.db2.gz GFCHYPOXSKMDBE-CRAIPNDOSA-N 1 1 370.453 3.286 20 5 FGBDMO Cc1cc(Cl)c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000295106599 498911648 /nfs/dbraw/zinc/91/16/48/498911648.db2.gz ZOITVKIEAQOUKK-WFASDCNBSA-N 1 1 351.834 3.113 20 5 FGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000295135254 498921348 /nfs/dbraw/zinc/92/13/48/498921348.db2.gz LMMQDUVZOMEQBC-BEFAXECRSA-N 1 1 370.453 3.286 20 5 FGBDMO CO[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000363669065 498934888 /nfs/dbraw/zinc/93/48/88/498934888.db2.gz BETDCCANXNDFMY-AAEUAGOBSA-N 1 1 355.822 3.076 20 5 FGBDMO CO[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000363669065 498934895 /nfs/dbraw/zinc/93/48/95/498934895.db2.gz BETDCCANXNDFMY-AAEUAGOBSA-N 1 1 355.822 3.076 20 5 FGBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000295328991 498980290 /nfs/dbraw/zinc/98/02/90/498980290.db2.gz TXNHVCMLOAJEIQ-NSHDSACASA-N 1 1 359.348 3.027 20 5 FGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc([N+](=O)[O-])c(C)cc1F ZINC000283931738 499015192 /nfs/dbraw/zinc/01/51/92/499015192.db2.gz KPBBCBJQRWINGE-OLZOCXBDSA-N 1 1 350.394 3.133 20 5 FGBDMO CCOc1cc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)ccc1[N+](=O)[O-] ZINC000366787226 499074206 /nfs/dbraw/zinc/07/42/06/499074206.db2.gz KUKYEJLBIDIJDR-YZVOILCLSA-N 1 1 364.442 3.152 20 5 FGBDMO CCOc1cc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)ccc1[N+](=O)[O-] ZINC000366787226 499074211 /nfs/dbraw/zinc/07/42/11/499074211.db2.gz KUKYEJLBIDIJDR-YZVOILCLSA-N 1 1 364.442 3.152 20 5 FGBDMO Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000366808140 499081031 /nfs/dbraw/zinc/08/10/31/499081031.db2.gz LCKGIBSZOLIQGC-AEFFLSMTSA-N 1 1 357.385 3.218 20 5 FGBDMO Cc1cccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000366808140 499081032 /nfs/dbraw/zinc/08/10/32/499081032.db2.gz LCKGIBSZOLIQGC-AEFFLSMTSA-N 1 1 357.385 3.218 20 5 FGBDMO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCN(CCc2ccncc2)CC1 ZINC000364035565 499094703 /nfs/dbraw/zinc/09/47/03/499094703.db2.gz QOQIHMKDBKQJBL-UHFFFAOYSA-N 1 1 354.454 3.129 20 5 FGBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CCN(CCc2ccncc2)CC1 ZINC000364035565 499094708 /nfs/dbraw/zinc/09/47/08/499094708.db2.gz QOQIHMKDBKQJBL-UHFFFAOYSA-N 1 1 354.454 3.129 20 5 FGBDMO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000372734163 499167760 /nfs/dbraw/zinc/16/77/60/499167760.db2.gz BVNSNYCZRZEMCX-LFRPXUGBSA-N 1 1 362.429 3.032 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000370045656 499170886 /nfs/dbraw/zinc/17/08/86/499170886.db2.gz NBJBIULPKXXVMF-UHFFFAOYSA-N 1 1 355.398 3.048 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000370045656 499170888 /nfs/dbraw/zinc/17/08/88/499170888.db2.gz NBJBIULPKXXVMF-UHFFFAOYSA-N 1 1 355.398 3.048 20 5 FGBDMO C[N@H+]1CC[C@@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000370327964 499209920 /nfs/dbraw/zinc/20/99/20/499209920.db2.gz XPPVSQIWYFSSSB-KXBFYZLASA-N 1 1 373.478 3.398 20 5 FGBDMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)[C@H]1c1cccc(Cl)c1 ZINC000370524084 499228566 /nfs/dbraw/zinc/22/85/66/499228566.db2.gz RPFYDGXIKRBTDK-SUMWQHHRSA-N 1 1 374.828 3.066 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCCN(C(=O)c2ccccn2)CC1 ZINC000367899616 499243237 /nfs/dbraw/zinc/24/32/37/499243237.db2.gz DEONCGSWQAUMIV-MRXNPFEDSA-N 1 1 368.437 3.207 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCCN(C(=O)c2ccccn2)CC1 ZINC000367899616 499243238 /nfs/dbraw/zinc/24/32/38/499243238.db2.gz DEONCGSWQAUMIV-MRXNPFEDSA-N 1 1 368.437 3.207 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000368581904 499310023 /nfs/dbraw/zinc/31/00/23/499310023.db2.gz SVMUUBYRMAJDGG-OAHLLOKOSA-N 1 1 357.454 3.240 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@H](c4nnc[nH]4)C3)o2)cc1 ZINC000371335917 499312420 /nfs/dbraw/zinc/31/24/20/499312420.db2.gz MNBVVWNJSFUQCM-AWEZNQCLSA-N 1 1 353.382 3.353 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc(F)cc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000371608911 499346957 /nfs/dbraw/zinc/34/69/57/499346957.db2.gz VIYUEUKQEZKDHE-UHFFFAOYSA-N 1 1 355.329 3.184 20 5 FGBDMO O=C(Nc1ccccn1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000371699869 499356697 /nfs/dbraw/zinc/35/66/97/499356697.db2.gz KPFOJHJXKUUOFR-UHFFFAOYSA-N 1 1 374.828 3.494 20 5 FGBDMO C[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[C@H]1c1cccc(Cl)c1 ZINC000369358945 499395326 /nfs/dbraw/zinc/39/53/26/499395326.db2.gz OETSSPCWJRSFAJ-MLGOLLRUSA-N 1 1 363.801 3.264 20 5 FGBDMO Cn1cc(C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c(-c2cccs2)n1 ZINC000372271663 499415685 /nfs/dbraw/zinc/41/56/85/499415685.db2.gz CVMTZXQSDUTBDU-CQSZACIVSA-N 1 1 372.454 3.090 20 5 FGBDMO Cc1c(C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2cccs2)cccc1[N+](=O)[O-] ZINC000369568521 499419228 /nfs/dbraw/zinc/41/92/28/499419228.db2.gz LFKCXXXOZCKJCE-GUYCJALGSA-N 1 1 359.451 3.388 20 5 FGBDMO Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000369568157 499419263 /nfs/dbraw/zinc/41/92/63/499419263.db2.gz KCAPDVNQSZATNX-YOEHRIQHSA-N 1 1 359.451 3.388 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2noc(C(F)F)n2)CC1 ZINC000373288178 499461768 /nfs/dbraw/zinc/46/17/68/499461768.db2.gz XMXQQWMKJIQBFO-UHFFFAOYSA-N 1 1 368.340 3.304 20 5 FGBDMO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000373323693 499463406 /nfs/dbraw/zinc/46/34/06/499463406.db2.gz YROONHUPRZIQGK-OCCSQVGLSA-N 1 1 371.359 3.104 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(CO)(Nc2ccccc2)CC1 ZINC000373777869 499487484 /nfs/dbraw/zinc/48/74/84/499487484.db2.gz PIMGTCFOXOOJEG-UHFFFAOYSA-N 1 1 371.437 3.042 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](OCc2csc(C)n2)C1 ZINC000375390676 499513248 /nfs/dbraw/zinc/51/32/48/499513248.db2.gz HWRGIFGOQJMEPU-MRXNPFEDSA-N 1 1 363.439 3.159 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](OCc2csc(C)n2)C1 ZINC000375390676 499513249 /nfs/dbraw/zinc/51/32/49/499513249.db2.gz HWRGIFGOQJMEPU-MRXNPFEDSA-N 1 1 363.439 3.159 20 5 FGBDMO CC(C)[C@]1(CO)CC[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000377684505 499719492 /nfs/dbraw/zinc/71/94/92/499719492.db2.gz WTVSAMIPDZOFPG-SCLBCKFNSA-N 1 1 360.414 3.046 20 5 FGBDMO CC(C)c1[nH+]ccn1C[C@H]1CCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000377726211 499725548 /nfs/dbraw/zinc/72/55/48/499725548.db2.gz WPUKUNDZWQVIHV-OAHLLOKOSA-N 1 1 371.441 3.018 20 5 FGBDMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411326537 499726343 /nfs/dbraw/zinc/72/63/43/499726343.db2.gz NFHFQYMVEWMGBF-AWEZNQCLSA-N 1 1 357.410 3.192 20 5 FGBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000411436428 499740263 /nfs/dbraw/zinc/74/02/63/499740263.db2.gz FPEOIMHDKLFBTL-AYOQOUSVSA-N 1 1 359.470 3.327 20 5 FGBDMO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000411532682 499751967 /nfs/dbraw/zinc/75/19/67/499751967.db2.gz ZMIRQKYDGNUNHF-RDTXWAMCSA-N 1 1 354.410 3.402 20 5 FGBDMO COc1cc(NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c([N+](=O)[O-])cc1F ZINC000377996975 499754249 /nfs/dbraw/zinc/75/42/49/499754249.db2.gz VOMPCHMQISSXJO-UGSOOPFHSA-N 1 1 360.389 3.242 20 5 FGBDMO COc1ccc(NC(=O)CCn2c[nH+]c3c2C[C@@H](C)[C@@H](C)C3)c([N+](=O)[O-])c1 ZINC000411804566 499792700 /nfs/dbraw/zinc/79/27/00/499792700.db2.gz XAXXPQANBOYFIW-QWHCGFSZSA-N 1 1 372.425 3.200 20 5 FGBDMO C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[N@H+]1Cc1ccccc1 ZINC000411981878 499808921 /nfs/dbraw/zinc/80/89/21/499808921.db2.gz JLLPSMWREXPGDE-HNNXBMFYSA-N 1 1 366.421 3.442 20 5 FGBDMO O=C(CC[N@H+]1CCC[C@H](Oc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000411979772 499809058 /nfs/dbraw/zinc/80/90/58/499809058.db2.gz FZUJZKUHPDALEI-KRWDZBQOSA-N 1 1 369.421 3.467 20 5 FGBDMO NC(=O)c1ccc(C[N@H+]2C[C@H](c3ccccc3)C3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000411994120 499811296 /nfs/dbraw/zinc/81/12/96/499811296.db2.gz YUQWPXNYSTVETE-GOSISDBHSA-N 1 1 365.433 3.463 20 5 FGBDMO Cc1ccc(Sc2ccc(C[NH2+]C[C@@H]3CNCCO3)cc2[N+](=O)[O-])cc1 ZINC000415099772 499863416 /nfs/dbraw/zinc/86/34/16/499863416.db2.gz ZEPDRWAUCDKDDQ-INIZCTEOSA-N 1 1 373.478 3.132 20 5 FGBDMO CC[C@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000429206757 500023732 /nfs/dbraw/zinc/02/37/32/500023732.db2.gz GWWNKIUHXCGAGI-PWSUYJOCSA-N 1 1 362.257 3.183 20 5 FGBDMO CC[C@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000429206757 500023734 /nfs/dbraw/zinc/02/37/34/500023734.db2.gz GWWNKIUHXCGAGI-PWSUYJOCSA-N 1 1 362.257 3.183 20 5 FGBDMO CC(C)([NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1ccccc1[N+](=O)[O-] ZINC000429241811 500032543 /nfs/dbraw/zinc/03/25/43/500032543.db2.gz ZAKYZEBLZTVNFX-GFCCVEGCSA-N 1 1 373.375 3.220 20 5 FGBDMO CCN1CCN(C[C@H](C)C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417304355 500034459 /nfs/dbraw/zinc/03/44/59/500034459.db2.gz FHACUJCXGOKGHR-UTKZUKDTSA-N 1 1 374.529 3.226 20 5 FGBDMO COc1ccc(CN(C)C(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000429257373 500035951 /nfs/dbraw/zinc/03/59/51/500035951.db2.gz CYACKCZXFXGRMB-UHFFFAOYSA-N 1 1 371.437 3.087 20 5 FGBDMO C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C[C@H]1CCCC[C@H]1O ZINC000425457562 500112133 /nfs/dbraw/zinc/11/21/33/500112133.db2.gz LHHUXNRZYGYSAD-IUODEOHRSA-N 1 1 357.248 3.340 20 5 FGBDMO CCOC(=O)C[C@@H](C)[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425458055 500112262 /nfs/dbraw/zinc/11/22/62/500112262.db2.gz LVSLZFFAEQRHRM-SNVBAGLBSA-N 1 1 359.220 3.131 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000421710111 500125498 /nfs/dbraw/zinc/12/54/98/500125498.db2.gz IWDKCRNADZSTBD-CQSZACIVSA-N 1 1 351.472 3.263 20 5 FGBDMO CC(C)c1nc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c2ccccn21 ZINC000582305841 506182261 /nfs/dbraw/zinc/18/22/61/506182261.db2.gz PUERXIAGHOJFSN-UHFFFAOYSA-N 1 1 368.441 3.400 20 5 FGBDMO CC(C)c1nc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c2ccccn21 ZINC000582305841 506182262 /nfs/dbraw/zinc/18/22/62/506182262.db2.gz PUERXIAGHOJFSN-UHFFFAOYSA-N 1 1 368.441 3.400 20 5 FGBDMO COc1cc(C[NH+]2CCC(OC3CCC3)CC2)c([N+](=O)[O-])cc1OC ZINC000418093612 500228128 /nfs/dbraw/zinc/22/81/28/500228128.db2.gz QYGVALSYTWYUFE-UHFFFAOYSA-N 1 1 350.415 3.146 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@@H](c4ccncc4)C3)o2)cc1 ZINC000582339052 506190643 /nfs/dbraw/zinc/19/06/43/506190643.db2.gz KSSPIQOBXKEBPY-OAHLLOKOSA-N 1 1 351.366 3.029 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCSC[C@H]1C1CCC1 ZINC000419372053 500358941 /nfs/dbraw/zinc/35/89/41/500358941.db2.gz KAANUFXUFLPSBF-KRWDZBQOSA-N 1 1 363.483 3.449 20 5 FGBDMO CC[N@@H+](CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)CCC(F)(F)F ZINC000427276163 500376891 /nfs/dbraw/zinc/37/68/91/500376891.db2.gz NTXOCTZSEVCJPX-UHFFFAOYSA-N 1 1 373.331 3.345 20 5 FGBDMO C[C@]12CCC[N@@H+]1C[C@H](c1noc([C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)n1)OC2 ZINC000420499776 500467630 /nfs/dbraw/zinc/46/76/30/500467630.db2.gz QRBONAWRPQDKTG-WFXMFSGNSA-N 1 1 370.409 3.175 20 5 FGBDMO C[C@]12CCC[N@H+]1C[C@H](c1noc([C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)n1)OC2 ZINC000420499776 500467631 /nfs/dbraw/zinc/46/76/31/500467631.db2.gz QRBONAWRPQDKTG-WFXMFSGNSA-N 1 1 370.409 3.175 20 5 FGBDMO CCC[C@@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])CC[N@H+]1CCOC ZINC000432326146 500499333 /nfs/dbraw/zinc/49/93/33/500499333.db2.gz ACBXZZIWTYIOHL-OAHLLOKOSA-N 1 1 358.442 3.080 20 5 FGBDMO O=C(C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000420945562 500537763 /nfs/dbraw/zinc/53/77/63/500537763.db2.gz KZRWDRLAKDHLGM-LBPRGKRZSA-N 1 1 371.359 3.148 20 5 FGBDMO O=C(C[N@H+]1CCC[C@@H](CC(F)(F)F)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000420945562 500537766 /nfs/dbraw/zinc/53/77/66/500537766.db2.gz KZRWDRLAKDHLGM-LBPRGKRZSA-N 1 1 371.359 3.148 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@@H](O)CC23CCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000420990796 500549630 /nfs/dbraw/zinc/54/96/30/500549630.db2.gz GRHPSQCKKWCCKW-GFCCVEGCSA-N 1 1 372.368 3.084 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@H](O)CC23CCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000420990796 500549632 /nfs/dbraw/zinc/54/96/32/500549632.db2.gz GRHPSQCKKWCCKW-GFCCVEGCSA-N 1 1 372.368 3.084 20 5 FGBDMO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000428780716 500556204 /nfs/dbraw/zinc/55/62/04/500556204.db2.gz CMAQGUUAGNSKCD-LJQANCHMSA-N 1 1 358.369 3.051 20 5 FGBDMO COC(=O)[C@@]1(c2ccccc2)CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000428810348 500560201 /nfs/dbraw/zinc/56/02/01/500560201.db2.gz XSEZMRSVJIEZBH-YWZLYKJASA-N 1 1 354.406 3.473 20 5 FGBDMO COc1cc(N2CCC(Oc3cc[nH+]cc3C)CC2)c(F)cc1[N+](=O)[O-] ZINC000447668876 500642418 /nfs/dbraw/zinc/64/24/18/500642418.db2.gz DBPROLQFXKOGQB-UHFFFAOYSA-N 1 1 361.373 3.494 20 5 FGBDMO Cc1c(CC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)cccc1[N+](=O)[O-] ZINC000437855163 500707494 /nfs/dbraw/zinc/70/74/94/500707494.db2.gz WPGDLGYDUNLFPF-SFHVURJKSA-N 1 1 359.470 3.359 20 5 FGBDMO CC[N@@H+]1C[C@H](C)N(C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C[C@H]1C ZINC000448342488 500750049 /nfs/dbraw/zinc/75/00/49/500750049.db2.gz QTOXTOBJCKBHQI-MNOVXSKESA-N 1 1 359.348 3.168 20 5 FGBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C[C@H]1C ZINC000448342488 500750052 /nfs/dbraw/zinc/75/00/52/500750052.db2.gz QTOXTOBJCKBHQI-MNOVXSKESA-N 1 1 359.348 3.168 20 5 FGBDMO C[C@]1(c2ccccc2)CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000438494188 500792660 /nfs/dbraw/zinc/79/26/60/500792660.db2.gz SHVFTRHPIIGFFU-CTNGQTDRSA-N 1 1 365.433 3.364 20 5 FGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000434416943 500839842 /nfs/dbraw/zinc/83/98/42/500839842.db2.gz RKDBLOGJBADHKB-CJNGLKHVSA-N 1 1 363.483 3.209 20 5 FGBDMO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444662137 500874046 /nfs/dbraw/zinc/87/40/46/500874046.db2.gz JADDADVJXFSABI-XIKOKIGWSA-N 1 1 352.394 3.295 20 5 FGBDMO C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444662137 500874051 /nfs/dbraw/zinc/87/40/51/500874051.db2.gz JADDADVJXFSABI-XIKOKIGWSA-N 1 1 352.394 3.295 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)CCCOCc1ccccc1 ZINC000439476471 500902705 /nfs/dbraw/zinc/90/27/05/500902705.db2.gz HROYZBUXEBTJTN-UHFFFAOYSA-N 1 1 371.437 3.380 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)CCCOCc1ccccc1 ZINC000439476471 500902707 /nfs/dbraw/zinc/90/27/07/500902707.db2.gz HROYZBUXEBTJTN-UHFFFAOYSA-N 1 1 371.437 3.380 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCCOCc1ccccc1 ZINC000439485482 500904990 /nfs/dbraw/zinc/90/49/90/500904990.db2.gz IGLAXGFMPGRACW-MRXNPFEDSA-N 1 1 371.437 3.461 20 5 FGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000449042246 500909388 /nfs/dbraw/zinc/90/93/88/500909388.db2.gz QPFOIOPJTVGICJ-KRWDZBQOSA-N 1 1 368.481 3.385 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000439884066 500950311 /nfs/dbraw/zinc/95/03/11/500950311.db2.gz VUGNOFASLWGOIP-KGLIPLIRSA-N 1 1 364.446 3.235 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]CCCC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000449354476 500985312 /nfs/dbraw/zinc/98/53/12/500985312.db2.gz NUOCAFDLZUOWTQ-SFHVURJKSA-N 1 1 358.442 3.214 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@@H](OC)[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000449493547 501017096 /nfs/dbraw/zinc/01/70/96/501017096.db2.gz FBAHNYXQQKKPED-ZWNOBZJWSA-N 1 1 360.357 3.062 20 5 FGBDMO COC(=O)c1cc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cn1C ZINC000449499149 501018575 /nfs/dbraw/zinc/01/85/75/501018575.db2.gz LNFGKVKLGGVXEM-MRXNPFEDSA-N 1 1 357.410 3.100 20 5 FGBDMO COc1cc(C[N@H+](C)[C@@H]2C[C@H](OC)C23CCC3)c([N+](=O)[O-])cc1OC ZINC000449629889 501046657 /nfs/dbraw/zinc/04/66/57/501046657.db2.gz GUSBOXNMXSSADN-SJORKVTESA-N 1 1 350.415 3.001 20 5 FGBDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000449630398 501046723 /nfs/dbraw/zinc/04/67/23/501046723.db2.gz HUENVUNUSJYUSU-MSOLQXFVSA-N 1 1 370.453 3.385 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@@]3(CCOC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000449684041 501062417 /nfs/dbraw/zinc/06/24/17/501062417.db2.gz KKWIYZCXJSFDIM-QGZVFWFLSA-N 1 1 372.368 3.207 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@]3(CCSC3)C2)c2c(c1)COCO2 ZINC000449737644 501072086 /nfs/dbraw/zinc/07/20/86/501072086.db2.gz ZKDOPPCSQYDORF-KRWDZBQOSA-N 1 1 350.440 3.180 20 5 FGBDMO CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000449746799 501074078 /nfs/dbraw/zinc/07/40/78/501074078.db2.gz UDZLKNUMLHBEFF-OAHLLOKOSA-N 1 1 372.425 3.090 20 5 FGBDMO COc1cccc([C@@H]2[C@@H](Nc3ncc([N+](=O)[O-])c(C)n3)CC[N@H+]2C2CC2)c1 ZINC000450428526 501119528 /nfs/dbraw/zinc/11/95/28/501119528.db2.gz IKGVPEDFVQJLCW-FUHWJXTLSA-N 1 1 369.425 3.092 20 5 FGBDMO COc1cccc([C@@H]2[C@H](Nc3ncc([N+](=O)[O-])c(C)n3)CC[N@H+]2C2CC2)c1 ZINC000450428527 501119626 /nfs/dbraw/zinc/11/96/26/501119626.db2.gz IKGVPEDFVQJLCW-SJLPKXTDSA-N 1 1 369.425 3.092 20 5 FGBDMO COc1ccc(OCC[N@@H+](C)[C@@H](CCO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000441421298 501136676 /nfs/dbraw/zinc/13/66/76/501136676.db2.gz IETYEOXTNPFSME-KRWDZBQOSA-N 1 1 360.410 3.038 20 5 FGBDMO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000450532086 501146983 /nfs/dbraw/zinc/14/69/83/501146983.db2.gz MTYVKZASNFXQBS-CXAGYDPISA-N 1 1 374.466 3.018 20 5 FGBDMO Cc1cc(NC[C@@H]2CCC[N@H+]2CCCO)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000450593053 501162415 /nfs/dbraw/zinc/16/24/15/501162415.db2.gz IFUKZQOAUGGCJV-LBPRGKRZSA-N 1 1 361.364 3.181 20 5 FGBDMO CCS(=O)(=O)c1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000450938993 501233512 /nfs/dbraw/zinc/23/35/12/501233512.db2.gz LPSDHYYRMZWLBY-UHFFFAOYSA-N 1 1 362.451 3.063 20 5 FGBDMO CCS(=O)(=O)c1ccc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000450938993 501233514 /nfs/dbraw/zinc/23/35/14/501233514.db2.gz LPSDHYYRMZWLBY-UHFFFAOYSA-N 1 1 362.451 3.063 20 5 FGBDMO C[C@@H]1Cc2[nH+]cn(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])c2C[C@H]1C ZINC000451340376 501270109 /nfs/dbraw/zinc/27/01/09/501270109.db2.gz KVIQTDNWHLJZHZ-GHMZBOCLSA-N 1 1 362.817 3.454 20 5 FGBDMO C[C@@]12C[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451379090 501279462 /nfs/dbraw/zinc/27/94/62/501279462.db2.gz YXDONZAYGVMGSK-AGLNLLDASA-N 1 1 352.394 3.289 20 5 FGBDMO CNC(=O)c1cccc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000451544874 501318466 /nfs/dbraw/zinc/31/84/66/501318466.db2.gz GBVPJHZRVZBSMP-SFHVURJKSA-N 1 1 353.422 3.334 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]CCC1CC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000453420048 501327712 /nfs/dbraw/zinc/32/77/12/501327712.db2.gz LJAIWVUYDBMKPV-HNNXBMFYSA-N 1 1 350.369 3.443 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(Cc2cccc(F)c2F)CC1 ZINC000451963359 501409784 /nfs/dbraw/zinc/40/97/84/501409784.db2.gz YVYHMRIYBWHEPP-UHFFFAOYSA-N 1 1 350.369 3.061 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)c1 ZINC000456332464 501500948 /nfs/dbraw/zinc/50/09/48/501500948.db2.gz LCRRBTPEDWUMJD-QGZVFWFLSA-N 1 1 367.449 3.497 20 5 FGBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000452714213 501550204 /nfs/dbraw/zinc/55/02/04/501550204.db2.gz KHOYYPJRXGZXNU-UHFFFAOYSA-N 1 1 368.437 3.083 20 5 FGBDMO Cn1cc(C[NH+]2CCC(c3nc4c(s3)CCCC4)CC2)c([N+](=O)[O-])n1 ZINC000602696342 506264024 /nfs/dbraw/zinc/26/40/24/506264024.db2.gz YQMZIJDZRJUDIN-UHFFFAOYSA-N 1 1 361.471 3.043 20 5 FGBDMO CC1=CC[N@@H+](CCNC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000454790057 501630244 /nfs/dbraw/zinc/63/02/44/501630244.db2.gz QRJVYUNEHFGZOV-SFHVURJKSA-N 1 1 372.469 3.136 20 5 FGBDMO C[C@@H]1CN(c2ccccc2C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])CCO1 ZINC000459543858 501673493 /nfs/dbraw/zinc/67/34/93/501673493.db2.gz MYUFHJHOHMOVJG-QGZVFWFLSA-N 1 1 369.465 3.494 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC4(CCC4)[C@H]4COC[C@@H]43)o2)c1 ZINC000459684241 501698705 /nfs/dbraw/zinc/69/87/05/501698705.db2.gz UMKNBFNYXGKJHA-IRXDYDNUSA-N 1 1 369.421 3.293 20 5 FGBDMO CC[C@@H](CO)[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000467175942 501728550 /nfs/dbraw/zinc/72/85/50/501728550.db2.gz LVHGGWIYHSYSSF-KRWDZBQOSA-N 1 1 371.437 3.115 20 5 FGBDMO CC[C@@H](CO)[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000467175942 501728557 /nfs/dbraw/zinc/72/85/57/501728557.db2.gz LVHGGWIYHSYSSF-KRWDZBQOSA-N 1 1 371.437 3.115 20 5 FGBDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000470938823 501861908 /nfs/dbraw/zinc/86/19/08/501861908.db2.gz ZTBBULCRNTXLMG-JQWIXIFHSA-N 1 1 373.331 3.166 20 5 FGBDMO C[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@H]1c1cccs1 ZINC000596145964 506278505 /nfs/dbraw/zinc/27/85/05/506278505.db2.gz JGBXCWFOQGNNHU-SJCJKPOMSA-N 1 1 374.466 3.250 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cc(F)cc(Cl)c3)C2)nc1 ZINC000485725531 501915495 /nfs/dbraw/zinc/91/54/95/501915495.db2.gz NDFJRVHFHYOVLS-AWEZNQCLSA-N 1 1 350.781 3.469 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cc(F)cc(Cl)c3)C2)nc1 ZINC000485725531 501915498 /nfs/dbraw/zinc/91/54/98/501915498.db2.gz NDFJRVHFHYOVLS-AWEZNQCLSA-N 1 1 350.781 3.469 20 5 FGBDMO CSc1cccc(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000485730189 501917594 /nfs/dbraw/zinc/91/75/94/501917594.db2.gz DOQARAIIYZBWOZ-QWHCGFSZSA-N 1 1 351.472 3.309 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000478306760 501937619 /nfs/dbraw/zinc/93/76/19/501937619.db2.gz OAXADBFSRVWQAC-LJQANCHMSA-N 1 1 353.422 3.235 20 5 FGBDMO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000485859640 501964373 /nfs/dbraw/zinc/96/43/73/501964373.db2.gz AKJWXVIARXNSRY-ZDUSSCGKSA-N 1 1 374.441 3.027 20 5 FGBDMO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000485859640 501964377 /nfs/dbraw/zinc/96/43/77/501964377.db2.gz AKJWXVIARXNSRY-ZDUSSCGKSA-N 1 1 374.441 3.027 20 5 FGBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000485945729 501995998 /nfs/dbraw/zinc/99/59/98/501995998.db2.gz PSKOMQJLHOPAQR-CYBMUJFWSA-N 1 1 363.483 3.309 20 5 FGBDMO Cc1c(CNC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000478631318 502038510 /nfs/dbraw/zinc/03/85/10/502038510.db2.gz KTGRSBNDRWDDOK-OAHLLOKOSA-N 1 1 370.453 3.223 20 5 FGBDMO C[C@@H](C(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000592882511 506291388 /nfs/dbraw/zinc/29/13/88/506291388.db2.gz VOGCDITXHSYIPI-ZTNFWEORSA-N 1 1 367.449 3.160 20 5 FGBDMO Cc1nc(NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)ccc1[N+](=O)[O-] ZINC000486183853 502075447 /nfs/dbraw/zinc/07/54/47/502075447.db2.gz CACJZJTUSFSUFQ-UHFFFAOYSA-N 1 1 374.307 3.069 20 5 FGBDMO CO[C@]1(C)C[C@H]([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000464819439 502105541 /nfs/dbraw/zinc/10/55/41/502105541.db2.gz BFRWCKAYVUCKKO-WMLDXEAASA-N 1 1 369.849 3.322 20 5 FGBDMO CO[C@]1(C)C[C@H]([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000464819439 502105544 /nfs/dbraw/zinc/10/55/44/502105544.db2.gz BFRWCKAYVUCKKO-WMLDXEAASA-N 1 1 369.849 3.322 20 5 FGBDMO Cc1cc(N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461890916 502225771 /nfs/dbraw/zinc/22/57/71/502225771.db2.gz OSWBNNKSSHWZOC-CHWSQXEVSA-N 1 1 373.375 3.221 20 5 FGBDMO O=C1[C@H]([N@H+]2CC[C@H](c3ccc(F)cc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000483102052 502271485 /nfs/dbraw/zinc/27/14/85/502271485.db2.gz WAPUDLCJJIGDCE-HNAYVOBHSA-N 1 1 369.396 3.329 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000465610678 502324524 /nfs/dbraw/zinc/32/45/24/502324524.db2.gz UKRTULPJADJRSY-INIZCTEOSA-N 1 1 362.474 3.091 20 5 FGBDMO CC[C@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](CC)CN1C(C)=O ZINC000472359707 502329250 /nfs/dbraw/zinc/32/92/50/502329250.db2.gz MNNWMSHPYZHEPH-IRXDYDNUSA-N 1 1 363.458 3.085 20 5 FGBDMO Cc1ccc([C@@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 ZINC000475922589 502333283 /nfs/dbraw/zinc/33/32/83/502333283.db2.gz TYVLXWYSAOBSNV-LJQANCHMSA-N 1 1 369.421 3.176 20 5 FGBDMO CC(C)[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(Br)cc1 ZINC000472447502 502354891 /nfs/dbraw/zinc/35/48/91/502354891.db2.gz DNYBLFKERGIQNJ-UHFFFAOYSA-N 1 1 367.247 3.464 20 5 FGBDMO CCC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@H](C)C(=O)Nc1ccccc1C ZINC000602821965 506313003 /nfs/dbraw/zinc/31/30/03/506313003.db2.gz PZCUQCCADONDMN-OAHLLOKOSA-N 1 1 373.457 3.147 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000462656255 502524353 /nfs/dbraw/zinc/52/43/53/502524353.db2.gz LDOSRWDBCODEQP-SCLBCKFNSA-N 1 1 372.400 3.376 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000462656253 502524394 /nfs/dbraw/zinc/52/43/94/502524394.db2.gz LDOSRWDBCODEQP-ACJLOTCBSA-N 1 1 372.400 3.376 20 5 FGBDMO C[C@H](C[N@@H+](C)CCn1ccc([N+](=O)[O-])n1)Oc1ccc(Cl)c(Cl)c1 ZINC000469745402 502530341 /nfs/dbraw/zinc/53/03/41/502530341.db2.gz MFWUXVWPUKFHLW-LLVKDONJSA-N 1 1 373.240 3.497 20 5 FGBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000462714560 502544892 /nfs/dbraw/zinc/54/48/92/502544892.db2.gz OAURTOLTPQSKMH-CQSZACIVSA-N 1 1 350.463 3.250 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000462757966 502559595 /nfs/dbraw/zinc/55/95/95/502559595.db2.gz CFYOJEGGSBYOPJ-SOLBZPMBSA-N 1 1 361.486 3.400 20 5 FGBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000462986385 502650280 /nfs/dbraw/zinc/65/02/80/502650280.db2.gz FQJOUFSRENNMEZ-IRXDYDNUSA-N 1 1 359.470 3.297 20 5 FGBDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2cccc([N+](=O)[O-])c2NC)CC1 ZINC000462996506 502654246 /nfs/dbraw/zinc/65/42/46/502654246.db2.gz NTHJPYSJNZROEB-UHFFFAOYSA-N 1 1 362.474 3.221 20 5 FGBDMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470151221 502680310 /nfs/dbraw/zinc/68/03/10/502680310.db2.gz KYMYSDNQUQCAMF-ZDUSSCGKSA-N 1 1 360.389 3.376 20 5 FGBDMO Cc1ccc([C@H]2CCC[N@H+]2C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000484632314 502689943 /nfs/dbraw/zinc/68/99/43/502689943.db2.gz YHEAKSFSMBMYBR-AZUAARDMSA-N 1 1 356.422 3.480 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000470170773 502692445 /nfs/dbraw/zinc/69/24/45/502692445.db2.gz AFJVQUACAJTAMJ-FXFXYLOPSA-N 1 1 357.454 3.333 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCOc3cccc(Cl)c3)C2)nc1 ZINC000470213626 502706644 /nfs/dbraw/zinc/70/66/44/502706644.db2.gz IYAVTUBJOFPKFU-CQSZACIVSA-N 1 1 362.817 3.208 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCOc3cccc(Cl)c3)C2)nc1 ZINC000470213625 502706914 /nfs/dbraw/zinc/70/69/14/502706914.db2.gz IYAVTUBJOFPKFU-AWEZNQCLSA-N 1 1 362.817 3.208 20 5 FGBDMO Cc1cc(C(F)(F)F)cc(N2CCN(c3ncccc3[N+](=O)[O-])CC2)[nH+]1 ZINC000596263657 506333204 /nfs/dbraw/zinc/33/32/04/506333204.db2.gz IJTZWLLQHSBXSG-UHFFFAOYSA-N 1 1 367.331 3.039 20 5 FGBDMO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000588771334 506333464 /nfs/dbraw/zinc/33/34/64/506333464.db2.gz YYPBQBPCSQJNJN-FTRWYGJKSA-N 1 1 367.449 3.478 20 5 FGBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@](CO)(Cc3ccccc3)C2)cc1 ZINC000463436323 502802959 /nfs/dbraw/zinc/80/29/59/502802959.db2.gz YHJHBSUFPPIVDJ-NRFANRHFSA-N 1 1 354.450 3.455 20 5 FGBDMO CC[N@H+]1CCCN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)C1 ZINC000596268892 506335772 /nfs/dbraw/zinc/33/57/72/506335772.db2.gz NACMMLQNARFRFY-HNNXBMFYSA-N 1 1 355.442 3.281 20 5 FGBDMO CC[N@@H+](C)[C@@H](C(=O)N(C)CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000512986115 502826895 /nfs/dbraw/zinc/82/68/95/502826895.db2.gz TUQRPSHSZPRCKL-LJQANCHMSA-N 1 1 355.438 3.289 20 5 FGBDMO O=C(c1cc(O)cc([N+](=O)[O-])c1)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000488894637 502833091 /nfs/dbraw/zinc/83/30/91/502833091.db2.gz IJIBFVHGSRHEQD-UHFFFAOYSA-N 1 1 361.442 3.171 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000509154059 502834670 /nfs/dbraw/zinc/83/46/70/502834670.db2.gz HQRDVIPBNVASOX-CYBMUJFWSA-N 1 1 351.472 3.263 20 5 FGBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000489015336 502861158 /nfs/dbraw/zinc/86/11/58/502861158.db2.gz BUCLFVITQUSHIJ-CQSZACIVSA-N 1 1 361.373 3.051 20 5 FGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000489015336 502861161 /nfs/dbraw/zinc/86/11/61/502861161.db2.gz BUCLFVITQUSHIJ-CQSZACIVSA-N 1 1 361.373 3.051 20 5 FGBDMO C[C@@H]1C[C@H](c2ccccc2)[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000513230841 502884957 /nfs/dbraw/zinc/88/49/57/502884957.db2.gz FDKJMFFOEMQLDY-DNVCBOLYSA-N 1 1 374.462 3.452 20 5 FGBDMO C[C@@H]1C[C@H](c2ccccc2)[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000513230841 502884962 /nfs/dbraw/zinc/88/49/62/502884962.db2.gz FDKJMFFOEMQLDY-DNVCBOLYSA-N 1 1 374.462 3.452 20 5 FGBDMO CCc1ccc([C@@H]2CN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)CC[NH2+]2)cc1 ZINC000505517413 502924025 /nfs/dbraw/zinc/92/40/25/502924025.db2.gz STGPOONITOBWIC-SFHVURJKSA-N 1 1 353.422 3.252 20 5 FGBDMO C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501128997 502945894 /nfs/dbraw/zinc/94/58/94/502945894.db2.gz TYFRUSABOWPZCV-KXBFYZLASA-N 1 1 369.421 3.385 20 5 FGBDMO C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501128997 502945895 /nfs/dbraw/zinc/94/58/95/502945895.db2.gz TYFRUSABOWPZCV-KXBFYZLASA-N 1 1 369.421 3.385 20 5 FGBDMO COCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)[C@H]1CCO[C@@H]1C ZINC000489463035 502964027 /nfs/dbraw/zinc/96/40/27/502964027.db2.gz HAHLWSFAPTYPMI-PBHICJAKSA-N 1 1 352.431 3.008 20 5 FGBDMO COCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)[C@H]1CCO[C@@H]1C ZINC000489463035 502964030 /nfs/dbraw/zinc/96/40/30/502964030.db2.gz HAHLWSFAPTYPMI-PBHICJAKSA-N 1 1 352.431 3.008 20 5 FGBDMO CC[N@H+]1C[C@H](C)N(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1C ZINC000497535061 502982036 /nfs/dbraw/zinc/98/20/36/502982036.db2.gz SZUDDBMKIPELTO-GJZGRUSLSA-N 1 1 355.442 3.279 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](c3ccncc3)C2)c1 ZINC000593029848 506345913 /nfs/dbraw/zinc/34/59/13/506345913.db2.gz UZCJKDBXLFRDQJ-MRXNPFEDSA-N 1 1 355.394 3.156 20 5 FGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505901615 503009666 /nfs/dbraw/zinc/00/96/66/503009666.db2.gz UKOJZYSXTBQBDP-CVEARBPZSA-N 1 1 369.421 3.323 20 5 FGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505901615 503009670 /nfs/dbraw/zinc/00/96/70/503009670.db2.gz UKOJZYSXTBQBDP-CVEARBPZSA-N 1 1 369.421 3.323 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCSC[C@@H]2C2CCC2)c1 ZINC000593036156 506350504 /nfs/dbraw/zinc/35/05/04/506350504.db2.gz OQWAFMBAVXCGQD-MRXNPFEDSA-N 1 1 350.440 3.099 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCSC[C@@H]2C2CCC2)c1 ZINC000593036156 506350510 /nfs/dbraw/zinc/35/05/10/506350510.db2.gz OQWAFMBAVXCGQD-MRXNPFEDSA-N 1 1 350.440 3.099 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000506353069 503099303 /nfs/dbraw/zinc/09/93/03/503099303.db2.gz LVOZWPKALFDCFU-ZDUSSCGKSA-N 1 1 364.446 3.235 20 5 FGBDMO Cc1ccc([C@@H]2C[C@@H](C)[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)cc1 ZINC000490090282 503107476 /nfs/dbraw/zinc/10/74/76/503107476.db2.gz LESNQGZUVYWCNN-RDTXWAMCSA-N 1 1 353.422 3.380 20 5 FGBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514213070 503113726 /nfs/dbraw/zinc/11/37/26/503113726.db2.gz HZDOSTPPVCGMRI-ZDUSSCGKSA-N 1 1 371.384 3.191 20 5 FGBDMO CCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000501947298 503114574 /nfs/dbraw/zinc/11/45/74/503114574.db2.gz NBGOWWYHDJFIRM-GOEBONIOSA-N 1 1 356.426 3.221 20 5 FGBDMO O=[N+]([O-])c1cnc(NC[C@H]2CC[N@@H+]2C2CCCC2)c(Br)c1 ZINC000599164030 506354239 /nfs/dbraw/zinc/35/42/39/506354239.db2.gz IAXCQSAOUVFOEW-LLVKDONJSA-N 1 1 355.236 3.181 20 5 FGBDMO O=[N+]([O-])c1cnc(NC[C@H]2CC[N@H+]2C2CCCC2)c(Br)c1 ZINC000599164030 506354243 /nfs/dbraw/zinc/35/42/43/506354243.db2.gz IAXCQSAOUVFOEW-LLVKDONJSA-N 1 1 355.236 3.181 20 5 FGBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CC=CCC1 ZINC000506769111 503168688 /nfs/dbraw/zinc/16/86/88/503168688.db2.gz ZKHJSQRTYFHEHR-UHFFFAOYSA-N 1 1 363.483 3.335 20 5 FGBDMO CCc1cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506962602 503202319 /nfs/dbraw/zinc/20/23/19/503202319.db2.gz WRQKVSCJQZWEKV-SJLPKXTDSA-N 1 1 367.453 3.075 20 5 FGBDMO C[C@@H]1Cc2ccccc2N1C(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511060690 503245064 /nfs/dbraw/zinc/24/50/64/503245064.db2.gz UVMCVJHLPXEKPX-OAHLLOKOSA-N 1 1 353.422 3.047 20 5 FGBDMO C[C@@H]1Cc2ccccc2N1C(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511060690 503245066 /nfs/dbraw/zinc/24/50/66/503245066.db2.gz UVMCVJHLPXEKPX-OAHLLOKOSA-N 1 1 353.422 3.047 20 5 FGBDMO Cc1ccccc1[C@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000507216776 503252584 /nfs/dbraw/zinc/25/25/84/503252584.db2.gz ZHZSMIACMDAJKO-KRWDZBQOSA-N 1 1 365.433 3.282 20 5 FGBDMO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511139244 503267154 /nfs/dbraw/zinc/26/71/54/503267154.db2.gz QADRQLHIDXFMAR-JKSUJKDBSA-N 1 1 367.449 3.435 20 5 FGBDMO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511139244 503267158 /nfs/dbraw/zinc/26/71/58/503267158.db2.gz QADRQLHIDXFMAR-JKSUJKDBSA-N 1 1 367.449 3.435 20 5 FGBDMO COC(=O)C1(c2ccccc2)CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000491145285 503280009 /nfs/dbraw/zinc/28/00/09/503280009.db2.gz MQMZVASBMVJHIZ-UHFFFAOYSA-N 1 1 372.396 3.441 20 5 FGBDMO CCC[N@H+](CC(=O)NC)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000511494155 503332059 /nfs/dbraw/zinc/33/20/59/503332059.db2.gz OCUKJFALOUESAD-UHFFFAOYSA-N 1 1 370.453 3.321 20 5 FGBDMO CCC[N@@H+](CC(=O)NC)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000511494155 503332062 /nfs/dbraw/zinc/33/20/62/503332062.db2.gz OCUKJFALOUESAD-UHFFFAOYSA-N 1 1 370.453 3.321 20 5 FGBDMO COc1ccc(CCC[N@@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000511721524 503375368 /nfs/dbraw/zinc/37/53/68/503375368.db2.gz GINLLEGOJMLKMA-HNNXBMFYSA-N 1 1 371.437 3.495 20 5 FGBDMO C[N@@H+](CCCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C1CCCCC1 ZINC000515776358 503399262 /nfs/dbraw/zinc/39/92/62/503399262.db2.gz BGQONQSJXCLIRX-UHFFFAOYSA-N 1 1 358.442 3.461 20 5 FGBDMO C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000499452300 503408149 /nfs/dbraw/zinc/40/81/49/503408149.db2.gz BVHVUHXDELBEQZ-CABCVRRESA-N 1 1 371.412 3.469 20 5 FGBDMO C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000499452300 503408151 /nfs/dbraw/zinc/40/81/51/503408151.db2.gz BVHVUHXDELBEQZ-CABCVRRESA-N 1 1 371.412 3.469 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000516103226 503446399 /nfs/dbraw/zinc/44/63/99/503446399.db2.gz COVJQNMDJOHVEJ-SJLPKXTDSA-N 1 1 373.497 3.496 20 5 FGBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000508339893 503478420 /nfs/dbraw/zinc/47/84/20/503478420.db2.gz ACJJSPTYPBYXTG-KBPBESRZSA-N 1 1 360.458 3.019 20 5 FGBDMO Cc1c(CC(=O)N2CC[NH2+]C[C@H]2c2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000516453812 503514357 /nfs/dbraw/zinc/51/43/57/503514357.db2.gz SDRNQOCBKBICIA-SFHVURJKSA-N 1 1 373.840 3.272 20 5 FGBDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000508615916 503529550 /nfs/dbraw/zinc/52/95/50/503529550.db2.gz AGPKXABMUKKJCW-INIZCTEOSA-N 1 1 369.421 3.358 20 5 FGBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)C1 ZINC000494373333 503532317 /nfs/dbraw/zinc/53/23/17/503532317.db2.gz XAAFWMODTRBJCS-OZVIIMIRSA-N 1 1 366.849 3.442 20 5 FGBDMO O=[N+]([O-])c1cccc2ncnc(N3CCC[N@@H+](Cc4ccccc4)CC3)c21 ZINC000509052542 503630900 /nfs/dbraw/zinc/63/09/00/503630900.db2.gz ROGYWGQUZGHNOY-UHFFFAOYSA-N 1 1 363.421 3.250 20 5 FGBDMO CCc1ccc([C@H]([NH2+]C[C@@H](O)C2CCOCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543423932 503764089 /nfs/dbraw/zinc/76/40/89/503764089.db2.gz IQUPLRQVEPKIMK-UYAOXDASSA-N 1 1 374.437 3.217 20 5 FGBDMO O=[N+]([O-])c1ccc(OCC[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)cc1 ZINC000527358948 503775863 /nfs/dbraw/zinc/77/58/63/503775863.db2.gz MNGWJCQNQWXFJG-KRWDZBQOSA-N 1 1 356.357 3.215 20 5 FGBDMO COc1ccc(C2([NH2+]Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC2)cc1 ZINC000537059143 503791474 /nfs/dbraw/zinc/79/14/74/503791474.db2.gz QXJCFJMDUVGQBH-UHFFFAOYSA-N 1 1 356.378 3.249 20 5 FGBDMO 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/nfs/dbraw/zinc/30/82/52/504308252.db2.gz DILVGYNNUYWEBR-QGZVFWFLSA-N 1 1 369.421 3.037 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@H]3C3CCOCC3)n2)cc1 ZINC000538628564 504308342 /nfs/dbraw/zinc/30/83/42/504308342.db2.gz QWFMXCDFQGVIOR-INIZCTEOSA-N 1 1 358.398 3.036 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@H]([C@H](C)O)C2)cc1OC ZINC000541958928 504316535 /nfs/dbraw/zinc/31/65/35/504316535.db2.gz WPQQZCKZLKLWTB-SOUVJXGZSA-N 1 1 366.458 3.231 20 5 FGBDMO C[C@@H](NC[C@]1(O)CC[N@H+](C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000545159133 504380129 /nfs/dbraw/zinc/38/01/29/504380129.db2.gz UZOITLWRWLYFBJ-FZKQIMNGSA-N 1 1 361.467 3.041 20 5 FGBDMO C[C@@H](NC[C@]1(O)CC[N@@H+](C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000545159133 504380130 /nfs/dbraw/zinc/38/01/30/504380130.db2.gz UZOITLWRWLYFBJ-FZKQIMNGSA-N 1 1 361.467 3.041 20 5 FGBDMO C[C@H](Cc1ccsc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000542165861 504388421 /nfs/dbraw/zinc/38/84/21/504388421.db2.gz 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FGBDMO CCc1ccc([C@@H]([NH2+]CCN2CCOC[C@@H]2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542475273 504505782 /nfs/dbraw/zinc/50/57/82/504505782.db2.gz VOQGOICBMCYYBI-YWZLYKJASA-N 1 1 373.453 3.150 20 5 FGBDMO Cc1c(Br)c(N[C@@H]2CC[N@H+](C3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000542507635 504518386 /nfs/dbraw/zinc/51/83/86/504518386.db2.gz SEKIQPIPCJWIEC-LLVKDONJSA-N 1 1 369.263 3.490 20 5 FGBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000545854858 504616371 /nfs/dbraw/zinc/61/63/71/504616371.db2.gz XRCZPEHYDBDWCM-CQSZACIVSA-N 1 1 365.449 3.344 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@@H]3CCc4ccccc4C3)C2)nc1 ZINC000542914860 504656182 /nfs/dbraw/zinc/65/61/82/504656182.db2.gz HXVOUBIAUSKSHX-CRAIPNDOSA-N 1 1 352.438 3.281 20 5 FGBDMO CC(=O)NCC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C1CCSCC1 ZINC000549078865 504676744 /nfs/dbraw/zinc/67/67/44/504676744.db2.gz MLBRQKLOCOZBSR-UHFFFAOYSA-N 1 1 371.890 3.082 20 5 FGBDMO CC(=O)NCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C1CCSCC1 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FGBDMO CCc1ccc(C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000560249695 505029312 /nfs/dbraw/zinc/02/93/12/505029312.db2.gz LRJHATQALWOBIA-LJQANCHMSA-N 1 1 367.449 3.156 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCOC[C@H]1CC1CCC1 ZINC000550502104 505055440 /nfs/dbraw/zinc/05/54/40/505055440.db2.gz BCUPFKKPVCWKPL-QGZVFWFLSA-N 1 1 361.442 3.123 20 5 FGBDMO CC(C)[N@H+]1CCC[C@H](CN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000560531459 505116239 /nfs/dbraw/zinc/11/62/39/505116239.db2.gz YXWHJDGBTWQBKQ-VQIMIIECSA-N 1 1 371.485 3.128 20 5 FGBDMO C[C@H](C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](C)CO)c1ccccc1 ZINC000554279012 505132394 /nfs/dbraw/zinc/13/23/94/505132394.db2.gz DWXQUYFXILPLNH-CVEARBPZSA-N 1 1 371.437 3.020 20 5 FGBDMO C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[N@H+]1C ZINC000551041540 505146284 /nfs/dbraw/zinc/14/62/84/505146284.db2.gz XLUXMTMTRHBJSN-QWRGUYRKSA-N 1 1 359.348 3.168 20 5 FGBDMO COCC(C)(C)CCC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000554372849 505158049 /nfs/dbraw/zinc/15/80/49/505158049.db2.gz ANRBZOGTIUEMDR-KRWDZBQOSA-N 1 1 360.458 3.460 20 5 FGBDMO Cn1ccnc1[C@@H]1CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000566414673 505168455 /nfs/dbraw/zinc/16/84/55/505168455.db2.gz QRXBBMROEMXHOA-GFCCVEGCSA-N 1 1 365.231 3.080 20 5 FGBDMO Cn1ccnc1[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000566414673 505168456 /nfs/dbraw/zinc/16/84/56/505168456.db2.gz QRXBBMROEMXHOA-GFCCVEGCSA-N 1 1 365.231 3.080 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cn3)C2)nc1 ZINC000551395203 505217151 /nfs/dbraw/zinc/21/71/51/505217151.db2.gz QNXFJLBYHYOGLV-ZDUSSCGKSA-N 1 1 367.331 3.090 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cn3)C2)nc1 ZINC000551395203 505217153 /nfs/dbraw/zinc/21/71/53/505217153.db2.gz QNXFJLBYHYOGLV-ZDUSSCGKSA-N 1 1 367.331 3.090 20 5 FGBDMO CC1(C)C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)Cc2ccccc2O1 ZINC000566685861 505243618 /nfs/dbraw/zinc/24/36/18/505243618.db2.gz MYXKFDXHOJNIBY-QGZVFWFLSA-N 1 1 372.421 3.008 20 5 FGBDMO COc1cc(CN2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000551708800 505288451 /nfs/dbraw/zinc/28/84/51/505288451.db2.gz MKLWSBFSWVNFNG-KRWDZBQOSA-N 1 1 373.428 3.101 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+]3CC[C@H](CO)C[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000554886117 505290631 /nfs/dbraw/zinc/29/06/31/505290631.db2.gz CRCRBMFGJPXUKM-KBPBESRZSA-N 1 1 360.410 3.456 20 5 FGBDMO C[N@H+]1CC[C@@H](Nc2ncnc3sc([N+](=O)[O-])cc32)[C@H]1c1ccccc1 ZINC000561258990 505295760 /nfs/dbraw/zinc/29/57/60/505295760.db2.gz LBAQXTSWJRJCNW-UKRRQHHQSA-N 1 1 355.423 3.457 20 5 FGBDMO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000561530416 505369445 /nfs/dbraw/zinc/36/94/45/505369445.db2.gz ZRZFVOGBHRVFRR-CYBMUJFWSA-N 1 1 371.384 3.143 20 5 FGBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1OCC ZINC000567315905 505425747 /nfs/dbraw/zinc/42/57/47/505425747.db2.gz 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Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000567789786 505563256 /nfs/dbraw/zinc/56/32/56/505563256.db2.gz DNBFBZXHARTGED-YJBOKZPZSA-N 1 1 361.442 3.123 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000567789785 505563405 /nfs/dbraw/zinc/56/34/05/505563405.db2.gz DNBFBZXHARTGED-QAPCUYQASA-N 1 1 361.442 3.123 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)c([N+](=O)[O-])cc1OC ZINC000564986270 505565422 /nfs/dbraw/zinc/56/54/22/505565422.db2.gz PPTCLGJXWUYPJB-ZFWWWQNUSA-N 1 1 350.415 3.003 20 5 FGBDMO O=[N+]([O-])c1cncc(Cl)c1NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000589111441 506445341 /nfs/dbraw/zinc/44/53/41/506445341.db2.gz KPOLPQNOCRPYAS-HNNXBMFYSA-N 1 1 360.845 3.042 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](C)C1(F)F ZINC000599514630 506482289 /nfs/dbraw/zinc/48/22/89/506482289.db2.gz YPRQMZFQICDDNW-PHIMTYICSA-N 1 1 352.341 3.368 20 5 FGBDMO 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ZINC000609854973 507024492 /nfs/dbraw/zinc/02/44/92/507024492.db2.gz ZPAFFHSNDMQYSP-ZDUSSCGKSA-N 1 1 373.840 3.425 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000597710888 507069738 /nfs/dbraw/zinc/06/97/38/507069738.db2.gz PTUCAZQVTYXZFX-XLIONFOSSA-N 1 1 359.470 3.108 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000610125910 507108137 /nfs/dbraw/zinc/10/81/37/507108137.db2.gz YMFGXFAYAXMGOH-QAPCUYQASA-N 1 1 362.474 3.118 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000597859954 507137386 /nfs/dbraw/zinc/13/73/86/507137386.db2.gz IWSYEJZLRPDAIV-NSHDSACASA-N 1 1 359.348 3.216 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000597921515 507176264 /nfs/dbraw/zinc/17/62/64/507176264.db2.gz GMGTVXPFEYKGHJ-JTQLQIEISA-N 1 1 359.348 3.216 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000597924910 507178847 /nfs/dbraw/zinc/17/88/47/507178847.db2.gz UXIDZQXENOQJFY-GFCCVEGCSA-N 1 1 351.422 3.001 20 5 FGBDMO COc1cc(C[N@@H+]2CCC[C@H](OC3CCC3)C2)c([N+](=O)[O-])cc1OC ZINC000594614530 507213289 /nfs/dbraw/zinc/21/32/89/507213289.db2.gz XLLJLAYDXBGCES-HNNXBMFYSA-N 1 1 350.415 3.146 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@H](OC3CCC3)C2)c([N+](=O)[O-])cc1OC ZINC000594614530 507213296 /nfs/dbraw/zinc/21/32/96/507213296.db2.gz XLLJLAYDXBGCES-HNNXBMFYSA-N 1 1 350.415 3.146 20 5 FGBDMO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000610446066 507244050 /nfs/dbraw/zinc/24/40/50/507244050.db2.gz OTEOKALSIXCKGU-CQSZACIVSA-N 1 1 359.451 3.393 20 5 FGBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000610446066 507244053 /nfs/dbraw/zinc/24/40/53/507244053.db2.gz OTEOKALSIXCKGU-CQSZACIVSA-N 1 1 359.451 3.393 20 5 FGBDMO O=[N+]([O-])c1cnccc1N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000610469406 507251256 /nfs/dbraw/zinc/25/12/56/507251256.db2.gz DNLIIEBJZWLFQD-FQEVSTJZSA-N 1 1 352.438 3.482 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)C2CC(OC(C)(C)C)C2)c1 ZINC000591505425 507274273 /nfs/dbraw/zinc/27/42/73/507274273.db2.gz XMASEJJYWATRDG-UHFFFAOYSA-N 1 1 350.415 3.159 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)C2CC(OC(C)(C)C)C2)c1 ZINC000591505425 507274278 /nfs/dbraw/zinc/27/42/78/507274278.db2.gz XMASEJJYWATRDG-UHFFFAOYSA-N 1 1 350.415 3.159 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[C@@H]([C@H](O)C(F)(F)F)C3)c2c1 ZINC000601154493 507280280 /nfs/dbraw/zinc/28/02/80/507280280.db2.gz MIELGXACXVYDAP-BMIGLBTASA-N 1 1 355.316 3.283 20 5 FGBDMO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000598218099 507323370 /nfs/dbraw/zinc/32/33/70/507323370.db2.gz FYYFKEXDITUMEV-GFCCVEGCSA-N 1 1 351.834 3.385 20 5 FGBDMO CSc1cccc(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000598220470 507324956 /nfs/dbraw/zinc/32/49/56/507324956.db2.gz PPFDVXOWMLVHOU-CYBMUJFWSA-N 1 1 363.483 3.454 20 5 FGBDMO CCc1ccc([C@H]([NH2+]CC[C@H](O)C(F)F)c2ccc([N+](=O)[O-])cc2)o1 ZINC000601298258 507326474 /nfs/dbraw/zinc/32/64/74/507326474.db2.gz FZLVFFJXSZDKAT-GOEBONIOSA-N 1 1 354.353 3.445 20 5 FGBDMO CCS(=O)(=O)C1(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000595105859 507395487 /nfs/dbraw/zinc/39/54/87/507395487.db2.gz TXKYKMYMEXHXLQ-GOSISDBHSA-N 1 1 374.462 3.241 20 5 FGBDMO O=C(NC1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000595289569 507449485 /nfs/dbraw/zinc/44/94/85/507449485.db2.gz UHUPMVNFLXTJSS-UHFFFAOYSA-N 1 1 357.385 3.128 20 5 FGBDMO Cc1noc(C[N@H+](C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)c1[N+](=O)[O-] ZINC000595308035 507456719 /nfs/dbraw/zinc/45/67/19/507456719.db2.gz ZTFKFSPARMRKBQ-UHFFFAOYSA-N 1 1 373.388 3.485 20 5 FGBDMO Cc1noc(C[N@@H+](C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)c1[N+](=O)[O-] ZINC000595308035 507456724 /nfs/dbraw/zinc/45/67/24/507456724.db2.gz ZTFKFSPARMRKBQ-UHFFFAOYSA-N 1 1 373.388 3.485 20 5 FGBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1)CC(F)(F)F ZINC000595348556 507468309 /nfs/dbraw/zinc/46/83/09/507468309.db2.gz SPQGQHJKWRDVCQ-LBPRGKRZSA-N 1 1 363.355 3.440 20 5 FGBDMO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3[N+](=O)[O-])CC2)nc1 ZINC000595360102 507471522 /nfs/dbraw/zinc/47/15/22/507471522.db2.gz YFIFBLRKMGXZSF-UHFFFAOYSA-N 1 1 372.400 3.288 20 5 FGBDMO Cc1ncc([N+](=O)[O-])c(OCc2ccc(C[NH+]3CCOCC3)cc2)c1C ZINC000584732977 507475304 /nfs/dbraw/zinc/47/53/04/507475304.db2.gz VERRCBGFUZQKHL-UHFFFAOYSA-N 1 1 357.410 3.018 20 5 FGBDMO Cc1ccc([C@@H](CN2CCOCC2)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000595409282 507484633 /nfs/dbraw/zinc/48/46/33/507484633.db2.gz DFBJHVJTIXNWKI-LJQANCHMSA-N 1 1 373.428 3.205 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000598559407 507486684 /nfs/dbraw/zinc/48/66/84/507486684.db2.gz HBIPHYJHVFBHCV-AWEZNQCLSA-N 1 1 365.861 3.408 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cncc(F)c1)[C@H]1CC[C@H](O)CC1 ZINC000592133599 507499338 /nfs/dbraw/zinc/49/93/38/507499338.db2.gz YRZGNEKNVGQAKH-IYARVYRRSA-N 1 1 359.401 3.435 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cncc(F)c1)[C@H]1CC[C@H](O)CC1 ZINC000592133599 507499347 /nfs/dbraw/zinc/49/93/47/507499347.db2.gz YRZGNEKNVGQAKH-IYARVYRRSA-N 1 1 359.401 3.435 20 5 FGBDMO O=C(NCc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000592155170 507512374 /nfs/dbraw/zinc/51/23/74/507512374.db2.gz LCFLXHZJPLGFON-MRXNPFEDSA-N 1 1 373.840 3.387 20 5 FGBDMO O=C(NCc1ccccc1)[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000592155170 507512378 /nfs/dbraw/zinc/51/23/78/507512378.db2.gz LCFLXHZJPLGFON-MRXNPFEDSA-N 1 1 373.840 3.387 20 5 FGBDMO Cc1noc(CN2C[C@H](C)[N@H+](Cc3ccccc3)[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000595557306 507559028 /nfs/dbraw/zinc/55/90/28/507559028.db2.gz GMQPRALFGCLBNH-CWRNSKLLSA-N 1 1 358.442 3.375 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[NH+]1CCC(OC3CCCC3)CC1)OCCO2 ZINC000611266922 507591427 /nfs/dbraw/zinc/59/14/27/507591427.db2.gz GPEJXFFQOFNGDD-UHFFFAOYSA-N 1 1 362.426 3.290 20 5 FGBDMO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000611268171 507591450 /nfs/dbraw/zinc/59/14/50/507591450.db2.gz BMPOYOJWXCRPNN-INIZCTEOSA-N 1 1 355.438 3.397 20 5 FGBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000611268171 507591458 /nfs/dbraw/zinc/59/14/58/507591458.db2.gz BMPOYOJWXCRPNN-INIZCTEOSA-N 1 1 355.438 3.397 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+](C[C@@H]1CCCO1)C1CCCC1)OCCO2 ZINC000611274144 507599093 /nfs/dbraw/zinc/59/90/93/507599093.db2.gz VXWKQOIQNAQUEO-INIZCTEOSA-N 1 1 362.426 3.290 20 5 FGBDMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611276256 507601238 /nfs/dbraw/zinc/60/12/38/507601238.db2.gz FPNPKRMUPQCHBG-UONOGXRCSA-N 1 1 352.456 3.472 20 5 FGBDMO CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1(C)C ZINC000611276668 507601749 /nfs/dbraw/zinc/60/17/49/507601749.db2.gz RIYKHQXEVLIGGA-SJLPKXTDSA-N 1 1 350.415 3.001 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000611303433 507613757 /nfs/dbraw/zinc/61/37/57/507613757.db2.gz NGDGIZCNMUGRST-KBPBESRZSA-N 1 1 361.442 3.443 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000611303433 507613767 /nfs/dbraw/zinc/61/37/67/507613767.db2.gz NGDGIZCNMUGRST-KBPBESRZSA-N 1 1 361.442 3.443 20 5 FGBDMO C[C@H]1CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])[C@H]1CCO ZINC000595687923 507628107 /nfs/dbraw/zinc/62/81/07/507628107.db2.gz FXGXMIIFTIAYTC-FZMZJTMJSA-N 1 1 357.248 3.340 20 5 FGBDMO C[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])[C@H]1CCO ZINC000595687923 507628109 /nfs/dbraw/zinc/62/81/09/507628109.db2.gz FXGXMIIFTIAYTC-FZMZJTMJSA-N 1 1 357.248 3.340 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000611350230 507635809 /nfs/dbraw/zinc/63/58/09/507635809.db2.gz FRVCTGHOYZOQRA-BZUAXINKSA-N 1 1 361.442 3.060 20 5 FGBDMO COC(=O)[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]12 ZINC000595740190 507657690 /nfs/dbraw/zinc/65/76/90/507657690.db2.gz VZPVGSWHVQLRJQ-WOSRLPQWSA-N 1 1 350.390 3.288 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]12 ZINC000595740190 507657696 /nfs/dbraw/zinc/65/76/96/507657696.db2.gz VZPVGSWHVQLRJQ-WOSRLPQWSA-N 1 1 350.390 3.288 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c1 ZINC000595789697 507687134 /nfs/dbraw/zinc/68/71/34/507687134.db2.gz SLSCMYNWBJQYCX-YJBOKZPZSA-N 1 1 362.426 3.163 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000595789666 507687321 /nfs/dbraw/zinc/68/73/21/507687321.db2.gz RWGJAYIBSWSWEJ-KSSFIOAISA-N 1 1 361.442 3.203 20 5 FGBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC3(COC3)C2)cc1OC ZINC000595834879 507706973 /nfs/dbraw/zinc/70/69/73/507706973.db2.gz PVHPZYJQQSQOKR-CQSZACIVSA-N 1 1 364.442 3.251 20 5 FGBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC3(COC3)C2)cc1OC ZINC000595834879 507706977 /nfs/dbraw/zinc/70/69/77/507706977.db2.gz PVHPZYJQQSQOKR-CQSZACIVSA-N 1 1 364.442 3.251 20 5 FGBDMO CCc1cc(N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611510262 507713552 /nfs/dbraw/zinc/71/35/52/507713552.db2.gz YLTBRMIOXICOOL-KSSFIOAISA-N 1 1 367.453 3.145 20 5 FGBDMO CCc1cc(N2CC[C@H]3CC[N@@H+](C)C[C@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611510263 507714614 /nfs/dbraw/zinc/71/46/14/507714614.db2.gz YLTBRMIOXICOOL-RDTXWAMCSA-N 1 1 367.453 3.145 20 5 FGBDMO COc1ccc(C[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])[C@@H](C)C2CC2)cc1 ZINC000611541027 507728375 /nfs/dbraw/zinc/72/83/75/507728375.db2.gz QAZRQHKUJFYFTP-AWEZNQCLSA-N 1 1 358.442 3.409 20 5 FGBDMO CCC1(O)CCC([NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000611560834 507739031 /nfs/dbraw/zinc/73/90/31/507739031.db2.gz LANBWGIDMWYXMS-RMXPPQQLSA-N 1 1 358.442 3.091 20 5 FGBDMO Cc1ccc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)c(N2CCCC2)[nH+]1 ZINC000611568312 507744033 /nfs/dbraw/zinc/74/40/33/507744033.db2.gz QSNRLAUWSUHEDA-UHFFFAOYSA-N 1 1 355.398 3.220 20 5 FGBDMO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000821613312 607176147 /nfs/dbraw/zinc/17/61/47/607176147.db2.gz HVJQKBOLVJRMBL-UHFFFAOYSA-N 1 1 358.789 3.060 20 5 FGBDMO O=[N+]([O-])c1cccc(C[N@@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C2CC2)c1 ZINC000823647093 607176838 /nfs/dbraw/zinc/17/68/38/607176838.db2.gz FHGYGFWRSNBBLV-UHFFFAOYSA-N 1 1 368.372 3.079 20 5 FGBDMO C[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(-c2nn[nH]n2)cc1 ZINC000824611956 608464960 /nfs/dbraw/zinc/46/49/60/608464960.db2.gz GJVHJNJTMLPYTI-JTQLQIEISA-N 1 1 358.789 3.279 20 5 FGBDMO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(-c2nn[nH]n2)cc1F ZINC000824531289 609345527 /nfs/dbraw/zinc/34/55/27/609345527.db2.gz OPVKWKYMFWCVNU-MNOVXSKESA-N 1 1 356.361 3.326 20 5 FGBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)COCc1cccs1 ZINC000120765630 700659784 /nfs/dbraw/zinc/65/97/84/700659784.db2.gz HGPYDGAOHCUXMZ-CQSZACIVSA-N 1 1 370.858 3.319 20 5 FGBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)COCc1cccs1 ZINC000120765630 700659787 /nfs/dbraw/zinc/65/97/87/700659787.db2.gz HGPYDGAOHCUXMZ-CQSZACIVSA-N 1 1 370.858 3.319 20 5 FGBDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000122440456 700689943 /nfs/dbraw/zinc/68/99/43/700689943.db2.gz LHVLZYNSVIQMSW-LZWOXQAQSA-N 1 1 367.877 3.322 20 5 FGBDMO O=C(C1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1)N1CCCCC1 ZINC000174834395 705522267 /nfs/dbraw/zinc/52/22/67/705522267.db2.gz ADMMHTJSERRKJT-UHFFFAOYSA-N 1 1 365.861 3.473 20 5 FGBDMO CSc1ccc(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000195625023 713559792 /nfs/dbraw/zinc/55/97/92/713559792.db2.gz KKNOWNKVCFIDSZ-OKILXGFUSA-N 1 1 365.499 3.415 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000253101841 713674112 /nfs/dbraw/zinc/67/41/12/713674112.db2.gz XNJLWGQXCWTOPY-KBPBESRZSA-N 1 1 354.248 3.074 20 5 FGBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000310993499 713801530 /nfs/dbraw/zinc/80/15/30/713801530.db2.gz IFFLFDLICSLATI-CYBMUJFWSA-N 1 1 361.829 3.499 20 5 FGBDMO C[C@@H]1CN(c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)[C@@H](C)C[N@H+]1C ZINC001164636419 719248623 /nfs/dbraw/zinc/24/86/23/719248623.db2.gz SRXUBVPNLRHTLG-NEPJUHHUSA-N 1 1 361.833 3.234 20 5 FGBDMO O=C([C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1)N1CCCC1 ZINC000735562049 722517425 /nfs/dbraw/zinc/51/74/25/722517425.db2.gz HXZMFRYDDQRUTD-ZDUSSCGKSA-N 1 1 351.834 3.083 20 5 FGBDMO O=C([C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1)N1CCCC1 ZINC000735562049 722517426 /nfs/dbraw/zinc/51/74/26/722517426.db2.gz HXZMFRYDDQRUTD-ZDUSSCGKSA-N 1 1 351.834 3.083 20 5 FGBDMO COC1CC[NH+](C(C)(C)CNCc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000740008068 722534686 /nfs/dbraw/zinc/53/46/86/722534686.db2.gz WLCRZGOGZDWAOP-UHFFFAOYSA-N 1 1 355.866 3.227 20 5 FGBDMO C[C@H](CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCCC[C@@H]1C ZINC000756922517 722971888 /nfs/dbraw/zinc/97/18/88/722971888.db2.gz RMRKGWMUMSOSHK-QWHCGFSZSA-N 1 1 368.865 3.310 20 5 FGBDMO O=[N+]([O-])c1ccc(Br)c2c1C[N@H+](CC1(O)CCCCC1)CC2 ZINC000792895807 723378351 /nfs/dbraw/zinc/37/83/51/723378351.db2.gz DNWSRYJRBIJNTR-UHFFFAOYSA-N 1 1 369.259 3.411 20 5 FGBDMO O=[N+]([O-])c1ccc(Br)c2c1C[N@@H+](CC1(O)CCCCC1)CC2 ZINC000792895807 723378354 /nfs/dbraw/zinc/37/83/54/723378354.db2.gz DNWSRYJRBIJNTR-UHFFFAOYSA-N 1 1 369.259 3.411 20 5 FGBDMO CCC[N@H+](CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O)C1CC1 ZINC000795423745 723590059 /nfs/dbraw/zinc/59/00/59/723590059.db2.gz FIDUIITVFQMHET-UHFFFAOYSA-N 1 1 368.231 3.145 20 5 FGBDMO CCC[N@@H+](CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O)C1CC1 ZINC000795423745 723590061 /nfs/dbraw/zinc/59/00/61/723590061.db2.gz FIDUIITVFQMHET-UHFFFAOYSA-N 1 1 368.231 3.145 20 5 FGBDMO Cn1cc[nH+]c1[C@@H]1CCCN(c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000767454097 723619911 /nfs/dbraw/zinc/61/99/11/723619911.db2.gz RKXJYZJVGGHCIO-LLVKDONJSA-N 1 1 365.231 3.475 20 5 FGBDMO CC[N@@H+]1CCCC[C@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1Br ZINC000772145826 723752315 /nfs/dbraw/zinc/75/23/15/723752315.db2.gz ZXOHZDVBXNYQKM-AWEZNQCLSA-N 1 1 371.231 3.275 20 5 FGBDMO CC[N@H+]1CCCC[C@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1Br ZINC000772145826 723752317 /nfs/dbraw/zinc/75/23/17/723752317.db2.gz ZXOHZDVBXNYQKM-AWEZNQCLSA-N 1 1 371.231 3.275 20 5 FGBDMO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H](c2nccs2)c2ccccc2)cc1 ZINC000776586175 724162217 /nfs/dbraw/zinc/16/22/17/724162217.db2.gz CSMXPWSWEHWJOA-IRXDYDNUSA-N 1 1 355.419 3.464 20 5 FGBDMO O=[N+]([O-])c1cc2cnn(C[N@H+]3CCC[C@H]3C3CCOCC3)c2c(Cl)c1 ZINC000776772895 724181378 /nfs/dbraw/zinc/18/13/78/724181378.db2.gz UCEWNNLMEVWGOS-INIZCTEOSA-N 1 1 364.833 3.446 20 5 FGBDMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000788476024 725066454 /nfs/dbraw/zinc/06/64/54/725066454.db2.gz MHLSASNOGOBTNA-DZGCQCFKSA-N 1 1 351.422 3.251 20 5 FGBDMO CC(C)(C)OC(=O)NCCC(N)=[NH+]OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000789645613 725140516 /nfs/dbraw/zinc/14/05/16/725140516.db2.gz RIFFGCMHGVEGIA-UHFFFAOYSA-N 1 1 372.809 3.161 20 5 FGBDMO COC(=O)c1cc([N+](=O)[O-])c(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1Cl ZINC000811812432 725381234 /nfs/dbraw/zinc/38/12/34/725381234.db2.gz RLESRJAMJHHMJG-NXEZZACHSA-N 1 1 353.806 3.072 20 5 FGBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000811963172 725386194 /nfs/dbraw/zinc/38/61/94/725386194.db2.gz HFCRADXOKNGSNJ-LLVKDONJSA-N 1 1 359.829 3.166 20 5 FGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccnc(Br)c1 ZINC000815112290 727039527 /nfs/dbraw/zinc/03/95/27/727039527.db2.gz NPZQVCARNYMYEW-UHFFFAOYSA-N 1 1 350.216 3.427 20 5 FGBDMO C[N@H+]1CCC[C@@]2(CCN(Cc3ccc(Br)c([N+](=O)[O-])c3)C2)C1 ZINC000815146313 727044745 /nfs/dbraw/zinc/04/47/45/727044745.db2.gz QCJCZQQSKTWJPI-MRXNPFEDSA-N 1 1 368.275 3.275 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000816883930 727202473 /nfs/dbraw/zinc/20/24/73/727202473.db2.gz NUSAIFLSHVXNCQ-BETUJISGSA-N 1 1 353.850 3.346 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)c1F ZINC000821986389 729137573 /nfs/dbraw/zinc/13/75/73/729137573.db2.gz RNNLPFPGOCEXAO-VXGBXAGGSA-N 1 1 355.385 3.174 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)c(F)c1 ZINC000825031032 729368336 /nfs/dbraw/zinc/36/83/36/729368336.db2.gz WSDFDBFIUPECLY-DYVFJYSZSA-N 1 1 350.390 3.242 20 5 FGBDMO C[C@@H]1CC2(C[N@@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])CCOCC2 ZINC000830617961 729576694 /nfs/dbraw/zinc/57/66/94/729576694.db2.gz WWMBRYKHTKRZDF-GFCCVEGCSA-N 1 1 367.833 3.078 20 5 FGBDMO C[C@@H]1CC2(C[N@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])CCOCC2 ZINC000830617961 729576698 /nfs/dbraw/zinc/57/66/98/729576698.db2.gz WWMBRYKHTKRZDF-GFCCVEGCSA-N 1 1 367.833 3.078 20 5 FGBDMO O=C(C[N@@H+]1CCC[C@]2(CCSC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000832505626 729717241 /nfs/dbraw/zinc/71/72/41/729717241.db2.gz MAWPHJSJLQUESD-INIZCTEOSA-N 1 1 369.874 3.406 20 5 FGBDMO O=C(C[N@H+]1CCC[C@]2(CCSC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000832505626 729717242 /nfs/dbraw/zinc/71/72/42/729717242.db2.gz MAWPHJSJLQUESD-INIZCTEOSA-N 1 1 369.874 3.406 20 5 FGBDMO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)NCCc1ccccc1 ZINC000835074851 729856631 /nfs/dbraw/zinc/85/66/31/729856631.db2.gz ZTCRGLQMPOBNSF-CYBMUJFWSA-N 1 1 361.829 3.085 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)cc1Cl ZINC000836785082 729969916 /nfs/dbraw/zinc/96/99/16/729969916.db2.gz LYSOKSOIRWBSQK-ZDUSSCGKSA-N 1 1 351.834 3.303 20 5 FGBDMO Cn1c(Cl)ncc1C[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000883288179 737547452 /nfs/dbraw/zinc/54/74/52/737547452.db2.gz UVJQXWLZLBFETB-UHFFFAOYSA-N 1 1 359.611 3.034 20 5 FGBDMO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000847182314 731029762 /nfs/dbraw/zinc/02/97/62/731029762.db2.gz XHCISOSXCCYCPO-WCQYABFASA-N 1 1 352.822 3.387 20 5 FGBDMO CO[C@@H]1CC[C@H]([N@@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 ZINC000852023132 731534267 /nfs/dbraw/zinc/53/42/67/731534267.db2.gz WKNZKHKVESZDCQ-WDEREUQCSA-N 1 1 355.232 3.283 20 5 FGBDMO CO[C@@H]1CC[C@H]([N@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 ZINC000852023132 731534269 /nfs/dbraw/zinc/53/42/69/731534269.db2.gz WKNZKHKVESZDCQ-WDEREUQCSA-N 1 1 355.232 3.283 20 5 FGBDMO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000856479085 732032035 /nfs/dbraw/zinc/03/20/35/732032035.db2.gz IHQTXVAOBCGAMI-ZDUSSCGKSA-N 1 1 351.834 3.100 20 5 FGBDMO O=[N+]([O-])c1c(Br)cccc1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000856728313 732047497 /nfs/dbraw/zinc/04/74/97/732047497.db2.gz QZPFERQPQZZZBZ-SNVBAGLBSA-N 1 1 351.204 3.464 20 5 FGBDMO C[N@H+]1CCCC[C@@H](CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000862793824 732876744 /nfs/dbraw/zinc/87/67/44/732876744.db2.gz TWUUDDRIXQFLGO-JTQLQIEISA-N 1 1 360.241 3.363 20 5 FGBDMO C[C@]([NH3+])(C(=O)N1CCc2sc(Cl)cc2C1)c1cccc([N+](=O)[O-])c1 ZINC000867981063 733542174 /nfs/dbraw/zinc/54/21/74/733542174.db2.gz GHEINRXGPBJJAW-MRXNPFEDSA-N 1 1 365.842 3.069 20 5 FGBDMO Cn1cc(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2cccs2)c([N+](=O)[O-])n1 ZINC000876803727 736146817 /nfs/dbraw/zinc/14/68/17/736146817.db2.gz KCBSJOLZOXNYQC-CABCVRRESA-N 1 1 364.471 3.258 20 5 FGBDMO C[C@@]1(C(F)(F)F)CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000880002255 737096340 /nfs/dbraw/zinc/09/63/40/737096340.db2.gz IMNHTGZQQQZWMH-CQSZACIVSA-N 1 1 363.311 3.337 20 5 FGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1Br ZINC000886819559 739305976 /nfs/dbraw/zinc/30/59/76/739305976.db2.gz UGRQCSUKNUQWOQ-RISCZKNCSA-N 1 1 355.232 3.358 20 5 FGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1Br ZINC000886819558 739306372 /nfs/dbraw/zinc/30/63/72/739306372.db2.gz UGRQCSUKNUQWOQ-FZMZJTMJSA-N 1 1 355.232 3.358 20 5 FGBDMO CC(C)c1[nH+]ccn1CCNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000906671807 744152981 /nfs/dbraw/zinc/15/29/81/744152981.db2.gz YCWCUOWYSZOUQS-UHFFFAOYSA-N 1 1 364.833 3.317 20 5 FGBDMO O=[N+]([O-])c1ccc(Br)c(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000929992239 760506766 /nfs/dbraw/zinc/50/67/66/760506766.db2.gz OMBSZMBPXFMBBE-NSHDSACASA-N 1 1 365.231 3.460 20 5 FGBDMO O=[N+]([O-])c1ccc(Br)c(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000929992239 760506773 /nfs/dbraw/zinc/50/67/73/760506773.db2.gz OMBSZMBPXFMBBE-NSHDSACASA-N 1 1 365.231 3.460 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2SC)C[C@H]1C ZINC000933370096 761373593 /nfs/dbraw/zinc/37/35/93/761373593.db2.gz NOCVDQNHXIEBRJ-OLZOCXBDSA-N 1 1 351.472 3.262 20 5 FGBDMO Cc1noc(C[C@@H]2CCC[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)n1 ZINC000933572270 761431105 /nfs/dbraw/zinc/43/11/05/761431105.db2.gz NCBHNKIXRJAVSW-LBPRGKRZSA-N 1 1 350.806 3.394 20 5 FGBDMO Cc1noc(C[C@@H]2CCC[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)n1 ZINC000933572270 761431110 /nfs/dbraw/zinc/43/11/10/761431110.db2.gz NCBHNKIXRJAVSW-LBPRGKRZSA-N 1 1 350.806 3.394 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CCCSC[C@H]2C2CC2)o1 ZINC000933912436 761493675 /nfs/dbraw/zinc/49/36/75/761493675.db2.gz KREFPIZVZHKRHE-HNNXBMFYSA-N 1 1 360.439 3.362 20 5 FGBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000934950849 761756840 /nfs/dbraw/zinc/75/68/40/761756840.db2.gz MQLMYYOAPMMRJW-CJNGLKHVSA-N 1 1 365.861 3.124 20 5 FGBDMO O=C(C[N@@H+]1CCC[C@H]1c1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000021417299 257333718 /nfs/dbraw/zinc/33/37/18/257333718.db2.gz FZWZFSUIZPKWPC-HNNXBMFYSA-N 1 1 369.377 3.099 20 5 FGBDMO O=C(C[N@H+]1CCC[C@H]1c1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000021417299 257333719 /nfs/dbraw/zinc/33/37/19/257333719.db2.gz FZWZFSUIZPKWPC-HNNXBMFYSA-N 1 1 369.377 3.099 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000579626332 505589474 /nfs/dbraw/zinc/58/94/74/505589474.db2.gz SGAHUSYQRHGRHY-HNNXBMFYSA-N 1 1 374.485 3.175 20 5 FGBDMO O=C(C[N@H+]1CCC[C@@H]1c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000028173631 493777975 /nfs/dbraw/zinc/77/79/75/493777975.db2.gz MXMGRSLVTAJMEP-GOSISDBHSA-N 1 1 351.406 3.321 20 5 FGBDMO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H](CCO)c1ccccc1 ZINC000075899212 493792768 /nfs/dbraw/zinc/79/27/68/493792768.db2.gz SYCPLXYIBICZMB-QGZVFWFLSA-N 1 1 368.393 3.200 20 5 FGBDMO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H](CCO)c1ccccc1 ZINC000075899212 493792769 /nfs/dbraw/zinc/79/27/69/493792769.db2.gz SYCPLXYIBICZMB-QGZVFWFLSA-N 1 1 368.393 3.200 20 5 FGBDMO CC(C)[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000029174213 493823060 /nfs/dbraw/zinc/82/30/60/493823060.db2.gz QRMDUPUBEMPIJX-HXUWFJFHSA-N 1 1 367.449 3.408 20 5 FGBDMO COc1ccc([C@@H]2CCC[N@H+]2C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000058422019 493851914 /nfs/dbraw/zinc/85/19/14/493851914.db2.gz JBNJDFVYSPSZSR-PXNSSMCTSA-N 1 1 372.421 3.180 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)CCCOc1ccccc1 ZINC000029852174 493862282 /nfs/dbraw/zinc/86/22/82/493862282.db2.gz FNSOFCXKTOXIDZ-UHFFFAOYSA-N 1 1 357.410 3.243 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)CCCOc1ccccc1 ZINC000029852174 493862287 /nfs/dbraw/zinc/86/22/87/493862287.db2.gz FNSOFCXKTOXIDZ-UHFFFAOYSA-N 1 1 357.410 3.243 20 5 FGBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000081293242 493862389 /nfs/dbraw/zinc/86/23/89/493862389.db2.gz YIBDMBHKTMVNBT-HNNXBMFYSA-N 1 1 365.861 3.171 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000076388062 493881238 /nfs/dbraw/zinc/88/12/38/493881238.db2.gz RPQYPBCPTJSFSN-KRWDZBQOSA-N 1 1 367.449 3.260 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000076494056 493905611 /nfs/dbraw/zinc/90/56/11/493905611.db2.gz KLHUYFSCCNUSQH-MRXNPFEDSA-N 1 1 353.422 3.250 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000076494056 493905616 /nfs/dbraw/zinc/90/56/16/493905616.db2.gz KLHUYFSCCNUSQH-MRXNPFEDSA-N 1 1 353.422 3.250 20 5 FGBDMO CCOC[C@H]1CC[N@@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000081521953 493910313 /nfs/dbraw/zinc/91/03/13/493910313.db2.gz YADHZEKGPAQBLM-NSHDSACASA-N 1 1 360.357 3.063 20 5 FGBDMO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]2CN2CCCCC2)cccc1[N+](=O)[O-] ZINC000069078681 493917227 /nfs/dbraw/zinc/91/72/27/493917227.db2.gz SEBMSYXSBGOQLW-KRWDZBQOSA-N 1 1 374.485 3.182 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@H]2CN2CCCCC2)cccc1[N+](=O)[O-] ZINC000069078681 493917231 /nfs/dbraw/zinc/91/72/31/493917231.db2.gz SEBMSYXSBGOQLW-KRWDZBQOSA-N 1 1 374.485 3.182 20 5 FGBDMO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000031337932 493939603 /nfs/dbraw/zinc/93/96/03/493939603.db2.gz IQCJYXVVDDVZLW-UHFFFAOYSA-N 1 1 359.813 3.036 20 5 FGBDMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000031337932 493939607 /nfs/dbraw/zinc/93/96/07/493939607.db2.gz IQCJYXVVDDVZLW-UHFFFAOYSA-N 1 1 359.813 3.036 20 5 FGBDMO O=[N+]([O-])c1ccc2oc(CN3CC[NH+](Cc4ccccc4)CC3)nc2c1 ZINC000083127000 493999239 /nfs/dbraw/zinc/99/92/39/493999239.db2.gz RUIAJMNGJIJSJT-UHFFFAOYSA-N 1 1 352.394 3.054 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083214050 494007758 /nfs/dbraw/zinc/00/77/58/494007758.db2.gz RPMOSEIDOUXNER-QGZVFWFLSA-N 1 1 366.421 3.442 20 5 FGBDMO C[C@@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[N@H+]1CCCC[C@H]1C ZINC000032731770 494009305 /nfs/dbraw/zinc/00/93/05/494009305.db2.gz IWMXBRFQSRHUOA-CVEARBPZSA-N 1 1 374.485 3.188 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1c1cccn1C ZINC000063482876 494059246 /nfs/dbraw/zinc/05/92/46/494059246.db2.gz LRGLFGYKAZNDSM-SFHVURJKSA-N 1 1 356.426 3.407 20 5 FGBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCCc2ccccc2)c([N+](=O)[O-])c1 ZINC000052802691 494063097 /nfs/dbraw/zinc/06/30/97/494063097.db2.gz ZBAIUGVIQDXWDL-OAHLLOKOSA-N 1 1 371.437 3.495 20 5 FGBDMO COC(=O)CC[N@H+](Cc1ccccc1)Cc1cc([N+](=O)[O-])ccc1OC ZINC000065236950 494182599 /nfs/dbraw/zinc/18/25/99/494182599.db2.gz XHFIXOJJSAQOIC-UHFFFAOYSA-N 1 1 358.394 3.169 20 5 FGBDMO COC(=O)CC[N@@H+](Cc1ccccc1)Cc1cc([N+](=O)[O-])ccc1OC ZINC000065236950 494182602 /nfs/dbraw/zinc/18/26/02/494182602.db2.gz XHFIXOJJSAQOIC-UHFFFAOYSA-N 1 1 358.394 3.169 20 5 FGBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000054226007 494209194 /nfs/dbraw/zinc/20/91/94/494209194.db2.gz KEFDCSAJMPUJNO-QAPCUYQASA-N 1 1 353.422 3.089 20 5 FGBDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1ccc([N+](=O)[O-])s1 ZINC000072673020 494229970 /nfs/dbraw/zinc/22/99/70/494229970.db2.gz GNYPIKWPNSHVNN-ZFWWWQNUSA-N 1 1 357.435 3.413 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+](C)[C@H](CCO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000072772687 494248710 /nfs/dbraw/zinc/24/87/10/494248710.db2.gz HNKYJKCIEIJEJP-LJQANCHMSA-N 1 1 371.437 3.287 20 5 FGBDMO CCS[C@@H]1CC[C@H]([N@@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000072838238 494262015 /nfs/dbraw/zinc/26/20/15/494262015.db2.gz UEISUBFZQFQVLI-UONOGXRCSA-N 1 1 351.472 3.448 20 5 FGBDMO Cc1c(NC(=O)CC[N@@H+]2CCOC[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000072895231 494276585 /nfs/dbraw/zinc/27/65/85/494276585.db2.gz NESDWQTZCLYNBZ-LJQANCHMSA-N 1 1 369.421 3.305 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CCOC[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000072895231 494276586 /nfs/dbraw/zinc/27/65/86/494276586.db2.gz NESDWQTZCLYNBZ-LJQANCHMSA-N 1 1 369.421 3.305 20 5 FGBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000066139982 494278163 /nfs/dbraw/zinc/27/81/63/494278163.db2.gz CGJZBDRAUOFBBY-GFCCVEGCSA-N 1 1 362.455 3.178 20 5 FGBDMO Cc1c(NC(=O)NCC[N@H+]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000043347035 494290358 /nfs/dbraw/zinc/29/03/58/494290358.db2.gz JDLOBSSWXGWUNM-UHFFFAOYSA-N 1 1 354.410 3.083 20 5 FGBDMO CC(C)NC(=O)c1ccc(N(C)CC[C@H]2CCCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000078455784 494298736 /nfs/dbraw/zinc/29/87/36/494298736.db2.gz XPJPJUNQCDMYOC-MRXNPFEDSA-N 1 1 362.474 3.044 20 5 FGBDMO COCC[N@@H+](C)CC[C@@H](Nc1ncc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000078659629 494339138 /nfs/dbraw/zinc/33/91/38/494339138.db2.gz VFCQFXRMFBXGNY-QGZVFWFLSA-N 1 1 358.442 3.420 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000073900312 494445215 /nfs/dbraw/zinc/44/52/15/494445215.db2.gz WMRDRHFQNLNSEF-LJQANCHMSA-N 1 1 368.437 3.011 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000067038834 494460656 /nfs/dbraw/zinc/46/06/56/494460656.db2.gz WLOUNRPISOXLSE-UHFFFAOYSA-N 1 1 353.422 3.081 20 5 FGBDMO CN(C(=O)C[N@@H+]1CCSC2(CCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000079504597 494468147 /nfs/dbraw/zinc/46/81/47/494468147.db2.gz SJBMIBUQJZTHRF-UHFFFAOYSA-N 1 1 363.483 3.309 20 5 FGBDMO CN(C(=O)C[N@H+]1CCSC2(CCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000079504597 494468149 /nfs/dbraw/zinc/46/81/49/494468149.db2.gz SJBMIBUQJZTHRF-UHFFFAOYSA-N 1 1 363.483 3.309 20 5 FGBDMO CC[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000090688094 494493656 /nfs/dbraw/zinc/49/36/56/494493656.db2.gz LFKIHGRVZZHZPF-WBAXXEDZSA-N 1 1 362.474 3.418 20 5 FGBDMO Cc1ccc([C@H](C)NCc2ccnc(OCC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000090936934 494505090 /nfs/dbraw/zinc/50/50/90/494505090.db2.gz PGVYCYBLCXNULD-HNNXBMFYSA-N 1 1 358.442 3.089 20 5 FGBDMO CC1CCN(C(=O)C2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)CC1 ZINC000056495055 494516260 /nfs/dbraw/zinc/51/62/60/494516260.db2.gz JCXOZTWPLSKLKL-UHFFFAOYSA-N 1 1 351.472 3.127 20 5 FGBDMO Cc1c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cccc1[N+](=O)[O-] ZINC000574233600 505726294 /nfs/dbraw/zinc/72/62/94/505726294.db2.gz ZWHOIUSCGBNUOR-YJBOKZPZSA-N 1 1 353.422 3.296 20 5 FGBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000056889209 494585420 /nfs/dbraw/zinc/58/54/20/494585420.db2.gz MMYIOHZCUQDLMA-HNNXBMFYSA-N 1 1 362.474 3.418 20 5 FGBDMO C[N@@H+](CCNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000080098850 494593832 /nfs/dbraw/zinc/59/38/32/494593832.db2.gz ISDRBRNDCDDODX-UHFFFAOYSA-N 1 1 370.453 3.261 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 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MYRXAYHQGTUKKL-WBVHZDCISA-N 1 1 353.422 3.235 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000091857929 494706699 /nfs/dbraw/zinc/70/66/99/494706699.db2.gz FCPIEQUZXMHUFX-UHFFFAOYSA-N 1 1 359.813 3.199 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000091857929 494706703 /nfs/dbraw/zinc/70/67/03/494706703.db2.gz FCPIEQUZXMHUFX-UHFFFAOYSA-N 1 1 359.813 3.199 20 5 FGBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000080462652 494711116 /nfs/dbraw/zinc/71/11/16/494711116.db2.gz OMNCXGSBYPTTDC-ZDUSSCGKSA-N 1 1 351.834 3.052 20 5 FGBDMO Cc1cc([C@H]2CCC[N@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)on1 ZINC000067965851 494712655 /nfs/dbraw/zinc/71/26/55/494712655.db2.gz DWHVCYBMUPFARI-MRXNPFEDSA-N 1 1 358.398 3.365 20 5 FGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000091893060 494716382 /nfs/dbraw/zinc/71/63/82/494716382.db2.gz HFYRXZDQXGFMRR-HIFRSBDPSA-N 1 1 355.385 3.255 20 5 FGBDMO COCc1cc([N+](=O)[O-])ccc1NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000080532991 494730612 /nfs/dbraw/zinc/73/06/12/494730612.db2.gz QOBAOKAKDWAVMU-LJQANCHMSA-N 1 1 371.437 3.054 20 5 FGBDMO COCc1cc([N+](=O)[O-])ccc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000080532991 494730625 /nfs/dbraw/zinc/73/06/25/494730625.db2.gz QOBAOKAKDWAVMU-LJQANCHMSA-N 1 1 371.437 3.054 20 5 FGBDMO COc1ccc([C@H](CO)[N@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000116280848 494751184 /nfs/dbraw/zinc/75/11/84/494751184.db2.gz PCACBYMVDZTHHU-KRWDZBQOSA-N 1 1 350.802 3.422 20 5 FGBDMO COc1ccc([C@H](CO)[N@@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000116280848 494751191 /nfs/dbraw/zinc/75/11/91/494751191.db2.gz PCACBYMVDZTHHU-KRWDZBQOSA-N 1 1 350.802 3.422 20 5 FGBDMO Cc1cccc(C(=O)N2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000025952610 494792520 /nfs/dbraw/zinc/79/25/20/494792520.db2.gz QPMMBPIEPPCRKQ-UHFFFAOYSA-N 1 1 353.422 3.251 20 5 FGBDMO Cc1cccc(C(=O)N2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000025952610 494792526 /nfs/dbraw/zinc/79/25/26/494792526.db2.gz QPMMBPIEPPCRKQ-UHFFFAOYSA-N 1 1 353.422 3.251 20 5 FGBDMO COc1ccc(NC(=O)CC[N@@H+](C)Cc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000026224396 494811599 /nfs/dbraw/zinc/81/15/99/494811599.db2.gz MJMXNZXHHGJKQV-UHFFFAOYSA-N 1 1 357.410 3.372 20 5 FGBDMO Cc1cccc(N2CCC(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)[nH+]1 ZINC000116667685 494835075 /nfs/dbraw/zinc/83/50/75/494835075.db2.gz SUFUZBPKDDJYKC-UHFFFAOYSA-N 1 1 374.828 3.350 20 5 FGBDMO COc1ccc(F)cc1[C@H](C)[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000109147030 494838113 /nfs/dbraw/zinc/83/81/13/494838113.db2.gz LXFAWYGXXWEIGN-SJCJKPOMSA-N 1 1 373.384 3.199 20 5 FGBDMO COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000093284168 494860258 /nfs/dbraw/zinc/86/02/58/494860258.db2.gz NLCQZAWCCDOEMQ-LBPRGKRZSA-N 1 1 361.398 3.147 20 5 FGBDMO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000093284168 494860261 /nfs/dbraw/zinc/86/02/61/494860261.db2.gz NLCQZAWCCDOEMQ-LBPRGKRZSA-N 1 1 361.398 3.147 20 5 FGBDMO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000132362865 494862614 /nfs/dbraw/zinc/86/26/14/494862614.db2.gz JMTJMONYVWULJQ-UHFFFAOYSA-N 1 1 357.385 3.082 20 5 FGBDMO CC[N@@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Cc1ccccn1 ZINC000093338640 494873707 /nfs/dbraw/zinc/87/37/07/494873707.db2.gz YQJCHXVQDIEUHU-UHFFFAOYSA-N 1 1 351.410 3.412 20 5 FGBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1[N+](=O)[O-] ZINC000109563082 494891135 /nfs/dbraw/zinc/89/11/35/494891135.db2.gz HTSRPCKFLGQVIJ-AWEZNQCLSA-N 1 1 359.451 3.298 20 5 FGBDMO CCCN1CCC([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000109788113 494917874 /nfs/dbraw/zinc/91/78/74/494917874.db2.gz KNQQJVWAILUAEN-UHFFFAOYSA-N 1 1 362.474 3.038 20 5 FGBDMO CCCN1CCC([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000109788113 494917878 /nfs/dbraw/zinc/91/78/78/494917878.db2.gz KNQQJVWAILUAEN-UHFFFAOYSA-N 1 1 362.474 3.038 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCSc3ccc(F)cc3)C2)nc1 ZINC000122266978 494949479 /nfs/dbraw/zinc/94/94/79/494949479.db2.gz PUAQWSSIMTYGKV-CQSZACIVSA-N 1 1 362.430 3.407 20 5 FGBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000133018512 494956779 /nfs/dbraw/zinc/95/67/79/494956779.db2.gz JBRMZYYVCVGLEB-UONOGXRCSA-N 1 1 371.359 3.312 20 5 FGBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000122543245 494991892 /nfs/dbraw/zinc/99/18/92/494991892.db2.gz RAAWLUOKGZQVBI-ZDUSSCGKSA-N 1 1 358.442 3.463 20 5 FGBDMO C[C@H](CNC(=O)CSc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000110965957 495026376 /nfs/dbraw/zinc/02/63/76/495026376.db2.gz FYXYZANCAJHJEY-OAHLLOKOSA-N 1 1 373.478 3.324 20 5 FGBDMO Cc1ccc([C@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000101527362 495071766 /nfs/dbraw/zinc/07/17/66/495071766.db2.gz UKFNJWOGRWMUQF-INIZCTEOSA-N 1 1 361.373 3.202 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000134208489 495121715 /nfs/dbraw/zinc/12/17/15/495121715.db2.gz QWPQNHUKYOTHIU-KUHUBIRLSA-N 1 1 369.421 3.166 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000134208489 495121722 /nfs/dbraw/zinc/12/17/22/495121722.db2.gz QWPQNHUKYOTHIU-KUHUBIRLSA-N 1 1 369.421 3.166 20 5 FGBDMO CCS[C@H]1CCCC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000112089414 495143338 /nfs/dbraw/zinc/14/33/38/495143338.db2.gz ALDPOMTXIXAOHG-AWEZNQCLSA-N 1 1 351.472 3.449 20 5 FGBDMO CCS[C@H]1CCCC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000112089414 495143340 /nfs/dbraw/zinc/14/33/40/495143340.db2.gz ALDPOMTXIXAOHG-AWEZNQCLSA-N 1 1 351.472 3.449 20 5 FGBDMO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1c1ncccc1[N+](=O)[O-] ZINC000119419510 495163699 /nfs/dbraw/zinc/16/36/99/495163699.db2.gz ZMMQRXRJJCHOKA-DNVCBOLYSA-N 1 1 369.469 3.430 20 5 FGBDMO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1c1ncccc1[N+](=O)[O-] ZINC000119419510 495163704 /nfs/dbraw/zinc/16/37/04/495163704.db2.gz ZMMQRXRJJCHOKA-DNVCBOLYSA-N 1 1 369.469 3.430 20 5 FGBDMO COc1ccc(NC(=O)CC[N@H+]2CCCC[C@@H](SC)C2)c([N+](=O)[O-])c1 ZINC000134577807 495170842 /nfs/dbraw/zinc/17/08/42/495170842.db2.gz WZLQGNRQENMKOM-CQSZACIVSA-N 1 1 367.471 3.150 20 5 FGBDMO CCc1ccc(-c2nc([C@@H]3C[N@H+]4CCC[C@]4(C)CO3)no2)cc1[N+](=O)[O-] ZINC000568736552 505765798 /nfs/dbraw/zinc/76/57/98/505765798.db2.gz SHIPAHNQUPZDBV-MAUKXSAKSA-N 1 1 358.398 3.133 20 5 FGBDMO C[C@H](NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000119538789 495186254 /nfs/dbraw/zinc/18/62/54/495186254.db2.gz VURPKVRZPJCUGY-RYUDHWBXSA-N 1 1 367.396 3.256 20 5 FGBDMO COc1ccc([C@@H](CCO)[NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000119648590 495209100 /nfs/dbraw/zinc/20/91/00/495209100.db2.gz YZMPWKLYRJWNDV-MRXNPFEDSA-N 1 1 350.802 3.470 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000134880521 495214700 /nfs/dbraw/zinc/21/47/00/495214700.db2.gz PWFYVVNXCWTZJI-RDJZCZTQSA-N 1 1 353.422 3.296 20 5 FGBDMO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000112700179 495225295 /nfs/dbraw/zinc/22/52/95/495225295.db2.gz FFHOOCHISNLLBE-ZDUSSCGKSA-N 1 1 351.422 3.108 20 5 FGBDMO CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000112700179 495225300 /nfs/dbraw/zinc/22/53/00/495225300.db2.gz FFHOOCHISNLLBE-ZDUSSCGKSA-N 1 1 351.422 3.108 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000124359385 495275926 /nfs/dbraw/zinc/27/59/26/495275926.db2.gz PZMVHZHHQHOORB-AWEZNQCLSA-N 1 1 367.877 3.275 20 5 FGBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000120401440 495369447 /nfs/dbraw/zinc/36/94/47/495369447.db2.gz KTJRHGUHHJWYTQ-AWEZNQCLSA-N 1 1 358.442 3.318 20 5 FGBDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000114459801 495376589 /nfs/dbraw/zinc/37/65/89/495376589.db2.gz LGHZZTBLFCEMCK-DLBZAZTESA-N 1 1 359.426 3.418 20 5 FGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000114468992 495379798 /nfs/dbraw/zinc/37/97/98/495379798.db2.gz YXSZDSOUGVWHHS-SFHVURJKSA-N 1 1 356.422 3.346 20 5 FGBDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000125229184 495410266 /nfs/dbraw/zinc/41/02/66/495410266.db2.gz XRRWOVATOLUISN-MRXNPFEDSA-N 1 1 368.437 3.011 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000125229184 495410269 /nfs/dbraw/zinc/41/02/69/495410269.db2.gz XRRWOVATOLUISN-MRXNPFEDSA-N 1 1 368.437 3.011 20 5 FGBDMO C[C@@H]1CCC[N@H+]1C1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000125436641 495444225 /nfs/dbraw/zinc/44/42/25/495444225.db2.gz HNICLXAZEPXVMN-MRXNPFEDSA-N 1 1 374.485 3.262 20 5 FGBDMO COC(=O)[C@H](C)Oc1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000179316585 495540565 /nfs/dbraw/zinc/54/05/65/495540565.db2.gz CFGNWZVSIZOIHK-AWEZNQCLSA-N 1 1 358.394 3.167 20 5 FGBDMO COC(=O)[C@H](C)Oc1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000179316585 495540568 /nfs/dbraw/zinc/54/05/68/495540568.db2.gz CFGNWZVSIZOIHK-AWEZNQCLSA-N 1 1 358.394 3.167 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000150754317 495623278 /nfs/dbraw/zinc/62/32/78/495623278.db2.gz XCMHBIKYZDLSLN-KSSFIOAISA-N 1 1 371.412 3.374 20 5 FGBDMO CC1CCN(C(=O)C2CC[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC2)CC1 ZINC000170908201 495649421 /nfs/dbraw/zinc/64/94/21/495649421.db2.gz UCGMJORUPTZXIW-UHFFFAOYSA-N 1 1 363.433 3.204 20 5 FGBDMO NC(=O)c1ccc(C[N@H+]2CC[C@@H](CSc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000173750440 495676128 /nfs/dbraw/zinc/67/61/28/495676128.db2.gz RCLQATOFZPAQQS-CQSZACIVSA-N 1 1 371.462 3.308 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000173752228 495677348 /nfs/dbraw/zinc/67/73/48/495677348.db2.gz CMNZQNPDFRATIZ-AEFFLSMTSA-N 1 1 359.470 3.250 20 5 FGBDMO C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185685073 495678591 /nfs/dbraw/zinc/67/85/91/495678591.db2.gz CROKWUZOBIFRJB-OWCLPIDISA-N 1 1 374.485 3.164 20 5 FGBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000150940545 495688338 /nfs/dbraw/zinc/68/83/38/495688338.db2.gz IAOYTKTZCBUPRC-LBPRGKRZSA-N 1 1 354.838 3.348 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000182766441 495695666 /nfs/dbraw/zinc/69/56/66/495695666.db2.gz NGQQSLLSQUICMG-GJZGRUSLSA-N 1 1 355.442 3.382 20 5 FGBDMO C[C@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182857933 495729955 /nfs/dbraw/zinc/72/99/55/495729955.db2.gz OSPQYIXYJBCGOO-JKSUJKDBSA-N 1 1 374.485 3.389 20 5 FGBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000154901899 495766725 /nfs/dbraw/zinc/76/67/25/495766725.db2.gz UBTSTHIPBFIOHV-CQSZACIVSA-N 1 1 356.426 3.137 20 5 FGBDMO C[C@@H](Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000183007160 495795016 /nfs/dbraw/zinc/79/50/16/495795016.db2.gz ITLHOLFHXHCONB-AUUYWEPGSA-N 1 1 368.437 3.218 20 5 FGBDMO CCOC(=O)C[C@@H](C)[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000183185305 495871394 /nfs/dbraw/zinc/87/13/94/495871394.db2.gz HBQBNBIBQFKSOE-GFCCVEGCSA-N 1 1 363.439 3.492 20 5 FGBDMO CCOC(=O)C[C@@H](C)[N@@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000183185305 495871401 /nfs/dbraw/zinc/87/14/01/495871401.db2.gz HBQBNBIBQFKSOE-GFCCVEGCSA-N 1 1 363.439 3.492 20 5 FGBDMO CCCN(CCC)C(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174241428 495878344 /nfs/dbraw/zinc/87/83/44/495878344.db2.gz OVTAYFRHJUGIHM-UHFFFAOYSA-N 1 1 363.458 3.087 20 5 FGBDMO COc1ccc([C@H]2CC[N@@H+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000155253589 495893046 /nfs/dbraw/zinc/89/30/46/495893046.db2.gz JOLMCHNWCADAME-INIZCTEOSA-N 1 1 369.421 3.056 20 5 FGBDMO COc1ccc([C@H]2CC[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000155337233 495925567 /nfs/dbraw/zinc/92/55/67/495925567.db2.gz OHAVMJKULBWGTB-HNNXBMFYSA-N 1 1 355.394 3.031 20 5 FGBDMO COc1ccc([C@H]2CC[N@@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000155337233 495925572 /nfs/dbraw/zinc/92/55/72/495925572.db2.gz OHAVMJKULBWGTB-HNNXBMFYSA-N 1 1 355.394 3.031 20 5 FGBDMO C[C@@H]1C[C@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C[N@H+]1C1CC1 ZINC000177144648 495946381 /nfs/dbraw/zinc/94/63/81/495946381.db2.gz ANDMWCBKLMTJOT-YPMHNXCESA-N 1 1 372.450 3.073 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)CC23CCCCC3)c1 ZINC000174459117 495968033 /nfs/dbraw/zinc/96/80/33/495968033.db2.gz WBVRGCQVYMQXGJ-UHFFFAOYSA-N 1 1 363.483 3.407 20 5 FGBDMO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000186381052 495975395 /nfs/dbraw/zinc/97/53/95/495975395.db2.gz APJZLKVXYJKPJY-CVEARBPZSA-N 1 1 360.414 3.328 20 5 FGBDMO COCC[N@@H+]1CCC[C@@H]1CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180417414 495988179 /nfs/dbraw/zinc/98/81/79/495988179.db2.gz OCWDQURQZFJXKL-RTWAWAEBSA-N 1 1 369.465 3.385 20 5 FGBDMO COCC[N@H+]1CCC[C@@H]1CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180417414 495988186 /nfs/dbraw/zinc/98/81/86/495988186.db2.gz OCWDQURQZFJXKL-RTWAWAEBSA-N 1 1 369.465 3.385 20 5 FGBDMO CC[NH+]1CCN(C[C@@H](C)CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000160781744 496040991 /nfs/dbraw/zinc/04/09/91/496040991.db2.gz HCBNDAAVEQXBOQ-ZDUSSCGKSA-N 1 1 374.407 3.299 20 5 FGBDMO Cc1csc2nc(C[N@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)cc(=O)n12 ZINC000155717512 496044686 /nfs/dbraw/zinc/04/46/86/496044686.db2.gz BOJTWSIMVMYODY-UHFFFAOYSA-N 1 1 370.434 3.137 20 5 FGBDMO Cc1csc2nc(C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)cc(=O)n12 ZINC000155717512 496044688 /nfs/dbraw/zinc/04/46/88/496044688.db2.gz BOJTWSIMVMYODY-UHFFFAOYSA-N 1 1 370.434 3.137 20 5 FGBDMO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](c2cccc(Cl)c2)c2ccccn2)c1 ZINC000152360029 496126374 /nfs/dbraw/zinc/12/63/74/496126374.db2.gz PZGUYUQXVVCNMX-KRWDZBQOSA-N 1 1 357.801 3.219 20 5 FGBDMO O=C(CC1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000172019218 496131794 /nfs/dbraw/zinc/13/17/94/496131794.db2.gz MTWCDLKAPHWGLT-UHFFFAOYSA-N 1 1 365.861 3.473 20 5 FGBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)c1 ZINC000174862287 496137514 /nfs/dbraw/zinc/13/75/14/496137514.db2.gz HCZXPFZUJFNDLK-INIZCTEOSA-N 1 1 366.425 3.061 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000571844005 505826363 /nfs/dbraw/zinc/82/63/63/505826363.db2.gz WNSGPDCENIFHPE-FUHWJXTLSA-N 1 1 361.442 3.121 20 5 FGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000172180776 496198381 /nfs/dbraw/zinc/19/83/81/496198381.db2.gz PGYQARIFGIBGBO-GFCCVEGCSA-N 1 1 361.833 3.166 20 5 FGBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000172180776 496198386 /nfs/dbraw/zinc/19/83/86/496198386.db2.gz PGYQARIFGIBGBO-GFCCVEGCSA-N 1 1 361.833 3.166 20 5 FGBDMO CCOc1cccc(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000184148680 496259087 /nfs/dbraw/zinc/25/90/87/496259087.db2.gz HVERIMKAXSHUTO-KRWDZBQOSA-N 1 1 371.437 3.172 20 5 FGBDMO COc1cc(C[N@@H+]2CCCN(c3ccccc3)CC2)c([N+](=O)[O-])cc1F ZINC000184249922 496304309 /nfs/dbraw/zinc/30/43/09/496304309.db2.gz AKOQSXLMRJHKDV-UHFFFAOYSA-N 1 1 359.401 3.455 20 5 FGBDMO COc1cc(C[N@H+]2CCCN(c3ccccc3)CC2)c([N+](=O)[O-])cc1F ZINC000184249922 496304311 /nfs/dbraw/zinc/30/43/11/496304311.db2.gz AKOQSXLMRJHKDV-UHFFFAOYSA-N 1 1 359.401 3.455 20 5 FGBDMO C[C@@H]1C[C@H](N(C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@H+]1C ZINC000175306351 496331825 /nfs/dbraw/zinc/33/18/25/496331825.db2.gz NZGMJJQSDBGPJJ-GHMZBOCLSA-N 1 1 372.372 3.143 20 5 FGBDMO C[C@@H](CCNC(=O)NCc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000175394464 496371280 /nfs/dbraw/zinc/37/12/80/496371280.db2.gz SXDDDQAOHHNDSZ-INIZCTEOSA-N 1 1 370.453 3.305 20 5 FGBDMO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000175407468 496377381 /nfs/dbraw/zinc/37/73/81/496377381.db2.gz PDCDICYVOUMRRI-PWECECGKSA-N 1 1 362.451 3.404 20 5 FGBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000172685655 496386508 /nfs/dbraw/zinc/38/65/08/496386508.db2.gz RWDVIEAPIUEYPZ-IBGZPJMESA-N 1 1 353.422 3.266 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000172842879 496458428 /nfs/dbraw/zinc/45/84/28/496458428.db2.gz LZLOFHMISQOWME-ZDUSSCGKSA-N 1 1 351.472 3.263 20 5 FGBDMO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+](C)CC1CC1 ZINC000178595838 496510133 /nfs/dbraw/zinc/51/01/33/496510133.db2.gz HWBFHTKOUBARRE-LLVKDONJSA-N 1 1 360.439 3.387 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000157727122 496539170 /nfs/dbraw/zinc/53/91/70/496539170.db2.gz NALYIRJZRNGCIK-XJKSGUPXSA-N 1 1 363.483 3.263 20 5 FGBDMO Cc1ccc(N2CCC(NC(=O)c3cccc([N+](=O)[O-])c3C)CC2)[nH+]c1 ZINC000157744911 496544487 /nfs/dbraw/zinc/54/44/87/496544487.db2.gz PMMSRWJOHSROSH-UHFFFAOYSA-N 1 1 354.410 3.005 20 5 FGBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000164064998 496583894 /nfs/dbraw/zinc/58/38/94/496583894.db2.gz IVCXZTNRVLSRIJ-RISCZKNCSA-N 1 1 371.359 3.170 20 5 FGBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000164064871 496583998 /nfs/dbraw/zinc/58/39/98/496583998.db2.gz IVCXZTNRVLSRIJ-BXUZGUMPSA-N 1 1 371.359 3.170 20 5 FGBDMO C[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cccc(F)c1F ZINC000181960918 496613853 /nfs/dbraw/zinc/61/38/53/496613853.db2.gz DEEGMLSOYGNTQM-LLVKDONJSA-N 1 1 361.348 3.113 20 5 FGBDMO CCC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[N@@H+]1Cc1ccccc1 ZINC000182059703 496653298 /nfs/dbraw/zinc/65/32/98/496653298.db2.gz DZWXCMPVGNUWFB-INIZCTEOSA-N 1 1 357.410 3.315 20 5 FGBDMO CCC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[N@H+]1Cc1ccccc1 ZINC000182059703 496653302 /nfs/dbraw/zinc/65/33/02/496653302.db2.gz DZWXCMPVGNUWFB-INIZCTEOSA-N 1 1 357.410 3.315 20 5 FGBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000571976136 505860319 /nfs/dbraw/zinc/86/03/19/505860319.db2.gz FSPIYMBKMPYXMJ-MRXNPFEDSA-N 1 1 363.461 3.236 20 5 FGBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185242943 496715302 /nfs/dbraw/zinc/71/53/02/496715302.db2.gz KARWMLRYWOMBQD-UONOGXRCSA-N 1 1 351.422 3.218 20 5 FGBDMO CSc1cccc(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000188206153 496716430 /nfs/dbraw/zinc/71/64/30/496716430.db2.gz BZXRQIQOKRCLIZ-CYBMUJFWSA-N 1 1 351.472 3.024 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000185302495 496726634 /nfs/dbraw/zinc/72/66/34/496726634.db2.gz DROXRQFAFOIHJP-FQEVSTJZSA-N 1 1 367.449 3.164 20 5 FGBDMO O=c1[nH]cnc2cc(NC[C@@H]3CCC[N@H+]3C3CCCCC3)c([N+](=O)[O-])cc21 ZINC000574830508 505863440 /nfs/dbraw/zinc/86/34/40/505863440.db2.gz SGAYOSYRBFYINJ-AWEZNQCLSA-N 1 1 371.441 3.453 20 5 FGBDMO CSc1ccc(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000194912433 496757905 /nfs/dbraw/zinc/75/79/05/496757905.db2.gz UBUDDILSPPITHW-CYBMUJFWSA-N 1 1 351.472 3.167 20 5 FGBDMO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)n1 ZINC000191544756 496806235 /nfs/dbraw/zinc/80/62/35/496806235.db2.gz QYVXBWFKXOHPTB-AWEZNQCLSA-N 1 1 371.441 3.295 20 5 FGBDMO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000247323725 496835652 /nfs/dbraw/zinc/83/56/52/496835652.db2.gz MQQVPMCGZABGDN-UHFFFAOYSA-N 1 1 371.412 3.011 20 5 FGBDMO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000247323725 496835654 /nfs/dbraw/zinc/83/56/54/496835654.db2.gz MQQVPMCGZABGDN-UHFFFAOYSA-N 1 1 371.412 3.011 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000268984234 496842427 /nfs/dbraw/zinc/84/24/27/496842427.db2.gz LCSVBLUNPGJLMB-WMZOPIPTSA-N 1 1 368.437 3.050 20 5 FGBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000269013550 496848743 /nfs/dbraw/zinc/84/87/43/496848743.db2.gz NKJXNQGQVRSZKM-SMDDNHRTSA-N 1 1 371.359 3.170 20 5 FGBDMO C[C@H](c1ccccc1Cl)[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000247481852 496868757 /nfs/dbraw/zinc/86/87/57/496868757.db2.gz KDFUUJHGSDESNB-DOMZBBRYSA-N 1 1 364.833 3.031 20 5 FGBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000247517354 496879343 /nfs/dbraw/zinc/87/93/43/496879343.db2.gz WEIWKOAFSASIJE-GUYCJALGSA-N 1 1 359.451 3.469 20 5 FGBDMO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3nc(C(C)(C)C)[nH]c3c2)n1 ZINC000191761866 496881307 /nfs/dbraw/zinc/88/13/07/496881307.db2.gz CKUOGHHMPQHAEK-UHFFFAOYSA-N 1 1 356.386 3.237 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@@H](N4CCCCC4)C3)o2)c1 ZINC000264599286 496939809 /nfs/dbraw/zinc/93/98/09/496939809.db2.gz NDCSNRJGKTTWPI-GOSISDBHSA-N 1 1 370.453 3.353 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@@H](N4CCCCC4)C3)o2)c1 ZINC000264599286 496939817 /nfs/dbraw/zinc/93/98/17/496939817.db2.gz NDCSNRJGKTTWPI-GOSISDBHSA-N 1 1 370.453 3.353 20 5 FGBDMO Cc1cc(NC(=O)N2CC[NH+](CCc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000195661518 496958785 /nfs/dbraw/zinc/95/87/85/496958785.db2.gz AKBPBNUTSWZSQM-UHFFFAOYSA-N 1 1 368.437 3.295 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000248393743 496992922 /nfs/dbraw/zinc/99/29/22/496992922.db2.gz MDQNYVYDVRPTOR-ZHALLVOQSA-N 1 1 359.470 3.106 20 5 FGBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000248538450 497033368 /nfs/dbraw/zinc/03/33/68/497033368.db2.gz AKCQRNRKXCMAMC-RDBSUJKOSA-N 1 1 351.422 3.074 20 5 FGBDMO C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000248582772 497047432 /nfs/dbraw/zinc/04/74/32/497047432.db2.gz PDUXMWFNJRGOHX-AGRHKRQWSA-N 1 1 371.412 3.399 20 5 FGBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000278416356 497106311 /nfs/dbraw/zinc/10/63/11/497106311.db2.gz SQEMDOFOEREXPW-UHFFFAOYSA-N 1 1 369.421 3.301 20 5 FGBDMO NC(=O)c1coc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000189400314 497106787 /nfs/dbraw/zinc/10/67/87/497106787.db2.gz XSSBDJGMCWEIQY-UHFFFAOYSA-N 1 1 357.391 3.305 20 5 FGBDMO Cc1nn(C(C)(C)C)c(C)c1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278825422 497233625 /nfs/dbraw/zinc/23/36/25/497233625.db2.gz ZYGJXHMQOOYJLO-UHFFFAOYSA-N 1 1 356.430 3.329 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]Cc2nnc3n2CCC3)s1 ZINC000237963827 497320077 /nfs/dbraw/zinc/32/00/77/497320077.db2.gz LDKNCAGLCVTJSJ-UHFFFAOYSA-N 1 1 355.423 3.151 20 5 FGBDMO COC(=O)[C@H](C)[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CCC1 ZINC000190087600 497352663 /nfs/dbraw/zinc/35/26/63/497352663.db2.gz FONHRVGZEMIZQD-ZDUSSCGKSA-N 1 1 373.409 3.208 20 5 FGBDMO COC(=O)[C@H](C)[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CCC1 ZINC000190087600 497352669 /nfs/dbraw/zinc/35/26/69/497352669.db2.gz FONHRVGZEMIZQD-ZDUSSCGKSA-N 1 1 373.409 3.208 20 5 FGBDMO CSc1ccc(C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000255958503 497381588 /nfs/dbraw/zinc/38/15/88/497381588.db2.gz ZIOBOEFCZFCKMB-STQMWFEESA-N 1 1 351.472 3.167 20 5 FGBDMO C[C@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H](C2CC2)O1 ZINC000279424274 497435931 /nfs/dbraw/zinc/43/59/31/497435931.db2.gz XGCGWEZJMYKGLX-UGSOOPFHSA-N 1 1 357.410 3.292 20 5 FGBDMO C[C@H](NC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000271750178 497438424 /nfs/dbraw/zinc/43/84/24/497438424.db2.gz SFDGLOYCXZVMIQ-HNNXBMFYSA-N 1 1 360.458 3.316 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000245526143 497440665 /nfs/dbraw/zinc/44/06/65/497440665.db2.gz OUZBJPOZVGGQHN-DOXZYTNZSA-N 1 1 357.454 3.440 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)cccc1[N+](=O)[O-] ZINC000245567351 497459903 /nfs/dbraw/zinc/45/99/03/497459903.db2.gz FLEOTAPVTISJJW-YEWWUXTCSA-N 1 1 371.441 3.010 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)cccc1[N+](=O)[O-] ZINC000245567351 497459905 /nfs/dbraw/zinc/45/99/05/497459905.db2.gz FLEOTAPVTISJJW-YEWWUXTCSA-N 1 1 371.441 3.010 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000245898211 497564596 /nfs/dbraw/zinc/56/45/96/497564596.db2.gz PPMGRQRHXRHJOT-HOTGVXAUSA-N 1 1 352.456 3.090 20 5 FGBDMO O=C(c1ccccc1F)N1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000194140052 497585543 /nfs/dbraw/zinc/58/55/43/497585543.db2.gz XJCURFKFFNLHQI-UHFFFAOYSA-N 1 1 371.412 3.125 20 5 FGBDMO COc1cc(C[N@@H+](C)CCCCO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000276683384 497627725 /nfs/dbraw/zinc/62/77/25/497627725.db2.gz QWGUFSUULWJZDI-UHFFFAOYSA-N 1 1 374.437 3.387 20 5 FGBDMO COCC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccco1 ZINC000272450430 497632099 /nfs/dbraw/zinc/63/20/99/497632099.db2.gz MKRJGIXUWLFGIF-HIFRSBDPSA-N 1 1 361.398 3.191 20 5 FGBDMO CCOCCC[N@H+]1CC[C@H](Nc2ncc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246254065 497676016 /nfs/dbraw/zinc/67/60/16/497676016.db2.gz JMHNOVILQNVMIW-JSGCOSHPSA-N 1 1 356.854 3.192 20 5 FGBDMO CC[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000246415286 497726526 /nfs/dbraw/zinc/72/65/26/497726526.db2.gz LFKIHGRVZZHZPF-FHLIZLRMSA-N 1 1 362.474 3.418 20 5 FGBDMO Cc1nc(C[NH+]2CCC(CNc3ccc([N+](=O)[O-])c(C)n3)CC2)oc1C ZINC000268524898 497773220 /nfs/dbraw/zinc/77/32/20/497773220.db2.gz VSPNEOOLZRSIRJ-UHFFFAOYSA-N 1 1 359.430 3.227 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000246613433 497789043 /nfs/dbraw/zinc/78/90/43/497789043.db2.gz CMNZQNPDFRATIZ-SJLPKXTDSA-N 1 1 359.470 3.250 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000246729517 497805290 /nfs/dbraw/zinc/80/52/90/497805290.db2.gz MBDRFMGYEJVJKI-RDTXWAMCSA-N 1 1 353.422 3.319 20 5 FGBDMO Cc1[nH+]ccn1CCCCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000295981793 497878666 /nfs/dbraw/zinc/87/86/66/497878666.db2.gz WJTWILDBBNEJTM-UHFFFAOYSA-N 1 1 370.331 3.329 20 5 FGBDMO Cc1c(-c2cc(C[NH2+]C(C)(C)c3ccccc3[N+](=O)[O-])on2)cnn1C ZINC000292133187 497892393 /nfs/dbraw/zinc/89/23/93/497892393.db2.gz LKMZGWUGWRERSN-UHFFFAOYSA-N 1 1 355.398 3.317 20 5 FGBDMO O=c1[nH]c(NC[C@@H](c2ccco2)[NH+]2CCCC2)nc2ccc([N+](=O)[O-])cc12 ZINC000281009145 497985657 /nfs/dbraw/zinc/98/56/57/497985657.db2.gz QRYGVLFJTVWUOB-HNNXBMFYSA-N 1 1 369.381 3.086 20 5 FGBDMO CSC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000292415248 498007103 /nfs/dbraw/zinc/00/71/03/498007103.db2.gz MJDJOSVBYQCCQB-ZIAGYGMSSA-N 1 1 351.472 3.305 20 5 FGBDMO Cc1ncc([N+](=O)[O-])cc1-c1nc([C@H]2C[N@@H+](C3CCCCC3)CCO2)no1 ZINC000349840418 498016661 /nfs/dbraw/zinc/01/66/61/498016661.db2.gz PECJDFQHCQQFEE-MRXNPFEDSA-N 1 1 373.413 3.054 20 5 FGBDMO Cc1ncc([N+](=O)[O-])cc1-c1nc([C@H]2C[N@H+](C3CCCCC3)CCO2)no1 ZINC000349840418 498016669 /nfs/dbraw/zinc/01/66/69/498016669.db2.gz PECJDFQHCQQFEE-MRXNPFEDSA-N 1 1 373.413 3.054 20 5 FGBDMO Cc1ccnc(NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c1[N+](=O)[O-] ZINC000301258316 498025056 /nfs/dbraw/zinc/02/50/56/498025056.db2.gz DWEOHLJVOLOBHP-OAHLLOKOSA-N 1 1 356.426 3.131 20 5 FGBDMO Cc1ccnc(NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c1[N+](=O)[O-] ZINC000301258316 498025064 /nfs/dbraw/zinc/02/50/64/498025064.db2.gz DWEOHLJVOLOBHP-OAHLLOKOSA-N 1 1 356.426 3.131 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1ncc([N+](=O)[O-])cc1Cl ZINC000301285539 498037882 /nfs/dbraw/zinc/03/78/82/498037882.db2.gz QMLDIBJZGPCWNY-WBMJQRKESA-N 1 1 361.833 3.361 20 5 FGBDMO C[C@@H](CCc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000296593457 498111909 /nfs/dbraw/zinc/11/19/09/498111909.db2.gz VBVMBNRBLLIQCZ-XYJFISCASA-N 1 1 367.449 3.197 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1c(F)cncc1F ZINC000285537470 498120988 /nfs/dbraw/zinc/12/09/88/498120988.db2.gz FSUDRNLMHRINTO-NSHDSACASA-N 1 1 364.352 3.256 20 5 FGBDMO COc1cc(NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000301612174 498186576 /nfs/dbraw/zinc/18/65/76/498186576.db2.gz FPIJEBKYIWKDMO-VXGBXAGGSA-N 1 1 355.410 3.042 20 5 FGBDMO CC[C@@H](Nc1cc(C)c([N+](=O)[O-])cn1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000301644747 498203491 /nfs/dbraw/zinc/20/34/91/498203491.db2.gz HMWAFNWSMONUIO-MJGOQNOKSA-N 1 1 370.453 3.390 20 5 FGBDMO CC[C@@H](Nc1cc(C)c([N+](=O)[O-])cn1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000301644747 498203495 /nfs/dbraw/zinc/20/34/95/498203495.db2.gz HMWAFNWSMONUIO-MJGOQNOKSA-N 1 1 370.453 3.390 20 5 FGBDMO C[N@@H+](CCNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])C1CCCCC1 ZINC000578688082 505997126 /nfs/dbraw/zinc/99/71/26/505997126.db2.gz CCGIWIWMBGZEFY-UHFFFAOYSA-N 1 1 360.458 3.163 20 5 FGBDMO COCCOC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000293034253 498244339 /nfs/dbraw/zinc/24/43/39/498244339.db2.gz JFQRBAIVJWMMTF-UHFFFAOYSA-N 1 1 362.348 3.241 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc([C@@H]3C[N@@H+](C4CCCCC4)CCO3)no2)cc1 ZINC000360445742 498274338 /nfs/dbraw/zinc/27/43/38/498274338.db2.gz IDZUHKAVNBYUKG-INIZCTEOSA-N 1 1 358.398 3.351 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc([C@@H]3C[N@H+](C4CCCCC4)CCO3)no2)cc1 ZINC000360445742 498274346 /nfs/dbraw/zinc/27/43/46/498274346.db2.gz IDZUHKAVNBYUKG-INIZCTEOSA-N 1 1 358.398 3.351 20 5 FGBDMO CC(C)[C@]1(CO)CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000293117048 498275132 /nfs/dbraw/zinc/27/51/32/498275132.db2.gz RGUFPVLGSXYNJZ-LJQANCHMSA-N 1 1 359.426 3.480 20 5 FGBDMO C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000301816519 498276854 /nfs/dbraw/zinc/27/68/54/498276854.db2.gz DRACSFWEURQRLB-DOTOQJQBSA-N 1 1 360.345 3.499 20 5 FGBDMO COc1cc(C[N@@H+](C)C[C@H](C)OC)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000289759090 498280048 /nfs/dbraw/zinc/28/00/48/498280048.db2.gz QWWXUFMNIARDEI-JTQLQIEISA-N 1 1 366.336 3.011 20 5 FGBDMO COc1cc(C[N@H+](C)C[C@H](C)OC)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000289759090 498280053 /nfs/dbraw/zinc/28/00/53/498280053.db2.gz QWWXUFMNIARDEI-JTQLQIEISA-N 1 1 366.336 3.011 20 5 FGBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH+]2CCC3(CC2)OCCCO3)c1 ZINC000293231676 498314309 /nfs/dbraw/zinc/31/43/09/498314309.db2.gz ZFUPEMSXWKBENI-UHFFFAOYSA-N 1 1 360.332 3.343 20 5 FGBDMO CC(C)(C)CC[NH+]1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000301906721 498321925 /nfs/dbraw/zinc/32/19/25/498321925.db2.gz ZGVMVAGRIZZOCA-UHFFFAOYSA-N 1 1 371.279 3.311 20 5 FGBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000302045485 498382239 /nfs/dbraw/zinc/38/22/39/498382239.db2.gz MXBDJMGEHCRRDG-HZPDHXFCSA-N 1 1 374.485 3.045 20 5 FGBDMO O=C([C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1)N1CCCC1 ZINC000293437017 498384614 /nfs/dbraw/zinc/38/46/14/498384614.db2.gz BRJUSFFXMNJPLV-GFCCVEGCSA-N 1 1 371.359 3.058 20 5 FGBDMO O=C1C[C@H]([C@H]2CCCC[N@@H+]2Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CN1 ZINC000362337621 498499282 /nfs/dbraw/zinc/49/92/82/498499282.db2.gz XGYNXGGIJNFJNU-WMLDXEAASA-N 1 1 369.421 3.345 20 5 FGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CCO)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000286947391 498563322 /nfs/dbraw/zinc/56/33/22/498563322.db2.gz MIGBEQMGWNTQAU-HNNXBMFYSA-N 1 1 365.773 3.370 20 5 FGBDMO COc1cccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1[N+](=O)[O-] ZINC000302771496 498566228 /nfs/dbraw/zinc/56/62/28/498566228.db2.gz CHXBCBJGXJHHIV-QGZVFWFLSA-N 1 1 371.437 3.306 20 5 FGBDMO O=[N+]([O-])c1ccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(F)c1 ZINC000302785653 498574794 /nfs/dbraw/zinc/57/47/94/498574794.db2.gz MWGBDYYIHUZYSE-KRWDZBQOSA-N 1 1 359.401 3.437 20 5 FGBDMO Cc1cc(Cl)c(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000298001079 498634618 /nfs/dbraw/zinc/63/46/18/498634618.db2.gz ZEOBKHBSQBUGFF-SWLSCSKDSA-N 1 1 351.834 3.113 20 5 FGBDMO C[N@H+]1CC[C@@H](CNCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000365819629 498654682 /nfs/dbraw/zinc/65/46/82/498654682.db2.gz JTTAVFJSGBCWEK-LPHOPBHVSA-N 1 1 370.409 3.286 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000332454787 498692968 /nfs/dbraw/zinc/69/29/68/498692968.db2.gz GECYPIIOBTWINF-DZKIICNBSA-N 1 1 363.483 3.161 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000332454787 498692972 /nfs/dbraw/zinc/69/29/72/498692972.db2.gz GECYPIIOBTWINF-DZKIICNBSA-N 1 1 363.483 3.161 20 5 FGBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000579017189 506075260 /nfs/dbraw/zinc/07/52/60/506075260.db2.gz NGDPUASPWPXASO-PKOBYXMFSA-N 1 1 365.433 3.156 20 5 FGBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000294727371 498784875 /nfs/dbraw/zinc/78/48/75/498784875.db2.gz NABAQNIZQWKZFW-LBPRGKRZSA-N 1 1 373.375 3.464 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)c2c(c1)COCO2 ZINC000363409062 498804542 /nfs/dbraw/zinc/80/45/42/498804542.db2.gz KPMVJMCHWOZBAG-GOSISDBHSA-N 1 1 356.378 3.115 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)c2c(c1)COCO2 ZINC000363409062 498804546 /nfs/dbraw/zinc/80/45/46/498804546.db2.gz KPMVJMCHWOZBAG-GOSISDBHSA-N 1 1 356.378 3.115 20 5 FGBDMO CCCCCC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000283336957 498855701 /nfs/dbraw/zinc/85/57/01/498855701.db2.gz AOIDAVOCAVOLTC-UHFFFAOYSA-N 1 1 351.422 3.395 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@@H](n4cccn4)C3)cs2)c1 ZINC000291323662 498894002 /nfs/dbraw/zinc/89/40/02/498894002.db2.gz TUPDKYFJCBNIDZ-MRXNPFEDSA-N 1 1 355.423 3.362 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CC[C@@H](n4cccn4)C3)cs2)c1 ZINC000291323662 498894011 /nfs/dbraw/zinc/89/40/11/498894011.db2.gz TUPDKYFJCBNIDZ-MRXNPFEDSA-N 1 1 355.423 3.362 20 5 FGBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1F ZINC000283806081 498987572 /nfs/dbraw/zinc/98/75/72/498987572.db2.gz BQQWESAZMDDJMH-KGLIPLIRSA-N 1 1 363.433 3.425 20 5 FGBDMO C[N@H+]1CC[C@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000363958237 499067330 /nfs/dbraw/zinc/06/73/30/499067330.db2.gz CEOQQCADVWXAQD-BZNIZROVSA-N 1 1 363.414 3.218 20 5 FGBDMO Cc1c(CC(=O)N2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000367353515 499186967 /nfs/dbraw/zinc/18/69/67/499186967.db2.gz KZFMWUWTPLPGAT-QGZVFWFLSA-N 1 1 371.481 3.169 20 5 FGBDMO O=C(CC[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000367364132 499188934 /nfs/dbraw/zinc/18/89/34/499188934.db2.gz ACFZCMXFXZDAGS-CVEARBPZSA-N 1 1 361.442 3.062 20 5 FGBDMO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCCc2[nH+]ccn21 ZINC000368121107 499266480 /nfs/dbraw/zinc/26/64/80/499266480.db2.gz GISABXGEOYHQAP-CYBMUJFWSA-N 1 1 368.315 3.004 20 5 FGBDMO CC(C)c1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000371028127 499281709 /nfs/dbraw/zinc/28/17/09/499281709.db2.gz NJHXQKZWUJTLRR-AWEZNQCLSA-N 1 1 360.389 3.359 20 5 FGBDMO CC1(O)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000371336307 499312607 /nfs/dbraw/zinc/31/26/07/499312607.db2.gz ORXXAAZKEFIBCO-ODOQXGPZSA-N 1 1 355.232 3.235 20 5 FGBDMO CC1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000371336307 499312608 /nfs/dbraw/zinc/31/26/08/499312608.db2.gz ORXXAAZKEFIBCO-ODOQXGPZSA-N 1 1 355.232 3.235 20 5 FGBDMO Cc1cc(N2CCC[N@H+]3CCC[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000371476214 499331992 /nfs/dbraw/zinc/33/19/92/499331992.db2.gz WLPZXFZCSPYVBR-QGZVFWFLSA-N 1 1 353.426 3.035 20 5 FGBDMO Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000368997336 499354818 /nfs/dbraw/zinc/35/48/18/499354818.db2.gz CRVHKOQPBWNJAA-JKSUJKDBSA-N 1 1 371.441 3.072 20 5 FGBDMO Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000368997336 499354820 /nfs/dbraw/zinc/35/48/20/499354820.db2.gz CRVHKOQPBWNJAA-JKSUJKDBSA-N 1 1 371.441 3.072 20 5 FGBDMO Cc1cnc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c([N+](=O)[O-])c1 ZINC000390967535 499556063 /nfs/dbraw/zinc/55/60/63/499556063.db2.gz PXLFBTFBDKOWMK-KRWDZBQOSA-N 1 1 356.426 3.001 20 5 FGBDMO C[N@H+]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C2(CCCCC2)C1 ZINC000408225576 499581018 /nfs/dbraw/zinc/58/10/18/499581018.db2.gz ZPAHOLJKWXXIMW-UHFFFAOYSA-N 1 1 356.426 3.167 20 5 FGBDMO CN1CCC[C@@H]1[C@H]1CCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000376226753 499592703 /nfs/dbraw/zinc/59/27/03/499592703.db2.gz ONDPBGQCWDVDIW-QZTJIDSGSA-N 1 1 370.453 3.351 20 5 FGBDMO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000376226753 499592705 /nfs/dbraw/zinc/59/27/05/499592705.db2.gz ONDPBGQCWDVDIW-QZTJIDSGSA-N 1 1 370.453 3.351 20 5 FGBDMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000376226753 499592706 /nfs/dbraw/zinc/59/27/06/499592706.db2.gz ONDPBGQCWDVDIW-QZTJIDSGSA-N 1 1 370.453 3.351 20 5 FGBDMO COC[C@H]1CCCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000376369042 499603408 /nfs/dbraw/zinc/60/34/08/499603408.db2.gz NVXLSSOKHLBZRK-OLZOCXBDSA-N 1 1 369.849 3.324 20 5 FGBDMO COC[C@H]1CCCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000376369042 499603410 /nfs/dbraw/zinc/60/34/10/499603410.db2.gz NVXLSSOKHLBZRK-OLZOCXBDSA-N 1 1 369.849 3.324 20 5 FGBDMO C[C@@H]1OCC[C@]1(O)C[N@@H+](Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000573249384 506152839 /nfs/dbraw/zinc/15/28/39/506152839.db2.gz HRLXSTRXNDXJEX-JXFKEZNVSA-N 1 1 356.422 3.137 20 5 FGBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000377309801 499678977 /nfs/dbraw/zinc/67/89/77/499678977.db2.gz KKWPKVSQHYBLOO-UHFFFAOYSA-N 1 1 371.441 3.248 20 5 FGBDMO O=C(CC[N@H+](Cc1ccco1)C[C@@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411187018 499708532 /nfs/dbraw/zinc/70/85/32/499708532.db2.gz RTZYNYFVRDUHDB-SFHVURJKSA-N 1 1 373.409 3.198 20 5 FGBDMO C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000411190295 499708615 /nfs/dbraw/zinc/70/86/15/499708615.db2.gz NWXUIHAOMFUIJR-VQTJNVASSA-N 1 1 367.449 3.337 20 5 FGBDMO Cc1ncc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])c(C)n3)[C@H](C)C2)s1 ZINC000378133413 499760502 /nfs/dbraw/zinc/76/05/02/499760502.db2.gz KVSDKMTUAJZVSI-IAQYHMDHSA-N 1 1 361.471 3.386 20 5 FGBDMO CN(C)C(=O)C1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000414490487 499798690 /nfs/dbraw/zinc/79/86/90/499798690.db2.gz VKLSAUIXMBBMTB-UHFFFAOYSA-N 1 1 363.801 3.219 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411953498 499806276 /nfs/dbraw/zinc/80/62/76/499806276.db2.gz UIGDBBUDOMJZQP-HKUYNNGSSA-N 1 1 369.421 3.040 20 5 FGBDMO CC(C)[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H]1CCC(=O)N1 ZINC000414557573 499808571 /nfs/dbraw/zinc/80/85/71/499808571.db2.gz LZCYHGGBVIKWCG-HNNXBMFYSA-N 1 1 357.410 3.344 20 5 FGBDMO CC(C)[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H]1CCC(=O)N1 ZINC000414563586 499810026 /nfs/dbraw/zinc/81/00/26/499810026.db2.gz WIDMMMWPELEDOK-OAHLLOKOSA-N 1 1 357.410 3.344 20 5 FGBDMO CC(C)[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@H]1CCC(=O)N1 ZINC000414591116 499812352 /nfs/dbraw/zinc/81/23/52/499812352.db2.gz YFAWHTLZPMPZQP-CQSZACIVSA-N 1 1 374.466 3.207 20 5 FGBDMO CC(C)[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@H]1CCC(=O)N1 ZINC000414591116 499812353 /nfs/dbraw/zinc/81/23/53/499812353.db2.gz YFAWHTLZPMPZQP-CQSZACIVSA-N 1 1 374.466 3.207 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000412199534 499833164 /nfs/dbraw/zinc/83/31/64/499833164.db2.gz HDVBERUIDUIWBM-AYOQOUSVSA-N 1 1 359.470 3.183 20 5 FGBDMO COc1ccc(CN[C@H](C)CC[NH3+])cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414899550 499842961 /nfs/dbraw/zinc/84/29/61/499842961.db2.gz UXHXMLBTMVRRAZ-CQSZACIVSA-N 1 1 359.426 3.009 20 5 FGBDMO C[N@@H+]1CC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1c1ccccc1 ZINC000573290826 506162361 /nfs/dbraw/zinc/16/23/61/506162361.db2.gz QGPYLIVZBDIGMP-QFBILLFUSA-N 1 1 351.410 3.006 20 5 FGBDMO C[N@H+]1CC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1c1ccccc1 ZINC000573290826 506162365 /nfs/dbraw/zinc/16/23/65/506162365.db2.gz QGPYLIVZBDIGMP-QFBILLFUSA-N 1 1 351.410 3.006 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CCC[N@H+](Cc3cscn3)CC2)c2cccnc21 ZINC000413119144 499916278 /nfs/dbraw/zinc/91/62/78/499916278.db2.gz NCGFHNGEWDIIQQ-UHFFFAOYSA-N 1 1 369.450 3.312 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CCC[N@@H+](Cc3cscn3)CC2)c2cccnc21 ZINC000413119144 499916279 /nfs/dbraw/zinc/91/62/79/499916279.db2.gz NCGFHNGEWDIIQQ-UHFFFAOYSA-N 1 1 369.450 3.312 20 5 FGBDMO CCOCC[N@H+]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)C[C@H]1CC ZINC000413136064 499918061 /nfs/dbraw/zinc/91/80/61/499918061.db2.gz SHFYRTXQXDUGOY-OAHLLOKOSA-N 1 1 358.442 3.080 20 5 FGBDMO CC[C@H](Nc1ncc([N+](=O)[O-])cc1F)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000413206886 499926717 /nfs/dbraw/zinc/92/67/17/499926717.db2.gz ZFINLNFWQUXABL-ZWKOTPCHSA-N 1 1 374.416 3.220 20 5 FGBDMO CC[C@H](Nc1ncc([N+](=O)[O-])cc1F)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000413206886 499926719 /nfs/dbraw/zinc/92/67/19/499926719.db2.gz ZFINLNFWQUXABL-ZWKOTPCHSA-N 1 1 374.416 3.220 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+]Cc2ccccc21 ZINC000428903575 499956142 /nfs/dbraw/zinc/95/61/42/499956142.db2.gz ZERDLPNADGESRK-ZDUSSCGKSA-N 1 1 357.435 3.212 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)[C@@H](C)C1 ZINC000413497388 499972452 /nfs/dbraw/zinc/97/24/52/499972452.db2.gz FYSQNDKOYOFHAZ-GOEBONIOSA-N 1 1 363.458 3.184 20 5 FGBDMO COc1ccc(OCc2ccc(C[NH+]3CCOCC3)cc2)c([N+](=O)[O-])c1 ZINC000421180295 499985013 /nfs/dbraw/zinc/98/50/13/499985013.db2.gz GXOKXXWYAHRIIS-UHFFFAOYSA-N 1 1 358.394 3.015 20 5 FGBDMO CC(C)(C)c1cc(NC(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])on1 ZINC000429244559 500033433 /nfs/dbraw/zinc/03/34/33/500033433.db2.gz LPSQYMJWNYSRTO-UHFFFAOYSA-N 1 1 360.414 3.344 20 5 FGBDMO C[C@H]1CN(CCC[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000417336402 500043623 /nfs/dbraw/zinc/04/36/23/500043623.db2.gz VEOGWWUBXKFSQW-JXFKEZNVSA-N 1 1 361.486 3.453 20 5 FGBDMO O=[N+]([O-])c1ccc(O)cc1CN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425358211 500084450 /nfs/dbraw/zinc/08/44/50/500084450.db2.gz ZZJQEKBHERHYOP-OXJNMPFZSA-N 1 1 353.422 3.007 20 5 FGBDMO O=[N+]([O-])c1ccc(O)cc1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425358211 500084451 /nfs/dbraw/zinc/08/44/51/500084451.db2.gz ZZJQEKBHERHYOP-OXJNMPFZSA-N 1 1 353.422 3.007 20 5 FGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425548641 500141366 /nfs/dbraw/zinc/14/13/66/500141366.db2.gz GPFVRWZNZSRVLW-KBXCAEBGSA-N 1 1 373.453 3.203 20 5 FGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425548641 500141369 /nfs/dbraw/zinc/14/13/69/500141369.db2.gz GPFVRWZNZSRVLW-KBXCAEBGSA-N 1 1 373.453 3.203 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000430093447 500191426 /nfs/dbraw/zinc/19/14/26/500191426.db2.gz FGBXLIRUCPRMJP-SFHVURJKSA-N 1 1 362.426 3.157 20 5 FGBDMO CN(C(=O)[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000430292689 500222505 /nfs/dbraw/zinc/22/25/05/500222505.db2.gz CLAQHCIGMTXQJZ-AWEZNQCLSA-N 1 1 357.385 3.219 20 5 FGBDMO CN(C(=O)[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000430292689 500222507 /nfs/dbraw/zinc/22/25/07/500222507.db2.gz CLAQHCIGMTXQJZ-AWEZNQCLSA-N 1 1 357.385 3.219 20 5 FGBDMO CC(C)(c1nc([C@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1)c1ccccc1[N+](=O)[O-] ZINC000426604447 500293920 /nfs/dbraw/zinc/29/39/20/500293920.db2.gz UFXPETPSIRAUNC-BEFAXECRSA-N 1 1 372.425 3.230 20 5 FGBDMO CC(C)(c1nc([C@H]2C[N@H+]3CCC[C@@]3(C)CO2)no1)c1ccccc1[N+](=O)[O-] ZINC000426604447 500293923 /nfs/dbraw/zinc/29/39/23/500293923.db2.gz UFXPETPSIRAUNC-BEFAXECRSA-N 1 1 372.425 3.230 20 5 FGBDMO Cc1ccc(C[N@@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000430876038 500300294 /nfs/dbraw/zinc/30/02/94/500300294.db2.gz PTNAWPDBEJGOHI-KRWDZBQOSA-N 1 1 353.422 3.388 20 5 FGBDMO O=C([C@H]1CCCC[N@H+]1C1CCCC1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000427961997 500451598 /nfs/dbraw/zinc/45/15/98/500451598.db2.gz DORUZFUHBRSGAT-GOSISDBHSA-N 1 1 373.453 3.113 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CSCC[N@H+]2Cc2ccccc2)n1 ZINC000428668246 500540941 /nfs/dbraw/zinc/54/09/41/500540941.db2.gz YWTSZMSCAIVWNY-INIZCTEOSA-N 1 1 358.467 3.328 20 5 FGBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@H](C2CCCC2)C1 ZINC000420964808 500543326 /nfs/dbraw/zinc/54/33/26/500543326.db2.gz QRVOMQXJYDOWKB-HNNXBMFYSA-N 1 1 359.426 3.405 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](C2CCCC2)C1 ZINC000420967387 500543548 /nfs/dbraw/zinc/54/35/48/500543548.db2.gz YKKHSQPIPAOYCL-OAHLLOKOSA-N 1 1 361.442 3.444 20 5 FGBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C1 ZINC000433771091 500741783 /nfs/dbraw/zinc/74/17/83/500741783.db2.gz MMVJDEBTNITZLQ-CYBMUJFWSA-N 1 1 365.478 3.072 20 5 FGBDMO CC(C)[N@@H+](C)CCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444017704 500792697 /nfs/dbraw/zinc/79/26/97/500792697.db2.gz AOMGDHYOUGFNJX-UHFFFAOYSA-N 1 1 373.403 3.030 20 5 FGBDMO CCCC[N@@H+](C)CCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444015651 500792772 /nfs/dbraw/zinc/79/27/72/500792772.db2.gz VVNUABBVYGDFNF-UHFFFAOYSA-N 1 1 369.440 3.282 20 5 FGBDMO C[C@@]1(c2ccccc2)CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000438494190 500792769 /nfs/dbraw/zinc/79/27/69/500792769.db2.gz SHVFTRHPIIGFFU-PZJWPPBQSA-N 1 1 365.433 3.364 20 5 FGBDMO CC[N@@H+](CCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(C)C ZINC000444041985 500795874 /nfs/dbraw/zinc/79/58/74/500795874.db2.gz HFJBWZJGOAJJDT-UHFFFAOYSA-N 1 1 351.450 3.141 20 5 FGBDMO CC[C@@H]1CCCC[C@@H]1[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000444663226 500875171 /nfs/dbraw/zinc/87/51/71/500875171.db2.gz KETBIUAXAMRFSU-PBHICJAKSA-N 1 1 354.472 3.269 20 5 FGBDMO Cc1ccc(NCCCNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)[nH+]c1 ZINC000439517150 500909331 /nfs/dbraw/zinc/90/93/31/500909331.db2.gz FTTQPBMTWHNCQY-UHFFFAOYSA-N 1 1 356.426 3.076 20 5 FGBDMO C[C@@H](CN1CCOCC1)[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000435042664 500926336 /nfs/dbraw/zinc/92/63/36/500926336.db2.gz WILIICIYCVBJBQ-HNNXBMFYSA-N 1 1 359.426 3.007 20 5 FGBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000445915708 501050903 /nfs/dbraw/zinc/05/09/03/501050903.db2.gz JYIKBTFSRGKEKX-VQIMIIECSA-N 1 1 367.449 3.479 20 5 FGBDMO COc1ccc(OCC[N@@H+](C)[C@@H](C)[C@@H]2Cc3ccccc3O2)c([N+](=O)[O-])c1 ZINC000441056448 501081667 /nfs/dbraw/zinc/08/16/67/501081667.db2.gz YLQJNTYJSMFNRM-XOBRGWDASA-N 1 1 372.421 3.306 20 5 FGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000436252611 501096285 /nfs/dbraw/zinc/09/62/85/501096285.db2.gz JDRJXMWCQGMLRT-HBGVWJBISA-N 1 1 367.449 3.241 20 5 FGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000436252611 501096288 /nfs/dbraw/zinc/09/62/88/501096288.db2.gz JDRJXMWCQGMLRT-HBGVWJBISA-N 1 1 367.449 3.241 20 5 FGBDMO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000450391986 501109411 /nfs/dbraw/zinc/10/94/11/501109411.db2.gz NZTGBALIBWJJQQ-DNVCBOLYSA-N 1 1 369.469 3.430 20 5 FGBDMO C[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[N@@H+](C)Cc1ccccc1 ZINC000446429229 501120615 /nfs/dbraw/zinc/12/06/15/501120615.db2.gz GPPQZFPEDSIEDO-OAHLLOKOSA-N 1 1 353.422 3.000 20 5 FGBDMO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000436407492 501122106 /nfs/dbraw/zinc/12/21/06/501122106.db2.gz TVUQVNMRMAJLSI-DGCLKSJQSA-N 1 1 370.375 3.462 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCn1c[nH+]c2c1C[C@@H](C)[C@@H](C)C2 ZINC000451346683 501271344 /nfs/dbraw/zinc/27/13/44/501271344.db2.gz UPAZQMSPRRXMNL-UONOGXRCSA-N 1 1 356.426 3.499 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451428377 501290852 /nfs/dbraw/zinc/29/08/52/501290852.db2.gz WCYBSVYGQKCLGQ-VJUNAUMWSA-N 1 1 372.425 3.331 20 5 FGBDMO CC(C)O[C@@H]1C[C@H]([NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1(C)C ZINC000451488662 501304607 /nfs/dbraw/zinc/30/46/07/501304607.db2.gz BIHHTYXZCOAXNE-LSDHHAIUSA-N 1 1 360.414 3.327 20 5 FGBDMO CC1(C)C[C@H]([NH2+]Cc2nc(-c3ccccn3)n[nH]2)c2cc([N+](=O)[O-])ccc21 ZINC000453344364 501317781 /nfs/dbraw/zinc/31/77/81/501317781.db2.gz HCDUESUEISDSKX-INIZCTEOSA-N 1 1 364.409 3.287 20 5 FGBDMO COc1ccc2nc(C[N@@H+]3CCC[C@@H](c4ccc([N+](=O)[O-])cc4)C3)[nH]c2n1 ZINC000451549655 501321141 /nfs/dbraw/zinc/32/11/41/501321141.db2.gz PXIPDBHSEZLHCJ-CQSZACIVSA-N 1 1 367.409 3.254 20 5 FGBDMO COc1ccc2nc(C[N@H+]3CCC[C@@H](c4ccc([N+](=O)[O-])cc4)C3)[nH]c2n1 ZINC000451549655 501321144 /nfs/dbraw/zinc/32/11/44/501321144.db2.gz PXIPDBHSEZLHCJ-CQSZACIVSA-N 1 1 367.409 3.254 20 5 FGBDMO O=C(C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)NCc1ccccc1F ZINC000451558784 501324069 /nfs/dbraw/zinc/32/40/69/501324069.db2.gz GRGGNIYHDDYFNV-QGZVFWFLSA-N 1 1 371.412 3.230 20 5 FGBDMO O=C(C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)NCc1ccccc1F ZINC000451558784 501324074 /nfs/dbraw/zinc/32/40/74/501324074.db2.gz GRGGNIYHDDYFNV-QGZVFWFLSA-N 1 1 371.412 3.230 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCCC[C@@H]2CO)cc1OC ZINC000611661190 506247118 /nfs/dbraw/zinc/24/71/18/506247118.db2.gz MNPIBEJJFYJRCN-GOEBONIOSA-N 1 1 366.458 3.375 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCCC[C@@H]2CO)cc1OC ZINC000611661190 506247122 /nfs/dbraw/zinc/24/71/22/506247122.db2.gz MNPIBEJJFYJRCN-GOEBONIOSA-N 1 1 366.458 3.375 20 5 FGBDMO COC(=O)[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1c1ccccc1 ZINC000451997585 501415518 /nfs/dbraw/zinc/41/55/18/501415518.db2.gz ALHFIHUZXAVFCE-QZTJIDSGSA-N 1 1 354.406 3.292 20 5 FGBDMO COC[C@@H]1CCCC[N@@H+]1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000452032497 501421420 /nfs/dbraw/zinc/42/14/20/501421420.db2.gz WGBKTOQCRBDRQF-LBPRGKRZSA-N 1 1 360.357 3.206 20 5 FGBDMO COC[C@@H]1CCCC[N@H+]1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000452032497 501421422 /nfs/dbraw/zinc/42/14/22/501421422.db2.gz WGBKTOQCRBDRQF-LBPRGKRZSA-N 1 1 360.357 3.206 20 5 FGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000602679772 506258640 /nfs/dbraw/zinc/25/86/40/506258640.db2.gz JDKRHSIVMIUGFE-CABZTGNLSA-N 1 1 372.265 3.359 20 5 FGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000602679772 506258647 /nfs/dbraw/zinc/25/86/47/506258647.db2.gz JDKRHSIVMIUGFE-CABZTGNLSA-N 1 1 372.265 3.359 20 5 FGBDMO CCCC[N@@H+](C)CC1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611700274 506262367 /nfs/dbraw/zinc/26/23/67/506262367.db2.gz FWIRREQLFXISSF-UHFFFAOYSA-N 1 1 357.458 3.486 20 5 FGBDMO C[C@@H]1C[C@H](NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C[N@H+]1C1CC1 ZINC000454651933 501601669 /nfs/dbraw/zinc/60/16/69/501601669.db2.gz HBMQJJYAEXHTRN-PVAVHDDUSA-N 1 1 372.469 3.109 20 5 FGBDMO C[N@H+]1CCC[C@H](CCNC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000459313715 501629305 /nfs/dbraw/zinc/62/93/05/501629305.db2.gz ORLXJIXXGDULIX-AEFFLSMTSA-N 1 1 374.485 3.216 20 5 FGBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000457114198 501652565 /nfs/dbraw/zinc/65/25/65/501652565.db2.gz KKBVFWYROOHBKX-HNNXBMFYSA-N 1 1 374.466 3.273 20 5 FGBDMO COc1cc(CNC[C@@H]2CC[N@H+]2C2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000598992470 506266285 /nfs/dbraw/zinc/26/62/85/506266285.db2.gz PAMSPDTYQFYQMG-INIZCTEOSA-N 1 1 363.458 3.109 20 5 FGBDMO COc1cc(C[NH2+]C[C@@H]2CCN2C2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000598992470 506266294 /nfs/dbraw/zinc/26/62/94/506266294.db2.gz PAMSPDTYQFYQMG-INIZCTEOSA-N 1 1 363.458 3.109 20 5 FGBDMO C[C@@H]1CN(c2ccccc2C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000459546476 501674242 /nfs/dbraw/zinc/67/42/42/501674242.db2.gz QTYVKYXXIIRYKY-QGZVFWFLSA-N 1 1 369.465 3.494 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@](C)(C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000459565076 501677780 /nfs/dbraw/zinc/67/77/80/501677780.db2.gz RIBSTNWJRMXRDO-GOSISDBHSA-N 1 1 350.415 3.157 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000459570331 501678648 /nfs/dbraw/zinc/67/86/48/501678648.db2.gz ZHXCFEZKSARYMQ-GOSISDBHSA-N 1 1 350.415 3.157 20 5 FGBDMO COc1cc(C[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C)c([N+](=O)[O-])cc1F ZINC000459833239 501718708 /nfs/dbraw/zinc/71/87/08/501718708.db2.gz UVUDBOFOLVHQOD-NSHDSACASA-N 1 1 356.394 3.152 20 5 FGBDMO COc1cc(C[N@@H+](C)C[C@H](C)C(=O)OC(C)(C)C)c([N+](=O)[O-])cc1F ZINC000459833239 501718710 /nfs/dbraw/zinc/71/87/10/501718710.db2.gz UVUDBOFOLVHQOD-NSHDSACASA-N 1 1 356.394 3.152 20 5 FGBDMO CC(C)[N@H+]1CCC[C@@H](NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000470671481 501761794 /nfs/dbraw/zinc/76/17/94/501761794.db2.gz TYPVOAKBWZSMRO-UONOGXRCSA-N 1 1 351.472 3.064 20 5 FGBDMO CN(C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474336177 501794965 /nfs/dbraw/zinc/79/49/65/501794965.db2.gz ZADVYUBWVOCVRG-GOSISDBHSA-N 1 1 354.410 3.333 20 5 FGBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000582526319 506273859 /nfs/dbraw/zinc/27/38/59/506273859.db2.gz QVWRMRBRNFMIAZ-HNNXBMFYSA-N 1 1 373.375 3.359 20 5 FGBDMO C[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@@H]1c1cccs1 ZINC000596145965 506278621 /nfs/dbraw/zinc/27/86/21/506278621.db2.gz JGBXCWFOQGNNHU-SJKOYZFVSA-N 1 1 374.466 3.250 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000460718415 501903152 /nfs/dbraw/zinc/90/31/52/501903152.db2.gz LBNHDQDMFBPASZ-QGZVFWFLSA-N 1 1 353.422 3.298 20 5 FGBDMO C[C@@H](CNc1ncc(Br)cc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000474785279 501952031 /nfs/dbraw/zinc/95/20/31/501952031.db2.gz RSZSJOPKKAUBIE-QWRGUYRKSA-N 1 1 357.252 3.427 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CCO)CC1CCCCC1 ZINC000485890470 501978621 /nfs/dbraw/zinc/97/86/21/501978621.db2.gz SZPAOIPTXQKQBI-UHFFFAOYSA-N 1 1 363.458 3.106 20 5 FGBDMO CC1(C)CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000461118587 502018895 /nfs/dbraw/zinc/01/88/95/502018895.db2.gz MBWBPWCUWHNWTB-UHFFFAOYSA-N 1 1 367.449 3.260 20 5 FGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000461263911 502056150 /nfs/dbraw/zinc/05/61/50/502056150.db2.gz KLBKQIGYQPGLNP-HUUCEWRRSA-N 1 1 365.499 3.408 20 5 FGBDMO CCC[C@H]1CCCC[N@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000475100059 502059236 /nfs/dbraw/zinc/05/92/36/502059236.db2.gz GVQLAJAZOWMCSB-HNNXBMFYSA-N 1 1 350.415 3.301 20 5 FGBDMO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000475203591 502098353 /nfs/dbraw/zinc/09/83/53/502098353.db2.gz HGBBTLNKWFJYOX-GXTWGEPZSA-N 1 1 372.347 3.362 20 5 FGBDMO Cc1cc(C(F)(F)F)cc(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)[nH+]1 ZINC000596174643 506293324 /nfs/dbraw/zinc/29/33/24/506293324.db2.gz KAWYESFMTRFCLE-GFCCVEGCSA-N 1 1 367.331 3.403 20 5 FGBDMO COC(=O)[C@H](C)[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000482678545 502150159 /nfs/dbraw/zinc/15/01/59/502150159.db2.gz MQXPZNTTZPBRSI-XIKOKIGWSA-N 1 1 368.393 3.111 20 5 FGBDMO COC(=O)[C@@H](C)[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000482678539 502150369 /nfs/dbraw/zinc/15/03/69/502150369.db2.gz MQXPZNTTZPBRSI-KPZWWZAWSA-N 1 1 368.393 3.111 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@@H]3Cc3ccccc3)o2)cc1 ZINC000479118172 502168782 /nfs/dbraw/zinc/16/87/82/502168782.db2.gz DOAGOKGXXVTZGD-QGZVFWFLSA-N 1 1 350.378 3.462 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@@H]3Cc3ccccc3)o2)cc1 ZINC000479118172 502168787 /nfs/dbraw/zinc/16/87/87/502168787.db2.gz DOAGOKGXXVTZGD-QGZVFWFLSA-N 1 1 350.378 3.462 20 5 FGBDMO Cc1cc(NCC(C)(C)[NH+]2CCOCC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461726201 502181505 /nfs/dbraw/zinc/18/15/05/502181505.db2.gz DNZPPSRGTAWUPQ-UHFFFAOYSA-N 1 1 361.364 3.445 20 5 FGBDMO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000482913508 502214650 /nfs/dbraw/zinc/21/46/50/502214650.db2.gz UUYUCCFMTPBVCD-INIZCTEOSA-N 1 1 365.861 3.314 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1c(C(F)(F)F)cnn1C ZINC000599062514 506302145 /nfs/dbraw/zinc/30/21/45/506302145.db2.gz XRCCEGYCKGLIFL-SECBINFHSA-N 1 1 358.320 3.207 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@@]2(CO)Cc2ccccc2)c([N+](=O)[O-])cc1F ZINC000475679688 502253467 /nfs/dbraw/zinc/25/34/67/502253467.db2.gz NJVHUQXUPBESFZ-FQEVSTJZSA-N 1 1 374.412 3.312 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@@H](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000475711550 502260387 /nfs/dbraw/zinc/26/03/87/502260387.db2.gz CFWGWMBYUGJSFE-HNNXBMFYSA-N 1 1 364.442 3.405 20 5 FGBDMO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cc2cccc(F)c2o1 ZINC000475724930 502266762 /nfs/dbraw/zinc/26/67/62/502266762.db2.gz MVPGJNQLLITEJM-SNVBAGLBSA-N 1 1 357.341 3.430 20 5 FGBDMO CCCCOc1ccc([C@H](C)[NH2+]Cc2cn(C)nc2[N+](=O)[O-])cc1OC ZINC000602798061 506303788 /nfs/dbraw/zinc/30/37/88/506303788.db2.gz FUHVLLVNRQVHSQ-ZDUSSCGKSA-N 1 1 362.430 3.367 20 5 FGBDMO Cc1ccc(CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)Cc2ccco2)cc1 ZINC000472237276 502280663 /nfs/dbraw/zinc/28/06/63/502280663.db2.gz GSSBSOHRVSLRSU-UHFFFAOYSA-N 1 1 354.410 3.438 20 5 FGBDMO CCCCOc1ccc([C@@H](C)[NH2+]Cc2cn(C)nc2[N+](=O)[O-])cc1OC ZINC000602798054 506304001 /nfs/dbraw/zinc/30/40/01/506304001.db2.gz FUHVLLVNRQVHSQ-CYBMUJFWSA-N 1 1 362.430 3.367 20 5 FGBDMO CCc1[nH+]ccn1[C@@H]1CCCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000486933778 502308755 /nfs/dbraw/zinc/30/87/55/502308755.db2.gz AXBQPDCKCMOTIQ-OAHLLOKOSA-N 1 1 368.397 3.245 20 5 FGBDMO COc1ncc(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c2ccccc21 ZINC000602801761 506306102 /nfs/dbraw/zinc/30/61/02/506306102.db2.gz NOTSROSQVGZQKH-UHFFFAOYSA-N 1 1 350.378 3.105 20 5 FGBDMO COc1ncc(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c2ccccc21 ZINC000602801761 506306105 /nfs/dbraw/zinc/30/61/05/506306105.db2.gz NOTSROSQVGZQKH-UHFFFAOYSA-N 1 1 350.378 3.105 20 5 FGBDMO Cc1ncc(CNC(=O)CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000602800954 506306315 /nfs/dbraw/zinc/30/63/15/506306315.db2.gz ZYJUJLRDDQSHGA-UHFFFAOYSA-N 1 1 374.466 3.031 20 5 FGBDMO C[C@@H]1OCC[C@]1(O)C[N@@H+](Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000582586186 506309536 /nfs/dbraw/zinc/30/95/36/506309536.db2.gz ZXBNUNQTEJMOCV-JXFKEZNVSA-N 1 1 356.422 3.137 20 5 FGBDMO Cn1ccnc1[C@@H](NC[C@H]1CC[N@H+]1C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000599073527 506310112 /nfs/dbraw/zinc/31/01/12/506310112.db2.gz IHYSTLKCTJWSFY-MOPGFXCFSA-N 1 1 369.469 3.024 20 5 FGBDMO C[C@@]1(c2ccc(F)cc2)CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000483428199 502388714 /nfs/dbraw/zinc/38/87/14/502388714.db2.gz CBBVYIJDNNWGEF-YLJYHZDGSA-N 1 1 374.412 3.137 20 5 FGBDMO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487266608 502405508 /nfs/dbraw/zinc/40/55/08/502405508.db2.gz IZJKYCOCBAAKIJ-QAPCUYQASA-N 1 1 353.422 3.235 20 5 FGBDMO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487388619 502432252 /nfs/dbraw/zinc/43/22/52/502432252.db2.gz MGTKMAQXLHLYSU-HOCLYGCPSA-N 1 1 371.412 3.374 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)nc1OCc1ccccc1 ZINC000462507642 502469562 /nfs/dbraw/zinc/46/95/62/502469562.db2.gz YKPSRBGEZHYEJG-SJORKVTESA-N 1 1 368.437 3.029 20 5 FGBDMO C[C@@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000487813831 502535693 /nfs/dbraw/zinc/53/56/93/502535693.db2.gz BMUUZZRNPMTLBZ-GJZGRUSLSA-N 1 1 362.474 3.250 20 5 FGBDMO C[C@@H](NC(=O)N1CC[N@H+]([C@H]2C[C@@H]2C)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000488006502 502597441 /nfs/dbraw/zinc/59/74/41/502597441.db2.gz GGUQAXCNXASSSD-AFIMGQEJSA-N 1 1 360.458 3.028 20 5 FGBDMO COCC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCC[C@@H]1C ZINC000488060900 502614291 /nfs/dbraw/zinc/61/42/91/502614291.db2.gz JPSTUNJSYIXTIH-BBRMVZONSA-N 1 1 360.414 3.282 20 5 FGBDMO Cn1cc[nH+]c1C[C@H]1CCCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000488075065 502618779 /nfs/dbraw/zinc/61/87/79/502618779.db2.gz BUEWXCSMQLKBPE-CQSZACIVSA-N 1 1 351.410 3.336 20 5 FGBDMO Cc1cc(N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c(Br)cc1[N+](=O)[O-] ZINC000473536699 502628710 /nfs/dbraw/zinc/62/87/10/502628710.db2.gz XACGWEFKAYPEMK-NHYWBVRUSA-N 1 1 354.248 3.196 20 5 FGBDMO C[C@H](CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000470116128 502666158 /nfs/dbraw/zinc/66/61/58/502666158.db2.gz DGPQAOCHOSNNIM-CYBMUJFWSA-N 1 1 372.400 3.302 20 5 FGBDMO CN(C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000470128601 502670647 /nfs/dbraw/zinc/67/06/47/502670647.db2.gz NRBLAZVZIZOQFA-QGZVFWFLSA-N 1 1 372.400 3.472 20 5 FGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000470174532 502695004 /nfs/dbraw/zinc/69/50/04/502695004.db2.gz LVFROBFXRVDRHA-WBILKINKSA-N 1 1 359.470 3.183 20 5 FGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000470174532 502695009 /nfs/dbraw/zinc/69/50/09/502695009.db2.gz LVFROBFXRVDRHA-WBILKINKSA-N 1 1 359.470 3.183 20 5 FGBDMO 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ZINC000512165669 503474501 /nfs/dbraw/zinc/47/45/01/503474501.db2.gz HIGAJXQRECPYLV-UHFFFAOYSA-N 1 1 368.393 3.328 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000512165669 503474507 /nfs/dbraw/zinc/47/45/07/503474507.db2.gz HIGAJXQRECPYLV-UHFFFAOYSA-N 1 1 368.393 3.328 20 5 FGBDMO C[C@@H]1CN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000508376485 503485316 /nfs/dbraw/zinc/48/53/16/503485316.db2.gz PQYAECMSWKMJQP-CABCVRRESA-N 1 1 353.422 3.355 20 5 FGBDMO C[C@@H]1CN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000508376485 503485319 /nfs/dbraw/zinc/48/53/19/503485319.db2.gz PQYAECMSWKMJQP-CABCVRRESA-N 1 1 353.422 3.355 20 5 FGBDMO NC(=O)c1ccc(C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000508617158 503530510 /nfs/dbraw/zinc/53/05/10/503530510.db2.gz YCILSCQOLZDYSF-HYXAFXHYSA-N 1 1 351.406 3.372 20 5 FGBDMO CCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CCN1CCCC1 ZINC000512428353 503547720 /nfs/dbraw/zinc/54/77/20/503547720.db2.gz SKIRGOWHIYPHSP-UHFFFAOYSA-N 1 1 362.474 3.040 20 5 FGBDMO CCCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC[NH+]1CCCC1 ZINC000512428353 503547723 /nfs/dbraw/zinc/54/77/23/503547723.db2.gz SKIRGOWHIYPHSP-UHFFFAOYSA-N 1 1 362.474 3.040 20 5 FGBDMO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(CCN2CCOCC2)CC1 ZINC000512434626 503550023 /nfs/dbraw/zinc/55/00/23/503550023.db2.gz ZLXOJMOBBHMGGK-HWKANZROSA-N 1 1 359.470 3.042 20 5 FGBDMO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)CO1 ZINC000500099696 503553809 /nfs/dbraw/zinc/55/38/09/503553809.db2.gz QCUOFVYFOBNESS-KXBFYZLASA-N 1 1 369.421 3.385 20 5 FGBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)CO1 ZINC000500099696 503553814 /nfs/dbraw/zinc/55/38/14/503553814.db2.gz QCUOFVYFOBNESS-KXBFYZLASA-N 1 1 369.421 3.385 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000512473950 503563850 /nfs/dbraw/zinc/56/38/50/503563850.db2.gz HFLYXORMXIHZLV-HOTGVXAUSA-N 1 1 363.458 3.247 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000494662290 503586777 /nfs/dbraw/zinc/58/67/77/503586777.db2.gz RTUCJZXGSXAMFJ-GOEBONIOSA-N 1 1 369.421 3.169 20 5 FGBDMO C[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000516828212 503594918 /nfs/dbraw/zinc/59/49/18/503594918.db2.gz IJBHWTWAXOGGOP-HZPDHXFCSA-N 1 1 355.438 3.335 20 5 FGBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000500425241 503621756 /nfs/dbraw/zinc/62/17/56/503621756.db2.gz NMWGTTIBZKXXFN-HUUCEWRRSA-N 1 1 368.437 3.033 20 5 FGBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000500425241 503621759 /nfs/dbraw/zinc/62/17/59/503621759.db2.gz NMWGTTIBZKXXFN-HUUCEWRRSA-N 1 1 368.437 3.033 20 5 FGBDMO COc1ccc(-c2ccc(CN3CC[C@@H]4CC[N@@H+](C)C[C@H]43)o2)c([N+](=O)[O-])c1 ZINC000495092556 503666203 /nfs/dbraw/zinc/66/62/03/503666203.db2.gz WZWGCGUGYRXQPE-IFXJQAMLSA-N 1 1 371.437 3.389 20 5 FGBDMO COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]4CCN(C)C[C@H]43)o2)c([N+](=O)[O-])c1 ZINC000495092556 503666207 /nfs/dbraw/zinc/66/62/07/503666207.db2.gz WZWGCGUGYRXQPE-IFXJQAMLSA-N 1 1 371.437 3.389 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+]3CC[C@@H]4CCN(C)C[C@H]43)o2)c([N+](=O)[O-])c1 ZINC000495092556 503666214 /nfs/dbraw/zinc/66/62/14/503666214.db2.gz WZWGCGUGYRXQPE-IFXJQAMLSA-N 1 1 371.437 3.389 20 5 FGBDMO COc1ccc2c(c1)CCC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000532950421 503670730 /nfs/dbraw/zinc/67/07/30/503670730.db2.gz GSAXWTFZABQRBJ-UHFFFAOYSA-N 1 1 369.421 3.015 20 5 FGBDMO COc1ccc2c(c1)CCC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000532950421 503670733 /nfs/dbraw/zinc/67/07/33/503670733.db2.gz GSAXWTFZABQRBJ-UHFFFAOYSA-N 1 1 369.421 3.015 20 5 FGBDMO CCCCOc1ccc([C@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)cc1OC ZINC000537070177 503793122 /nfs/dbraw/zinc/79/31/22/503793122.db2.gz SSRBPVQDVAUXNZ-ZDUSSCGKSA-N 1 1 362.430 3.367 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000533296030 503797102 /nfs/dbraw/zinc/79/71/02/503797102.db2.gz SFJYMOSHZAUGRN-RDJZCZTQSA-N 1 1 353.422 3.486 20 5 FGBDMO CN(C(=O)C[N@H+](CCc1ccc(F)cc1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000533298969 503797245 /nfs/dbraw/zinc/79/72/45/503797245.db2.gz WRIDLCCQJVBCFL-UHFFFAOYSA-N 1 1 371.412 3.404 20 5 FGBDMO CN(C(=O)C[N@@H+](CCc1ccc(F)cc1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000533298969 503797253 /nfs/dbraw/zinc/79/72/53/503797253.db2.gz WRIDLCCQJVBCFL-UHFFFAOYSA-N 1 1 371.412 3.404 20 5 FGBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000543646612 503839449 /nfs/dbraw/zinc/83/94/49/503839449.db2.gz RARPACXHWDVLJV-CYBMUJFWSA-N 1 1 352.410 3.368 20 5 FGBDMO C[N@@H+](CCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000543799363 503897812 /nfs/dbraw/zinc/89/78/12/503897812.db2.gz SMIMCLWIHHHHHE-UHFFFAOYSA-N 1 1 371.384 3.191 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000541053324 503987223 /nfs/dbraw/zinc/98/72/23/503987223.db2.gz DOUFPCWSITYWLA-AWEZNQCLSA-N 1 1 351.200 3.181 20 5 FGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H]2Cn2cnc3ccccc32)cc1 ZINC000537680876 504003554 /nfs/dbraw/zinc/00/35/54/504003554.db2.gz QBTNHNVAIFWMKP-KRWDZBQOSA-N 1 1 366.421 3.488 20 5 FGBDMO C[C@H]1CCC[C@@H](C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 ZINC000537807514 504048243 /nfs/dbraw/zinc/04/82/43/504048243.db2.gz DBSKQHLTPONWDJ-UONOGXRCSA-N 1 1 351.472 3.240 20 5 FGBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCc3c(cnn3-c3ccccc3)C2)cc1 ZINC000530737240 504069263 /nfs/dbraw/zinc/06/92/63/504069263.db2.gz AYGWPJGUQSHDKD-UHFFFAOYSA-N 1 1 364.405 3.218 20 5 FGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCc3c(cnn3-c3ccccc3)C2)cc1 ZINC000530737240 504069271 /nfs/dbraw/zinc/06/92/71/504069271.db2.gz AYGWPJGUQSHDKD-UHFFFAOYSA-N 1 1 364.405 3.218 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534244820 504081720 /nfs/dbraw/zinc/08/17/20/504081720.db2.gz POCOWEVIVZIPOE-SMDDNHRTSA-N 1 1 367.812 3.226 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534244820 504081724 /nfs/dbraw/zinc/08/17/24/504081724.db2.gz POCOWEVIVZIPOE-SMDDNHRTSA-N 1 1 367.812 3.226 20 5 FGBDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534254211 504084864 /nfs/dbraw/zinc/08/48/64/504084864.db2.gz PORJLCQEXRIODE-UHFFFAOYSA-N 1 1 358.442 3.413 20 5 FGBDMO C[C@@H]([NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccccc1[N+](=O)[O-] ZINC000538277525 504185456 /nfs/dbraw/zinc/18/54/56/504185456.db2.gz UYLCXZOWDKDOLU-NEPJUHHUSA-N 1 1 359.348 3.046 20 5 FGBDMO C[C@H]1CN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC[N@H+]1CC(C)(C)O ZINC000547709030 504195539 /nfs/dbraw/zinc/19/55/39/504195539.db2.gz IZYDJGNRNRTSFA-AWEZNQCLSA-N 1 1 365.474 3.054 20 5 FGBDMO CCOc1cccc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3C)CC2)n1 ZINC000541773217 504249908 /nfs/dbraw/zinc/24/99/08/504249908.db2.gz SIOONXMPSMPRGL-UHFFFAOYSA-N 1 1 356.426 3.019 20 5 FGBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000541784443 504253886 /nfs/dbraw/zinc/25/38/86/504253886.db2.gz LZDKUVQILVUSRZ-CQSZACIVSA-N 1 1 352.410 3.366 20 5 FGBDMO COc1ccccc1[C@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000519578222 504260104 /nfs/dbraw/zinc/26/01/04/504260104.db2.gz HHNUVCFGZWBYDX-KSSFIOAISA-N 1 1 371.437 3.126 20 5 FGBDMO C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000534869840 504265530 /nfs/dbraw/zinc/26/55/30/504265530.db2.gz WPMPSCWEAOZPLW-GFCCVEGCSA-N 1 1 369.343 3.468 20 5 FGBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000534982526 504302294 /nfs/dbraw/zinc/30/22/94/504302294.db2.gz GDBSTHXINABOFT-AWEZNQCLSA-N 1 1 358.442 3.318 20 5 FGBDMO COc1ccc(NC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000542030468 504342618 /nfs/dbraw/zinc/34/26/18/504342618.db2.gz BHZLJPXURUNRBW-CQSZACIVSA-N 1 1 372.425 3.245 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000519821823 504353731 /nfs/dbraw/zinc/35/37/31/504353731.db2.gz QRXVVBOCLNETJY-HXUWFJFHSA-N 1 1 353.422 3.298 20 5 FGBDMO Cc1ccc(C2CC[NH+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)cn1 ZINC000542132339 504374317 /nfs/dbraw/zinc/37/43/17/504374317.db2.gz XDSCZUPXXKDPTM-UHFFFAOYSA-N 1 1 368.437 3.425 20 5 FGBDMO CN1Cc2ccccc2[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000535266401 504388343 /nfs/dbraw/zinc/38/83/43/504388343.db2.gz RCOFXWLOMMPUKG-INIZCTEOSA-N 1 1 363.364 3.473 20 5 FGBDMO C[C@H](CNc1ccc2cc([N+](=O)[O-])ccc2n1)[N@H+]1CCc2ccccc2C1 ZINC000520031958 504401355 /nfs/dbraw/zinc/40/13/55/504401355.db2.gz USDDXUJGQUNHGB-OAHLLOKOSA-N 1 1 362.433 3.424 20 5 FGBDMO C[C@@H](CNc1ccc2cc([N+](=O)[O-])ccc2n1)[N@H+]1CCc2ccccc2C1 ZINC000520031957 504401391 /nfs/dbraw/zinc/40/13/91/504401391.db2.gz USDDXUJGQUNHGB-HNNXBMFYSA-N 1 1 362.433 3.424 20 5 FGBDMO CCc1cc(NC[C@@H]2CC[N@H+](C(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000520064586 504405903 /nfs/dbraw/zinc/40/59/03/504405903.db2.gz QLMDOWFBAILAQY-HNNXBMFYSA-N 1 1 369.469 3.178 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@]2(C)CO)cc1OC ZINC000545397662 504472868 /nfs/dbraw/zinc/47/28/68/504472868.db2.gz RZALWDPALIVQEQ-IFXJQAMLSA-N 1 1 366.458 3.375 20 5 FGBDMO C[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccccc1[N+](=O)[O-] ZINC000539363291 504542251 /nfs/dbraw/zinc/54/22/51/504542251.db2.gz JWKSWCRASDZGOH-WBVHZDCISA-N 1 1 368.437 3.079 20 5 FGBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000542652736 504564594 /nfs/dbraw/zinc/56/45/94/504564594.db2.gz ZDTWGZHDPCUONY-GOEBONIOSA-N 1 1 365.449 3.464 20 5 FGBDMO COc1ccc(-c2ccc(CN[C@@H]3C[N@@H+](C4CC4)C[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000532321894 504610463 /nfs/dbraw/zinc/61/04/63/504610463.db2.gz VARRLEXYQOWKDY-FZKQIMNGSA-N 1 1 371.437 3.436 20 5 FGBDMO COc1ccc(-c2ccc(CN[C@@H]3C[N@H+](C4CC4)C[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000532321894 504610469 /nfs/dbraw/zinc/61/04/69/504610469.db2.gz VARRLEXYQOWKDY-FZKQIMNGSA-N 1 1 371.437 3.436 20 5 FGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000548934318 504627105 /nfs/dbraw/zinc/62/71/05/504627105.db2.gz ZHBOTOPOIAZEGG-LJQANCHMSA-N 1 1 353.422 3.089 20 5 FGBDMO CCOCCC[N@H+]1CC[C@H](Nc2nc(C)cc(C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000542863516 504639476 /nfs/dbraw/zinc/63/94/76/504639476.db2.gz SLBWZGDGENHDFO-ZBFHGGJFSA-N 1 1 350.463 3.156 20 5 FGBDMO CC[N@@H+](CCc1cccs1)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000532513457 504677457 /nfs/dbraw/zinc/67/74/57/504677457.db2.gz HLPMMDCXRNBHPR-UHFFFAOYSA-N 1 1 363.439 3.168 20 5 FGBDMO COc1ccccc1[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000532572252 504695776 /nfs/dbraw/zinc/69/57/76/504695776.db2.gz ICSQLRMEJXLVSL-LSDHHAIUSA-N 1 1 369.421 3.420 20 5 FGBDMO COc1ccccc1[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000532572252 504695782 /nfs/dbraw/zinc/69/57/82/504695782.db2.gz ICSQLRMEJXLVSL-LSDHHAIUSA-N 1 1 369.421 3.420 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000532590479 504703643 /nfs/dbraw/zinc/70/36/43/504703643.db2.gz ZXZXVKPVCNAZAK-AWEZNQCLSA-N 1 1 358.442 3.174 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000549233610 504733900 /nfs/dbraw/zinc/73/39/00/504733900.db2.gz FDNVEHLOWIMQLH-HNNXBMFYSA-N 1 1 363.458 3.235 20 5 FGBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000521458684 504741070 /nfs/dbraw/zinc/74/10/70/504741070.db2.gz JJHHBAYXAIUTEQ-LJQANCHMSA-N 1 1 367.449 3.118 20 5 FGBDMO C[N@H+](Cc1cccc(Cl)c1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000532773187 504755269 /nfs/dbraw/zinc/75/52/69/504755269.db2.gz PFWOECFOTPFGQY-QGZVFWFLSA-N 1 1 359.813 3.486 20 5 FGBDMO C[N@@H+](Cc1cccc(Cl)c1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000532773187 504755272 /nfs/dbraw/zinc/75/52/72/504755272.db2.gz PFWOECFOTPFGQY-QGZVFWFLSA-N 1 1 359.813 3.486 20 5 FGBDMO C[C@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000565090104 504791394 /nfs/dbraw/zinc/79/13/94/504791394.db2.gz ZNERROOWXZBNAG-INIZCTEOSA-N 1 1 370.453 3.074 20 5 FGBDMO CN(Cc1ccccc1[N+](=O)[O-])C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000556495817 504889391 /nfs/dbraw/zinc/88/93/91/504889391.db2.gz WHDOLUJKWOJFBA-FQEVSTJZSA-N 1 1 369.465 3.318 20 5 FGBDMO O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000549920945 504934632 /nfs/dbraw/zinc/93/46/32/504934632.db2.gz BFJVOCSXDRLLNT-OAHLLOKOSA-N 1 1 352.394 3.315 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCC(O[C@H]4CCOC4)CC3)co2)cc1 ZINC000559987831 504964494 /nfs/dbraw/zinc/96/44/94/504964494.db2.gz SZUZJNJGKJHSEN-SFHVURJKSA-N 1 1 373.409 3.020 20 5 FGBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000562913787 504984988 /nfs/dbraw/zinc/98/49/88/504984988.db2.gz KCUPPUPYOICRGL-GFCCVEGCSA-N 1 1 356.854 3.168 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]CCCc1nccs1)c1ccc([N+](=O)[O-])cc1 ZINC000556887252 505007218 /nfs/dbraw/zinc/00/72/18/505007218.db2.gz RRIQBBYWAQEVQN-INIZCTEOSA-N 1 1 357.439 3.097 20 5 FGBDMO C[C@H](C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000565867332 505010561 /nfs/dbraw/zinc/01/05/61/505010561.db2.gz BDFCXMYAVLMEFZ-YQQAZPJKSA-N 1 1 359.470 3.468 20 5 FGBDMO CC1(C)C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1c1cccs1 ZINC000554310838 505142567 /nfs/dbraw/zinc/14/25/67/505142567.db2.gz SOAYQINGRYFYLX-RHSMWYFYSA-N 1 1 362.451 3.479 20 5 FGBDMO Cc1ccnc([C@H]2CC[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)c1 ZINC000563726461 505222569 /nfs/dbraw/zinc/22/25/69/505222569.db2.gz OJLSKHYMEZYDOY-INIZCTEOSA-N 1 1 368.437 3.425 20 5 FGBDMO CC(C)[N@H+](Cc1cccc(F)c1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000563771597 505233048 /nfs/dbraw/zinc/23/30/48/505233048.db2.gz WXPIIYNWPGBEKV-QGZVFWFLSA-N 1 1 362.401 3.384 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1ccc(CNc2c[nH+]ccc2-n2ccnn2)o1 ZINC000554727207 505250059 /nfs/dbraw/zinc/25/00/59/505250059.db2.gz YEHWXONTDSZLCO-UHFFFAOYSA-N 1 1 362.349 3.443 20 5 FGBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000564063521 505316080 /nfs/dbraw/zinc/31/60/80/505316080.db2.gz DUSIFTBFZBPHIO-CQSZACIVSA-N 1 1 351.410 3.470 20 5 FGBDMO C[C@@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@H]1C ZINC000552225745 505433321 /nfs/dbraw/zinc/43/33/21/505433321.db2.gz LRKNJVVZVKNKSW-GJYPPUQNSA-N 1 1 371.485 3.270 20 5 FGBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000567539861 505493201 /nfs/dbraw/zinc/49/32/01/505493201.db2.gz UKNVBFASRRDDBQ-HNNXBMFYSA-N 1 1 357.458 3.220 20 5 FGBDMO Cc1c(CC(=O)NCC[N@@H+]2CC=C(C(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000552459718 505497482 /nfs/dbraw/zinc/49/74/82/505497482.db2.gz HWCQWQCOVXUQHH-UHFFFAOYSA-N 1 1 359.470 3.240 20 5 FGBDMO C[C@@H](C1CC1)[N@@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000555808359 505519355 /nfs/dbraw/zinc/51/93/55/505519355.db2.gz LQKOINMPRQHZGT-NSHDSACASA-N 1 1 360.439 3.387 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@H](c4ccncc4)C3)n2)c1 ZINC000555879001 505531372 /nfs/dbraw/zinc/53/13/72/505531372.db2.gz TYPVXEYPZSOTAM-HNNXBMFYSA-N 1 1 351.366 3.029 20 5 FGBDMO C[C@@H]1c2ccc(F)cc2CC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612079650 506424467 /nfs/dbraw/zinc/42/44/67/506424467.db2.gz WXALKMUPAIHZOI-CJNGLKHVSA-N 1 1 360.385 3.093 20 5 FGBDMO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612079650 506424474 /nfs/dbraw/zinc/42/44/74/506424474.db2.gz WXALKMUPAIHZOI-CJNGLKHVSA-N 1 1 360.385 3.093 20 5 FGBDMO O=c1[nH]cnc2cc(N[C@H]3CC[N@H+](C4CCCCC4)C3)c([N+](=O)[O-])cc21 ZINC000596480082 506427185 /nfs/dbraw/zinc/42/71/85/506427185.db2.gz VLWJVVMEGCDSGW-LBPRGKRZSA-N 1 1 357.414 3.063 20 5 FGBDMO O=[N+]([O-])c1cc2c(ncnc2NC[C@@H]2CC[N@H+]2Cc2ccccc2)s1 ZINC000596558679 506459954 /nfs/dbraw/zinc/45/99/54/506459954.db2.gz TUERDIBDAQNKIN-ZDUSSCGKSA-N 1 1 355.423 3.286 20 5 FGBDMO O=C1CCc2cc([N+](=O)[O-])c(NC[C@H]3CC[N@H+]3Cc3ccccc3)cc2N1 ZINC000596558962 506460046 /nfs/dbraw/zinc/46/00/46/506460046.db2.gz VSOFHXLJKGHRTC-MRXNPFEDSA-N 1 1 366.421 3.166 20 5 FGBDMO CC(C)[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H](O)C(F)(F)F ZINC000589162678 506463621 /nfs/dbraw/zinc/46/36/21/506463621.db2.gz SQMOCKBUIHLBSJ-KBPBESRZSA-N 1 1 373.331 3.287 20 5 FGBDMO CC(C)C[N@@H+](C)CCCNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000593207575 506465463 /nfs/dbraw/zinc/46/54/63/506465463.db2.gz IPOXCJYYWRSPCY-CQSZACIVSA-N 1 1 353.488 3.170 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000589195968 506479037 /nfs/dbraw/zinc/47/90/37/506479037.db2.gz QSSGSIGEIMIGHU-ZDJZVTAXSA-N 1 1 372.513 3.098 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000589195968 506479040 /nfs/dbraw/zinc/47/90/40/506479040.db2.gz QSSGSIGEIMIGHU-ZDJZVTAXSA-N 1 1 372.513 3.098 20 5 FGBDMO C[C@H]1C[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](C)C1(F)F ZINC000599514632 506482413 /nfs/dbraw/zinc/48/24/13/506482413.db2.gz YPRQMZFQICDDNW-QWRGUYRKSA-N 1 1 352.341 3.368 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000582988687 506525248 /nfs/dbraw/zinc/52/52/48/506525248.db2.gz MOKPDZHUSVZGQH-FQEVSTJZSA-N 1 1 374.412 3.170 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CCC([C@@H]3CCOC3)CC2)c1 ZINC000612402118 506564888 /nfs/dbraw/zinc/56/48/88/506564888.db2.gz LSMOYLKDQBAXBH-CYBMUJFWSA-N 1 1 356.369 3.445 20 5 FGBDMO Cc1c(NC(=O)CC[N@@H+]2CCOc3cc(F)ccc3C2)cccc1[N+](=O)[O-] ZINC000599685990 506580680 /nfs/dbraw/zinc/58/06/80/506580680.db2.gz CHBLMVFAESYROV-UHFFFAOYSA-N 1 1 373.384 3.266 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CCOc3cc(F)ccc3C2)cccc1[N+](=O)[O-] ZINC000599685990 506580689 /nfs/dbraw/zinc/58/06/89/506580689.db2.gz CHBLMVFAESYROV-UHFFFAOYSA-N 1 1 373.384 3.266 20 5 FGBDMO Cc1noc(C)c1[C@@H](C)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000612461642 506587035 /nfs/dbraw/zinc/58/70/35/506587035.db2.gz LWWYUJJMIQJZMI-MRVPVSSYSA-N 1 1 352.778 3.142 20 5 FGBDMO CN(C)c1cc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)cc[nH+]1 ZINC000612550741 506620932 /nfs/dbraw/zinc/62/09/32/506620932.db2.gz MNXUYPWJEXMKLG-UHFFFAOYSA-N 1 1 354.288 3.327 20 5 FGBDMO COc1cccc(C[C@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000603909260 506655687 /nfs/dbraw/zinc/65/56/87/506655687.db2.gz PAOARJVVAQCXBM-MRXNPFEDSA-N 1 1 369.421 3.249 20 5 FGBDMO COc1cccc(C[C@H]2CCC[N@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000603909260 506655691 /nfs/dbraw/zinc/65/56/91/506655691.db2.gz PAOARJVVAQCXBM-MRXNPFEDSA-N 1 1 369.421 3.249 20 5 FGBDMO COc1ccc(C)cc1C[NH+]1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000603933592 506664107 /nfs/dbraw/zinc/66/41/07/506664107.db2.gz XAFFLWCCXUOVJU-UHFFFAOYSA-N 1 1 361.467 3.291 20 5 FGBDMO C[C@@H](NC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000604130507 506724416 /nfs/dbraw/zinc/72/44/16/506724416.db2.gz NEPSHRBECDFQHP-HZPDHXFCSA-N 1 1 362.474 3.467 20 5 FGBDMO O=C(c1csc([N+](=O)[O-])c1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000604187890 506742258 /nfs/dbraw/zinc/74/22/58/506742258.db2.gz MKKGXQOMMCSPDN-UHFFFAOYSA-N 1 1 351.472 3.385 20 5 FGBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597103960 506776622 /nfs/dbraw/zinc/77/66/22/506776622.db2.gz NTQQRPNOKKMDIK-LBPRGKRZSA-N 1 1 369.853 3.169 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000609189953 506806748 /nfs/dbraw/zinc/80/67/48/506806748.db2.gz HIFOHNFNWIDSJU-ZDUSSCGKSA-N 1 1 351.472 3.066 20 5 FGBDMO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1(CO)CCOCC1 ZINC000597251518 506860086 /nfs/dbraw/zinc/86/00/86/506860086.db2.gz KPDDXCKFJSIMDV-UHFFFAOYSA-N 1 1 362.451 3.297 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000590602826 506875165 /nfs/dbraw/zinc/87/51/65/506875165.db2.gz YMIRIDRWCHKLOQ-HUUCEWRRSA-N 1 1 354.410 3.196 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000590602826 506875167 /nfs/dbraw/zinc/87/51/67/506875167.db2.gz YMIRIDRWCHKLOQ-HUUCEWRRSA-N 1 1 354.410 3.196 20 5 FGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000590600753 506875177 /nfs/dbraw/zinc/87/51/77/506875177.db2.gz MHRNBAOGIGAUJM-LSDHHAIUSA-N 1 1 354.410 3.196 20 5 FGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000590600753 506875180 /nfs/dbraw/zinc/87/51/80/506875180.db2.gz MHRNBAOGIGAUJM-LSDHHAIUSA-N 1 1 354.410 3.196 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@]3(CCSC3)C1)OCCO2 ZINC000590662525 506899168 /nfs/dbraw/zinc/89/91/68/506899168.db2.gz DTYBPTAGMJXBFF-KRWDZBQOSA-N 1 1 350.440 3.085 20 5 FGBDMO CN1CCC([N@H+]2CC[C@H](Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)CC1 ZINC000609574950 506927962 /nfs/dbraw/zinc/92/79/62/506927962.db2.gz AKAJPTQHODNCCY-ZDUSSCGKSA-N 1 1 372.391 3.194 20 5 FGBDMO C[NH+]1CCC(N2CC[C@H](Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)CC1 ZINC000609574950 506927970 /nfs/dbraw/zinc/92/79/70/506927970.db2.gz AKAJPTQHODNCCY-ZDUSSCGKSA-N 1 1 372.391 3.194 20 5 FGBDMO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C[C@@H]1C ZINC000613182050 506956734 /nfs/dbraw/zinc/95/67/34/506956734.db2.gz IHWWNRLXNOHAOU-HNNXBMFYSA-N 1 1 356.426 3.099 20 5 FGBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000600469879 506962833 /nfs/dbraw/zinc/96/28/33/506962833.db2.gz LZOCYYJPGZEPMZ-ZDUSSCGKSA-N 1 1 371.359 3.360 20 5 FGBDMO Cc1ccc([C@H]2CCC[N@@H+]2[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)o1 ZINC000609706029 506979183 /nfs/dbraw/zinc/97/91/83/506979183.db2.gz MJRDVMOLLXJDBT-SJORKVTESA-N 1 1 355.394 3.439 20 5 FGBDMO Cc1ccc([C@H]2CCC[N@H+]2[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)o1 ZINC000609706029 506979192 /nfs/dbraw/zinc/97/91/92/506979192.db2.gz MJRDVMOLLXJDBT-SJORKVTESA-N 1 1 355.394 3.439 20 5 FGBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000594195285 506998999 /nfs/dbraw/zinc/99/89/99/506998999.db2.gz DPHADWAZXNMVFW-HUUCEWRRSA-N 1 1 371.359 3.360 20 5 FGBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000594195713 506999012 /nfs/dbraw/zinc/99/90/12/506999012.db2.gz HQUFSSOVHRMTRI-HUUCEWRRSA-N 1 1 371.359 3.360 20 5 FGBDMO Cc1ccc(C[C@H](C)[N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000610003493 507068218 /nfs/dbraw/zinc/06/82/18/507068218.db2.gz BDGYCGVNHLWBTN-QFBILLFUSA-N 1 1 358.438 3.206 20 5 FGBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000597710887 507069757 /nfs/dbraw/zinc/06/97/57/507069757.db2.gz PTUCAZQVTYXZFX-PXNSSMCTSA-N 1 1 359.470 3.108 20 5 FGBDMO C[C@H](C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000597860216 507137268 /nfs/dbraw/zinc/13/72/68/507137268.db2.gz LYYZBYKYNFXXKX-STQMWFEESA-N 1 1 351.422 3.074 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000597859104 507137300 /nfs/dbraw/zinc/13/73/00/507137300.db2.gz SBBZPPKMIPXJIN-GFCCVEGCSA-N 1 1 371.890 3.329 20 5 FGBDMO NC(=O)c1cccc([N+](=O)[O-])c1NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000591458921 507258687 /nfs/dbraw/zinc/25/86/87/507258687.db2.gz IYIUDNGOWBONGE-MRXNPFEDSA-N 1 1 368.437 3.018 20 5 FGBDMO CC1(C)C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000610505207 507269255 /nfs/dbraw/zinc/26/92/55/507269255.db2.gz CHQRSXSMBHGFQM-HKUYNNGSSA-N 1 1 356.422 3.418 20 5 FGBDMO O=C1CCCCN1C1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601130226 507271155 /nfs/dbraw/zinc/27/11/55/507271155.db2.gz GZZWYXGXGJBQTR-UHFFFAOYSA-N 1 1 354.410 3.124 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@H](C(F)(F)F)[C@H](CO)C3)c2c1 ZINC000601164900 507283856 /nfs/dbraw/zinc/28/38/56/507283856.db2.gz HZYXMNXESDITGJ-GWCFXTLKSA-N 1 1 355.316 3.140 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@@H]3CCO[C@H](c4ccncc4)C3)c2c1 ZINC000601170499 507286311 /nfs/dbraw/zinc/28/63/11/507286311.db2.gz CBIGCNNWUGBDKW-KUHUBIRLSA-N 1 1 350.378 3.292 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCN(c2ccccc2)C1=O ZINC000595013165 507353836 /nfs/dbraw/zinc/35/38/36/507353836.db2.gz FTWVCZDQTDOCAA-SUMWQHHRSA-N 1 1 355.394 3.060 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000595018997 507357340 /nfs/dbraw/zinc/35/73/40/507357340.db2.gz PDKANEUEURBENI-CQSZACIVSA-N 1 1 365.474 3.143 20 5 FGBDMO C[C@@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000601414752 507358577 /nfs/dbraw/zinc/35/85/77/507358577.db2.gz HCYMZMGEGXGQOB-GDBMZVCRSA-N 1 1 371.412 3.374 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000595035070 507362062 /nfs/dbraw/zinc/36/20/62/507362062.db2.gz UOKADQXDKWQWJD-CYBMUJFWSA-N 1 1 372.425 3.317 20 5 FGBDMO COc1cc(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000610717197 507362423 /nfs/dbraw/zinc/36/24/23/507362423.db2.gz AIRXAGRGKUGGSY-HNNXBMFYSA-N 1 1 359.401 3.453 20 5 FGBDMO CNC(=O)C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)c1ccccc1 ZINC000595053672 507369676 /nfs/dbraw/zinc/36/96/76/507369676.db2.gz LAPFVSUMOVBOOS-CXAGYDPISA-N 1 1 357.410 3.131 20 5 FGBDMO Cc1noc(C[NH+]2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)c1[N+](=O)[O-] ZINC000595365893 507472830 /nfs/dbraw/zinc/47/28/30/507472830.db2.gz OTDYJZOTYKJFNG-UHFFFAOYSA-N 1 1 368.397 3.056 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCc3nsc4ccccc34)C2)nc1 ZINC000595374824 507475626 /nfs/dbraw/zinc/47/56/26/507475626.db2.gz LTVQWCFOXMJTQW-CYBMUJFWSA-N 1 1 369.450 3.328 20 5 FGBDMO COC(=O)c1cc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])n2c1CCCC2 ZINC000598635113 507525268 /nfs/dbraw/zinc/52/52/68/507525268.db2.gz BBOGECNTIPEDSS-ZDUSSCGKSA-N 1 1 357.410 3.370 20 5 FGBDMO COC(=O)C[C@](C)([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccncc1 ZINC000595487549 507525502 /nfs/dbraw/zinc/52/55/02/507525502.db2.gz VEMDWAUJIHDLKO-KRWDZBQOSA-N 1 1 363.801 3.211 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H](C(F)F)C1CCCCC1 ZINC000598647359 507530406 /nfs/dbraw/zinc/53/04/06/507530406.db2.gz AIFNNNFDACWIBJ-BBRMVZONSA-N 1 1 358.385 3.138 20 5 FGBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@H](C)OC3(CCCC3)C2)cccc1[N+](=O)[O-] ZINC000592193290 507534359 /nfs/dbraw/zinc/53/43/59/507534359.db2.gz LRWMRFGQWHIRTJ-AWEZNQCLSA-N 1 1 361.442 3.265 20 5 FGBDMO C[C@H](CO)[C@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000595672394 507620669 /nfs/dbraw/zinc/62/06/69/507620669.db2.gz ITSBPWBQBFAROO-BXUZGUMPSA-N 1 1 357.248 3.340 20 5 FGBDMO C[C@H](CO)[C@H]1CCCC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000595672394 507620677 /nfs/dbraw/zinc/62/06/77/507620677.db2.gz ITSBPWBQBFAROO-BXUZGUMPSA-N 1 1 357.248 3.340 20 5 FGBDMO O=C(CC[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000611350551 507636254 /nfs/dbraw/zinc/63/62/54/507636254.db2.gz QEVIUAZWHHZKGK-JKSUJKDBSA-N 1 1 361.442 3.062 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000595741794 507659526 /nfs/dbraw/zinc/65/95/26/507659526.db2.gz ZJQFWUYOCTVCFA-XHSDSOJGSA-N 1 1 362.426 3.027 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000595788441 507685863 /nfs/dbraw/zinc/68/58/63/507685863.db2.gz OCVUJFIQHLHBDG-KDOFPFPSSA-N 1 1 361.442 3.203 20 5 FGBDMO O=C(C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)NC1CCCC1 ZINC000611520853 507719794 /nfs/dbraw/zinc/71/97/94/507719794.db2.gz DHKOPOUMFATPOO-HXUWFJFHSA-N 1 1 353.422 3.333 20 5 FGBDMO C[C@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000611560750 507739791 /nfs/dbraw/zinc/73/97/91/507739791.db2.gz MXPHGDMTDVWLTQ-KDOFPFPSSA-N 1 1 351.410 3.206 20 5 FGBDMO Cc1ccc(NCCCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[nH+]c1 ZINC000531013738 562431795 /nfs/dbraw/zinc/43/17/95/562431795.db2.gz RKIZJPTXHDUAIX-UHFFFAOYSA-N 1 1 353.382 3.012 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000822271151 607058118 /nfs/dbraw/zinc/05/81/18/607058118.db2.gz OHTIDUMBYRZNJA-LLVKDONJSA-N 1 1 356.361 3.073 20 5 FGBDMO C[N@H+]1CCC[C@@H]2CN(Cc3ccc(Br)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000123024392 700699110 /nfs/dbraw/zinc/69/91/10/700699110.db2.gz YMUHJLVNSLVQHA-HIFRSBDPSA-N 1 1 368.275 3.273 20 5 FGBDMO COCC[N@@H+](C)CCCC1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000162578434 705299100 /nfs/dbraw/zinc/29/91/00/705299100.db2.gz HZCWMXHIMOMZKS-UHFFFAOYSA-N 1 1 353.438 3.309 20 5 FGBDMO Cc1cc(F)cc(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000176760028 705589700 /nfs/dbraw/zinc/58/97/00/705589700.db2.gz WFNWDNDCMLEDRX-CQSZACIVSA-N 1 1 351.422 3.427 20 5 FGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+](Cc2cccs2)C[C@H]2CCCO2)c1 ZINC000246337790 713621925 /nfs/dbraw/zinc/62/19/25/713621925.db2.gz UEWYPELNQYFEGC-SJLPKXTDSA-N 1 1 362.451 3.371 20 5 FGBDMO O=C(Nc1nccs1)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000374876751 713950145 /nfs/dbraw/zinc/95/01/45/713950145.db2.gz KQHUYRSLAIUDPF-LBPRGKRZSA-N 1 1 364.402 3.041 20 5 FGBDMO O=C(Nc1nccs1)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000374876751 713950147 /nfs/dbraw/zinc/95/01/47/713950147.db2.gz KQHUYRSLAIUDPF-LBPRGKRZSA-N 1 1 364.402 3.041 20 5 FGBDMO Cc1ccc(NCc2c[nH+]c(N(C)C)n2C)c([N+](=O)[O-])c1Br ZINC000804453375 724519169 /nfs/dbraw/zinc/51/91/69/724519169.db2.gz XCZFJYLSZOLXRE-UHFFFAOYSA-N 1 1 368.235 3.077 20 5 FGBDMO O=[N+]([O-])c1cc2cnn(C[NH+]3CCC([C@@H]4CCOC4)CC3)c2c(Cl)c1 ZINC000784005239 724812009 /nfs/dbraw/zinc/81/20/09/724812009.db2.gz JHHOAMXOHUGXPE-CYBMUJFWSA-N 1 1 364.833 3.304 20 5 FGBDMO O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1Cl ZINC000715599204 722416071 /nfs/dbraw/zinc/41/60/71/722416071.db2.gz TWBXOSRGIABKNN-CQSZACIVSA-N 1 1 359.813 3.253 20 5 FGBDMO O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1Cl ZINC000715599204 722416072 /nfs/dbraw/zinc/41/60/72/722416072.db2.gz TWBXOSRGIABKNN-CQSZACIVSA-N 1 1 359.813 3.253 20 5 FGBDMO O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000715598196 722416084 /nfs/dbraw/zinc/41/60/84/722416084.db2.gz QLDVLROJBWEYNL-OAHLLOKOSA-N 1 1 359.813 3.253 20 5 FGBDMO O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000715598196 722416086 /nfs/dbraw/zinc/41/60/86/722416086.db2.gz QLDVLROJBWEYNL-OAHLLOKOSA-N 1 1 359.813 3.253 20 5 FGBDMO CCN(CC)C(=O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000726607161 722436397 /nfs/dbraw/zinc/43/63/97/722436397.db2.gz REMLGKYAEOUOHR-UHFFFAOYSA-N 1 1 365.817 3.466 20 5 FGBDMO O=C(C[N@@H+]1CCCC2(CCOCC2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000741802160 722549256 /nfs/dbraw/zinc/54/92/56/722549256.db2.gz IUNUKMCWHHHXAB-UHFFFAOYSA-N 1 1 367.833 3.079 20 5 FGBDMO O=C(C[N@H+]1CCCC2(CCOCC2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000741802160 722549257 /nfs/dbraw/zinc/54/92/57/722549257.db2.gz IUNUKMCWHHHXAB-UHFFFAOYSA-N 1 1 367.833 3.079 20 5 FGBDMO CN(C)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2Br)cc[nH+]1 ZINC000758907665 722996639 /nfs/dbraw/zinc/99/66/39/722996639.db2.gz IFEZERSQOCCBCA-UHFFFAOYSA-N 1 1 365.187 3.071 20 5 FGBDMO C[C@@H](CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000790539707 723151080 /nfs/dbraw/zinc/15/10/80/723151080.db2.gz SJCNEBFWIUAGHC-NEPJUHHUSA-N 1 1 371.840 3.309 20 5 FGBDMO CCC[C@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[N@H+]1CCOC ZINC000761513552 723161508 /nfs/dbraw/zinc/16/15/08/723161508.db2.gz AAAUFDXUTIILGR-HNNXBMFYSA-N 1 1 355.866 3.181 20 5 FGBDMO CC(C)[C@@H](C)[N@@H+](C)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795406964 723588577 /nfs/dbraw/zinc/58/85/77/723588577.db2.gz SQFFZECBCHBGAS-SNVBAGLBSA-N 1 1 370.247 3.247 20 5 FGBDMO Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000796271257 723629469 /nfs/dbraw/zinc/62/94/69/723629469.db2.gz MIPMVVUMMIGWNS-UHFFFAOYSA-N 1 1 357.801 3.427 20 5 FGBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776275075 724127265 /nfs/dbraw/zinc/12/72/65/724127265.db2.gz JAFBRJRFVWSNDB-INIZCTEOSA-N 1 1 365.773 3.322 20 5 FGBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776275075 724127268 /nfs/dbraw/zinc/12/72/68/724127268.db2.gz JAFBRJRFVWSNDB-INIZCTEOSA-N 1 1 365.773 3.322 20 5 FGBDMO C[N@@H+](CCNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000778241996 724314600 /nfs/dbraw/zinc/31/46/00/724314600.db2.gz ABGPAYJQQHEHFP-UHFFFAOYSA-N 1 1 355.385 3.067 20 5 FGBDMO Cc1[nH+]ccn1CCCCOC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778844608 724367858 /nfs/dbraw/zinc/36/78/58/724367858.db2.gz XLQAMGCLHVEDDG-UHFFFAOYSA-N 1 1 353.325 3.215 20 5 FGBDMO C[C@@H](CO)[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C1CCCC1 ZINC000805751942 725091324 /nfs/dbraw/zinc/09/13/24/725091324.db2.gz TWLNMKGPPASFCQ-NSHDSACASA-N 1 1 357.248 3.483 20 5 FGBDMO C[C@H](CO)[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C1CCCC1 ZINC000805751941 725091417 /nfs/dbraw/zinc/09/14/17/725091417.db2.gz TWLNMKGPPASFCQ-LLVKDONJSA-N 1 1 357.248 3.483 20 5 FGBDMO CC1(C)CC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CCS1 ZINC000789340228 725123001 /nfs/dbraw/zinc/12/30/01/725123001.db2.gz LSWLNNZJXINUQG-UHFFFAOYSA-N 1 1 357.863 3.404 20 5 FGBDMO CC1(C)CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CCS1 ZINC000789340228 725123002 /nfs/dbraw/zinc/12/30/02/725123002.db2.gz LSWLNNZJXINUQG-UHFFFAOYSA-N 1 1 357.863 3.404 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000810665935 725321417 /nfs/dbraw/zinc/32/14/17/725321417.db2.gz GNGNLXOLIORQLU-KRWDZBQOSA-N 1 1 371.840 3.119 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000812326948 725394234 /nfs/dbraw/zinc/39/42/34/725394234.db2.gz XQDGPSOPFMSCTE-UONOGXRCSA-N 1 1 363.483 3.119 20 5 FGBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@H]1C ZINC000813116683 726840623 /nfs/dbraw/zinc/84/06/23/726840623.db2.gz LZEKLVQHILDDEH-NXEZZACHSA-N 1 1 360.241 3.456 20 5 FGBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@H]1C ZINC000813116683 726840626 /nfs/dbraw/zinc/84/06/26/726840626.db2.gz LZEKLVQHILDDEH-NXEZZACHSA-N 1 1 360.241 3.456 20 5 FGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCn2ncc(Br)c2C1 ZINC000827445541 729430219 /nfs/dbraw/zinc/43/02/19/729430219.db2.gz AZWUJTZQTMRKIN-HWKANZROSA-N 1 1 363.215 3.083 20 5 FGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCn2ncc(Br)c2C1 ZINC000827445541 729430220 /nfs/dbraw/zinc/43/02/20/729430220.db2.gz AZWUJTZQTMRKIN-HWKANZROSA-N 1 1 363.215 3.083 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)cc1F ZINC000832054268 729685854 /nfs/dbraw/zinc/68/58/54/729685854.db2.gz HTYHURMZZKDMTA-ZBFHGGJFSA-N 1 1 350.390 3.242 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CCSC[C@@H]2C2CCC2)o1 ZINC000878719084 736910791 /nfs/dbraw/zinc/91/07/91/736910791.db2.gz PSJJHDNKERBHPY-OAHLLOKOSA-N 1 1 360.439 3.362 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CCSC[C@@H]2C2CCC2)o1 ZINC000878719084 736910792 /nfs/dbraw/zinc/91/07/92/736910792.db2.gz PSJJHDNKERBHPY-OAHLLOKOSA-N 1 1 360.439 3.362 20 5 FGBDMO C[N@H+]1CC[C@]2(C1)CCCN(Cc1ccc(Br)c([N+](=O)[O-])c1)C2 ZINC000852105753 731544207 /nfs/dbraw/zinc/54/42/07/731544207.db2.gz MSHBXCJCZACOGT-INIZCTEOSA-N 1 1 368.275 3.275 20 5 FGBDMO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000855810410 731958393 /nfs/dbraw/zinc/95/83/93/731958393.db2.gz YKOSUEWNEZYVMQ-ZDUSSCGKSA-N 1 1 351.834 3.385 20 5 FGBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCC1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000860583999 732537760 /nfs/dbraw/zinc/53/77/60/732537760.db2.gz BZMASTCORCJQIE-CYBMUJFWSA-N 1 1 352.822 3.387 20 5 FGBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCC1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000861069849 732618815 /nfs/dbraw/zinc/61/88/15/732618815.db2.gz XZAZYXUVYVCYNT-GFCCVEGCSA-N 1 1 352.822 3.387 20 5 FGBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)c1cc(F)c([N+](=O)[O-])cc1F ZINC000862630595 732858298 /nfs/dbraw/zinc/85/82/98/732858298.db2.gz ZZGQJFARLPOSTE-LBPRGKRZSA-N 1 1 353.369 3.010 20 5 FGBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000862631239 732859104 /nfs/dbraw/zinc/85/91/04/732859104.db2.gz MKCHBWKFMXNUNX-CQSZACIVSA-N 1 1 351.834 3.385 20 5 FGBDMO C[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872025050 735577943 /nfs/dbraw/zinc/57/79/43/735577943.db2.gz GOSOIHVSKRMIST-LBPRGKRZSA-N 1 1 366.414 3.129 20 5 FGBDMO COC1CCN(C(C)(C)C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872036654 735580147 /nfs/dbraw/zinc/58/01/47/735580147.db2.gz UODZLUNAXYXJCK-ZDUSSCGKSA-N 1 1 353.438 3.274 20 5 FGBDMO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H](c3nccs3)c3ccccc3)C2)c1 ZINC000876993754 736172713 /nfs/dbraw/zinc/17/27/13/736172713.db2.gz OYESHUZBAHWYOY-XUJLQICISA-N 1 1 355.423 3.331 20 5 FGBDMO CCOC1CC[NH+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 ZINC000877988432 736754040 /nfs/dbraw/zinc/75/40/40/736754040.db2.gz HNRSWAQQYKROHN-UHFFFAOYSA-N 1 1 366.805 3.299 20 5 FGBDMO C[C@]1(C(F)(F)F)CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000880000497 737095300 /nfs/dbraw/zinc/09/53/00/737095300.db2.gz MFMQWFUTSMQBPJ-AWEZNQCLSA-N 1 1 356.304 3.419 20 5 FGBDMO C[C@]1(C(F)(F)F)CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000880000497 737095308 /nfs/dbraw/zinc/09/53/08/737095308.db2.gz MFMQWFUTSMQBPJ-AWEZNQCLSA-N 1 1 356.304 3.419 20 5 FGBDMO Cc1csc([C@@H]2CC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000880008124 737098131 /nfs/dbraw/zinc/09/81/31/737098131.db2.gz QJPBRDHAWJLOBK-CYBMUJFWSA-N 1 1 360.439 3.178 20 5 FGBDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)Cc3cccnc3[N+](=O)[O-])C2)s1 ZINC000886193801 739227708 /nfs/dbraw/zinc/22/77/08/739227708.db2.gz CHIAHBGPQGNWEP-OAHLLOKOSA-N 1 1 360.483 3.314 20 5 FGBDMO CC[N@H+]1CC[C@H](CNC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1 ZINC000895818588 742457139 /nfs/dbraw/zinc/45/71/39/742457139.db2.gz DUIJOGGMCRQQBF-MRVPVSSYSA-N 1 1 364.204 3.112 20 5 FGBDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000908537376 744296452 /nfs/dbraw/zinc/29/64/52/744296452.db2.gz WTOMHWFCLUXFEA-SFHVURJKSA-N 1 1 365.861 3.125 20 5 FGBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000931114856 760781052 /nfs/dbraw/zinc/78/10/52/760781052.db2.gz IQWAQZRSPLLVPK-ZDUSSCGKSA-N 1 1 351.472 3.167 20 5 FGBDMO COC(=O)c1cnc([C@@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3C)C2)s1 ZINC000932665072 761211858 /nfs/dbraw/zinc/21/18/58/761211858.db2.gz RSXWOJDGXKLVSU-CYBMUJFWSA-N 1 1 361.423 3.136 20 5 FGBDMO C[C@@H]([NH2+][C@@H](C)c1cncs1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000934197513 761557369 /nfs/dbraw/zinc/55/73/69/761557369.db2.gz DEFHCHMVMSFSTE-DTWKUNHWSA-N 1 1 354.819 3.383 20 5 FGBDMO C[C@H]([NH2+][C@@H](C)c1cncs1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000934198920 761558267 /nfs/dbraw/zinc/55/82/67/761558267.db2.gz RTLRAQLEKBRZIU-IUCAKERBSA-N 1 1 354.819 3.383 20 5 FGBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000934547940 761653173 /nfs/dbraw/zinc/65/31/73/761653173.db2.gz KUEDSMSSILPJIL-CQSZACIVSA-N 1 1 367.877 3.275 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](Cc1ccccc1)C[C@]1(O)CCO[C@H]1C ZINC000573590352 505573641 /nfs/dbraw/zinc/57/36/41/505573641.db2.gz MEZUIDWCWOVPMI-LAUBAEHRSA-N 1 1 370.449 3.445 20 5 FGBDMO Cc1cccc([C@H]2CCC[N@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000576720362 505578075 /nfs/dbraw/zinc/57/80/75/505578075.db2.gz SPANWIMWRSBEEJ-GOSISDBHSA-N 1 1 354.410 3.464 20 5 FGBDMO COCCN1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000048017720 493773902 /nfs/dbraw/zinc/77/39/02/493773902.db2.gz YZYVJNZSYKVRNW-UHFFFAOYSA-N 1 1 361.467 3.087 20 5 FGBDMO COCC[NH+]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000048017720 493773909 /nfs/dbraw/zinc/77/39/09/493773909.db2.gz YZYVJNZSYKVRNW-UHFFFAOYSA-N 1 1 361.467 3.087 20 5 FGBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000069044457 493911457 /nfs/dbraw/zinc/91/14/57/493911457.db2.gz LLWSNLHRVMUURY-INIZCTEOSA-N 1 1 362.474 3.024 20 5 FGBDMO COc1ccccc1[C@@H]1CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000069085452 493918955 /nfs/dbraw/zinc/91/89/55/493918955.db2.gz XEVGNHJCPAECEP-LPHOPBHVSA-N 1 1 372.421 3.180 20 5 FGBDMO CCC[N@@H+](C)C[C@@H]1CCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000081571388 493919652 /nfs/dbraw/zinc/91/96/52/493919652.db2.gz FGPRTIXANPXPER-GJZGRUSLSA-N 1 1 373.457 3.370 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050579605 493922022 /nfs/dbraw/zinc/92/20/22/493922022.db2.gz DZZKCOKYPDFUAM-ZDUSSCGKSA-N 1 1 374.466 3.323 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000060369961 493927917 /nfs/dbraw/zinc/92/79/17/493927917.db2.gz HAJTXUKHENUREP-QGZVFWFLSA-N 1 1 368.437 3.418 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)ccc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000031305975 493937439 /nfs/dbraw/zinc/93/74/39/493937439.db2.gz ZFTKRMLNARPVIB-SFHVURJKSA-N 1 1 361.829 3.104 20 5 FGBDMO CCNC(=O)C[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000061015624 493962346 /nfs/dbraw/zinc/96/23/46/493962346.db2.gz NJRYWPAOUSCTGU-UHFFFAOYSA-N 1 1 363.801 3.266 20 5 FGBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1N1CCOCC1 ZINC000052102495 494004860 /nfs/dbraw/zinc/00/48/60/494004860.db2.gz DYADMKLOJXXMPO-UHFFFAOYSA-N 1 1 355.438 3.106 20 5 FGBDMO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000052314970 494017745 /nfs/dbraw/zinc/01/77/45/494017745.db2.gz JSNIPJAMUNXWQZ-MRXNPFEDSA-N 1 1 369.421 3.324 20 5 FGBDMO Cc1ccc([C@H](C)[N@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000052907502 494074177 /nfs/dbraw/zinc/07/41/77/494074177.db2.gz LIRXSFNQDUWLMX-ZDUSSCGKSA-N 1 1 371.393 3.263 20 5 FGBDMO Cc1ccc([C@H](C)[N@@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000052907502 494074180 /nfs/dbraw/zinc/07/41/80/494074180.db2.gz LIRXSFNQDUWLMX-ZDUSSCGKSA-N 1 1 371.393 3.263 20 5 FGBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000063695234 494076759 /nfs/dbraw/zinc/07/67/59/494076759.db2.gz LLWSNLHRVMUURY-MRXNPFEDSA-N 1 1 362.474 3.024 20 5 FGBDMO COc1ccc(CNC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000064350492 494116680 /nfs/dbraw/zinc/11/66/80/494116680.db2.gz CVIAEQGYGWBWKN-UHFFFAOYSA-N 1 1 371.437 3.130 20 5 FGBDMO COc1ccc(CNC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000064350492 494116685 /nfs/dbraw/zinc/11/66/85/494116685.db2.gz CVIAEQGYGWBWKN-UHFFFAOYSA-N 1 1 371.437 3.130 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038856292 494118954 /nfs/dbraw/zinc/11/89/54/494118954.db2.gz MYGOIQZCVLGTSC-INIZCTEOSA-N 1 1 369.421 3.454 20 5 FGBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000065420858 494195533 /nfs/dbraw/zinc/19/55/33/494195533.db2.gz HVGPNHYKJCGNNV-CQSZACIVSA-N 1 1 365.499 3.314 20 5 FGBDMO CNc1ccc(C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000054226888 494209752 /nfs/dbraw/zinc/20/97/52/494209752.db2.gz SSYSOJFQZPJLJB-PBHICJAKSA-N 1 1 368.437 3.202 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012284491 494218847 /nfs/dbraw/zinc/21/88/47/494218847.db2.gz JZZSMORHQRRXKL-OAHLLOKOSA-N 1 1 369.421 3.454 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000054349081 494224530 /nfs/dbraw/zinc/22/45/30/494224530.db2.gz FPFLNVDTFPRBLK-UHFFFAOYSA-N 1 1 360.439 3.145 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000054349081 494224534 /nfs/dbraw/zinc/22/45/34/494224534.db2.gz FPFLNVDTFPRBLK-UHFFFAOYSA-N 1 1 360.439 3.145 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cccc(OC(F)F)c3)C2)nc1 ZINC000072664919 494228874 /nfs/dbraw/zinc/22/88/74/494228874.db2.gz KGSZZLYJBSFXPY-CYBMUJFWSA-N 1 1 364.352 3.278 20 5 FGBDMO CCOC[C@@H]1CCC[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000072976610 494296803 /nfs/dbraw/zinc/29/68/03/494296803.db2.gz WICULKYBUKGXAX-UONOGXRCSA-N 1 1 360.414 3.454 20 5 FGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCOc1ccccc1F ZINC000015045818 494335509 /nfs/dbraw/zinc/33/55/09/494335509.db2.gz GPWGLNVHLKBKRR-CYBMUJFWSA-N 1 1 361.373 3.072 20 5 FGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CCOc1ccccc1F ZINC000015045818 494335511 /nfs/dbraw/zinc/33/55/11/494335511.db2.gz GPWGLNVHLKBKRR-CYBMUJFWSA-N 1 1 361.373 3.072 20 5 FGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCOc1ccc(F)cc1 ZINC000015101393 494338658 /nfs/dbraw/zinc/33/86/58/494338658.db2.gz CWBOCBLXTBNDDJ-ZDUSSCGKSA-N 1 1 361.373 3.072 20 5 FGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CCOc1ccc(F)cc1 ZINC000015101393 494338662 /nfs/dbraw/zinc/33/86/62/494338662.db2.gz CWBOCBLXTBNDDJ-ZDUSSCGKSA-N 1 1 361.373 3.072 20 5 FGBDMO Cc1ccccc1OCC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000015099306 494339215 /nfs/dbraw/zinc/33/92/15/494339215.db2.gz YKSOJEKBKHSTRJ-UHFFFAOYSA-N 1 1 357.410 3.161 20 5 FGBDMO Cc1ccccc1OCC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000015099306 494339220 /nfs/dbraw/zinc/33/92/20/494339220.db2.gz YKSOJEKBKHSTRJ-UHFFFAOYSA-N 1 1 357.410 3.161 20 5 FGBDMO Cc1ccc(OCC[N@@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000015102568 494339979 /nfs/dbraw/zinc/33/99/79/494339979.db2.gz SVCCGOSCOPZGOZ-HNNXBMFYSA-N 1 1 357.410 3.241 20 5 FGBDMO Cc1ccc(OCC[N@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000015102568 494339983 /nfs/dbraw/zinc/33/99/83/494339983.db2.gz SVCCGOSCOPZGOZ-HNNXBMFYSA-N 1 1 357.410 3.241 20 5 FGBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000044507325 494361777 /nfs/dbraw/zinc/36/17/77/494361777.db2.gz AAYPECHSPOWWFM-UHFFFAOYSA-N 1 1 359.451 3.313 20 5 FGBDMO Cc1ccc(OCC[N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000016421896 494388494 /nfs/dbraw/zinc/38/84/94/494388494.db2.gz UPBLJZZULVRMMX-UHFFFAOYSA-N 1 1 358.394 3.281 20 5 FGBDMO Cc1ccc(OCC[N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000016421896 494388500 /nfs/dbraw/zinc/38/85/00/494388500.db2.gz UPBLJZZULVRMMX-UHFFFAOYSA-N 1 1 358.394 3.281 20 5 FGBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl 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3.130 20 5 FGBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000117756877 494953005 /nfs/dbraw/zinc/95/30/05/494953005.db2.gz UGNXUOXVPBKONH-CQSZACIVSA-N 1 1 367.877 3.419 20 5 FGBDMO CCc1nn(C)c(NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1[N+](=O)[O-] ZINC000094151982 494954825 /nfs/dbraw/zinc/95/48/25/494954825.db2.gz RHKBSWGJRGJOMF-ZDUSSCGKSA-N 1 1 363.487 3.276 20 5 FGBDMO CCC[N@H+]1CC[C@@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000097257529 495029337 /nfs/dbraw/zinc/02/93/37/495029337.db2.gz BYZYROPEPGDNHC-NSHDSACASA-N 1 1 372.372 3.050 20 5 FGBDMO CC[C@H](C)[C@@H](C)[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000111226989 495050206 /nfs/dbraw/zinc/05/02/06/495050206.db2.gz AMACCMPVBFWURO-NWDGAFQWSA-N 1 1 363.414 3.161 20 5 FGBDMO C[N@H+]1CCCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000098079618 495053578 /nfs/dbraw/zinc/05/35/78/495053578.db2.gz UKZAUZZKPUJOIZ-UHFFFAOYSA-N 1 1 354.410 3.116 20 5 FGBDMO 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ZINC000160067311 495877002 /nfs/dbraw/zinc/87/70/02/495877002.db2.gz ZLMYPOWYJONONR-UHFFFAOYSA-N 1 1 360.336 3.173 20 5 FGBDMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC[C@@H]21 ZINC000151622680 495897546 /nfs/dbraw/zinc/89/75/46/495897546.db2.gz QVKOACQLWIQMSO-NHYWBVRUSA-N 1 1 352.822 3.196 20 5 FGBDMO CC(C)Cn1ccnc1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000174454624 495965678 /nfs/dbraw/zinc/96/56/78/495965678.db2.gz FNKQDTSJKKDFKR-UHFFFAOYSA-N 1 1 368.441 3.138 20 5 FGBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](c3ccccc3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000177555510 496109642 /nfs/dbraw/zinc/10/96/42/496109642.db2.gz RNNBICWMHLWFRF-WMLDXEAASA-N 1 1 369.421 3.420 20 5 FGBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](c3ccccc3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000177555510 496109647 /nfs/dbraw/zinc/10/96/47/496109647.db2.gz RNNBICWMHLWFRF-WMLDXEAASA-N 1 1 369.421 3.420 20 5 FGBDMO Cn1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c(-c2cccnc2)n1 ZINC000183799551 496120970 /nfs/dbraw/zinc/12/09/70/496120970.db2.gz MIILNNPNRUQIPG-UHFFFAOYSA-N 1 1 357.801 3.334 20 5 FGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000174863986 496139052 /nfs/dbraw/zinc/13/90/52/496139052.db2.gz BUVIAXINXAVYNL-LBPRGKRZSA-N 1 1 361.833 3.166 20 5 FGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000174863986 496139056 /nfs/dbraw/zinc/13/90/56/496139056.db2.gz BUVIAXINXAVYNL-LBPRGKRZSA-N 1 1 361.833 3.166 20 5 FGBDMO C[C@H](CNC(=O)c1cc2ccccc2c2cccnc12)C[NH+]1CCOCC1 ZINC000172461526 496306588 /nfs/dbraw/zinc/30/65/88/496306588.db2.gz XNRRUCYULAGWEL-MRXNPFEDSA-N 1 1 363.461 3.086 20 5 FGBDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000184360956 496351430 /nfs/dbraw/zinc/35/14/30/496351430.db2.gz RFMKODLIRAVUTK-INIZCTEOSA-N 1 1 368.441 3.206 20 5 FGBDMO Cc1ccc(Sc2ccc(C[N@H+]3CC[C@H](C(N)=O)C3)cc2[N+](=O)[O-])cc1 ZINC000157111131 496408645 /nfs/dbraw/zinc/40/86/45/496408645.db2.gz IEGQCTXONAONFM-HNNXBMFYSA-N 1 1 371.462 3.362 20 5 FGBDMO O=[N+]([O-])c1cccc(C[N@H+](C[C@@H](O)COCc2ccccc2)C2CC2)c1 ZINC000153316319 496418555 /nfs/dbraw/zinc/41/85/55/496418555.db2.gz MRTFYOORVCRMSX-HXUWFJFHSA-N 1 1 356.422 3.137 20 5 FGBDMO CC[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](C)c1cccc(OC)c1 ZINC000181570383 496451794 /nfs/dbraw/zinc/45/17/94/496451794.db2.gz YTUVXZQRRWECIH-DOTOQJQBSA-N 1 1 374.437 3.426 20 5 FGBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000172833839 496453116 /nfs/dbraw/zinc/45/31/16/496453116.db2.gz RQIPYBPUOQFJQX-SFHVURJKSA-N 1 1 351.406 3.149 20 5 FGBDMO CSc1ccc(C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000172839243 496456718 /nfs/dbraw/zinc/45/67/18/496456718.db2.gz LAOBBFDSTIZXKL-AWEZNQCLSA-N 1 1 351.472 3.263 20 5 FGBDMO Cc1csc([C@@H]([NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000181614881 496470531 /nfs/dbraw/zinc/47/05/31/496470531.db2.gz PALFUDJCARSIFD-NHYWBVRUSA-N 1 1 360.439 3.428 20 5 FGBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000172906926 496484857 /nfs/dbraw/zinc/48/48/57/496484857.db2.gz RAMIKSQYXNNSHS-GFCCVEGCSA-N 1 1 373.375 3.464 20 5 FGBDMO COc1c(C)cc(C[N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1C ZINC000181677323 496499798 /nfs/dbraw/zinc/49/97/98/496499798.db2.gz SKCIFQXNDSSYFG-KRWDZBQOSA-N 1 1 374.437 3.092 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000153626816 496522488 /nfs/dbraw/zinc/52/24/88/496522488.db2.gz AVQKWZKFAAYMOG-IYBDPMFKSA-N 1 1 374.485 3.031 20 5 FGBDMO CC[C@H](C)[C@H](C)[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000181787137 496544418 /nfs/dbraw/zinc/54/44/18/496544418.db2.gz HXTJKQUGGACDRZ-KBPBESRZSA-N 1 1 354.472 3.268 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000184873947 496566824 /nfs/dbraw/zinc/56/68/24/496566824.db2.gz WAFPEHRZJSZQLU-LMMKCTJWSA-N 1 1 359.470 3.106 20 5 FGBDMO Cc1cc(NC(=O)NCC[N@@H+]2CCc3sccc3C2)ccc1[N+](=O)[O-] ZINC000153811971 496587712 /nfs/dbraw/zinc/58/77/12/496587712.db2.gz VATMRJPGGKWIOM-UHFFFAOYSA-N 1 1 360.439 3.145 20 5 FGBDMO Cc1cc(NC(=O)NCC[N@H+]2CCc3sccc3C2)ccc1[N+](=O)[O-] ZINC000153811971 496587717 /nfs/dbraw/zinc/58/77/17/496587717.db2.gz VATMRJPGGKWIOM-UHFFFAOYSA-N 1 1 360.439 3.145 20 5 FGBDMO COc1ccccc1[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000158044133 496615301 /nfs/dbraw/zinc/61/53/01/496615301.db2.gz VWNCSXZWLFDICY-CQSZACIVSA-N 1 1 355.394 3.031 20 5 FGBDMO COc1ccccc1[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000158044133 496615306 /nfs/dbraw/zinc/61/53/06/496615306.db2.gz VWNCSXZWLFDICY-CQSZACIVSA-N 1 1 355.394 3.031 20 5 FGBDMO CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C12CCC2 ZINC000154029905 496660684 /nfs/dbraw/zinc/66/06/84/496660684.db2.gz AKEAGCLPAWRCNG-DLBZAZTESA-N 1 1 361.442 3.121 20 5 FGBDMO CCO[C@@H]1C[C@H]([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C12CCC2 ZINC000154029905 496660691 /nfs/dbraw/zinc/66/06/91/496660691.db2.gz AKEAGCLPAWRCNG-DLBZAZTESA-N 1 1 361.442 3.121 20 5 FGBDMO CCCc1[nH]nc(C(=O)Nc2cccc3c2C[N@@H+](CC(C)C)C3)c1[N+](=O)[O-] ZINC000158368683 496686135 /nfs/dbraw/zinc/68/61/35/496686135.db2.gz VIFOYANUNRSTGC-UHFFFAOYSA-N 1 1 371.441 3.494 20 5 FGBDMO CC(C)[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000182142026 496686393 /nfs/dbraw/zinc/68/63/93/496686393.db2.gz ZJVMCENJPKUKQJ-UHFFFAOYSA-N 1 1 354.472 3.412 20 5 FGBDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C ZINC000188111514 496687031 /nfs/dbraw/zinc/68/70/31/496687031.db2.gz QTNGMRMPZSASMV-GUYCJALGSA-N 1 1 358.394 3.486 20 5 FGBDMO CSc1cccc(C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000188246415 496722990 /nfs/dbraw/zinc/72/29/90/496722990.db2.gz KLGWUWOYPCKYGC-CQSZACIVSA-N 1 1 365.499 3.415 20 5 FGBDMO Cc1cnc([C@H]([NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C2CC2)s1 ZINC000185307742 496727004 /nfs/dbraw/zinc/72/70/04/496727004.db2.gz SLVFYHDZLLPEII-IAQYHMDHSA-N 1 1 360.439 3.428 20 5 FGBDMO CC(C)c1ccc(C[N@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000247291885 496826612 /nfs/dbraw/zinc/82/66/12/496826612.db2.gz ZEYSHKYRFDNPPJ-QFBILLFUSA-N 1 1 372.469 3.397 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCSC[C@@H]2c2ccccc2)c1 ZINC000247339117 496839860 /nfs/dbraw/zinc/83/98/60/496839860.db2.gz ZBCZQNLPZFBGCM-IEBWSBKVSA-N 1 1 374.462 3.125 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248062538 496950543 /nfs/dbraw/zinc/95/05/43/496950543.db2.gz PHFUCKLNIAVPKU-AEFFLSMTSA-N 1 1 354.410 3.470 20 5 FGBDMO Cn1c2ccccc2cc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1=O ZINC000574887254 505876181 /nfs/dbraw/zinc/87/61/81/505876181.db2.gz YTVUCCODNMLUDL-UHFFFAOYSA-N 1 1 351.406 3.121 20 5 FGBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000248374178 496986432 /nfs/dbraw/zinc/98/64/32/496986432.db2.gz OIVTYFCVDNSXKG-WCQYABFASA-N 1 1 371.890 3.139 20 5 FGBDMO CC[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H](C)c1cccc(OC)c1 ZINC000248477568 497024100 /nfs/dbraw/zinc/02/41/00/497024100.db2.gz YTUVXZQRRWECIH-NVXWUHKLSA-N 1 1 374.437 3.426 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCC(c4ncc[nH]4)CC3)co2)cc1 ZINC000270582615 497153975 /nfs/dbraw/zinc/15/39/75/497153975.db2.gz ITTAIWKHYHTKOF-UHFFFAOYSA-N 1 1 353.382 3.353 20 5 FGBDMO C[C@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000265724928 497169246 /nfs/dbraw/zinc/16/92/46/497169246.db2.gz NXYVWWYSCGEEIE-GOEBONIOSA-N 1 1 356.426 3.048 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000237204154 497204093 /nfs/dbraw/zinc/20/40/93/497204093.db2.gz XUQUIPKDQGDTBQ-GOSISDBHSA-N 1 1 355.438 3.358 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000237204154 497204096 /nfs/dbraw/zinc/20/40/96/497204096.db2.gz XUQUIPKDQGDTBQ-GOSISDBHSA-N 1 1 355.438 3.358 20 5 FGBDMO CCn1nccc1C1CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000278744366 497207188 /nfs/dbraw/zinc/20/71/88/497207188.db2.gz ALCBDVSGXYOORA-CQSZACIVSA-N 1 1 371.441 3.018 20 5 FGBDMO CC(C)CCOC1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000193117055 497306396 /nfs/dbraw/zinc/30/63/96/497306396.db2.gz WTEJFHJWCPKOJD-UHFFFAOYSA-N 1 1 364.442 3.488 20 5 FGBDMO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3cc(F)ccc3[N+](=O)[O-])CC2)C1 ZINC000193133098 497310622 /nfs/dbraw/zinc/31/06/22/497310622.db2.gz PIIQPELJGULTIW-CQSZACIVSA-N 1 1 363.433 3.204 20 5 FGBDMO COC(=O)[C@@H](C)[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CCC1 ZINC000190087619 497352409 /nfs/dbraw/zinc/35/24/09/497352409.db2.gz FONHRVGZEMIZQD-CYBMUJFWSA-N 1 1 373.409 3.208 20 5 FGBDMO COC(=O)[C@@H](C)[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CCC1 ZINC000190087619 497352412 /nfs/dbraw/zinc/35/24/12/497352412.db2.gz FONHRVGZEMIZQD-CYBMUJFWSA-N 1 1 373.409 3.208 20 5 FGBDMO CCN1CC[C@H]([N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)C1 ZINC000245418183 497395376 /nfs/dbraw/zinc/39/53/76/497395376.db2.gz GLFGDYVXHOLSAW-YJBOKZPZSA-N 1 1 372.469 3.454 20 5 FGBDMO CCN1CC[C@H]([N@@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)C1 ZINC000245418183 497395380 /nfs/dbraw/zinc/39/53/80/497395380.db2.gz GLFGDYVXHOLSAW-YJBOKZPZSA-N 1 1 372.469 3.454 20 5 FGBDMO CC[N@@H+]1CC[C@H](N(C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)C1 ZINC000245418183 497395388 /nfs/dbraw/zinc/39/53/88/497395388.db2.gz GLFGDYVXHOLSAW-YJBOKZPZSA-N 1 1 372.469 3.454 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)C1 ZINC000245418183 497395394 /nfs/dbraw/zinc/39/53/94/497395394.db2.gz GLFGDYVXHOLSAW-YJBOKZPZSA-N 1 1 372.469 3.454 20 5 FGBDMO O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CC[NH+](CC2CC2)CC1 ZINC000275675064 497401428 /nfs/dbraw/zinc/40/14/28/497401428.db2.gz NPVDNHZOAOKHPZ-UHFFFAOYSA-N 1 1 361.445 3.261 20 5 FGBDMO O=C1C[C@@]2(CC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C2)CN1 ZINC000279335753 497410394 /nfs/dbraw/zinc/41/03/94/497410394.db2.gz DOAOPQZQLFAXEF-SFHVURJKSA-N 1 1 357.435 3.035 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCS[C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000245453065 497414723 /nfs/dbraw/zinc/41/47/23/497414723.db2.gz QXDZRJOFHKCNPS-XJKSGUPXSA-N 1 1 351.472 3.304 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCS[C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000245453065 497414724 /nfs/dbraw/zinc/41/47/24/497414724.db2.gz QXDZRJOFHKCNPS-XJKSGUPXSA-N 1 1 351.472 3.304 20 5 FGBDMO C[C@H](c1ccc(Cl)cc1)[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000245457172 497416991 /nfs/dbraw/zinc/41/69/91/497416991.db2.gz UFJYUNBLEBASJJ-PXAZEXFGSA-N 1 1 364.833 3.031 20 5 FGBDMO COc1cccc2c1CC[N@@H+]([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)CC2 ZINC000193713376 497456106 /nfs/dbraw/zinc/45/61/06/497456106.db2.gz UEJQFQBOBHDREM-AWEZNQCLSA-N 1 1 369.421 3.031 20 5 FGBDMO COc1cccc2c1CC[N@H+]([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)CC2 ZINC000193713376 497456112 /nfs/dbraw/zinc/45/61/12/497456112.db2.gz UEJQFQBOBHDREM-AWEZNQCLSA-N 1 1 369.421 3.031 20 5 FGBDMO C[C@H](O)C[C@H]1CCCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000279716827 497518908 /nfs/dbraw/zinc/51/89/08/497518908.db2.gz INEPOZGGXRAORS-GOEBONIOSA-N 1 1 359.426 3.418 20 5 FGBDMO C[C@@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272183233 497558259 /nfs/dbraw/zinc/55/82/59/497558259.db2.gz AJKUYOCPLKCTDX-ZBFHGGJFSA-N 1 1 371.412 3.374 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000267495580 497567551 /nfs/dbraw/zinc/56/75/51/497567551.db2.gz XBLSLESDXTYZPV-VQIMIIECSA-N 1 1 367.449 3.164 20 5 FGBDMO CCOC1CC(CC[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000276416786 497568554 /nfs/dbraw/zinc/56/85/54/497568554.db2.gz FXNAQGDSTQJEID-IUPXNIOVSA-N 1 1 358.442 3.213 20 5 FGBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000245911881 497569481 /nfs/dbraw/zinc/56/94/81/497569481.db2.gz RHMZRECUQIIRGZ-SJORKVTESA-N 1 1 374.828 3.127 20 5 FGBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000245911881 497569485 /nfs/dbraw/zinc/56/94/85/497569485.db2.gz RHMZRECUQIIRGZ-SJORKVTESA-N 1 1 374.828 3.127 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(NC(=O)N(C)C)cc1 ZINC000279885058 497576385 /nfs/dbraw/zinc/57/63/85/497576385.db2.gz NVYSVHGHLKBUKJ-UHFFFAOYSA-N 1 1 372.425 3.377 20 5 FGBDMO CO[C@]1(C)C[C@H]([NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000272562784 497664336 /nfs/dbraw/zinc/66/43/36/497664336.db2.gz UKGOTMFQLPUWFC-TXPKVOOTSA-N 1 1 358.442 3.211 20 5 FGBDMO C[C@@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000272579527 497668775 /nfs/dbraw/zinc/66/87/75/497668775.db2.gz XTTNGUWYRWKDOJ-JTDSTZFVSA-N 1 1 371.485 3.128 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]CC1(CCO)CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272584310 497670831 /nfs/dbraw/zinc/67/08/31/497670831.db2.gz YQRYSTQMYCCGEJ-SFHVURJKSA-N 1 1 372.469 3.340 20 5 FGBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000268280928 497717657 /nfs/dbraw/zinc/71/76/57/497717657.db2.gz YDWBDQHIJXRGGT-GFCCVEGCSA-N 1 1 373.375 3.321 20 5 FGBDMO CCCCC[C@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000582807500 506429723 /nfs/dbraw/zinc/42/97/23/506429723.db2.gz GWAKHTSPDCRKLD-HNNXBMFYSA-N 1 1 354.472 3.413 20 5 FGBDMO COCCN(C)c1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cn1 ZINC000191233304 497750912 /nfs/dbraw/zinc/75/09/12/497750912.db2.gz NKRBKUPTDBDLIQ-UHFFFAOYSA-N 1 1 372.469 3.483 20 5 FGBDMO CCCCC[C@H]1CCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000582807500 506429727 /nfs/dbraw/zinc/42/97/27/506429727.db2.gz GWAKHTSPDCRKLD-HNNXBMFYSA-N 1 1 354.472 3.413 20 5 FGBDMO Cc1nn(C)c(N2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)c1[N+](=O)[O-] ZINC000273108568 497799928 /nfs/dbraw/zinc/79/99/28/497799928.db2.gz NKYIFTWZOPZJKI-CYBMUJFWSA-N 1 1 354.414 3.205 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000246862499 497817357 /nfs/dbraw/zinc/81/73/57/497817357.db2.gz UIWMEBPAXHGMJU-INWMFGNUSA-N 1 1 358.398 3.207 20 5 FGBDMO O=C(CCC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000295941083 497861609 /nfs/dbraw/zinc/86/16/09/497861609.db2.gz SZJUAYXXVBAOQZ-UHFFFAOYSA-N 1 1 373.453 3.035 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CC[NH+](C3CCCC3)CC2)c(Br)c1 ZINC000301110038 497955763 /nfs/dbraw/zinc/95/57/63/497955763.db2.gz RASXVHPWIHWVBO-UHFFFAOYSA-N 1 1 354.248 3.422 20 5 FGBDMO O=C1Nc2ccccc2[C@]12CC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000364434992 497956007 /nfs/dbraw/zinc/95/60/07/497956007.db2.gz PTWZGMJEKOWVSU-GOSISDBHSA-N 1 1 357.797 3.344 20 5 FGBDMO CSC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000292415243 498007596 /nfs/dbraw/zinc/00/75/96/498007596.db2.gz MJDJOSVBYQCCQB-KGLIPLIRSA-N 1 1 351.472 3.305 20 5 FGBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000301252554 498021490 /nfs/dbraw/zinc/02/14/90/498021490.db2.gz SDHACBQMFROENA-QLFBSQMISA-N 1 1 374.485 3.265 20 5 FGBDMO COc1cc(NCc2ccc(C[NH+]3CCOCC3)cc2)ccc1[N+](=O)[O-] ZINC000301371684 498078586 /nfs/dbraw/zinc/07/85/86/498078586.db2.gz SZQVFPMQDVAMCN-UHFFFAOYSA-N 1 1 357.410 3.048 20 5 FGBDMO COc1cc(F)c([N+](=O)[O-])c(N2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC000301374264 498080862 /nfs/dbraw/zinc/08/08/62/498080862.db2.gz WRZZCDQLMOONLX-UHFFFAOYSA-N 1 1 359.401 3.455 20 5 FGBDMO C[C@@]12CCC[N@H+]1C[C@H](c1noc(-c3c[nH]c4ccc([N+](=O)[O-])cc43)n1)OC2 ZINC000350389550 498092824 /nfs/dbraw/zinc/09/28/24/498092824.db2.gz LJSXRANTTQYEBU-QAPCUYQASA-N 1 1 369.381 3.052 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@@H](Cc4ccncc4)C3)o2)cc1 ZINC000364701894 498100483 /nfs/dbraw/zinc/10/04/83/498100483.db2.gz DQTFVAZSXLEKNT-HNNXBMFYSA-N 1 1 365.393 3.104 20 5 FGBDMO Cc1noc([C@H]2CCCC[N@@H+]2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)n1 ZINC000285547515 498125800 /nfs/dbraw/zinc/12/58/00/498125800.db2.gz GIEOYBOLCKQLPC-MRXNPFEDSA-N 1 1 373.413 3.150 20 5 FGBDMO Cc1noc([C@H]2CCCC[N@H+]2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)n1 ZINC000285547515 498125807 /nfs/dbraw/zinc/12/58/07/498125807.db2.gz GIEOYBOLCKQLPC-MRXNPFEDSA-N 1 1 373.413 3.150 20 5 FGBDMO CCc1nccc([C@H]2CCC[N@@H+](Cc3ccc(OC)c([N+](=O)[O-])c3)C2)n1 ZINC000364759849 498131294 /nfs/dbraw/zinc/13/12/94/498131294.db2.gz OCKGMPXJVOQVLE-HNNXBMFYSA-N 1 1 356.426 3.335 20 5 FGBDMO C[C@@H]1C[N@H+](CCCCNc2ccc([N+](=O)[O-])c3cnccc23)C[C@H](C)O1 ZINC000301536396 498152306 /nfs/dbraw/zinc/15/23/06/498152306.db2.gz AORIEIIMKFILTG-GASCZTMLSA-N 1 1 358.442 3.444 20 5 FGBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cc1 ZINC000285643920 498157805 /nfs/dbraw/zinc/15/78/05/498157805.db2.gz RXWFYAVVWQMXJF-HNNXBMFYSA-N 1 1 362.348 3.143 20 5 FGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000289468132 498158291 /nfs/dbraw/zinc/15/82/91/498158291.db2.gz MSTDSULSCLXZMW-NWDGAFQWSA-N 1 1 359.348 3.046 20 5 FGBDMO CC[C@H]1CCCC[N@H+]1CCNc1ncc([N+](=O)[O-])cc1Br ZINC000301563852 498165593 /nfs/dbraw/zinc/16/55/93/498165593.db2.gz VBUFSFRALKRSOA-NSHDSACASA-N 1 1 357.252 3.429 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H](C[NH+]2CCN(C)CC2)c2ccccc2)c1 ZINC000301572649 498170117 /nfs/dbraw/zinc/17/01/17/498170117.db2.gz PFABZZQIXBQRHK-IBGZPJMESA-N 1 1 354.454 3.304 20 5 FGBDMO COc1cc(NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000301612172 498186607 /nfs/dbraw/zinc/18/66/07/498186607.db2.gz FPIJEBKYIWKDMO-TXEJJXNPSA-N 1 1 355.410 3.042 20 5 FGBDMO COc1cc(NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000301612172 498186613 /nfs/dbraw/zinc/18/66/13/498186613.db2.gz FPIJEBKYIWKDMO-TXEJJXNPSA-N 1 1 355.410 3.042 20 5 FGBDMO CC[C@H](Nc1ncccc1[N+](=O)[O-])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000301667382 498214115 /nfs/dbraw/zinc/21/41/15/498214115.db2.gz OYZLAYWBOBZDHA-FUHWJXTLSA-N 1 1 356.426 3.081 20 5 FGBDMO CC[C@H](Nc1ncccc1[N+](=O)[O-])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000301667382 498214126 /nfs/dbraw/zinc/21/41/26/498214126.db2.gz OYZLAYWBOBZDHA-FUHWJXTLSA-N 1 1 356.426 3.081 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@H](Nc4ccccc4)C3)o2)cc1 ZINC000365127182 498311361 /nfs/dbraw/zinc/31/13/61/498311361.db2.gz HUHVEWFGKVIXNY-INIZCTEOSA-N 1 1 365.393 3.331 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@H](Nc4ccccc4)C3)o2)cc1 ZINC000365127182 498311368 /nfs/dbraw/zinc/31/13/68/498311368.db2.gz HUHVEWFGKVIXNY-INIZCTEOSA-N 1 1 365.393 3.331 20 5 FGBDMO Nc1c(F)c(N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)ccc1[N+](=O)[O-] ZINC000281903826 498311911 /nfs/dbraw/zinc/31/19/11/498311911.db2.gz MWSOLBNMJOWKQV-LBPRGKRZSA-N 1 1 359.405 3.233 20 5 FGBDMO C[C@@H](Nc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1)[C@H](C)[NH+]1CCOCC1 ZINC000301899801 498319057 /nfs/dbraw/zinc/31/90/57/498319057.db2.gz YLMBYEUYSARKSQ-KGLIPLIRSA-N 1 1 351.447 3.293 20 5 FGBDMO CCc1nn(C)c(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301924730 498330001 /nfs/dbraw/zinc/33/00/01/498330001.db2.gz GINUNMJRVGRQTO-GOEBONIOSA-N 1 1 357.458 3.356 20 5 FGBDMO O=[N+]([O-])c1cnc2ccc(NC[C@H]3CCC[N@@H+](Cc4cccs4)C3)nn21 ZINC000301958505 498344729 /nfs/dbraw/zinc/34/47/29/498344729.db2.gz GNNUVEJKTJVSMN-CYBMUJFWSA-N 1 1 372.454 3.023 20 5 FGBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000297310674 498400716 /nfs/dbraw/zinc/40/07/16/498400716.db2.gz ZCAQYTRNASZOCO-GFCCVEGCSA-N 1 1 353.382 3.259 20 5 FGBDMO Cc1cc(NC[C@H](C(C)C)N2CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302146991 498416252 /nfs/dbraw/zinc/41/62/52/498416252.db2.gz GVYILKLTBJKOGB-LJQANCHMSA-N 1 1 358.442 3.220 20 5 FGBDMO C[C@@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC[N@H+]1C ZINC000302182324 498431392 /nfs/dbraw/zinc/43/13/92/498431392.db2.gz RESAOVDZJBINPM-NVXWUHKLSA-N 1 1 370.453 3.488 20 5 FGBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000331723180 498432348 /nfs/dbraw/zinc/43/23/48/498432348.db2.gz UYUXSHCQRNDLFJ-MJBXVCDLSA-N 1 1 358.442 3.172 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000302197333 498437866 /nfs/dbraw/zinc/43/78/66/498437866.db2.gz SZSSREMZJLXYDB-ZFWWWQNUSA-N 1 1 361.442 3.446 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000302197332 498438018 /nfs/dbraw/zinc/43/80/18/498438018.db2.gz SZSSREMZJLXYDB-UKRRQHHQSA-N 1 1 361.442 3.446 20 5 FGBDMO CCOc1cccc(N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c1[N+](=O)[O-] ZINC000302218212 498448318 /nfs/dbraw/zinc/44/83/18/498448318.db2.gz KSYYFFRFYPIXSW-HNNXBMFYSA-N 1 1 356.426 3.272 20 5 FGBDMO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(OC)nc2OC)cc1[N+](=O)[O-] ZINC000290225832 498472014 /nfs/dbraw/zinc/47/20/14/498472014.db2.gz RFMNVDHWLKEOIB-LBPRGKRZSA-N 1 1 361.398 3.257 20 5 FGBDMO CCOCCO[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000293769871 498483715 /nfs/dbraw/zinc/48/37/15/498483715.db2.gz KUTLEKKEDFLCAV-AWEZNQCLSA-N 1 1 362.348 3.241 20 5 FGBDMO CCOCCO[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000293769871 498483720 /nfs/dbraw/zinc/48/37/20/498483720.db2.gz KUTLEKKEDFLCAV-AWEZNQCLSA-N 1 1 362.348 3.241 20 5 FGBDMO NC(=O)c1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000282386322 498490120 /nfs/dbraw/zinc/49/01/20/498490120.db2.gz GMIMTRZRSDEMEQ-CQSZACIVSA-N 1 1 371.359 3.248 20 5 FGBDMO NC(=O)c1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000282386322 498490126 /nfs/dbraw/zinc/49/01/26/498490126.db2.gz GMIMTRZRSDEMEQ-CQSZACIVSA-N 1 1 371.359 3.248 20 5 FGBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000297598363 498505647 /nfs/dbraw/zinc/50/56/47/498505647.db2.gz HAAGWGHYWBZUIQ-HZMBPMFUSA-N 1 1 359.348 3.026 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@H](C4CCOCC4)C3)co2)cc1 ZINC000362451808 498519081 /nfs/dbraw/zinc/51/90/81/498519081.db2.gz OYBVCBZQBCZZTR-INIZCTEOSA-N 1 1 357.410 3.498 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@H](C)C1 ZINC000297689835 498536587 /nfs/dbraw/zinc/53/65/87/498536587.db2.gz MBXYPUQUROIWHZ-ABAIWWIYSA-N 1 1 373.375 3.416 20 5 FGBDMO C[C@H]([NH2+]Cc1cccnc1OCC(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293943309 498540596 /nfs/dbraw/zinc/54/05/96/498540596.db2.gz YTUBTRYBOMXESW-JTQLQIEISA-N 1 1 370.331 3.364 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000365583787 498543760 /nfs/dbraw/zinc/54/37/60/498543760.db2.gz ZFDYRSXXDXWLQA-IRXDYDNUSA-N 1 1 369.421 3.457 20 5 FGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000332138250 498575877 /nfs/dbraw/zinc/57/58/77/498575877.db2.gz GEAUKJZMUBAIRJ-FCEWJHQRSA-N 1 1 359.470 3.391 20 5 FGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000332138252 498576500 /nfs/dbraw/zinc/57/65/00/498576500.db2.gz GEAUKJZMUBAIRJ-JTDSTZFVSA-N 1 1 359.470 3.391 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000294146875 498603456 /nfs/dbraw/zinc/60/34/56/498603456.db2.gz NDRZDMLTHLGFIG-QGZVFWFLSA-N 1 1 351.834 3.115 20 5 FGBDMO Cc1[nH]c2ccccc2c1C(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365824681 498656971 /nfs/dbraw/zinc/65/69/71/498656971.db2.gz ZGPRKLLXIAAIGN-UHFFFAOYSA-N 1 1 367.409 3.101 20 5 FGBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000363155957 498677400 /nfs/dbraw/zinc/67/74/00/498677400.db2.gz AGUNQXTUDFDRGI-KBPBESRZSA-N 1 1 372.450 3.075 20 5 FGBDMO O=C(C[N@H+]1CCC[C@]2(CC=CCC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000303554360 498692102 /nfs/dbraw/zinc/69/21/02/498692102.db2.gz KBXLUFYCFHXZQQ-HXUWFJFHSA-N 1 1 355.438 3.306 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000332528587 498713616 /nfs/dbraw/zinc/71/36/16/498713616.db2.gz QDRWTEHZHTXWEA-OAHLLOKOSA-N 1 1 363.483 3.407 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000332528587 498713622 /nfs/dbraw/zinc/71/36/22/498713622.db2.gz QDRWTEHZHTXWEA-OAHLLOKOSA-N 1 1 363.483 3.407 20 5 FGBDMO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363257277 498731526 /nfs/dbraw/zinc/73/15/26/498731526.db2.gz VTCIKUPWIXXHGV-NUEKZKHPSA-N 1 1 371.462 3.366 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000298767363 498872420 /nfs/dbraw/zinc/87/24/20/498872420.db2.gz MTWDIYWDGJJWMI-INIZCTEOSA-N 1 1 358.398 3.097 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)o1 ZINC000291296434 498882177 /nfs/dbraw/zinc/88/21/77/498882177.db2.gz QBXLTQRXTIPWJJ-GFCCVEGCSA-N 1 1 352.337 3.304 20 5 FGBDMO CC[C@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000570184001 506110295 /nfs/dbraw/zinc/11/02/95/506110295.db2.gz JBJABYMNPUUAAW-GOSISDBHSA-N 1 1 355.438 3.464 20 5 FGBDMO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000295146443 498925962 /nfs/dbraw/zinc/92/59/62/498925962.db2.gz BMJMKZKTWGUBSK-CZUORRHYSA-N 1 1 363.845 3.337 20 5 FGBDMO Cc1c(C[N@@H+]2C[C@H](c3cnn(C)c3)C3(C2)CCOCC3)cccc1[N+](=O)[O-] ZINC000295211128 498943630 /nfs/dbraw/zinc/94/36/30/498943630.db2.gz WQNYGKWCOGSJQT-GOSISDBHSA-N 1 1 370.453 3.033 20 5 FGBDMO Cn1cc([C@@H](O)C[C@@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000363693636 498947323 /nfs/dbraw/zinc/94/73/23/498947323.db2.gz AQJFHXDMKOTMAR-YOEHRIQHSA-N 1 1 364.833 3.070 20 5 FGBDMO Cc1c(CC(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000573095727 506117967 /nfs/dbraw/zinc/11/79/67/506117967.db2.gz IQANXRQSFCPKGJ-OAQYLSRUSA-N 1 1 367.449 3.227 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCC1(F)F ZINC000291667543 499028803 /nfs/dbraw/zinc/02/88/03/499028803.db2.gz WAZPWRFKNMJHQS-GFCCVEGCSA-N 1 1 350.369 3.472 20 5 FGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000582072859 506127302 /nfs/dbraw/zinc/12/73/02/506127302.db2.gz LRDWFIQXBWKDMT-RBAUTDOXSA-N 1 1 359.470 3.185 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000299344175 499030230 /nfs/dbraw/zinc/03/02/30/499030230.db2.gz NDZYALXUGWMXRF-UHFFFAOYSA-N 1 1 371.462 3.319 20 5 FGBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3cc(C(F)(F)F)ccc3[N+](=O)[O-])C2)C1 ZINC000295563558 499052298 /nfs/dbraw/zinc/05/22/98/499052298.db2.gz JYCAJHBRKDKIMO-MRXNPFEDSA-N 1 1 371.359 3.172 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)cc1[N+](=O)[O-] ZINC000370120458 499183452 /nfs/dbraw/zinc/18/34/52/499183452.db2.gz NXFGUSFOPSVXKW-LEUOFYLZSA-N 1 1 372.469 3.090 20 5 FGBDMO O=C(CC[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000367364133 499188647 /nfs/dbraw/zinc/18/86/47/499188647.db2.gz ACFZCMXFXZDAGS-HOTGVXAUSA-N 1 1 361.442 3.062 20 5 FGBDMO Cc1nc(CN(C)[C@@H]2CCC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)no1 ZINC000370223165 499198957 /nfs/dbraw/zinc/19/89/57/499198957.db2.gz APQOUOOFCXWGAF-QGZVFWFLSA-N 1 1 373.457 3.081 20 5 FGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@](O)(c3ccccc3)CC2)c1 ZINC000367701455 499226487 /nfs/dbraw/zinc/22/64/87/499226487.db2.gz KWPAZONQFSDRMM-UXHICEINSA-N 1 1 356.422 3.002 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@](CO)(C(C)C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000367997942 499253378 /nfs/dbraw/zinc/25/33/78/499253378.db2.gz RBFKEORGCMGMNW-KRWDZBQOSA-N 1 1 374.384 3.045 20 5 FGBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000370869100 499264568 /nfs/dbraw/zinc/26/45/68/499264568.db2.gz IFUKMJUOJNSNDG-CQSZACIVSA-N 1 1 357.414 3.095 20 5 FGBDMO Cc1c([C@H]2CCC[N@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cnn1C ZINC000371379888 499317666 /nfs/dbraw/zinc/31/76/66/499317666.db2.gz RSCZGPSURXCTAJ-GOSISDBHSA-N 1 1 371.441 3.111 20 5 FGBDMO Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000368997334 499354704 /nfs/dbraw/zinc/35/47/04/499354704.db2.gz CRVHKOQPBWNJAA-HOTGVXAUSA-N 1 1 371.441 3.072 20 5 FGBDMO Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000368997334 499354706 /nfs/dbraw/zinc/35/47/06/499354706.db2.gz CRVHKOQPBWNJAA-HOTGVXAUSA-N 1 1 371.441 3.072 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000371712169 499357946 /nfs/dbraw/zinc/35/79/46/499357946.db2.gz ZDZQNALQZZBHRQ-LBPRGKRZSA-N 1 1 354.332 3.337 20 5 FGBDMO Cn1cc([C@@H]2[C@H](CNc3c(F)cc([N+](=O)[O-])cc3F)CCC[N@H+]2C)cn1 ZINC000372132921 499401876 /nfs/dbraw/zinc/40/18/76/499401876.db2.gz ZZGFGTIUIHVKEL-GTNSWQLSSA-N 1 1 365.384 3.102 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000372384157 499426780 /nfs/dbraw/zinc/42/67/80/499426780.db2.gz POFRPXRUHSFWIB-OAHLLOKOSA-N 1 1 364.442 3.011 20 5 FGBDMO CC(C)n1ncc2c1[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC2 ZINC000375719736 499548820 /nfs/dbraw/zinc/54/88/20/499548820.db2.gz OVFYONWUFZGLAX-OAHLLOKOSA-N 1 1 359.386 3.448 20 5 FGBDMO C[N@H+]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](c2ccccc2)C1 ZINC000375888524 499565098 /nfs/dbraw/zinc/56/50/98/499565098.db2.gz FQEBJSCBLHPJDE-NVXWUHKLSA-N 1 1 359.813 3.076 20 5 FGBDMO CNc1c(C(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000397999502 499565797 /nfs/dbraw/zinc/56/57/97/499565797.db2.gz MKCDTLYHAKQWCU-HOCLYGCPSA-N 1 1 368.437 3.029 20 5 FGBDMO COC[C@@H]1CCCC[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000376370979 499603714 /nfs/dbraw/zinc/60/37/14/499603714.db2.gz SGIXINPTKWULFY-ZIAGYGMSSA-N 1 1 360.414 3.454 20 5 FGBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC(n2c[nH+]cc2C)CC1 ZINC000376471675 499610911 /nfs/dbraw/zinc/61/09/11/499610911.db2.gz AROGNTDEDWSKQD-UHFFFAOYSA-N 1 1 358.398 3.036 20 5 FGBDMO COCC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000409901779 499628410 /nfs/dbraw/zinc/62/84/10/499628410.db2.gz VFIOLDPGBXQSHV-UHFFFAOYSA-N 1 1 357.410 3.072 20 5 FGBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)C[C@@H]21 ZINC000376729117 499632646 /nfs/dbraw/zinc/63/26/46/499632646.db2.gz OELLTQSJEIVSFH-XPTSAGLGSA-N 1 1 358.225 3.068 20 5 FGBDMO Cc1cccc(C(=O)N2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)c1[N+](=O)[O-] ZINC000376820085 499637305 /nfs/dbraw/zinc/63/73/05/499637305.db2.gz YBPXXDLZCDWFOS-HNNXBMFYSA-N 1 1 357.454 3.240 20 5 FGBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000377056887 499657626 /nfs/dbraw/zinc/65/76/26/499657626.db2.gz NFOHNQPDGNLSGB-HUUCEWRRSA-N 1 1 361.445 3.038 20 5 FGBDMO CSc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000411132137 499701428 /nfs/dbraw/zinc/70/14/28/499701428.db2.gz KVLPRSCGJOSITB-HNNXBMFYSA-N 1 1 362.451 3.188 20 5 FGBDMO CSc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000411132137 499701429 /nfs/dbraw/zinc/70/14/29/499701429.db2.gz KVLPRSCGJOSITB-HNNXBMFYSA-N 1 1 362.451 3.188 20 5 FGBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@H](C)[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000411510449 499749376 /nfs/dbraw/zinc/74/93/76/499749376.db2.gz YOJVTLYMSRIVQH-QRTARXTBSA-N 1 1 361.442 3.443 20 5 FGBDMO CC(C)([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1ccc([N+](=O)[O-])cc1 ZINC000414366673 499781646 /nfs/dbraw/zinc/78/16/46/499781646.db2.gz QKCXEUWBISFCIF-UHFFFAOYSA-N 1 1 354.453 3.085 20 5 FGBDMO NC(=O)c1ccc(C[N@H+]2C[C@@H](c3ccccc3)C3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000411994121 499811091 /nfs/dbraw/zinc/81/10/91/499811091.db2.gz YUQWPXNYSTVETE-SFHVURJKSA-N 1 1 365.433 3.463 20 5 FGBDMO C[C@@H](C[NH3+])CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000414873527 499840043 /nfs/dbraw/zinc/84/00/43/499840043.db2.gz HKWLRURSQLDVON-JTQLQIEISA-N 1 1 368.231 3.302 20 5 FGBDMO Cn1cc[nH+]c1C[C@H]1CCCN(c2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000413195620 499925478 /nfs/dbraw/zinc/92/54/78/499925478.db2.gz JKOODEUDWXOPHJ-CQSZACIVSA-N 1 1 351.410 3.336 20 5 FGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)n1 ZINC000429151745 500013840 /nfs/dbraw/zinc/01/38/40/500013840.db2.gz TZZIATLAMPFRGD-AWEZNQCLSA-N 1 1 352.847 3.311 20 5 FGBDMO CC(C)(C)[N@H+]1CCc2nc(NC(=O)Cc3ccccc3[N+](=O)[O-])sc2C1 ZINC000425084358 500015123 /nfs/dbraw/zinc/01/51/23/500015123.db2.gz RBMQNXQQFYWELG-UHFFFAOYSA-N 1 1 374.466 3.389 20 5 FGBDMO Cc1ccccc1C[C@@H](C)NC(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429252181 500035015 /nfs/dbraw/zinc/03/50/15/500035015.db2.gz GJQQQQCGCSYACS-MRXNPFEDSA-N 1 1 369.465 3.475 20 5 FGBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](CSC)C2)c([N+](=O)[O-])c1 ZINC000429271769 500039231 /nfs/dbraw/zinc/03/92/31/500039231.db2.gz BLSJSGAPBPTEMU-QWHCGFSZSA-N 1 1 367.471 3.005 20 5 FGBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](CSC)C2)c([N+](=O)[O-])c1 ZINC000429271769 500039234 /nfs/dbraw/zinc/03/92/34/500039234.db2.gz BLSJSGAPBPTEMU-QWHCGFSZSA-N 1 1 367.471 3.005 20 5 FGBDMO CC(C)([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1F ZINC000429277896 500040774 /nfs/dbraw/zinc/04/07/74/500040774.db2.gz WVTCGTZLESQKAQ-UHFFFAOYSA-N 1 1 357.385 3.148 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000421421750 500043521 /nfs/dbraw/zinc/04/35/21/500043521.db2.gz LINCCCSSRXABOM-QGZVFWFLSA-N 1 1 353.422 3.216 20 5 FGBDMO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1nc(-c3ccccn3)n[nH]1)CCCC2 ZINC000417351617 500046621 /nfs/dbraw/zinc/04/66/21/500046621.db2.gz SJDHEFAXRSBHEU-MRXNPFEDSA-N 1 1 364.409 3.332 20 5 FGBDMO C[C@@H]1CC[C@](CO)([N@@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425432351 500104520 /nfs/dbraw/zinc/10/45/20/500104520.db2.gz IAWVYFPPCYJCAT-ABAIWWIYSA-N 1 1 357.248 3.340 20 5 FGBDMO C[C@@H]1CC[C@@H]([N@@H+](CCO)Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425440741 500106512 /nfs/dbraw/zinc/10/65/12/500106512.db2.gz HDTPUZSIAVETMD-BXUZGUMPSA-N 1 1 357.248 3.340 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000425447196 500108745 /nfs/dbraw/zinc/10/87/45/500108745.db2.gz RJMSFFISIOHKJQ-OAHLLOKOSA-N 1 1 355.232 3.360 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000425447196 500108746 /nfs/dbraw/zinc/10/87/46/500108746.db2.gz RJMSFFISIOHKJQ-OAHLLOKOSA-N 1 1 355.232 3.360 20 5 FGBDMO C[N@H+]1CCC[C@]2(CCN(Cc3ccc(Br)cc3[N+](=O)[O-])C2)C1 ZINC000425480491 500118217 /nfs/dbraw/zinc/11/82/17/500118217.db2.gz OVEOSXBBSNIWCF-INIZCTEOSA-N 1 1 368.275 3.275 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425548643 500141860 /nfs/dbraw/zinc/14/18/60/500141860.db2.gz GPFVRWZNZSRVLW-KDOFPFPSSA-N 1 1 373.453 3.203 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425548643 500141863 /nfs/dbraw/zinc/14/18/63/500141863.db2.gz GPFVRWZNZSRVLW-KDOFPFPSSA-N 1 1 373.453 3.203 20 5 FGBDMO C[N@@H+](CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000429822135 500150445 /nfs/dbraw/zinc/15/04/45/500150445.db2.gz QJSRKMSZQNJDEN-UHFFFAOYSA-N 1 1 355.438 3.121 20 5 FGBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000570496299 506180521 /nfs/dbraw/zinc/18/05/21/506180521.db2.gz IGUBVNXVGABROA-HNNXBMFYSA-N 1 1 369.421 3.472 20 5 FGBDMO COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430203165 500208417 /nfs/dbraw/zinc/20/84/17/500208417.db2.gz NQOLTBQTLFESRQ-HNNXBMFYSA-N 1 1 372.421 3.415 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000430205651 500208687 /nfs/dbraw/zinc/20/86/87/500208687.db2.gz USRMIHHZAJCKIH-LJQANCHMSA-N 1 1 356.422 3.437 20 5 FGBDMO CN(C(=O)[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC000430293991 500223003 /nfs/dbraw/zinc/22/30/03/500223003.db2.gz NIZWIIAZYKDQFG-KRWDZBQOSA-N 1 1 353.422 3.122 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCSC[C@@H]1C1CCC1 ZINC000419375037 500358935 /nfs/dbraw/zinc/35/89/35/500358935.db2.gz PPAYRLKSAKOQKH-QGZVFWFLSA-N 1 1 363.483 3.449 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C(C)(C)CN1CCCC1 ZINC000419381373 500359587 /nfs/dbraw/zinc/35/95/87/500359587.db2.gz VSEPDOVHMAWKDV-UHFFFAOYSA-N 1 1 362.474 3.038 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C(C)(C)CN1CCCC1 ZINC000419381373 500359589 /nfs/dbraw/zinc/35/95/89/500359589.db2.gz VSEPDOVHMAWKDV-UHFFFAOYSA-N 1 1 362.474 3.038 20 5 FGBDMO CC(C)(NC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000431664556 500405270 /nfs/dbraw/zinc/40/52/70/500405270.db2.gz YNQAWLHZPZKRHD-OAHLLOKOSA-N 1 1 360.458 3.146 20 5 FGBDMO C[C@@H]1OCC[C@]1(O)C[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000570551682 506193928 /nfs/dbraw/zinc/19/39/28/506193928.db2.gz LZPNWVULRAKKCN-YWZLYKJASA-N 1 1 374.412 3.276 20 5 FGBDMO C[C@@H]1OCC[C@]1(O)C[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000570551682 506193932 /nfs/dbraw/zinc/19/39/32/506193932.db2.gz LZPNWVULRAKKCN-YWZLYKJASA-N 1 1 374.412 3.276 20 5 FGBDMO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427913883 500445031 /nfs/dbraw/zinc/44/50/31/500445031.db2.gz PDZISXIQFSZMBA-UHFFFAOYSA-N 1 1 357.410 3.071 20 5 FGBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427913883 500445033 /nfs/dbraw/zinc/44/50/33/500445033.db2.gz PDZISXIQFSZMBA-UHFFFAOYSA-N 1 1 357.410 3.071 20 5 FGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C(N)=O)[C@H](C)c1ccccc1 ZINC000428860715 500567146 /nfs/dbraw/zinc/56/71/46/500567146.db2.gz MSBPNVGSRDNLMU-AUUYWEPGSA-N 1 1 371.437 3.129 20 5 FGBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000437190238 500612557 /nfs/dbraw/zinc/61/25/57/500612557.db2.gz XIBZZIYFNGJMKH-LLVKDONJSA-N 1 1 359.348 3.075 20 5 FGBDMO COCCCN1CCC([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433167923 500638307 /nfs/dbraw/zinc/63/83/07/500638307.db2.gz KKILVTDFEZRYTN-LJQANCHMSA-N 1 1 361.486 3.408 20 5 FGBDMO CC(C)(C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000448282678 500743017 /nfs/dbraw/zinc/74/30/17/500743017.db2.gz VAYZWRSOIARYDV-HNAYVOBHSA-N 1 1 371.481 3.348 20 5 FGBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000438286853 500763407 /nfs/dbraw/zinc/76/34/07/500763407.db2.gz VAWFCHRZOKVUAT-HNNXBMFYSA-N 1 1 373.453 3.132 20 5 FGBDMO CN(C(=O)C[N@H+]1CC[C@@](C)(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000438495093 500793173 /nfs/dbraw/zinc/79/31/73/500793173.db2.gz FXBIZUWFWVTCNS-HXUWFJFHSA-N 1 1 353.422 3.221 20 5 FGBDMO CSc1cccc(C(=O)NCC[N@H+]2CCCC(C)(C)C2)c1[N+](=O)[O-] ZINC000444610090 500866457 /nfs/dbraw/zinc/86/64/57/500866457.db2.gz PILFJMZVXLYUMN-UHFFFAOYSA-N 1 1 351.472 3.169 20 5 FGBDMO CC1(C)CCC[N@@H+](CCNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000444616090 500867632 /nfs/dbraw/zinc/86/76/32/500867632.db2.gz BVMFQXHDKNGFJA-UHFFFAOYSA-N 1 1 373.375 3.465 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+](CCc3ccccc3)[C@@H]3CCOC3)nc2c1 ZINC000444637724 500871537 /nfs/dbraw/zinc/87/15/37/500871537.db2.gz HBHDKYQLMLJRCQ-QGZVFWFLSA-N 1 1 366.421 3.305 20 5 FGBDMO CC[C@H](O)C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccccc1 ZINC000444668895 500875915 /nfs/dbraw/zinc/87/59/15/500875915.db2.gz CIOAGFNWSJDCKB-INIZCTEOSA-N 1 1 354.410 3.244 20 5 FGBDMO CC[C@H](O)C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccccc1 ZINC000444668895 500875920 /nfs/dbraw/zinc/87/59/20/500875920.db2.gz CIOAGFNWSJDCKB-INIZCTEOSA-N 1 1 354.410 3.244 20 5 FGBDMO Cc1ccc([C@]2(C)CC[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000434743825 500887419 /nfs/dbraw/zinc/88/74/19/500887419.db2.gz BYXUXQLNGIQNPS-TZIWHRDSSA-N 1 1 370.449 3.307 20 5 FGBDMO C[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000611584699 506222808 /nfs/dbraw/zinc/22/28/08/506222808.db2.gz LCTPKOXMVZCKPH-KBPBESRZSA-N 1 1 370.453 3.459 20 5 FGBDMO Cc1c(NC(=O)NCC[N@H+](C)C(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000435334019 500956757 /nfs/dbraw/zinc/95/67/57/500956757.db2.gz VPKNWRUHFMBXDC-UHFFFAOYSA-N 1 1 373.251 3.127 20 5 FGBDMO CCOC(=O)c1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)[nH]c1C ZINC000449254146 500957957 /nfs/dbraw/zinc/95/79/57/500957957.db2.gz WZISAAHNAZQQSR-UHFFFAOYSA-N 1 1 351.790 3.351 20 5 FGBDMO COCC1(C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000449741577 501072294 /nfs/dbraw/zinc/07/22/94/501072294.db2.gz KZWLCXHGNGMDAS-QGZVFWFLSA-N 1 1 358.442 3.214 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000446102872 501075295 /nfs/dbraw/zinc/07/52/95/501075295.db2.gz KULJLLSKLNUDLR-RDJZCZTQSA-N 1 1 353.422 3.469 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000446233674 501092131 /nfs/dbraw/zinc/09/21/31/501092131.db2.gz KBXGOIQBSKSLHY-CQSZACIVSA-N 1 1 365.861 3.361 20 5 FGBDMO CCOC(=O)[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000441134989 501092579 /nfs/dbraw/zinc/09/25/79/501092579.db2.gz RAWDIDUKOUELAM-LJQANCHMSA-N 1 1 370.405 3.136 20 5 FGBDMO Cn1cc[nH+]c1C[C@@H]1CCCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450393824 501110637 /nfs/dbraw/zinc/11/06/37/501110637.db2.gz QIKPNZGEDLNWDA-AWEZNQCLSA-N 1 1 351.410 3.336 20 5 FGBDMO COc1cccc([C@H]2[C@@H](Nc3ccc([N+](=O)[O-])nc3)CC[N@H+]2C2CC2)c1 ZINC000450426015 501119542 /nfs/dbraw/zinc/11/95/42/501119542.db2.gz BMSXAYSNEMYRAH-HKUYNNGSSA-N 1 1 354.410 3.388 20 5 FGBDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000592780579 506242201 /nfs/dbraw/zinc/24/22/01/506242201.db2.gz JVEIZEFFJAYWMX-AWEZNQCLSA-N 1 1 356.426 3.496 20 5 FGBDMO O=[N+]([O-])c1cccc([C@@H](NC[C@@H]2CCCC[N@H+]2CCO)c2ccccc2)c1 ZINC000453270382 501303731 /nfs/dbraw/zinc/30/37/31/501303731.db2.gz SKNNAKXXIBHJGA-SFTDATJTSA-N 1 1 369.465 3.121 20 5 FGBDMO O=[N+]([O-])c1cccc([C@@H](NC[C@@H]2CCCC[N@@H+]2CCO)c2ccccc2)c1 ZINC000453270382 501303733 /nfs/dbraw/zinc/30/37/33/501303733.db2.gz SKNNAKXXIBHJGA-SFTDATJTSA-N 1 1 369.465 3.121 20 5 FGBDMO Cc1ccsc1CNC(=O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548433 501320239 /nfs/dbraw/zinc/32/02/39/501320239.db2.gz NDURRXAJCHDIIU-INIZCTEOSA-N 1 1 373.478 3.461 20 5 FGBDMO Cc1ccsc1CNC(=O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548433 501320242 /nfs/dbraw/zinc/32/02/42/501320242.db2.gz NDURRXAJCHDIIU-INIZCTEOSA-N 1 1 373.478 3.461 20 5 FGBDMO COc1ccc2nc(C[N@@H+]3CCC[C@H](c4ccc([N+](=O)[O-])cc4)C3)[nH]c2n1 ZINC000451549654 501320974 /nfs/dbraw/zinc/32/09/74/501320974.db2.gz PXIPDBHSEZLHCJ-AWEZNQCLSA-N 1 1 367.409 3.254 20 5 FGBDMO COc1ccc2nc(C[N@H+]3CCC[C@H](c4ccc([N+](=O)[O-])cc4)C3)[nH]c2n1 ZINC000451549654 501320977 /nfs/dbraw/zinc/32/09/77/501320977.db2.gz PXIPDBHSEZLHCJ-AWEZNQCLSA-N 1 1 367.409 3.254 20 5 FGBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](C[C@H](O)COc3ccccc3)C2)cc1 ZINC000451557837 501324128 /nfs/dbraw/zinc/32/41/28/501324128.db2.gz FKXRPMGOEZOVCE-HKUYNNGSSA-N 1 1 356.422 3.214 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@]4(CCSC4)C3)n2)cc1 ZINC000451962689 501409462 /nfs/dbraw/zinc/40/94/62/501409462.db2.gz FZEXKQJUXHVUFA-KRWDZBQOSA-N 1 1 360.439 3.364 20 5 FGBDMO CC(C)[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC(C)(C)C1 ZINC000452100256 501435166 /nfs/dbraw/zinc/43/51/66/501435166.db2.gz DMAJYXMCYYBSGR-UHFFFAOYSA-N 1 1 363.414 3.161 20 5 FGBDMO C[C@H](NC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000458888510 501553239 /nfs/dbraw/zinc/55/32/39/501553239.db2.gz LKMIQIKQIUGXFV-GOEBONIOSA-N 1 1 360.458 3.029 20 5 FGBDMO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C[N@H+]1C1CC1 ZINC000454651928 501601929 /nfs/dbraw/zinc/60/19/29/501601929.db2.gz HBMQJJYAEXHTRN-HYVNUMGLSA-N 1 1 372.469 3.109 20 5 FGBDMO C[N@H+]1CCC[C@@H](CCNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000459249411 501619159 /nfs/dbraw/zinc/61/91/59/501619159.db2.gz FDWQVRPXDDPKHW-NSHDSACASA-N 1 1 372.372 3.050 20 5 FGBDMO C[N@H+]1CCC[C@H](CCNC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000459313733 501629331 /nfs/dbraw/zinc/62/93/31/501629331.db2.gz ORLXJIXXGDULIX-SJLPKXTDSA-N 1 1 374.485 3.216 20 5 FGBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000457122661 501654475 /nfs/dbraw/zinc/65/44/75/501654475.db2.gz OWSRPJDAPRDFIU-HNNXBMFYSA-N 1 1 374.466 3.273 20 5 FGBDMO C[C@H]([NH2+][C@@H](C)c1nc2c(s1)CCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000459641499 501691812 /nfs/dbraw/zinc/69/18/12/501691812.db2.gz YMBWRCVRDDMBEZ-QWRGUYRKSA-N 1 1 360.439 3.218 20 5 FGBDMO COc1cc(CN2CC[NH+](Cc3cccs3)CC2)c([N+](=O)[O-])cc1F ZINC000463479259 501735449 /nfs/dbraw/zinc/73/54/49/501735449.db2.gz RBTCMDMYPSXMPM-UHFFFAOYSA-N 1 1 365.430 3.122 20 5 FGBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467218177 501741039 /nfs/dbraw/zinc/74/10/39/501741039.db2.gz NWXQIFPFOYHEEG-OLZOCXBDSA-N 1 1 368.865 3.168 20 5 FGBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[N@H+]1CCCC[C@@H]1C ZINC000485192777 501751551 /nfs/dbraw/zinc/75/15/51/501751551.db2.gz BLIITVWCLORTOM-RYUDHWBXSA-N 1 1 371.384 3.189 20 5 FGBDMO CC1([N@@H+](CCn2cc([N+](=O)[O-])cn2)Cc2ccc3c(c2)OCO3)CCCC1 ZINC000474269854 501768259 /nfs/dbraw/zinc/76/82/59/501768259.db2.gz MXOPMCYYDDPEOT-UHFFFAOYSA-N 1 1 372.425 3.355 20 5 FGBDMO CC(C)[N@H+]1CC[C@@H](Nc2c([N+](=O)[O-])ncn2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000485304694 501783503 /nfs/dbraw/zinc/78/35/03/501783503.db2.gz RCAJMSSWJXDVKG-CABCVRRESA-N 1 1 365.384 3.242 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000481603360 501829216 /nfs/dbraw/zinc/82/92/16/501829216.db2.gz BJUKGFRZKFJPAC-UHFFFAOYSA-N 1 1 374.412 3.312 20 5 FGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(O)(Cc3ccc(F)cc3)CC2)c(F)c1 ZINC000481605726 501830322 /nfs/dbraw/zinc/83/03/22/501830322.db2.gz GMYIZLXHSRVION-UHFFFAOYSA-N 1 1 362.376 3.443 20 5 FGBDMO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000460507013 501842557 /nfs/dbraw/zinc/84/25/57/501842557.db2.gz FGXPRJHVJGBZHM-LJQANCHMSA-N 1 1 367.449 3.166 20 5 FGBDMO C[N@H+]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](c2ccccc2)C1 ZINC000481791635 501884814 /nfs/dbraw/zinc/88/48/14/501884814.db2.gz FWURHZGGIXVLNM-SJLPKXTDSA-N 1 1 373.840 3.005 20 5 FGBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485689313 501902186 /nfs/dbraw/zinc/90/21/86/501902186.db2.gz IUHGQNHAIJFBIV-LBPRGKRZSA-N 1 1 371.384 3.143 20 5 FGBDMO Nc1ccc(N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)nc1[N+](=O)[O-] ZINC000596150516 506281399 /nfs/dbraw/zinc/28/13/99/506281399.db2.gz CJQMOBNINNRKQA-FQEVSTJZSA-N 1 1 367.453 3.065 20 5 FGBDMO COC(=O)c1cc(NCC[N@@H+](C)Cc2ccccc2)cc(C)c1[N+](=O)[O-] ZINC000474780603 501951092 /nfs/dbraw/zinc/95/10/92/501951092.db2.gz QEKPIUJNIMQBJY-UHFFFAOYSA-N 1 1 357.410 3.234 20 5 FGBDMO CCc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000471298259 501982493 /nfs/dbraw/zinc/98/24/93/501982493.db2.gz OIBPWDQXZAOAFN-CYBMUJFWSA-N 1 1 373.478 3.395 20 5 FGBDMO CCc1ccc(C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000471298259 501982498 /nfs/dbraw/zinc/98/24/98/501982498.db2.gz OIBPWDQXZAOAFN-CYBMUJFWSA-N 1 1 373.478 3.395 20 5 FGBDMO CC(C)N(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000592874567 506286155 /nfs/dbraw/zinc/28/61/55/506286155.db2.gz TVKHIBSPVKQTQV-INIZCTEOSA-N 1 1 356.426 3.048 20 5 FGBDMO C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(N)c2F)[C@@H]1c1ccc(F)c(F)c1 ZINC000485978188 502009058 /nfs/dbraw/zinc/00/90/58/502009058.db2.gz HPVOWVKHZHKPRK-GUYCJALGSA-N 1 1 366.343 3.452 20 5 FGBDMO C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(N)c2F)[C@@H]1c1ccc(F)c(F)c1 ZINC000485978188 502009059 /nfs/dbraw/zinc/00/90/59/502009059.db2.gz HPVOWVKHZHKPRK-GUYCJALGSA-N 1 1 366.343 3.452 20 5 FGBDMO COc1cccc2c(N3CCC(n4ccc([N+](=O)[O-])n4)CC3)cc(C)[nH+]c12 ZINC000485995479 502013729 /nfs/dbraw/zinc/01/37/29/502013729.db2.gz FBRBMSFRIVCHBF-UHFFFAOYSA-N 1 1 367.409 3.498 20 5 FGBDMO C[C@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@@H]1C ZINC000478644680 502042980 /nfs/dbraw/zinc/04/29/80/502042980.db2.gz UJYCHVKFYBXASO-ZNMIVQPWSA-N 1 1 365.499 3.455 20 5 FGBDMO COc1cc(N2CCN(c3cc(C)cc[nH+]3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596167304 506289936 /nfs/dbraw/zinc/28/99/36/506289936.db2.gz BJCNONXSYGJHJW-UHFFFAOYSA-N 1 1 362.817 3.287 20 5 FGBDMO Nc1ccc(N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)nc1[N+](=O)[O-] ZINC000596169139 506290882 /nfs/dbraw/zinc/29/08/82/506290882.db2.gz QWOXFNGDDDLQCP-AEFFLSMTSA-N 1 1 367.453 3.063 20 5 FGBDMO C[C@H](c1cccnc1)[NH+]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599046865 506291524 /nfs/dbraw/zinc/29/15/24/506291524.db2.gz SODROLZEXZUHQC-OAHLLOKOSA-N 1 1 363.421 3.421 20 5 FGBDMO COC(=O)c1cc(OCC[N@@H+](C)Cc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000468509367 502085314 /nfs/dbraw/zinc/08/53/14/502085314.db2.gz DHUNSIGOKMZVMB-UHFFFAOYSA-N 1 1 362.357 3.031 20 5 FGBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000479108081 502165386 /nfs/dbraw/zinc/16/53/86/502165386.db2.gz VAZIFXCHMXXTQG-INIZCTEOSA-N 1 1 369.421 3.249 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@H]3Cc3ccccc3)o2)cc1 ZINC000479118170 502169004 /nfs/dbraw/zinc/16/90/04/502169004.db2.gz DOAGOKGXXVTZGD-KRWDZBQOSA-N 1 1 350.378 3.462 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@H]3Cc3ccccc3)o2)cc1 ZINC000479118170 502169005 /nfs/dbraw/zinc/16/90/05/502169005.db2.gz DOAGOKGXXVTZGD-KRWDZBQOSA-N 1 1 350.378 3.462 20 5 FGBDMO CCOc1cc(N2CC[NH+](Cc3ccccc3OC)CC2)ccc1[N+](=O)[O-] ZINC000475493067 502189178 /nfs/dbraw/zinc/18/91/78/502189178.db2.gz DOOJELSSJYLZRI-UHFFFAOYSA-N 1 1 371.437 3.324 20 5 FGBDMO CCC[C@@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000596185614 506298652 /nfs/dbraw/zinc/29/86/52/506298652.db2.gz OGQHOCNHACUZJL-MRXNPFEDSA-N 1 1 356.426 3.186 20 5 FGBDMO CCn1cc(C[N@H+](CCO)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cn1 ZINC000475507940 502195267 /nfs/dbraw/zinc/19/52/67/502195267.db2.gz NPRPNYUJIGRBIJ-UHFFFAOYSA-N 1 1 370.409 3.066 20 5 FGBDMO CCn1cc(C[N@@H+](CCO)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cn1 ZINC000475507940 502195273 /nfs/dbraw/zinc/19/52/73/502195273.db2.gz NPRPNYUJIGRBIJ-UHFFFAOYSA-N 1 1 370.409 3.066 20 5 FGBDMO Cc1cc(N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461783338 502200866 /nfs/dbraw/zinc/20/08/66/502200866.db2.gz DRXTXZLNBOCDRW-NWDGAFQWSA-N 1 1 361.364 3.443 20 5 FGBDMO C[C@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000596188296 506299883 /nfs/dbraw/zinc/29/98/83/506299883.db2.gz VOBDUPGKHUPSQA-GOEBONIOSA-N 1 1 368.437 3.016 20 5 FGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000602797901 506304458 /nfs/dbraw/zinc/30/44/58/506304458.db2.gz RZUYSUWANWUFTM-OAHLLOKOSA-N 1 1 355.398 3.468 20 5 FGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000602797901 506304460 /nfs/dbraw/zinc/30/44/60/506304460.db2.gz RZUYSUWANWUFTM-OAHLLOKOSA-N 1 1 355.398 3.468 20 5 FGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000602807713 506306923 /nfs/dbraw/zinc/30/69/23/506306923.db2.gz KBXQBWKHBIFHQH-DLBZAZTESA-N 1 1 362.405 3.091 20 5 FGBDMO C[C@@H](CCN1CC[NH+](C)CC1)Nc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000472678549 502416966 /nfs/dbraw/zinc/41/69/66/502416966.db2.gz NAFGRWGBDITMAY-HNNXBMFYSA-N 1 1 364.490 3.210 20 5 FGBDMO CC[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1cc(F)cc(Br)c1 ZINC000602818221 506313212 /nfs/dbraw/zinc/31/32/12/506313212.db2.gz MDJIHRIWVBVYNK-CYBMUJFWSA-N 1 1 371.210 3.471 20 5 FGBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000480077465 502466081 /nfs/dbraw/zinc/46/60/81/502466081.db2.gz KYTCKODMITWJNZ-ZBFHGGJFSA-N 1 1 369.421 3.420 20 5 FGBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000480077465 502466084 /nfs/dbraw/zinc/46/60/84/502466084.db2.gz KYTCKODMITWJNZ-ZBFHGGJFSA-N 1 1 369.421 3.420 20 5 FGBDMO C[N@H+]1CCN(CCNc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1(C)C ZINC000596222364 506317227 /nfs/dbraw/zinc/31/72/27/506317227.db2.gz KKTPSVJIEIAEKQ-UHFFFAOYSA-N 1 1 360.380 3.052 20 5 FGBDMO CN1CC[N@H+](CCNc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1(C)C ZINC000596222364 506317236 /nfs/dbraw/zinc/31/72/36/506317236.db2.gz KKTPSVJIEIAEKQ-UHFFFAOYSA-N 1 1 360.380 3.052 20 5 FGBDMO CN1CC[N@@H+](CCNc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1(C)C ZINC000596222364 506317241 /nfs/dbraw/zinc/31/72/41/506317241.db2.gz KKTPSVJIEIAEKQ-UHFFFAOYSA-N 1 1 360.380 3.052 20 5 FGBDMO CCn1nc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c2ccccc21 ZINC000473149469 502529359 /nfs/dbraw/zinc/52/93/59/502529359.db2.gz UAPQKQNLBNYKKL-AWEZNQCLSA-N 1 1 366.425 3.046 20 5 FGBDMO CCn1nc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c2ccccc21 ZINC000473149469 502529363 /nfs/dbraw/zinc/52/93/63/502529363.db2.gz UAPQKQNLBNYKKL-AWEZNQCLSA-N 1 1 366.425 3.046 20 5 FGBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000462698363 502538099 /nfs/dbraw/zinc/53/80/99/502538099.db2.gz YBJCIBYKHUIPFH-LSDHHAIUSA-N 1 1 356.426 3.098 20 5 FGBDMO CCOCCC[N@H+]1CC[C@H](NCc2c(Cl)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000469769914 502538386 /nfs/dbraw/zinc/53/83/86/502538386.db2.gz RNWXPHXSBDYJAC-PBHICJAKSA-N 1 1 369.893 3.475 20 5 FGBDMO COc1ccc([C@@H](C)[N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000484562862 502670384 /nfs/dbraw/zinc/67/03/84/502670384.db2.gz BMFXLELELIMJJV-PBHICJAKSA-N 1 1 360.410 3.036 20 5 FGBDMO CCCC[N@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000470173170 502693897 /nfs/dbraw/zinc/69/38/97/502693897.db2.gz JBVBJELPSWQPNE-VHUCWBOISA-N 1 1 366.483 3.287 20 5 FGBDMO CCCC[N@@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000470173170 502693900 /nfs/dbraw/zinc/69/39/00/502693900.db2.gz JBVBJELPSWQPNE-VHUCWBOISA-N 1 1 366.483 3.287 20 5 FGBDMO COC(=O)Cc1ccc(NC[C@H]2CC[N@H+]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000599126450 506333214 /nfs/dbraw/zinc/33/32/14/506333214.db2.gz HFPIUCWUNPZXTL-MRXNPFEDSA-N 1 1 361.442 3.129 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@H](CO)[C@H]2C)cc1OC ZINC000488750395 502802656 /nfs/dbraw/zinc/80/26/56/502802656.db2.gz UDOROZLIKJYNRJ-RRFJBIMHSA-N 1 1 366.458 3.231 20 5 FGBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)c1 ZINC000463443419 502806320 /nfs/dbraw/zinc/80/63/20/502806320.db2.gz OHNXYABNTPUSMM-OAQYLSRUSA-N 1 1 370.449 3.291 20 5 FGBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000474154625 502815892 /nfs/dbraw/zinc/81/58/92/502815892.db2.gz SJBSSYMWXWLCLK-OAHLLOKOSA-N 1 1 370.453 3.277 20 5 FGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000602887963 506337542 /nfs/dbraw/zinc/33/75/42/506337542.db2.gz ZQKZIUFOILYQRD-UHFFFAOYSA-N 1 1 369.450 3.282 20 5 FGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000602887963 506337546 /nfs/dbraw/zinc/33/75/46/506337546.db2.gz ZQKZIUFOILYQRD-UHFFFAOYSA-N 1 1 369.450 3.282 20 5 FGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000602888816 506340240 /nfs/dbraw/zinc/34/02/40/506340240.db2.gz RRMOLRLYBAQWAC-MRXNPFEDSA-N 1 1 364.405 3.406 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(CCN2CCOCC2)CC1 ZINC000489226794 502905344 /nfs/dbraw/zinc/90/53/44/502905344.db2.gz RQUZIADLQSZDSP-QGZVFWFLSA-N 1 1 361.486 3.399 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](Cc2ccccc2)[C@H](C)CCO)c1 ZINC000593021307 506341375 /nfs/dbraw/zinc/34/13/75/506341375.db2.gz UVQBXOVDJNWYBJ-OAHLLOKOSA-N 1 1 372.421 3.155 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](Cc2ccccc2)[C@H](C)CCO)c1 ZINC000593021307 506341382 /nfs/dbraw/zinc/34/13/82/506341382.db2.gz UVQBXOVDJNWYBJ-OAHLLOKOSA-N 1 1 372.421 3.155 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCN(c2ccccc2F)CC1 ZINC000513386985 502922265 /nfs/dbraw/zinc/92/22/65/502922265.db2.gz SYSCXAVFYBZYAU-UHFFFAOYSA-N 1 1 359.401 3.455 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCN(c2ccccc2F)CC1 ZINC000513386985 502922268 /nfs/dbraw/zinc/92/22/68/502922268.db2.gz SYSCXAVFYBZYAU-UHFFFAOYSA-N 1 1 359.401 3.455 20 5 FGBDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000497393849 502947427 /nfs/dbraw/zinc/94/74/27/502947427.db2.gz TXIAROHYWNEABW-LSDHHAIUSA-N 1 1 363.458 3.120 20 5 FGBDMO CC[N@H+]1C[C@H](C)N(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C ZINC000497535060 502982256 /nfs/dbraw/zinc/98/22/56/502982256.db2.gz SZUDDBMKIPELTO-CABCVRRESA-N 1 1 355.442 3.279 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CC2CCCCCC2)CC1 ZINC000509768011 502982999 /nfs/dbraw/zinc/98/29/99/502982999.db2.gz XMAMCNQIXXSCGB-UHFFFAOYSA-N 1 1 351.472 3.385 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000501558087 503038381 /nfs/dbraw/zinc/03/83/81/503038381.db2.gz BIFUADAOMMPUFA-UHFFFAOYSA-N 1 1 364.446 3.380 20 5 FGBDMO C[C@@H](NC(=O)N1CC[N@H+]([C@H]2C[C@@H]2C)C[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000489914080 503063882 /nfs/dbraw/zinc/06/38/82/503063882.db2.gz PCXCGKRZIVMPNO-AFIMGQEJSA-N 1 1 360.458 3.028 20 5 FGBDMO COc1cc(C[N@@H+](CCO)[C@H]2CCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000490007296 503088462 /nfs/dbraw/zinc/08/84/62/503088462.db2.gz UXVZUTDREWHETK-SFHVURJKSA-N 1 1 356.422 3.475 20 5 FGBDMO COc1cc(C[N@@H+](CCCO)[C@H]2CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000490091768 503107375 /nfs/dbraw/zinc/10/73/75/503107375.db2.gz UHLIDOVEHOXFRL-SFHVURJKSA-N 1 1 356.422 3.475 20 5 FGBDMO CCN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000501955239 503115901 /nfs/dbraw/zinc/11/59/01/503115901.db2.gz KSTNDTYKGVJGPB-GOEBONIOSA-N 1 1 356.426 3.221 20 5 FGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000510950941 503223673 /nfs/dbraw/zinc/22/36/73/503223673.db2.gz MEDFIHPQDALFEU-OLZOCXBDSA-N 1 1 373.375 3.436 20 5 FGBDMO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511060148 503243659 /nfs/dbraw/zinc/24/36/59/503243659.db2.gz QIRLYGJPBWOLLU-MRXNPFEDSA-N 1 1 355.438 3.289 20 5 FGBDMO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511060148 503243663 /nfs/dbraw/zinc/24/36/63/503243663.db2.gz QIRLYGJPBWOLLU-MRXNPFEDSA-N 1 1 355.438 3.289 20 5 FGBDMO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000511061036 503245109 /nfs/dbraw/zinc/24/51/09/503245109.db2.gz WYRXSZKDOCPDDD-SFHVURJKSA-N 1 1 358.438 3.126 20 5 FGBDMO O=[N+]([O-])c1cnn(CC[N@H+](Cc2ccc(F)cc2Cl)CC2CC2)c1 ZINC000511068318 503245768 /nfs/dbraw/zinc/24/57/68/503245768.db2.gz ZQFNGFRUKSDIDW-UHFFFAOYSA-N 1 1 352.797 3.496 20 5 FGBDMO C[C@@H](NC(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000511093101 503252114 /nfs/dbraw/zinc/25/21/14/503252114.db2.gz BXJGTHVHFWBKAS-CQSZACIVSA-N 1 1 359.401 3.086 20 5 FGBDMO C[C@@H](NC(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000511093101 503252116 /nfs/dbraw/zinc/25/21/16/503252116.db2.gz BXJGTHVHFWBKAS-CQSZACIVSA-N 1 1 359.401 3.086 20 5 FGBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])[C@H]1CCN(c2ccccc2F)C1=O ZINC000511094725 503253247 /nfs/dbraw/zinc/25/32/47/503253247.db2.gz TYRUBUUBAHYZAM-SFHVURJKSA-N 1 1 357.385 3.014 20 5 FGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])[C@H]1CCN(c2ccccc2F)C1=O ZINC000511094725 503253249 /nfs/dbraw/zinc/25/32/49/503253249.db2.gz TYRUBUUBAHYZAM-SFHVURJKSA-N 1 1 357.385 3.014 20 5 FGBDMO C[C@H](CNC(=O)[C@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000511141262 503266832 /nfs/dbraw/zinc/26/68/32/503266832.db2.gz VGITZCZOYJYETK-SJORKVTESA-N 1 1 369.465 3.378 20 5 FGBDMO C[C@H](CNC(=O)[C@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000511141262 503266834 /nfs/dbraw/zinc/26/68/34/503266834.db2.gz VGITZCZOYJYETK-SJORKVTESA-N 1 1 369.465 3.378 20 5 FGBDMO C[C@H](NC(=O)[C@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000511139755 503267092 /nfs/dbraw/zinc/26/70/92/503267092.db2.gz IHRKYGVQGWXUPQ-GJZGRUSLSA-N 1 1 373.428 3.474 20 5 FGBDMO C[C@H](NC(=O)[C@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000511139755 503267096 /nfs/dbraw/zinc/26/70/96/503267096.db2.gz IHRKYGVQGWXUPQ-GJZGRUSLSA-N 1 1 373.428 3.474 20 5 FGBDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000491181561 503282138 /nfs/dbraw/zinc/28/21/38/503282138.db2.gz FJWZJSSVIQAEGP-DZGCQCFKSA-N 1 1 351.422 3.251 20 5 FGBDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000491181561 503282140 /nfs/dbraw/zinc/28/21/40/503282140.db2.gz FJWZJSSVIQAEGP-DZGCQCFKSA-N 1 1 351.422 3.251 20 5 FGBDMO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507375948 503289038 /nfs/dbraw/zinc/28/90/38/503289038.db2.gz AIZFIZAXKXZTTE-UHFFFAOYSA-N 1 1 355.394 3.191 20 5 FGBDMO Cc1cc(F)cc2c1C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000502922775 503308504 /nfs/dbraw/zinc/30/85/04/503308504.db2.gz BCONVYKVAIAUDE-UHFFFAOYSA-N 1 1 357.385 3.429 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cc(-c4ccccc4)on3)C2)nc1 ZINC000503161233 503358054 /nfs/dbraw/zinc/35/80/54/503358054.db2.gz KCCRJAJATXGFSD-OAHLLOKOSA-N 1 1 365.393 3.331 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cc(-c4ccccc4)on3)C2)nc1 ZINC000503161233 503358060 /nfs/dbraw/zinc/35/80/60/503358060.db2.gz KCCRJAJATXGFSD-OAHLLOKOSA-N 1 1 365.393 3.331 20 5 FGBDMO Cc1nn(C)c(NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000511647030 503360910 /nfs/dbraw/zinc/36/09/10/503360910.db2.gz OLWVWSFYLNUTCA-RHSMWYFYSA-N 1 1 357.458 3.349 20 5 FGBDMO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000503208432 503367840 /nfs/dbraw/zinc/36/78/40/503367840.db2.gz LAADWFMNYKTRHY-INIZCTEOSA-N 1 1 371.437 3.125 20 5 FGBDMO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000503208432 503367843 /nfs/dbraw/zinc/36/78/43/503367843.db2.gz LAADWFMNYKTRHY-INIZCTEOSA-N 1 1 371.437 3.125 20 5 FGBDMO CCOc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H](O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000492582190 503375426 /nfs/dbraw/zinc/37/54/26/503375426.db2.gz KGMFMRJIWSTSAF-UKRRQHHQSA-N 1 1 362.348 3.271 20 5 FGBDMO CCOc1cc(C[N@H+]2CCCC[C@@H]2[C@@H](O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000492582190 503375429 /nfs/dbraw/zinc/37/54/29/503375429.db2.gz KGMFMRJIWSTSAF-UKRRQHHQSA-N 1 1 362.348 3.271 20 5 FGBDMO C[C@H]([NH2+][C@@H]1CCC[C@H]1OC(F)F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000503399884 503401169 /nfs/dbraw/zinc/40/11/69/503401169.db2.gz BVGMSBFTPIGWCG-ZWKOPEQDSA-N 1 1 368.340 3.456 20 5 FGBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000499680861 503456129 /nfs/dbraw/zinc/45/61/29/503456129.db2.gz IZVLJSPGWUSOEO-CQSZACIVSA-N 1 1 351.472 3.311 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000512203881 503485007 /nfs/dbraw/zinc/48/50/07/503485007.db2.gz RHHZNSCJUCZGAI-UHFFFAOYSA-N 1 1 368.393 3.328 20 5 FGBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000516518697 503525753 /nfs/dbraw/zinc/52/57/53/503525753.db2.gz BEJAVCHWCDVOMA-NSHDSACASA-N 1 1 372.263 3.208 20 5 FGBDMO C[C@@]1(c2ccccc2)CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000500184790 503573768 /nfs/dbraw/zinc/57/37/68/503573768.db2.gz WMZOHEDEWIDHIB-PZJWPPBQSA-N 1 1 370.449 3.388 20 5 FGBDMO CCn1cc(C[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C(C)C)cn1 ZINC000593078671 506380428 /nfs/dbraw/zinc/38/04/28/506380428.db2.gz BOPFOWLXXRMAMF-UHFFFAOYSA-N 1 1 362.430 3.109 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000494662289 503586742 /nfs/dbraw/zinc/58/67/42/503586742.db2.gz RTUCJZXGSXAMFJ-GDBMZVCRSA-N 1 1 369.421 3.169 20 5 FGBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000500425235 503621480 /nfs/dbraw/zinc/62/14/80/503621480.db2.gz NMWGTTIBZKXXFN-CABCVRRESA-N 1 1 368.437 3.033 20 5 FGBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000500425235 503621484 /nfs/dbraw/zinc/62/14/84/503621484.db2.gz NMWGTTIBZKXXFN-CABCVRRESA-N 1 1 368.437 3.033 20 5 FGBDMO Cc1cc(C)cc([C@@H]2CC[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)c1 ZINC000543246753 503698040 /nfs/dbraw/zinc/69/80/40/503698040.db2.gz ONDSULLHGRVRSB-IEBWSBKVSA-N 1 1 370.449 3.441 20 5 FGBDMO Cc1cccc([C@@H]2CC[N@H+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000543247009 503698283 /nfs/dbraw/zinc/69/82/83/503698283.db2.gz ITNALRJOOVAOHS-QGZVFWFLSA-N 1 1 353.422 3.356 20 5 FGBDMO C[C@H](C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21)c1ccc([N+](=O)[O-])cc1F ZINC000543458931 503780385 /nfs/dbraw/zinc/78/03/85/503780385.db2.gz KKXUHUGBMBOVJO-KPZWWZAWSA-N 1 1 357.385 3.140 20 5 FGBDMO C[C@H](C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21)c1ccc([N+](=O)[O-])cc1F ZINC000543458931 503780387 /nfs/dbraw/zinc/78/03/87/503780387.db2.gz KKXUHUGBMBOVJO-KPZWWZAWSA-N 1 1 357.385 3.140 20 5 FGBDMO C[C@H](CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@H]1C ZINC000540545571 503812377 /nfs/dbraw/zinc/81/23/77/503812377.db2.gz SVAARMGVKLRUEG-HZPDHXFCSA-N 1 1 371.485 3.348 20 5 FGBDMO C[C@H](CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@H]1C ZINC000540545571 503812383 /nfs/dbraw/zinc/81/23/83/503812383.db2.gz SVAARMGVKLRUEG-HZPDHXFCSA-N 1 1 371.485 3.348 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000537522798 503943178 /nfs/dbraw/zinc/94/31/78/503943178.db2.gz DBIUTTQNWXHPSJ-GOSISDBHSA-N 1 1 361.442 3.123 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000518363816 503963738 /nfs/dbraw/zinc/96/37/38/503963738.db2.gz BFYPAAKPCRQQCS-UHFFFAOYSA-N 1 1 355.232 3.360 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCC2(C1)CCOCC2 ZINC000518363816 503963740 /nfs/dbraw/zinc/96/37/40/503963740.db2.gz BFYPAAKPCRQQCS-UHFFFAOYSA-N 1 1 355.232 3.360 20 5 FGBDMO C[N@@H+](CCCNC(=O)CSc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000544053995 503988151 /nfs/dbraw/zinc/98/81/51/503988151.db2.gz UAYJNYYKBIJLTR-UHFFFAOYSA-N 1 1 373.478 3.325 20 5 FGBDMO Cc1ccc(C[C@H]2CCC[N@H+]2C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000544143755 504025784 /nfs/dbraw/zinc/02/57/84/504025784.db2.gz JEDNRYMZMHRIDH-RTBURBONSA-N 1 1 370.449 3.350 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000518791612 504065016 /nfs/dbraw/zinc/06/50/16/504065016.db2.gz LOMGXZAGGZFMFN-CQSZACIVSA-N 1 1 358.442 3.461 20 5 FGBDMO Cc1[nH+]ccn1CCCN(C)c1ncc([N+](=O)[O-])c(C)c1Br ZINC000544395900 504117324 /nfs/dbraw/zinc/11/73/24/504117324.db2.gz RPEGUYWLBPPRCD-UHFFFAOYSA-N 1 1 368.235 3.092 20 5 FGBDMO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1cccc(OCc2ccccn2)c1 ZINC000538154701 504148054 /nfs/dbraw/zinc/14/80/54/504148054.db2.gz GYSLESMSBVMNHR-CQSZACIVSA-N 1 1 367.409 3.153 20 5 FGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H]2Cn2cnc3ccccc32)c1 ZINC000534581334 504182282 /nfs/dbraw/zinc/18/22/82/504182282.db2.gz GZXUMHAOORVNAD-KRWDZBQOSA-N 1 1 366.421 3.488 20 5 FGBDMO C[N@@H+](CCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21)Cc1ccc(F)cc1 ZINC000534981789 504301367 /nfs/dbraw/zinc/30/13/67/504301367.db2.gz PKPZRUCNALUAFA-UHFFFAOYSA-N 1 1 370.384 3.077 20 5 FGBDMO CCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000544942658 504307091 /nfs/dbraw/zinc/30/70/91/504307091.db2.gz DILVGYNNUYWEBR-KRWDZBQOSA-N 1 1 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ZINC000609513116 506905752 /nfs/dbraw/zinc/90/57/52/506905752.db2.gz YHZUSNKMAGJWLP-CYBMUJFWSA-N 1 1 367.812 3.197 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000609631607 506954052 /nfs/dbraw/zinc/95/40/52/506954052.db2.gz GDZXTOGMNINWSO-LXZKKBNFSA-N 1 1 361.442 3.443 20 5 FGBDMO Cc1ccc([C@H]2CCC[N@@H+]2[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)o1 ZINC000609706027 506978431 /nfs/dbraw/zinc/97/84/31/506978431.db2.gz MJRDVMOLLXJDBT-IAGOWNOFSA-N 1 1 355.394 3.439 20 5 FGBDMO Cc1ccc([C@H]2CCC[N@H+]2[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)o1 ZINC000609706027 506978438 /nfs/dbraw/zinc/97/84/38/506978438.db2.gz MJRDVMOLLXJDBT-IAGOWNOFSA-N 1 1 355.394 3.439 20 5 FGBDMO C[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000609860802 507028337 /nfs/dbraw/zinc/02/83/37/507028337.db2.gz RASNWRMSUXYCGX-ZDUSSCGKSA-N 1 1 361.829 3.499 20 5 FGBDMO C[NH+](C)C1CCC2(CC1)CCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CC2 ZINC000597704292 507066854 /nfs/dbraw/zinc/06/68/54/507066854.db2.gz RMRHIRHVARMZMO-UHFFFAOYSA-N 1 1 361.442 3.027 20 5 FGBDMO C[C@]12CCC[N@H+]1C[C@H](c1noc(-c3ccc(Cl)cc3[N+](=O)[O-])n1)OC2 ZINC000583961340 507072314 /nfs/dbraw/zinc/07/23/14/507072314.db2.gz VZLQHAKKHTUAJW-CZUORRHYSA-N 1 1 364.789 3.224 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000597859067 507137545 /nfs/dbraw/zinc/13/75/45/507137545.db2.gz RHPWSAAJWQPASX-SNVBAGLBSA-N 1 1 359.348 3.216 20 5 FGBDMO COC[C@H](CC(C)(C)C)[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000594520220 507168190 /nfs/dbraw/zinc/16/81/90/507168190.db2.gz IYFAUHNKAWBTOM-DOTOQJQBSA-N 1 1 360.458 3.459 20 5 FGBDMO COC[C@@H](CC(C)(C)C)[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000594520226 507169193 /nfs/dbraw/zinc/16/91/93/507169193.db2.gz IYFAUHNKAWBTOM-WBVHZDCISA-N 1 1 360.458 3.459 20 5 FGBDMO COc1cccc(-c2nc(CCCCn3c[nH+]c(C)c3C)no2)c1[N+](=O)[O-] ZINC000594534001 507175077 /nfs/dbraw/zinc/17/50/77/507175077.db2.gz DTYQZFVKCZBBKW-UHFFFAOYSA-N 1 1 371.397 3.490 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1CS(=O)(=O)Cc1c(C)cc(C)[nH+]c1C ZINC000600942295 507201979 /nfs/dbraw/zinc/20/19/79/507201979.db2.gz YXXJKDKODANJBK-UHFFFAOYSA-N 1 1 364.423 3.039 20 5 FGBDMO COc1ccc(OCC[N@H+]2CCCO[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000610368740 507217787 /nfs/dbraw/zinc/21/77/87/507217787.db2.gz IESSUNGZGJEPRF-HXUWFJFHSA-N 1 1 372.421 3.446 20 5 FGBDMO Cc1cc(C)cc(OCC[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000610391351 507223088 /nfs/dbraw/zinc/22/30/88/507223088.db2.gz WWYNUIYHCCCORR-MRXNPFEDSA-N 1 1 356.426 3.172 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000610390117 507224379 /nfs/dbraw/zinc/22/43/79/507224379.db2.gz OKEXQVLFWZKYTR-GOSISDBHSA-N 1 1 355.394 3.384 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000610390117 507224384 /nfs/dbraw/zinc/22/43/84/507224384.db2.gz OKEXQVLFWZKYTR-GOSISDBHSA-N 1 1 355.394 3.384 20 5 FGBDMO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CNCC[C@@H]1c1cccc(F)c1 ZINC000594739860 507262890 /nfs/dbraw/zinc/26/28/90/507262890.db2.gz ZUQFOIAPTFDGQV-LVLPYEQSSA-N 1 1 355.413 3.482 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)C(=O)NCCc1ccccc1 ZINC000595050745 507368161 /nfs/dbraw/zinc/36/81/61/507368161.db2.gz KDQCNFPJHBSKMK-HUUCEWRRSA-N 1 1 371.437 3.001 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](CCC)C1 ZINC000598341893 507384858 /nfs/dbraw/zinc/38/48/58/507384858.db2.gz HWAISLCOHVKONK-ZDUSSCGKSA-N 1 1 351.472 3.311 20 5 FGBDMO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601673867 507423131 /nfs/dbraw/zinc/42/31/31/507423131.db2.gz BMKLWYKBIZUKPN-KRWDZBQOSA-N 1 1 371.481 3.255 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000595331554 507461879 /nfs/dbraw/zinc/46/18/79/507461879.db2.gz XDZUECUZWVOECN-CALCHBBNSA-N 1 1 361.486 3.416 20 5 FGBDMO Cc1noc(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595341533 507465870 /nfs/dbraw/zinc/46/58/70/507465870.db2.gz CEKCASPLQUFWSP-WMLDXEAASA-N 1 1 358.442 3.376 20 5 FGBDMO CSc1ccc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000598509172 507466673 /nfs/dbraw/zinc/46/66/73/507466673.db2.gz JIRPSRCOHMNUOG-MRXNPFEDSA-N 1 1 371.462 3.321 20 5 FGBDMO CSc1ccc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000598509172 507466678 /nfs/dbraw/zinc/46/66/78/507466678.db2.gz JIRPSRCOHMNUOG-MRXNPFEDSA-N 1 1 371.462 3.321 20 5 FGBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000598561302 507488044 /nfs/dbraw/zinc/48/80/44/507488044.db2.gz PQAUKGHHJCRCRS-OALUTQOASA-N 1 1 373.497 3.402 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[N@H+](CCc1cccnc1)[C@H]1CC[C@H](O)CC1 ZINC000592132752 507498142 /nfs/dbraw/zinc/49/81/42/507498142.db2.gz NOVPZPOBEGGVKO-WGSAOQKQSA-N 1 1 355.438 3.338 20 5 FGBDMO C[C@H]1CC2(C[N@H+]1Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CCOCC2 ZINC000592182162 507526173 /nfs/dbraw/zinc/52/61/73/507526173.db2.gz KVSWRSCSEHZACP-ZDUSSCGKSA-N 1 1 358.398 3.036 20 5 FGBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCCC[C@@H]2C2CCC2)cc1 ZINC000592200095 507534306 /nfs/dbraw/zinc/53/43/06/507534306.db2.gz WEXAJXZRZAVZCT-QGZVFWFLSA-N 1 1 352.456 3.023 20 5 FGBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCCC[C@@H]2C2CCC2)cc1 ZINC000592200095 507534316 /nfs/dbraw/zinc/53/43/16/507534316.db2.gz WEXAJXZRZAVZCT-QGZVFWFLSA-N 1 1 352.456 3.023 20 5 FGBDMO Cc1noc(C[N@@H+]2CCC[C@H](CCC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000595540093 507550144 /nfs/dbraw/zinc/55/01/44/507550144.db2.gz HKPBKIDRFIKLJC-CYBMUJFWSA-N 1 1 353.419 3.225 20 5 FGBDMO Cc1noc(C[N@H+]2CCC[C@H](CCC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000595540093 507550151 /nfs/dbraw/zinc/55/01/51/507550151.db2.gz HKPBKIDRFIKLJC-CYBMUJFWSA-N 1 1 353.419 3.225 20 5 FGBDMO Cc1ccccc1C[N@@H+]1CCCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000611254117 507580947 /nfs/dbraw/zinc/58/09/47/507580947.db2.gz ZPVOKAPIOYCNKF-UHFFFAOYSA-N 1 1 355.438 3.317 20 5 FGBDMO Cc1ccccc1C[N@H+]1CCCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000611254117 507580953 /nfs/dbraw/zinc/58/09/53/507580953.db2.gz ZPVOKAPIOYCNKF-UHFFFAOYSA-N 1 1 355.438 3.317 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(c2cccnc2)CC1 ZINC000611258663 507586188 /nfs/dbraw/zinc/58/61/88/507586188.db2.gz BXLMAJKPYPJDIO-CQSZACIVSA-N 1 1 354.410 3.196 20 5 FGBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(C)(C)c1ccccc1 ZINC000585754298 507615744 /nfs/dbraw/zinc/61/57/44/507615744.db2.gz GKARBRUTWNRVTI-UHFFFAOYSA-N 1 1 353.422 3.351 20 5 FGBDMO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1ccc2cn[nH]c2c1 ZINC000585765580 507620200 /nfs/dbraw/zinc/62/02/00/507620200.db2.gz VHGUOLYCOWQVBN-ZDUSSCGKSA-N 1 1 367.409 3.021 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000595728115 507650177 /nfs/dbraw/zinc/65/01/77/507650177.db2.gz JETQJCSOODIBEF-XHSDSOJGSA-N 1 1 350.390 3.288 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@H](c4ccccc4)[C@H](CO)C3)nc2c1 ZINC000595746590 507661221 /nfs/dbraw/zinc/66/12/21/507661221.db2.gz DVMUHFKOUPJAEE-DOTOQJQBSA-N 1 1 366.421 3.069 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@H](c4ccccc4)[C@H](CO)C3)nc2c1 ZINC000595746590 507661224 /nfs/dbraw/zinc/66/12/24/507661224.db2.gz DVMUHFKOUPJAEE-DOTOQJQBSA-N 1 1 366.421 3.069 20 5 FGBDMO CN(c1ccccc1)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000595826737 507703062 /nfs/dbraw/zinc/70/30/62/507703062.db2.gz OOXRYIVVYOLFMM-GOSISDBHSA-N 1 1 369.421 3.172 20 5 FGBDMO CC[N@H+](Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000611518076 507717712 /nfs/dbraw/zinc/71/77/12/507717712.db2.gz NLPFZWFEBSQTNH-GFCCVEGCSA-N 1 1 374.384 3.106 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@H]3CCN(c4ccccc4)C3)C2)nc1 ZINC000602472102 507718008 /nfs/dbraw/zinc/71/80/08/507718008.db2.gz GQAQNTAJEOVFPU-SJORKVTESA-N 1 1 367.453 3.003 20 5 FGBDMO O=[N+]([O-])c1sc(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cc1Br ZINC000602479091 507720909 /nfs/dbraw/zinc/72/09/09/507720909.db2.gz DTCXGEBCHPZXEP-NXEZZACHSA-N 1 1 361.261 3.277 20 5 FGBDMO O=[N+]([O-])c1sc(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cc1Br ZINC000602479091 507720910 /nfs/dbraw/zinc/72/09/10/507720910.db2.gz DTCXGEBCHPZXEP-NXEZZACHSA-N 1 1 361.261 3.277 20 5 FGBDMO C[C@@]1(CNc2cc(N)c([N+](=O)[O-])c(CO)c2)CCC[N@H+]1Cc1ccccc1 ZINC000588022973 507737695 /nfs/dbraw/zinc/73/76/95/507737695.db2.gz DLVXYGWOKTUWKI-FQEVSTJZSA-N 1 1 370.453 3.136 20 5 FGBDMO CCO[C@@H]1C[C@H]([NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000611560938 507741104 /nfs/dbraw/zinc/74/11/04/507741104.db2.gz PZFWMWDZGLKXJB-KSZLIROESA-N 1 1 370.453 3.355 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826497584 608531501 /nfs/dbraw/zinc/53/15/01/608531501.db2.gz MKVBYSHPHVATLL-UHFFFAOYSA-N 1 1 370.800 3.207 20 5 FGBDMO Cc1cc(F)cc(C(=O)NCCC[N@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000122435879 700689798 /nfs/dbraw/zinc/68/97/98/700689798.db2.gz OBOQDFULBFFERX-UHFFFAOYSA-N 1 1 351.422 3.427 20 5 FGBDMO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@H]1CCCCNC1=O ZINC000123898613 700711668 /nfs/dbraw/zinc/71/16/68/700711668.db2.gz WCGLBXRVNYCOJC-INIZCTEOSA-N 1 1 359.451 3.424 20 5 FGBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000136805842 704864730 /nfs/dbraw/zinc/86/47/30/704864730.db2.gz SRUFAILHQHLEQZ-GOSISDBHSA-N 1 1 361.829 3.104 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H](O)c3cccc(Cl)c3)CC2)cc1 ZINC000174652198 705513134 /nfs/dbraw/zinc/51/31/34/705513134.db2.gz DVOPPPRBFMTDLP-SFHVURJKSA-N 1 1 361.829 3.104 20 5 FGBDMO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000174836824 705522389 /nfs/dbraw/zinc/52/23/89/705522389.db2.gz QRSMPQBPXWMGJE-CYBMUJFWSA-N 1 1 353.850 3.377 20 5 FGBDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000174836824 705522393 /nfs/dbraw/zinc/52/23/93/705522393.db2.gz QRSMPQBPXWMGJE-CYBMUJFWSA-N 1 1 353.850 3.377 20 5 FGBDMO COc1ccc(Cl)cc1C[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178567825 705669702 /nfs/dbraw/zinc/66/97/02/705669702.db2.gz SQZMQUHFRIAZCB-MRXNPFEDSA-N 1 1 350.802 3.422 20 5 FGBDMO CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000195464377 713557212 /nfs/dbraw/zinc/55/72/12/713557212.db2.gz ZYKQNQHVNZAGHH-CYBMUJFWSA-N 1 1 351.422 3.107 20 5 FGBDMO Cc1ncc(C[N@@H+]2CC[C@@H](Nc3ncc([N+](=O)[O-])s3)[C@H](C)C2)s1 ZINC000374424217 713921571 /nfs/dbraw/zinc/92/15/71/713921571.db2.gz PLYDZNMFJUPUBK-BXKDBHETSA-N 1 1 353.473 3.139 20 5 FGBDMO Cc1ncc(C[N@H+]2CC[C@@H](Nc3ncc([N+](=O)[O-])s3)[C@H](C)C2)s1 ZINC000374424217 713921572 /nfs/dbraw/zinc/92/15/72/713921572.db2.gz PLYDZNMFJUPUBK-BXKDBHETSA-N 1 1 353.473 3.139 20 5 FGBDMO Cc1noc(C2(C)CC[NH+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)n1 ZINC000374744251 713942143 /nfs/dbraw/zinc/94/21/43/713942143.db2.gz QSSIIJAJUPLLFK-UHFFFAOYSA-N 1 1 350.806 3.493 20 5 FGBDMO O=C(Nc1nccs1)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000374876746 713950220 /nfs/dbraw/zinc/95/02/20/713950220.db2.gz KQHUYRSLAIUDPF-GFCCVEGCSA-N 1 1 364.402 3.041 20 5 FGBDMO O=C(Nc1nccs1)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000374876746 713950222 /nfs/dbraw/zinc/95/02/22/713950222.db2.gz KQHUYRSLAIUDPF-GFCCVEGCSA-N 1 1 364.402 3.041 20 5 FGBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1c[nH+]ccc1-n1cccn1 ZINC000522721710 714202858 /nfs/dbraw/zinc/20/28/58/714202858.db2.gz WIEVXHAKWHZDQM-UHFFFAOYSA-N 1 1 357.757 3.010 20 5 FGBDMO Cc1ccc(N[C@H]2CCn3cc[nH+]c3C2)c([N+](=O)[O-])c1Br ZINC000804623541 724535055 /nfs/dbraw/zinc/53/50/55/724535055.db2.gz BSTVJCKCNKSCJV-JTQLQIEISA-N 1 1 351.204 3.289 20 5 FGBDMO Nc1ccc(NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000804649847 724536586 /nfs/dbraw/zinc/53/65/86/724536586.db2.gz PGVIWUIAHFGGFA-MRXNPFEDSA-N 1 1 358.467 3.207 20 5 FGBDMO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164626459 719055142 /nfs/dbraw/zinc/05/51/42/719055142.db2.gz RJKKXEHZPJVIQD-PKOBYXMFSA-N 1 1 352.438 3.399 20 5 FGBDMO Cc1ccnc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1[N+](=O)[O-] ZINC001164622794 719064931 /nfs/dbraw/zinc/06/49/31/719064931.db2.gz IUFUPTWYQAPZKZ-ROUUACIJSA-N 1 1 352.438 3.399 20 5 FGBDMO O=[N+]([O-])c1cc(C(F)(F)N2CC3(C2)CC[N@@H+](CC2CC2)C3)cnc1Cl ZINC001164766348 721278950 /nfs/dbraw/zinc/27/89/50/721278950.db2.gz DUICTNXCYWRCEH-UHFFFAOYSA-N 1 1 372.803 3.110 20 5 FGBDMO O=C([C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1)N1CCCC1 ZINC000783566598 724765764 /nfs/dbraw/zinc/76/57/64/724765764.db2.gz IQDNPKQSJDMCIH-AWEZNQCLSA-N 1 1 351.834 3.083 20 5 FGBDMO Cc1ccnc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1[N+](=O)[O-] ZINC001164953200 722014412 /nfs/dbraw/zinc/01/44/12/722014412.db2.gz STIYLWZZIHFUIB-UHFFFAOYSA-N 1 1 367.453 3.186 20 5 FGBDMO C[C@@H](O)C[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000726881232 722438873 /nfs/dbraw/zinc/43/88/73/722438873.db2.gz OKBALKHQWXZGRT-GFCCVEGCSA-N 1 1 369.849 3.202 20 5 FGBDMO C[N@@H+](CCNC(=S)Nc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1 ZINC000749006306 722712447 /nfs/dbraw/zinc/71/24/47/722712447.db2.gz QOZYZGDMFBVBQO-UHFFFAOYSA-N 1 1 362.430 3.152 20 5 FGBDMO C[C@@H](CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000790539709 723151036 /nfs/dbraw/zinc/15/10/36/723151036.db2.gz SJCNEBFWIUAGHC-RYUDHWBXSA-N 1 1 371.840 3.309 20 5 FGBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790794168 723178615 /nfs/dbraw/zinc/17/86/15/723178615.db2.gz XYOGSCXSQJCSGU-CYBMUJFWSA-N 1 1 371.840 3.263 20 5 FGBDMO COCC[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC[C@@H](C)C1 ZINC000792462954 723338289 /nfs/dbraw/zinc/33/82/89/723338289.db2.gz BNUSLRNLBHGDNC-TZMCWYRMSA-N 1 1 369.849 3.324 20 5 FGBDMO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000793619037 723455787 /nfs/dbraw/zinc/45/57/87/723455787.db2.gz BPDBGILRFMXEEL-HNNXBMFYSA-N 1 1 355.232 3.360 20 5 FGBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000793619037 723455789 /nfs/dbraw/zinc/45/57/89/723455789.db2.gz BPDBGILRFMXEEL-HNNXBMFYSA-N 1 1 355.232 3.360 20 5 FGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccc(Br)n1 ZINC000794547711 723529847 /nfs/dbraw/zinc/52/98/47/723529847.db2.gz SQXLZWJWLXBIIP-UHFFFAOYSA-N 1 1 350.216 3.427 20 5 FGBDMO CC(C)[C@H](C)[N@@H+](C)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795406963 723588584 /nfs/dbraw/zinc/58/85/84/723588584.db2.gz SQFFZECBCHBGAS-JTQLQIEISA-N 1 1 370.247 3.247 20 5 FGBDMO CCC[N@H+](CC)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795415867 723589388 /nfs/dbraw/zinc/58/93/88/723589388.db2.gz QZERUBHRSHSCRC-UHFFFAOYSA-N 1 1 356.220 3.003 20 5 FGBDMO CCC[N@@H+](CC)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795415867 723589390 /nfs/dbraw/zinc/58/93/90/723589390.db2.gz QZERUBHRSHSCRC-UHFFFAOYSA-N 1 1 356.220 3.003 20 5 FGBDMO CSC[C@@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000795624178 723602837 /nfs/dbraw/zinc/60/28/37/723602837.db2.gz ULGWVNMRIJBDKI-LLVKDONJSA-N 1 1 357.863 3.262 20 5 FGBDMO CSC[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000795624178 723602838 /nfs/dbraw/zinc/60/28/38/723602838.db2.gz ULGWVNMRIJBDKI-LLVKDONJSA-N 1 1 357.863 3.262 20 5 FGBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)Cc1ccccc1-n1cncn1 ZINC000768215660 723650553 /nfs/dbraw/zinc/65/05/53/723650553.db2.gz WHGNMSFQSGPSRB-UHFFFAOYSA-N 1 1 357.801 3.461 20 5 FGBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)Cc1ccccc1-n1cncn1 ZINC000768215660 723650555 /nfs/dbraw/zinc/65/05/55/723650555.db2.gz WHGNMSFQSGPSRB-UHFFFAOYSA-N 1 1 357.801 3.461 20 5 FGBDMO Cc1[nH+]ccn1CCCOC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000773602830 723805097 /nfs/dbraw/zinc/80/50/97/723805097.db2.gz BVBQIURLKYXLSE-UHFFFAOYSA-N 1 1 374.216 3.171 20 5 FGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000777439879 724225765 /nfs/dbraw/zinc/22/57/65/724225765.db2.gz PYOLDVUKTMLVKG-KRWDZBQOSA-N 1 1 350.777 3.481 20 5 FGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000777439879 724225768 /nfs/dbraw/zinc/22/57/68/724225768.db2.gz PYOLDVUKTMLVKG-KRWDZBQOSA-N 1 1 350.777 3.481 20 5 FGBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000777524167 724234437 /nfs/dbraw/zinc/23/44/37/724234437.db2.gz SMJIVTZHWJHUNG-CYBMUJFWSA-N 1 1 351.472 3.263 20 5 FGBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000777524167 724234440 /nfs/dbraw/zinc/23/44/40/724234440.db2.gz SMJIVTZHWJHUNG-CYBMUJFWSA-N 1 1 351.472 3.263 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3CCc4cc(Cl)ccc43)CC2)cn1 ZINC000777682797 724250277 /nfs/dbraw/zinc/25/02/77/724250277.db2.gz JBWWXSBDPMHEKR-KRWDZBQOSA-N 1 1 358.829 3.453 20 5 FGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000785743488 724934824 /nfs/dbraw/zinc/93/48/24/724934824.db2.gz LXYONQYZXHXVIA-OKILXGFUSA-N 1 1 350.415 3.298 20 5 FGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000785743488 724934825 /nfs/dbraw/zinc/93/48/25/724934825.db2.gz LXYONQYZXHXVIA-OKILXGFUSA-N 1 1 350.415 3.298 20 5 FGBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000785836689 724941625 /nfs/dbraw/zinc/94/16/25/724941625.db2.gz BFLKKJLCWZZSTI-RKDXNWHRSA-N 1 1 362.308 3.051 20 5 FGBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000785836689 724941627 /nfs/dbraw/zinc/94/16/27/724941627.db2.gz BFLKKJLCWZZSTI-RKDXNWHRSA-N 1 1 362.308 3.051 20 5 FGBDMO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000788274248 725054394 /nfs/dbraw/zinc/05/43/94/725054394.db2.gz KSNONRZMKBHDMP-CQSZACIVSA-N 1 1 353.850 3.471 20 5 FGBDMO CC1(C)CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCS1 ZINC000789342445 725123242 /nfs/dbraw/zinc/12/32/42/725123242.db2.gz VKWVKKPWZDIAJI-UHFFFAOYSA-N 1 1 355.435 3.280 20 5 FGBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809911328 725275570 /nfs/dbraw/zinc/27/55/70/725275570.db2.gz LREUXNLIPGGCCV-NEPJUHHUSA-N 1 1 354.838 3.490 20 5 FGBDMO Cc1[nH+]ccn1C[C@@H](C)OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000810617766 725318096 /nfs/dbraw/zinc/31/80/96/725318096.db2.gz GBIZNCUXDMZXPW-SECBINFHSA-N 1 1 357.288 3.364 20 5 FGBDMO Cc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)nc(N2CCCC2)n1 ZINC000814178194 726945397 /nfs/dbraw/zinc/94/53/97/726945397.db2.gz GSMYSTYGYTUFQQ-UHFFFAOYSA-N 1 1 361.833 3.237 20 5 FGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](O)CC23CCC3)c1Br ZINC000817293133 727237412 /nfs/dbraw/zinc/23/74/12/727237412.db2.gz YMOCMKOIRQKFOM-LBPRGKRZSA-N 1 1 355.232 3.237 20 5 FGBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](O)CC23CCC3)c1Br ZINC000817293133 727237416 /nfs/dbraw/zinc/23/74/16/727237416.db2.gz YMOCMKOIRQKFOM-LBPRGKRZSA-N 1 1 355.232 3.237 20 5 FGBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000823629228 729294096 /nfs/dbraw/zinc/29/40/96/729294096.db2.gz LJWUBQSMKCZCEG-FGTMMUONSA-N 1 1 362.813 3.090 20 5 FGBDMO CC1(C)C[C@@H](O)CC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000825090977 729370262 /nfs/dbraw/zinc/37/02/62/729370262.db2.gz PRURRUQXKPOCKN-NSHDSACASA-N 1 1 357.248 3.340 20 5 FGBDMO CC1(C)C[C@@H](O)CC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000825090977 729370263 /nfs/dbraw/zinc/37/02/63/729370263.db2.gz PRURRUQXKPOCKN-NSHDSACASA-N 1 1 357.248 3.340 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cc1Cl ZINC000836758530 729968483 /nfs/dbraw/zinc/96/84/83/729968483.db2.gz AMESKMACNNLHHO-CYBMUJFWSA-N 1 1 353.850 3.264 20 5 FGBDMO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)OCc1cccc([N+](=O)[O-])c1Br ZINC000840520313 730150878 /nfs/dbraw/zinc/15/08/78/730150878.db2.gz QOZGSXZBIFGDCK-GHMZBOCLSA-N 1 1 371.231 3.273 20 5 FGBDMO COc1cc(C(=O)OC[C@H]2CCC[N@H+](C(C)C)C2)c([N+](=O)[O-])cc1F ZINC000842830345 730547990 /nfs/dbraw/zinc/54/79/90/730547990.db2.gz MWEFEXVRJQHMLF-LBPRGKRZSA-N 1 1 354.378 3.020 20 5 FGBDMO O=[N+]([O-])c1cccc(Br)c1CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843125254 730588346 /nfs/dbraw/zinc/58/83/46/730588346.db2.gz PIXDLKSWWRQRRF-OLZOCXBDSA-N 1 1 368.275 3.179 20 5 FGBDMO C[C@@H](CO)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000844415269 730715137 /nfs/dbraw/zinc/71/51/37/730715137.db2.gz RBKFETHQLYCAJO-NSHDSACASA-N 1 1 357.248 3.198 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@]4(CC4(F)F)C3)n2)cc1 ZINC000844434567 730717095 /nfs/dbraw/zinc/71/70/95/730717095.db2.gz ABOKFTIUTRTTFB-HNNXBMFYSA-N 1 1 350.325 3.266 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@]4(CC4(F)F)C3)n2)cc1 ZINC000844434567 730717097 /nfs/dbraw/zinc/71/70/97/730717097.db2.gz ABOKFTIUTRTTFB-HNNXBMFYSA-N 1 1 350.325 3.266 20 5 FGBDMO C[C@H](O)c1ncc(C[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])s1 ZINC000883288064 737547370 /nfs/dbraw/zinc/54/73/70/737547370.db2.gz PXEMNFWLVMUPDG-QMMMGPOBSA-N 1 1 372.244 3.157 20 5 FGBDMO Cn1ccnc1[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000846835807 730985973 /nfs/dbraw/zinc/98/59/73/730985973.db2.gz DVODDJYMFXSBRF-GFCCVEGCSA-N 1 1 365.231 3.080 20 5 FGBDMO CC[N@@H+](CCc1nccs1)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848481894 731169587 /nfs/dbraw/zinc/16/95/87/731169587.db2.gz FQKKQGKXLMDLLX-UHFFFAOYSA-N 1 1 357.439 3.437 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H]2CCCC[C@H]12 ZINC000852492985 731592681 /nfs/dbraw/zinc/59/26/81/731592681.db2.gz BUIWEPBYSSZTOL-IIAWOOMASA-N 1 1 350.390 3.288 20 5 FGBDMO CC[N@@H+](C)Cc1cc(O[C@H]2CCN(c3sccc3[N+](=O)[O-])C2)ccn1 ZINC000856533922 732037602 /nfs/dbraw/zinc/03/76/02/732037602.db2.gz RLXDFFMVGVYYHZ-HNNXBMFYSA-N 1 1 362.455 3.161 20 5 FGBDMO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]2CCC[C@@H]21 ZINC000859953819 732422318 /nfs/dbraw/zinc/42/23/18/732422318.db2.gz HORAVJIQWXAKAY-NFAWXSAZSA-N 1 1 352.818 3.412 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]2CCC[C@@H]21 ZINC000859953819 732422322 /nfs/dbraw/zinc/42/23/22/732422322.db2.gz HORAVJIQWXAKAY-NFAWXSAZSA-N 1 1 352.818 3.412 20 5 FGBDMO Cn1ccc(-c2nc(C[N@H+](C)CCc3cccc([N+](=O)[O-])c3)cs2)n1 ZINC000878565062 736888415 /nfs/dbraw/zinc/88/84/15/736888415.db2.gz DZUWXOPUTUNMAB-UHFFFAOYSA-N 1 1 357.439 3.126 20 5 FGBDMO Cn1ccc(-c2nc(C[N@@H+](C)CCc3cccc([N+](=O)[O-])c3)cs2)n1 ZINC000878565062 736888420 /nfs/dbraw/zinc/88/84/20/736888420.db2.gz DZUWXOPUTUNMAB-UHFFFAOYSA-N 1 1 357.439 3.126 20 5 FGBDMO Cc1csc([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000880009104 737098426 /nfs/dbraw/zinc/09/84/26/737098426.db2.gz ZSLYJIRUIBGANK-CHWSQXEVSA-N 1 1 360.439 3.176 20 5 FGBDMO Cc1csc([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000880009104 737098428 /nfs/dbraw/zinc/09/84/28/737098428.db2.gz ZSLYJIRUIBGANK-CHWSQXEVSA-N 1 1 360.439 3.176 20 5 FGBDMO Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000883295611 737548638 /nfs/dbraw/zinc/54/86/38/737548638.db2.gz NDGQXNYWKDYPAM-ZDUSSCGKSA-N 1 1 365.231 3.258 20 5 FGBDMO CC(C)(C)OC(=O)NC1CC[NH+](CCNc2ccc([N+](=O)[O-])s2)CC1 ZINC000895491413 742419165 /nfs/dbraw/zinc/41/91/65/742419165.db2.gz YLBXMDZEYUQDSR-UHFFFAOYSA-N 1 1 370.475 3.057 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@H](CF)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000895572413 742428110 /nfs/dbraw/zinc/42/81/10/742428110.db2.gz DCEFZQCTPCPSQY-SNVBAGLBSA-N 1 1 366.311 3.336 20 5 FGBDMO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@@H+]2C2CCOCC2)c(Br)c1 ZINC000896516909 742560431 /nfs/dbraw/zinc/56/04/31/742560431.db2.gz BHWXYMWKWFRCQB-ZDUSSCGKSA-N 1 1 370.247 3.023 20 5 FGBDMO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@H+]2C2CCOCC2)c(Br)c1 ZINC000896516909 742560434 /nfs/dbraw/zinc/56/04/34/742560434.db2.gz BHWXYMWKWFRCQB-ZDUSSCGKSA-N 1 1 370.247 3.023 20 5 FGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000896515809 742560441 /nfs/dbraw/zinc/56/04/41/742560441.db2.gz KCXNAXFFZIZJSO-ZDUSSCGKSA-N 1 1 359.348 3.279 20 5 FGBDMO C[NH+](C)[C@@H](CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)c1ccco1 ZINC000899956975 743030662 /nfs/dbraw/zinc/03/06/62/743030662.db2.gz GJCUZEBYPIBRRS-LBPRGKRZSA-N 1 1 355.753 3.013 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000926948265 759854398 /nfs/dbraw/zinc/85/43/98/759854398.db2.gz JUXBCRCUCFEPMM-YUTCNCBUSA-N 1 1 354.332 3.206 20 5 FGBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000931114855 760780976 /nfs/dbraw/zinc/78/09/76/760780976.db2.gz IQWAQZRSPLLVPK-CYBMUJFWSA-N 1 1 351.472 3.167 20 5 FGBDMO CC(C)(C)OC(=O)NCC[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000932704068 761224330 /nfs/dbraw/zinc/22/43/30/761224330.db2.gz SAFZURWGZMAPDA-GFCCVEGCSA-N 1 1 355.460 3.393 20 5 FGBDMO CC(C)(C)OC(=O)NCC[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000932704068 761224332 /nfs/dbraw/zinc/22/43/32/761224332.db2.gz SAFZURWGZMAPDA-GFCCVEGCSA-N 1 1 355.460 3.393 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2N(C)C)cccc1[N+](=O)[O-] ZINC000579639807 505592316 /nfs/dbraw/zinc/59/23/16/505592316.db2.gz CWJLYYJZCPPDLG-HNNXBMFYSA-N 1 1 370.453 3.428 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2N(C)C)cccc1[N+](=O)[O-] ZINC000579639807 505592320 /nfs/dbraw/zinc/59/23/20/505592320.db2.gz CWJLYYJZCPPDLG-HNNXBMFYSA-N 1 1 370.453 3.428 20 5 FGBDMO Cc1c(C[N@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000573759479 505612597 /nfs/dbraw/zinc/61/25/97/505612597.db2.gz QLLDSBXWXNURCE-FQEVSTJZSA-N 1 1 358.413 3.469 20 5 FGBDMO Cc1cccnc1NC(=O)[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000080929128 493793557 /nfs/dbraw/zinc/79/35/57/493793557.db2.gz JOMITFWWMIMODO-KRWDZBQOSA-N 1 1 368.437 3.191 20 5 FGBDMO CC(=O)c1ccc(N2CC[NH+](CCc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000028620819 493794503 /nfs/dbraw/zinc/79/45/03/493794503.db2.gz JBIQERHSOCEDMP-UHFFFAOYSA-N 1 1 353.422 3.162 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@@H](c4ncc[nH]4)C3)o2)c1 ZINC000080961343 493800668 /nfs/dbraw/zinc/80/06/68/493800668.db2.gz DFEVYIVMMCOQFK-OAHLLOKOSA-N 1 1 367.409 3.395 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1c1cccn1C ZINC000068370415 493806138 /nfs/dbraw/zinc/80/61/38/493806138.db2.gz DCVBUSZJPBGZHE-KRWDZBQOSA-N 1 1 372.425 3.108 20 5 FGBDMO Cc1cc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000081122652 493836129 /nfs/dbraw/zinc/83/61/29/493836129.db2.gz OGTMJDHKNXSVKT-GOSISDBHSA-N 1 1 353.422 3.250 20 5 FGBDMO O=[N+]([O-])c1ccc(NCC[NH+]2CCN(c3ccc(F)cc3)CC2)c(F)c1 ZINC000029618800 493847391 /nfs/dbraw/zinc/84/73/91/493847391.db2.gz NTIHDMBYSWRCIW-UHFFFAOYSA-N 1 1 362.380 3.107 20 5 FGBDMO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[N@H+](C2CC2)CC1 ZINC000050631228 493924740 /nfs/dbraw/zinc/92/47/40/493924740.db2.gz ISXSWAAGRBZSTH-UHFFFAOYSA-N 1 1 372.450 3.029 20 5 FGBDMO COc1cc2c(cc1OC)C[N@H+](CCOc1ccccc1[N+](=O)[O-])CC2 ZINC000051315744 493961110 /nfs/dbraw/zinc/96/11/10/493961110.db2.gz XWEUHUYFQHSWCP-UHFFFAOYSA-N 1 1 358.394 3.049 20 5 FGBDMO COc1cc2c(cc1OC)C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC2 ZINC000051315744 493961111 /nfs/dbraw/zinc/96/11/11/493961111.db2.gz XWEUHUYFQHSWCP-UHFFFAOYSA-N 1 1 358.394 3.049 20 5 FGBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000051469793 493972751 /nfs/dbraw/zinc/97/27/51/493972751.db2.gz AMTBOSLSSBJRLJ-CYBMUJFWSA-N 1 1 374.466 3.178 20 5 FGBDMO CN(C(=O)C[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000076805467 493974251 /nfs/dbraw/zinc/97/42/51/493974251.db2.gz TYJARWWOPFLFPC-MRXNPFEDSA-N 1 1 371.412 3.261 20 5 FGBDMO CC1CCN(C(=O)C2CC[NH+](Cc3cc(F)ccc3[N+](=O)[O-])CC2)CC1 ZINC000052159691 494006980 /nfs/dbraw/zinc/00/69/80/494006980.db2.gz IEIQLNBEHUEQDG-UHFFFAOYSA-N 1 1 363.433 3.204 20 5 FGBDMO O=C(CCc1ccccc1)N1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000083243671 494012566 /nfs/dbraw/zinc/01/25/66/494012566.db2.gz HYOMCYBCSQDRAA-UHFFFAOYSA-N 1 1 367.449 3.262 20 5 FGBDMO O=C(CCc1ccccc1)N1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000083243671 494012569 /nfs/dbraw/zinc/01/25/69/494012569.db2.gz HYOMCYBCSQDRAA-UHFFFAOYSA-N 1 1 367.449 3.262 20 5 FGBDMO CCOc1ccc(C[N@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 ZINC000007687115 494035557 /nfs/dbraw/zinc/03/55/57/494035557.db2.gz LJHZGBNIPLDZQI-UHFFFAOYSA-N 1 1 357.410 3.372 20 5 FGBDMO CCOc1ccc(C[N@@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 ZINC000007687115 494035561 /nfs/dbraw/zinc/03/55/61/494035561.db2.gz LJHZGBNIPLDZQI-UHFFFAOYSA-N 1 1 357.410 3.372 20 5 FGBDMO Cc1ccc(C)c(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000077359433 494066333 /nfs/dbraw/zinc/06/63/33/494066333.db2.gz ZLAMDTJXYKGKMC-UHFFFAOYSA-N 1 1 353.422 3.170 20 5 FGBDMO Cc1ccc([C@@H](C)[N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC000052907619 494074532 /nfs/dbraw/zinc/07/45/32/494074532.db2.gz VFTFJFVTQTTYTP-OAHLLOKOSA-N 1 1 353.422 3.485 20 5 FGBDMO Cc1ccc([C@@H](C)[N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC000052907619 494074536 /nfs/dbraw/zinc/07/45/36/494074536.db2.gz VFTFJFVTQTTYTP-OAHLLOKOSA-N 1 1 353.422 3.485 20 5 FGBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2C)c([N+](=O)[O-])c1 ZINC000008493958 494093326 /nfs/dbraw/zinc/09/33/26/494093326.db2.gz UKQIPDAFCXKPPB-CQSZACIVSA-N 1 1 357.410 3.371 20 5 FGBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2C)c([N+](=O)[O-])c1 ZINC000008493958 494093332 /nfs/dbraw/zinc/09/33/32/494093332.db2.gz UKQIPDAFCXKPPB-CQSZACIVSA-N 1 1 357.410 3.371 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000077524082 494104172 /nfs/dbraw/zinc/10/41/72/494104172.db2.gz XISOZFYPFZVJHZ-OAHLLOKOSA-N 1 1 360.458 3.117 20 5 FGBDMO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000010974674 494166946 /nfs/dbraw/zinc/16/69/46/494166946.db2.gz CZGUIRUEVBDELQ-UHFFFAOYSA-N 1 1 371.412 3.390 20 5 FGBDMO Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000010974674 494166949 /nfs/dbraw/zinc/16/69/49/494166949.db2.gz CZGUIRUEVBDELQ-UHFFFAOYSA-N 1 1 371.412 3.390 20 5 FGBDMO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087316092 494193544 /nfs/dbraw/zinc/19/35/44/494193544.db2.gz ATAVOFDSGJEWID-KRWDZBQOSA-N 1 1 367.449 3.260 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087316092 494193548 /nfs/dbraw/zinc/19/35/48/494193548.db2.gz ATAVOFDSGJEWID-KRWDZBQOSA-N 1 1 367.449 3.260 20 5 FGBDMO O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088252161 494221907 /nfs/dbraw/zinc/22/19/07/494221907.db2.gz MLMPQRPVWLTMKT-FQEVSTJZSA-N 1 1 365.433 3.144 20 5 FGBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000072731646 494243388 /nfs/dbraw/zinc/24/33/88/494243388.db2.gz FHYJQNLFCMTMSJ-ZDUSSCGKSA-N 1 1 366.849 3.444 20 5 FGBDMO CCS[C@H]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000072838407 494261786 /nfs/dbraw/zinc/26/17/86/494261786.db2.gz KHZRWPKDVNRFBJ-JSGCOSHPSA-N 1 1 367.471 3.148 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000043149024 494270998 /nfs/dbraw/zinc/27/09/98/494270998.db2.gz CMCNEXDFUHLZPZ-OAHLLOKOSA-N 1 1 368.437 3.472 20 5 FGBDMO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000072980276 494298409 /nfs/dbraw/zinc/29/84/09/494298409.db2.gz RRGKRGLLCZCWQN-INIZCTEOSA-N 1 1 353.382 3.320 20 5 FGBDMO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000072980276 494298411 /nfs/dbraw/zinc/29/84/11/494298411.db2.gz RRGKRGLLCZCWQN-INIZCTEOSA-N 1 1 353.382 3.320 20 5 FGBDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1ccccc1[N+](=O)[O-] ZINC000073310930 494355692 /nfs/dbraw/zinc/35/56/92/494355692.db2.gz SJJKJQLDPOYMST-AEFFLSMTSA-N 1 1 351.406 3.351 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000045948190 494477827 /nfs/dbraw/zinc/47/78/27/494477827.db2.gz MTSUOGFQBQEGCF-CQSZACIVSA-N 1 1 364.446 3.237 20 5 FGBDMO C[C@@H](O)C[C@H]1COCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000568565712 505723131 /nfs/dbraw/zinc/72/31/31/505723131.db2.gz OYRSMCRJZVYQLW-CJNGLKHVSA-N 1 1 362.451 3.295 20 5 FGBDMO C[C@@H](O)C[C@H]1COCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000568565712 505723134 /nfs/dbraw/zinc/72/31/34/505723134.db2.gz OYRSMCRJZVYQLW-CJNGLKHVSA-N 1 1 362.451 3.295 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H]1CCCc1ccccc1 ZINC000090552698 494481249 /nfs/dbraw/zinc/48/12/49/494481249.db2.gz LFNZBNWVMAUGJR-GOSISDBHSA-N 1 1 355.438 3.244 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)cn1 ZINC000056530808 494521348 /nfs/dbraw/zinc/52/13/48/494521348.db2.gz PHFHUPLZSKYEAW-UHFFFAOYSA-N 1 1 366.381 3.114 20 5 FGBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000067361810 494522045 /nfs/dbraw/zinc/52/20/45/494522045.db2.gz GXWJUWXRGNVRJJ-LJQANCHMSA-N 1 1 367.449 3.166 20 5 FGBDMO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000074445744 494538496 /nfs/dbraw/zinc/53/84/96/494538496.db2.gz WHPWDUVPCMXXKY-FQEVSTJZSA-N 1 1 367.449 3.260 20 5 FGBDMO C[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(F)cc1F ZINC000067452046 494542958 /nfs/dbraw/zinc/54/29/58/494542958.db2.gz DIBLNXASKCFWPT-DIFFPNOSSA-N 1 1 361.348 3.329 20 5 FGBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H](c4nncn4C4CC4)C3)nc2c1 ZINC000091630437 494632159 /nfs/dbraw/zinc/63/21/59/494632159.db2.gz GUPIJRVOXPZOOJ-GFCCVEGCSA-N 1 1 368.397 3.042 20 5 FGBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@H](c4nncn4C4CC4)C3)nc2c1 ZINC000091630437 494632163 /nfs/dbraw/zinc/63/21/63/494632163.db2.gz GUPIJRVOXPZOOJ-GFCCVEGCSA-N 1 1 368.397 3.042 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@@H]2CO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000092471071 494638732 /nfs/dbraw/zinc/63/87/32/494638732.db2.gz WRBPLVXIVVUVNQ-GOSISDBHSA-N 1 1 372.421 3.139 20 5 FGBDMO CCOc1cc(Nc2ccc(N3CCOCC3)[nH+]c2C)ccc1[N+](=O)[O-] ZINC000092686304 494712264 /nfs/dbraw/zinc/71/22/64/494712264.db2.gz JAMIBXGQZONKHL-UHFFFAOYSA-N 1 1 358.398 3.277 20 5 FGBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000121345796 494712333 /nfs/dbraw/zinc/71/23/33/494712333.db2.gz MCPJVXCCNHQMJU-AWEZNQCLSA-N 1 1 371.441 3.110 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+](CCO)Cc3cccnc3)o2)c1 ZINC000131796356 494733618 /nfs/dbraw/zinc/73/36/18/494733618.db2.gz FJROHVKYNPGQMO-UHFFFAOYSA-N 1 1 353.378 3.244 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+](CCO)Cc3cccnc3)o2)c1 ZINC000131796356 494733623 /nfs/dbraw/zinc/73/36/23/494733623.db2.gz FJROHVKYNPGQMO-UHFFFAOYSA-N 1 1 353.378 3.244 20 5 FGBDMO Cc1sc(C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000116249893 494746231 /nfs/dbraw/zinc/74/62/31/494746231.db2.gz WCNIZNHRXRMKAF-WFASDCNBSA-N 1 1 374.466 3.000 20 5 FGBDMO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116274633 494751124 /nfs/dbraw/zinc/75/11/24/494751124.db2.gz GNEICWMZYNZMSL-AWEZNQCLSA-N 1 1 353.850 3.377 20 5 FGBDMO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116274633 494751131 /nfs/dbraw/zinc/75/11/31/494751131.db2.gz GNEICWMZYNZMSL-AWEZNQCLSA-N 1 1 353.850 3.377 20 5 FGBDMO CCN1CC[NH+](CCCNc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000121489015 494778436 /nfs/dbraw/zinc/77/84/36/494778436.db2.gz MMIRCDULIASSHQ-UHFFFAOYSA-N 1 1 361.273 3.341 20 5 FGBDMO CC(C)[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccccc1 ZINC000025820707 494782570 /nfs/dbraw/zinc/78/25/70/494782570.db2.gz NAAVISPRBYSQBW-UHFFFAOYSA-N 1 1 371.393 3.173 20 5 FGBDMO Cc1[nH+]ccn1-c1cncc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000092923294 494787043 /nfs/dbraw/zinc/78/70/43/494787043.db2.gz UMGAJMJWLBNBNO-UHFFFAOYSA-N 1 1 350.382 3.048 20 5 FGBDMO Cn1cc(C[N@H+]2CCC[C@@H](n3cccn3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092967025 494797243 /nfs/dbraw/zinc/79/72/43/494797243.db2.gz FWWWCRZPCCCQNP-GOSISDBHSA-N 1 1 366.425 3.029 20 5 FGBDMO COc1ccc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1F ZINC000121542033 494797492 /nfs/dbraw/zinc/79/74/92/494797492.db2.gz MCBALJZMXNUHRN-NSHDSACASA-N 1 1 362.357 3.460 20 5 FGBDMO CCC(=O)N1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000092186991 494805073 /nfs/dbraw/zinc/80/50/73/494805073.db2.gz QABDNIRBUIIFJW-UHFFFAOYSA-N 1 1 357.410 3.299 20 5 FGBDMO CCC(=O)N1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000092186991 494805075 /nfs/dbraw/zinc/80/50/75/494805075.db2.gz QABDNIRBUIIFJW-UHFFFAOYSA-N 1 1 357.410 3.299 20 5 FGBDMO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000026167279 494806027 /nfs/dbraw/zinc/80/60/27/494806027.db2.gz DSGCHEZCUDBBGH-CQSZACIVSA-N 1 1 357.410 3.371 20 5 FGBDMO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000026167279 494806034 /nfs/dbraw/zinc/80/60/34/494806034.db2.gz DSGCHEZCUDBBGH-CQSZACIVSA-N 1 1 357.410 3.371 20 5 FGBDMO CC[C@@H](c1ccncc1)[N@@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000092225135 494814949 /nfs/dbraw/zinc/81/49/49/494814949.db2.gz CWOJATBOFOZLPO-INIZCTEOSA-N 1 1 370.409 3.371 20 5 FGBDMO CC(C)[NH+]1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000026712266 494834560 /nfs/dbraw/zinc/83/45/60/494834560.db2.gz HMMSAEPGCVBMQK-UHFFFAOYSA-N 1 1 353.422 3.356 20 5 FGBDMO COc1ccc(C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C(C)(C)C)c(OC)c1 ZINC000132181530 494835160 /nfs/dbraw/zinc/83/51/60/494835160.db2.gz BAOWBKYWHRJRSB-UHFFFAOYSA-N 1 1 362.430 3.109 20 5 FGBDMO C[N@H+](Cc1ccc(Cl)s1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026811570 494839640 /nfs/dbraw/zinc/83/96/40/494839640.db2.gz JTUZPQRELBYZMS-GFCCVEGCSA-N 1 1 356.831 3.181 20 5 FGBDMO C[C@@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])o2)CC[N@H+]1Cc1ccccc1 ZINC000132306957 494854089 /nfs/dbraw/zinc/85/40/89/494854089.db2.gz LZOPYMORROMTAD-GDBMZVCRSA-N 1 1 357.410 3.313 20 5 FGBDMO C[N@H+](CCOc1ccc(F)cc1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000027373271 494864706 /nfs/dbraw/zinc/86/47/06/494864706.db2.gz CHKQIDSXASXHOE-UHFFFAOYSA-N 1 1 372.356 3.295 20 5 FGBDMO C[N@@H+](CCOc1ccc(F)cc1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000027373271 494864709 /nfs/dbraw/zinc/86/47/09/494864709.db2.gz CHKQIDSXASXHOE-UHFFFAOYSA-N 1 1 372.356 3.295 20 5 FGBDMO C[C@@H](c1cccnc1)[NH+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000093413178 494888093 /nfs/dbraw/zinc/88/80/93/494888093.db2.gz DFJNNKROMJLKSQ-JZLODUJNSA-N 1 1 352.438 3.382 20 5 FGBDMO COc1cc(CN2CCC(CCC[NH+](C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000093688520 494912451 /nfs/dbraw/zinc/91/24/51/494912451.db2.gz XJIXYSCBJDITQL-UHFFFAOYSA-N 1 1 365.474 3.166 20 5 FGBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](Cc2ccccc2)CC1 ZINC000117560290 494932150 /nfs/dbraw/zinc/93/21/50/494932150.db2.gz KAEIHIFFOYFUCY-UHFFFAOYSA-N 1 1 373.840 3.135 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000094038073 494943031 /nfs/dbraw/zinc/94/30/31/494943031.db2.gz YQTYSFVQYOVQDM-UHFFFAOYSA-N 1 1 373.478 3.370 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000094038073 494943036 /nfs/dbraw/zinc/94/30/36/494943036.db2.gz YQTYSFVQYOVQDM-UHFFFAOYSA-N 1 1 373.478 3.370 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(SC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000122228303 494943308 /nfs/dbraw/zinc/94/33/08/494943308.db2.gz VASYOZRNINRCFG-OCCSQVGLSA-N 1 1 351.472 3.119 20 5 FGBDMO C[C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccccc1 ZINC000110348441 494971733 /nfs/dbraw/zinc/97/17/33/494971733.db2.gz FQDUHGKCCWZZJW-HNNXBMFYSA-N 1 1 373.478 3.324 20 5 FGBDMO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000133124287 494973607 /nfs/dbraw/zinc/97/36/07/494973607.db2.gz GPSUOBKWXVKILN-HUUCEWRRSA-N 1 1 360.414 3.280 20 5 FGBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000133124287 494973609 /nfs/dbraw/zinc/97/36/09/494973609.db2.gz GPSUOBKWXVKILN-HUUCEWRRSA-N 1 1 360.414 3.280 20 5 FGBDMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc([N+](=O)[O-])o1 ZINC000110389380 494975993 /nfs/dbraw/zinc/97/59/93/494975993.db2.gz QTIYTAGYTBACKY-MQVJKMGUSA-N 1 1 355.394 3.113 20 5 FGBDMO COc1ccc(NC(=O)CC[N@H+]2CCc3ccc(F)cc3C2)c([N+](=O)[O-])c1 ZINC000133966058 495087947 /nfs/dbraw/zinc/08/79/47/495087947.db2.gz RWDAWRHXFASQMG-UHFFFAOYSA-N 1 1 373.384 3.129 20 5 FGBDMO C[C@]12CCC[N@@H+]1C[C@@H](c1noc(/C=C\c3ccc([N+](=O)[O-])cc3)n1)OC2 ZINC000571565829 505762739 /nfs/dbraw/zinc/76/27/39/505762739.db2.gz JWGXPHXPBUGDCP-YLTICUNPSA-N 1 1 356.382 3.074 20 5 FGBDMO C[C@]12CCC[N@H+]1C[C@@H](c1noc(/C=C\c3ccc([N+](=O)[O-])cc3)n1)OC2 ZINC000571565829 505762741 /nfs/dbraw/zinc/76/27/41/505762741.db2.gz JWGXPHXPBUGDCP-YLTICUNPSA-N 1 1 356.382 3.074 20 5 FGBDMO CCS[C@H]1CCCC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000112088138 495142237 /nfs/dbraw/zinc/14/22/37/495142237.db2.gz WPGSQOUHMKNGJS-HNNXBMFYSA-N 1 1 351.472 3.449 20 5 FGBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000123599832 495158858 /nfs/dbraw/zinc/15/88/58/495158858.db2.gz VCXPDKKCTDGEIX-HNNXBMFYSA-N 1 1 370.453 3.385 20 5 FGBDMO O=C(CC[N@H+]1CC[C@@H](Nc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000102845537 495166491 /nfs/dbraw/zinc/16/64/91/495166491.db2.gz NPPNADCKDZLFHC-QGZVFWFLSA-N 1 1 354.410 3.110 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@@H](SC)C1 ZINC000134568441 495169329 /nfs/dbraw/zinc/16/93/29/495169329.db2.gz VHEIQMIUZUABFL-CQSZACIVSA-N 1 1 367.471 3.150 20 5 FGBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000123720261 495176439 /nfs/dbraw/zinc/17/64/39/495176439.db2.gz OKDAEEYUQYGDPO-LJQANCHMSA-N 1 1 368.437 3.117 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cn1 ZINC000134649362 495181479 /nfs/dbraw/zinc/18/14/79/495181479.db2.gz NMLHFLRGLIPVNF-UHFFFAOYSA-N 1 1 371.784 3.067 20 5 FGBDMO C[C@@H]1C[N@H+](CCCCNc2ccc3ncccc3c2[N+](=O)[O-])C[C@H](C)O1 ZINC000129019283 495183207 /nfs/dbraw/zinc/18/32/07/495183207.db2.gz KBQMEVZFNXMBHB-GASCZTMLSA-N 1 1 358.442 3.444 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)N2CCC([N@H+]3CCC[C@@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000134704721 495188909 /nfs/dbraw/zinc/18/89/09/495188909.db2.gz MJOIGJOCSSZKIK-GOEBONIOSA-N 1 1 374.485 3.179 20 5 FGBDMO Cc1sc(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000103132896 495196186 /nfs/dbraw/zinc/19/61/86/495196186.db2.gz AICXNCLYYTUTFD-INIZCTEOSA-N 1 1 373.478 3.259 20 5 FGBDMO O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000119809262 495246735 /nfs/dbraw/zinc/24/67/35/495246735.db2.gz ZFNWFDJRKXWKLG-MRXNPFEDSA-N 1 1 357.454 3.134 20 5 FGBDMO Cc1cc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000135127316 495254167 /nfs/dbraw/zinc/25/41/67/495254167.db2.gz OIRUGBOSXXJUFS-INIZCTEOSA-N 1 1 353.422 3.250 20 5 FGBDMO Cc1cc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000135127316 495254169 /nfs/dbraw/zinc/25/41/69/495254169.db2.gz OIRUGBOSXXJUFS-INIZCTEOSA-N 1 1 353.422 3.250 20 5 FGBDMO Cc1cccc(OC[C@@H](O)C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000135240143 495267621 /nfs/dbraw/zinc/26/76/21/495267621.db2.gz QMKFPFCGRGUORU-SFHVURJKSA-N 1 1 356.422 3.308 20 5 FGBDMO Cc1cccc(OC[C@@H](O)C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000135240143 495267625 /nfs/dbraw/zinc/26/76/25/495267625.db2.gz QMKFPFCGRGUORU-SFHVURJKSA-N 1 1 356.422 3.308 20 5 FGBDMO COc1ccccc1CC[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000104709539 495299324 /nfs/dbraw/zinc/29/93/24/495299324.db2.gz WMZIKHPRRZKWMO-OAHLLOKOSA-N 1 1 371.437 3.413 20 5 FGBDMO C[C@H](O)C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCCC1 ZINC000104965307 495319086 /nfs/dbraw/zinc/31/90/86/495319086.db2.gz FRSZYSDHJXRLJJ-ZDUSSCGKSA-N 1 1 360.414 3.160 20 5 FGBDMO C[C@@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)N1CCN(C)CC1 ZINC000105465798 495365226 /nfs/dbraw/zinc/36/52/26/495365226.db2.gz HAFNAWGAFHHTSX-HNNXBMFYSA-N 1 1 374.510 3.049 20 5 FGBDMO CCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000125200551 495405241 /nfs/dbraw/zinc/40/52/41/495405241.db2.gz FBEQWLCEASAQLO-QGZVFWFLSA-N 1 1 369.421 3.037 20 5 FGBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc([N+](=O)[O-])c1 ZINC000140098705 495489370 /nfs/dbraw/zinc/48/93/70/495489370.db2.gz UNACNBVWDZXTNL-AWEZNQCLSA-N 1 1 359.451 3.298 20 5 FGBDMO COc1ccc(OCC[N@@H+](C)[C@H](C)Cc2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC000125756496 495494181 /nfs/dbraw/zinc/49/41/81/495494181.db2.gz FCAIKJZXFJFGBG-CQSZACIVSA-N 1 1 360.410 3.251 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000185348163 495540870 /nfs/dbraw/zinc/54/08/70/495540870.db2.gz SXUUJYWROJRIND-FQEVSTJZSA-N 1 1 367.449 3.164 20 5 FGBDMO COc1cccc([C@H](C)[NH+]2CCN(c3cccc(OC)c3[N+](=O)[O-])CC2)c1 ZINC000185355446 495545057 /nfs/dbraw/zinc/54/50/57/495545057.db2.gz HBPDGLLCGGLXNQ-HNNXBMFYSA-N 1 1 371.437 3.495 20 5 FGBDMO COc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000170701161 495572756 /nfs/dbraw/zinc/57/27/56/495572756.db2.gz BBELJKPQBQRTFV-INIZCTEOSA-N 1 1 369.421 3.454 20 5 FGBDMO CCN(C[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1)CC(F)(F)F ZINC000176405238 495639659 /nfs/dbraw/zinc/63/96/59/495639659.db2.gz FOHIRXGMYYVMLI-LBPRGKRZSA-N 1 1 363.355 3.440 20 5 FGBDMO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCN(Cc2ccccc2)CC1 ZINC000154542037 495648633 /nfs/dbraw/zinc/64/86/33/495648633.db2.gz QQAWLIDUQKNBCB-OAQYLSRUSA-N 1 1 369.465 3.225 20 5 FGBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCN(Cc2ccccc2)CC1 ZINC000154542037 495648640 /nfs/dbraw/zinc/64/86/40/495648640.db2.gz QQAWLIDUQKNBCB-OAQYLSRUSA-N 1 1 369.465 3.225 20 5 FGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCOCc1ccccc1 ZINC000154672289 495690044 /nfs/dbraw/zinc/69/00/44/495690044.db2.gz ZMGSQGMBXBBSSY-HNNXBMFYSA-N 1 1 357.410 3.070 20 5 FGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CCOCc1ccccc1 ZINC000154672289 495690051 /nfs/dbraw/zinc/69/00/51/495690051.db2.gz ZMGSQGMBXBBSSY-HNNXBMFYSA-N 1 1 357.410 3.070 20 5 FGBDMO C[NH+](C)CCCC1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000179697245 495694822 /nfs/dbraw/zinc/69/48/22/495694822.db2.gz MHJSYLACIHUJML-UHFFFAOYSA-N 1 1 363.458 3.015 20 5 FGBDMO CN(C)c1cccc(C[N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000159796624 495811338 /nfs/dbraw/zinc/81/13/38/495811338.db2.gz GGBPAFDKTLYPRV-UHFFFAOYSA-N 1 1 367.409 3.343 20 5 FGBDMO CN(C)c1cccc(C[N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000159796624 495811340 /nfs/dbraw/zinc/81/13/40/495811340.db2.gz GGBPAFDKTLYPRV-UHFFFAOYSA-N 1 1 367.409 3.343 20 5 FGBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)[C@@H]1c1cccs1 ZINC000176878284 495823687 /nfs/dbraw/zinc/82/36/87/495823687.db2.gz NMODPNHMKVWRST-YVEFUNNKSA-N 1 1 374.466 3.051 20 5 FGBDMO COc1cc(C[N@@H+](C)C[C@H]2CCCOC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180086275 495852416 /nfs/dbraw/zinc/85/24/16/495852416.db2.gz YWQKOCGRPIGBDB-GFCCVEGCSA-N 1 1 374.384 3.106 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000180197388 495901726 /nfs/dbraw/zinc/90/17/26/495901726.db2.gz GUUBBWYWKZGAHL-QUCCMNQESA-N 1 1 353.422 3.089 20 5 FGBDMO COc1cc(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000180199052 495901926 /nfs/dbraw/zinc/90/19/26/495901926.db2.gz LHQQYEKQDCIDNZ-TXEJJXNPSA-N 1 1 356.369 3.335 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000180200030 495903280 /nfs/dbraw/zinc/90/32/80/495903280.db2.gz IRQGRBFPCCPBTA-MJGOQNOKSA-N 1 1 371.462 3.249 20 5 FGBDMO C[C@@H]1C[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000177192557 495968607 /nfs/dbraw/zinc/96/86/07/495968607.db2.gz IZKQWKIEKKZCFQ-QAPCUYQASA-N 1 1 368.437 3.057 20 5 FGBDMO C[C@H]([NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)c1cccc([N+](=O)[O-])c1 ZINC000180431506 495993309 /nfs/dbraw/zinc/99/33/09/495993309.db2.gz DDSFQNNBYHGGNN-JTQLQIEISA-N 1 1 370.434 3.232 20 5 FGBDMO O=c1cc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)c2c(ccc3ccccc32)o1 ZINC000177277332 496004086 /nfs/dbraw/zinc/00/40/86/496004086.db2.gz UTBOQOKXRYWIDQ-SFHVURJKSA-N 1 1 363.335 3.445 20 5 FGBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3cnc4ccccn34)CC2)cc1 ZINC000160867795 496057395 /nfs/dbraw/zinc/05/73/95/496057395.db2.gz KCKLQGXKTVYWPA-UHFFFAOYSA-N 1 1 352.394 3.286 20 5 FGBDMO CC(C)(C)N1C[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1=O ZINC000177564261 496114836 /nfs/dbraw/zinc/11/48/36/496114836.db2.gz PUVAQUPOHQLJAC-CYBMUJFWSA-N 1 1 374.466 3.207 20 5 FGBDMO O=[N+]([O-])c1cnn(CC[NH2+][C@H](c2cccc(Cl)c2)c2ccccn2)c1 ZINC000152359946 496126454 /nfs/dbraw/zinc/12/64/54/496126454.db2.gz PZGUYUQXVVCNMX-QGZVFWFLSA-N 1 1 357.801 3.219 20 5 FGBDMO CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000180824869 496159780 /nfs/dbraw/zinc/15/97/80/496159780.db2.gz IYVQNAVVDZNCNL-OAHLLOKOSA-N 1 1 357.410 3.155 20 5 FGBDMO O=C(CC[N@H+]1CCOC2(C1)CCCCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000152870665 496280945 /nfs/dbraw/zinc/28/09/45/496280945.db2.gz LPRBPGZTKKIPIO-UHFFFAOYSA-N 1 1 361.442 3.349 20 5 FGBDMO COc1cc(C[N@H+](C)CCOc2ccccc2F)c([N+](=O)[O-])cc1F ZINC000184231224 496297522 /nfs/dbraw/zinc/29/75/22/496297522.db2.gz ICUQUTCDQPIVMU-UHFFFAOYSA-N 1 1 352.337 3.392 20 5 FGBDMO COc1cc(C[N@@H+](C)CCOc2ccccc2F)c([N+](=O)[O-])cc1F ZINC000184231224 496297524 /nfs/dbraw/zinc/29/75/24/496297524.db2.gz ICUQUTCDQPIVMU-UHFFFAOYSA-N 1 1 352.337 3.392 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000181375825 496370505 /nfs/dbraw/zinc/37/05/05/496370505.db2.gz SUIDXSJOLMITRE-DZGCQCFKSA-N 1 1 363.483 3.404 20 5 FGBDMO COc1ccc(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)cc1[N+](=O)[O-] ZINC000184444388 496385975 /nfs/dbraw/zinc/38/59/75/496385975.db2.gz BWMTZVHAAMCYAV-AWEZNQCLSA-N 1 1 350.415 3.157 20 5 FGBDMO COc1ccc(C[N@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)cc1[N+](=O)[O-] ZINC000184444388 496385977 /nfs/dbraw/zinc/38/59/77/496385977.db2.gz BWMTZVHAAMCYAV-AWEZNQCLSA-N 1 1 350.415 3.157 20 5 FGBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000187316795 496390609 /nfs/dbraw/zinc/39/06/09/496390609.db2.gz FFYSSJOZBIOTMB-IBGZPJMESA-N 1 1 370.453 3.185 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CCc1ccncc1 ZINC000181495855 496419187 /nfs/dbraw/zinc/41/91/87/496419187.db2.gz POFMUZGJQUNSHQ-LBPRGKRZSA-N 1 1 362.817 3.145 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)CCc1ccncc1 ZINC000181495855 496419194 /nfs/dbraw/zinc/41/91/94/496419194.db2.gz POFMUZGJQUNSHQ-LBPRGKRZSA-N 1 1 362.817 3.145 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC(C4CCOCC4)CC3)o2)cc1 ZINC000153642976 496529819 /nfs/dbraw/zinc/52/98/19/496529819.db2.gz UKSYWWYQYLXADT-UHFFFAOYSA-N 1 1 372.425 3.283 20 5 FGBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000181791071 496546259 /nfs/dbraw/zinc/54/62/59/496546259.db2.gz RMSCMZKKFRHLBM-LLVKDONJSA-N 1 1 374.363 3.419 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCc2cccc(F)c2C1 ZINC000157833395 496566195 /nfs/dbraw/zinc/56/61/95/496566195.db2.gz RFWKZKDDUYUFSG-UHFFFAOYSA-N 1 1 373.384 3.129 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCc2cccc(F)c2C1 ZINC000157833395 496566202 /nfs/dbraw/zinc/56/62/02/496566202.db2.gz RFWKZKDDUYUFSG-UHFFFAOYSA-N 1 1 373.384 3.129 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CCCn1cc[nH+]c1C ZINC000184889403 496572336 /nfs/dbraw/zinc/57/23/36/496572336.db2.gz VVZATTHWYKRSCV-QGZVFWFLSA-N 1 1 358.442 3.217 20 5 FGBDMO COc1ccccc1[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000157944027 496591791 /nfs/dbraw/zinc/59/17/91/496591791.db2.gz UZXPXANFHGYMEJ-OAHLLOKOSA-N 1 1 369.421 3.422 20 5 FGBDMO COc1ccccc1[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000157967082 496597751 /nfs/dbraw/zinc/59/77/51/496597751.db2.gz FLUZHQHXLNQPJX-AWEZNQCLSA-N 1 1 370.405 3.459 20 5 FGBDMO Cc1ccc(C[N@@H+](CCO)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000181960725 496614590 /nfs/dbraw/zinc/61/45/90/496614590.db2.gz RNIXWVIFMNOKNK-UHFFFAOYSA-N 1 1 371.437 3.035 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1cccc(O)c1)CC1CC1 ZINC000173270572 496620939 /nfs/dbraw/zinc/62/09/39/496620939.db2.gz JZVTZOMPSRVWKS-UHFFFAOYSA-N 1 1 369.421 3.460 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1cccc(O)c1)CC1CC1 ZINC000173270572 496620944 /nfs/dbraw/zinc/62/09/44/496620944.db2.gz JZVTZOMPSRVWKS-UHFFFAOYSA-N 1 1 369.421 3.460 20 5 FGBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000182064793 496656179 /nfs/dbraw/zinc/65/61/79/496656179.db2.gz UCDMQJNNOMBQKA-MRXNPFEDSA-N 1 1 371.437 3.000 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000158421252 496697753 /nfs/dbraw/zinc/69/77/53/496697753.db2.gz YAFDUYGVBUPDTR-CHWSQXEVSA-N 1 1 351.472 3.262 20 5 FGBDMO Cc1cccc([C@@H]2CCC[N@H+]2C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000182219791 496712020 /nfs/dbraw/zinc/71/20/20/496712020.db2.gz GDIJJMZISUQULM-ROUUACIJSA-N 1 1 356.422 3.480 20 5 FGBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000182229418 496714471 /nfs/dbraw/zinc/71/44/71/496714471.db2.gz 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C[C@@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000273484665 496819578 /nfs/dbraw/zinc/81/95/78/496819578.db2.gz LZPXLRIIHFATDM-SWLSCSKDSA-N 1 1 357.439 3.268 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(SC)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000247445212 496859555 /nfs/dbraw/zinc/85/95/55/496859555.db2.gz PTNJOOCOKFEZBH-WFASDCNBSA-N 1 1 351.472 3.119 20 5 FGBDMO CC(C)[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000269443067 496948371 /nfs/dbraw/zinc/94/83/71/496948371.db2.gz AUEMAIMGSAXZHJ-UHFFFAOYSA-N 1 1 359.348 3.170 20 5 FGBDMO COc1cccc([C@H]2CCC[N@H+]2C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000198747380 496970004 /nfs/dbraw/zinc/97/00/04/496970004.db2.gz GADBLYRPSCXKQF-FXAWDEMLSA-N 1 1 372.421 3.180 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000189146899 497023726 /nfs/dbraw/zinc/02/37/26/497023726.db2.gz OYAPJTFCUQAQOD-UHFFFAOYSA-N 1 1 370.384 3.277 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC([C@@H]4CCCO4)CC3)n2)cc1 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361.354 3.184 20 5 FGBDMO C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272370328 497610197 /nfs/dbraw/zinc/61/01/97/497610197.db2.gz UEHDWALGKHECMN-QFBILLFUSA-N 1 1 367.449 3.164 20 5 FGBDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000272574773 497667479 /nfs/dbraw/zinc/66/74/79/497667479.db2.gz VOJVYGKHTUYJKE-AAEUAGOBSA-N 1 1 355.460 3.391 20 5 FGBDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000272574773 497667486 /nfs/dbraw/zinc/66/74/86/497667486.db2.gz VOJVYGKHTUYJKE-AAEUAGOBSA-N 1 1 355.460 3.391 20 5 FGBDMO COc1ccc(CC[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000272576438 497668701 /nfs/dbraw/zinc/66/87/01/497668701.db2.gz XGAMOBSUGQSCPR-LJQANCHMSA-N 1 1 366.421 3.259 20 5 FGBDMO COc1cc(C[NH2+][C@H]2CCOc3c(F)cccc32)c([N+](=O)[O-])cc1OC ZINC000191125890 497717384 /nfs/dbraw/zinc/71/73/84/497717384.db2.gz UIRJODPSJDGCGE-AWEZNQCLSA-N 1 1 362.357 3.365 20 5 FGBDMO 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CC[C@@H](c1ccncc1)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000299574939 497853714 /nfs/dbraw/zinc/85/37/14/497853714.db2.gz HJWUWINMPXFBFA-KRWDZBQOSA-N 1 1 372.425 3.410 20 5 FGBDMO COCCCOc1cccc(C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000364328911 497901775 /nfs/dbraw/zinc/90/17/75/497901775.db2.gz OZCZUPRDGIQNKM-KRWDZBQOSA-N 1 1 374.441 3.044 20 5 FGBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)c1 ZINC000364344623 497910802 /nfs/dbraw/zinc/91/08/02/497910802.db2.gz YVULNURMYPLOBM-INIZCTEOSA-N 1 1 370.388 3.158 20 5 FGBDMO Cc1c[nH+]cn1C1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000364367797 497923910 /nfs/dbraw/zinc/92/39/10/497923910.db2.gz FFARINRCSZSEMB-UHFFFAOYSA-N 1 1 365.393 3.125 20 5 FGBDMO C[C@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000301092698 497947433 /nfs/dbraw/zinc/94/74/33/497947433.db2.gz JPRJQOQREZJKLK-UONOGXRCSA-N 1 1 360.458 3.019 20 5 FGBDMO 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USYUZAZHIVSKNI-UHFFFAOYSA-N 1 1 359.382 3.462 20 5 FGBDMO CCc1cc(N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301526488 498148099 /nfs/dbraw/zinc/14/80/99/498148099.db2.gz HZNZDVXUUIETKT-RDTXWAMCSA-N 1 1 369.469 3.391 20 5 FGBDMO Cn1cc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000292815718 498155998 /nfs/dbraw/zinc/15/59/98/498155998.db2.gz PGCKZHREKAZQOD-WBVHZDCISA-N 1 1 362.380 3.472 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@H](Nc3ccccc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000301590553 498177643 /nfs/dbraw/zinc/17/76/43/498177643.db2.gz YTRHZSSQDZHZRW-OAHLLOKOSA-N 1 1 357.410 3.298 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000289590240 498207546 /nfs/dbraw/zinc/20/75/46/498207546.db2.gz PQTJFGYXYKQNKB-IEBWSBKVSA-N 1 1 373.453 3.265 20 5 FGBDMO C[C@H](C(=O)NCC[N@H+]1CCCC(C)(C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000330948109 498223631 /nfs/dbraw/zinc/22/36/31/498223631.db2.gz BSIUMJZTSGSTBP-ZDUSSCGKSA-N 1 1 351.422 3.076 20 5 FGBDMO CCO[C@H](CC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000569727934 506002055 /nfs/dbraw/zinc/00/20/55/506002055.db2.gz RWYUJJKAVJDUGV-MSOLQXFVSA-N 1 1 360.458 3.459 20 5 FGBDMO Cc1cc(F)c(NC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000296905783 498245276 /nfs/dbraw/zinc/24/52/76/498245276.db2.gz YEJLPKUSHMBFAU-GFCCVEGCSA-N 1 1 364.421 3.380 20 5 FGBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000331098562 498252753 /nfs/dbraw/zinc/25/27/53/498252753.db2.gz BRMWQSOHOSMPCN-LBPRGKRZSA-N 1 1 369.412 3.042 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000360323196 498265643 /nfs/dbraw/zinc/26/56/43/498265643.db2.gz NIXCETWFNKRMCL-KRWDZBQOSA-N 1 1 368.437 3.191 20 5 FGBDMO O=[N+]([O-])c1cc(F)c(NCc2ccc(C[NH+]3CCOCC3)cc2)c(F)c1 ZINC000301802054 498270740 /nfs/dbraw/zinc/27/07/40/498270740.db2.gz UDXSTAXHDCRKTQ-UHFFFAOYSA-N 1 1 363.364 3.317 20 5 FGBDMO CC(C)[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000293159191 498290050 /nfs/dbraw/zinc/29/00/50/498290050.db2.gz WOZAIWUIRJGBCD-UHFFFAOYSA-N 1 1 359.348 3.170 20 5 FGBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCCC3(CCCC3)C2)cc1 ZINC000331410618 498323511 /nfs/dbraw/zinc/32/35/11/498323511.db2.gz NIIHEVYCDYOTFL-UHFFFAOYSA-N 1 1 352.456 3.025 20 5 FGBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCCC3(CCCC3)C2)cc1 ZINC000331410618 498323518 /nfs/dbraw/zinc/32/35/18/498323518.db2.gz NIIHEVYCDYOTFL-UHFFFAOYSA-N 1 1 352.456 3.025 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000331481625 498344440 /nfs/dbraw/zinc/34/44/40/498344440.db2.gz JOONDPUQUWAMFB-BLLLJJGKSA-N 1 1 363.483 3.308 20 5 FGBDMO C[C@@H]1C[C@@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)CC[N@H+]1Cc1ccccc1 ZINC000301960174 498345386 /nfs/dbraw/zinc/34/53/86/498345386.db2.gz MFNRXHVIQDYLDE-ZBFHGGJFSA-N 1 1 366.425 3.103 20 5 FGBDMO CCN1CC[NH+](Cc2ccccc2CNc2sccc2[N+](=O)[O-])CC1 ZINC000301978609 498353627 /nfs/dbraw/zinc/35/36/27/498353627.db2.gz FFEPANZGCLMXGK-UHFFFAOYSA-N 1 1 360.483 3.406 20 5 FGBDMO Cc1cc(N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000301985452 498356660 /nfs/dbraw/zinc/35/66/60/498356660.db2.gz SXZFOFRLJNHMQX-IEBWSBKVSA-N 1 1 355.438 3.198 20 5 FGBDMO O=[N+]([O-])c1cc(F)ccc1NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000302035624 498378898 /nfs/dbraw/zinc/37/88/98/498378898.db2.gz FLJKJFJZWVRIKU-QGZVFWFLSA-N 1 1 359.401 3.303 20 5 FGBDMO Nc1ccc(N2CCN(c3c(Cl)cc([N+](=O)[O-])cc3Cl)CC2)c[nH+]1 ZINC000302041861 498381066 /nfs/dbraw/zinc/38/10/66/498381066.db2.gz RVWYSKZMOHCGPK-UHFFFAOYSA-N 1 1 368.224 3.205 20 5 FGBDMO Cc1ccnc(Nc2cccc3c2CC[N@@H+](CC(C)(C)O)C3)c1[N+](=O)[O-] ZINC000302124727 498411519 /nfs/dbraw/zinc/41/15/19/498411519.db2.gz FKMVXFYBCXCBRB-UHFFFAOYSA-N 1 1 356.426 3.171 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@H](OC)C[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000282276041 498448912 /nfs/dbraw/zinc/44/89/12/498448912.db2.gz HVQZSFPURNQCNY-YPMHNXCESA-N 1 1 374.384 3.247 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@H](OC)C[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000282276041 498448919 /nfs/dbraw/zinc/44/89/19/498448919.db2.gz HVQZSFPURNQCNY-YPMHNXCESA-N 1 1 374.384 3.247 20 5 FGBDMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282547736 498555092 /nfs/dbraw/zinc/55/50/92/498555092.db2.gz WUXZAZYAIWWXAQ-AWEZNQCLSA-N 1 1 362.451 3.234 20 5 FGBDMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282547736 498555097 /nfs/dbraw/zinc/55/50/97/498555097.db2.gz WUXZAZYAIWWXAQ-AWEZNQCLSA-N 1 1 362.451 3.234 20 5 FGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000302755780 498561405 /nfs/dbraw/zinc/56/14/05/498561405.db2.gz IOPMMOPMCHEQSO-GASCZTMLSA-N 1 1 366.893 3.243 20 5 FGBDMO O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000572807794 506056097 /nfs/dbraw/zinc/05/60/97/506056097.db2.gz JDWMQJHDAILARF-LJQANCHMSA-N 1 1 370.453 3.142 20 5 FGBDMO CC[NH+]1CCN(C[C@H](C)CNc2c(C)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000302812749 498584128 /nfs/dbraw/zinc/58/41/28/498584128.db2.gz HLGJEPFXIGQXCI-CYBMUJFWSA-N 1 1 354.882 3.242 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C1CCC(F)(F)CC1 ZINC000287008945 498590096 /nfs/dbraw/zinc/59/00/96/498590096.db2.gz QORCBNYTGYXSDG-UHFFFAOYSA-N 1 1 357.357 3.052 20 5 FGBDMO Cc1[nH+]cn(Cc2cc(I)cc([N+](=O)[O-])c2)c1C ZINC000581754290 506060749 /nfs/dbraw/zinc/06/07/49/506060749.db2.gz KGEBRSGPBVTWCJ-UHFFFAOYSA-N 1 1 357.151 3.061 20 5 FGBDMO O=C(Nc1nccs1)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000363023710 498609669 /nfs/dbraw/zinc/60/96/69/498609669.db2.gz RGJZZHVXIOWAID-LLVKDONJSA-N 1 1 364.402 3.041 20 5 FGBDMO O=C(Nc1nccs1)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000363023710 498609674 /nfs/dbraw/zinc/60/96/74/498609674.db2.gz RGJZZHVXIOWAID-LLVKDONJSA-N 1 1 364.402 3.041 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000332454792 498692865 /nfs/dbraw/zinc/69/28/65/498692865.db2.gz GECYPIIOBTWINF-OFQRWUPVSA-N 1 1 363.483 3.161 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000332454792 498692869 /nfs/dbraw/zinc/69/28/69/498692869.db2.gz GECYPIIOBTWINF-OFQRWUPVSA-N 1 1 363.483 3.161 20 5 FGBDMO C[C@@H]1CCCN(c2ccc(C(=O)N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2[N+](=O)[O-])C1 ZINC000332563669 498727437 /nfs/dbraw/zinc/72/74/37/498727437.db2.gz WHMISLWHCOVDOG-HLLBOEOZSA-N 1 1 374.485 3.044 20 5 FGBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283203781 498815956 /nfs/dbraw/zinc/81/59/56/498815956.db2.gz RMZCBXVRBYLLET-OCCSQVGLSA-N 1 1 367.421 3.469 20 5 FGBDMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000291184717 498834277 /nfs/dbraw/zinc/83/42/77/498834277.db2.gz ONGYKFPPGQMAHN-KATXQCMRSA-N 1 1 362.470 3.280 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCC(OC2CCOCC2)CC1 ZINC000363495879 498849160 /nfs/dbraw/zinc/84/91/60/498849160.db2.gz LWSPCQWBPWKQSX-UHFFFAOYSA-N 1 1 354.834 3.408 20 5 FGBDMO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)Cc1ccccc1N1CCOCC1 ZINC000283391322 498872653 /nfs/dbraw/zinc/87/26/53/498872653.db2.gz DJRVNFOGIFHORK-UHFFFAOYSA-N 1 1 359.401 3.203 20 5 FGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)Cc1ccccc1N1CCOCC1 ZINC000283391322 498872660 /nfs/dbraw/zinc/87/26/60/498872660.db2.gz DJRVNFOGIFHORK-UHFFFAOYSA-N 1 1 359.401 3.203 20 5 FGBDMO CC(C)(CCC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)[N+](=O)[O-] ZINC000295076936 498900431 /nfs/dbraw/zinc/90/04/31/498900431.db2.gz WLSPZQDYVVIBKZ-OALUTQOASA-N 1 1 373.497 3.335 20 5 FGBDMO Cc1cc(Cl)c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000295106597 498912022 /nfs/dbraw/zinc/91/20/22/498912022.db2.gz ZOITVKIEAQOUKK-IUODEOHRSA-N 1 1 351.834 3.113 20 5 FGBDMO Cc1ccnc(-c2noc(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])n2)c1 ZINC000295162433 498930280 /nfs/dbraw/zinc/93/02/80/498930280.db2.gz HATVJNKXWCTEPI-UHFFFAOYSA-N 1 1 353.382 3.023 20 5 FGBDMO Cc1ccnc(-c2noc(C[N@@H+](C)CCc3ccccc3[N+](=O)[O-])n2)c1 ZINC000295162433 498930286 /nfs/dbraw/zinc/93/02/86/498930286.db2.gz HATVJNKXWCTEPI-UHFFFAOYSA-N 1 1 353.382 3.023 20 5 FGBDMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283701798 498961820 /nfs/dbraw/zinc/96/18/20/498961820.db2.gz YKKPPAXUHCVPPU-ZDUSSCGKSA-N 1 1 353.394 3.081 20 5 FGBDMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283701798 498961827 /nfs/dbraw/zinc/96/18/27/498961827.db2.gz YKKPPAXUHCVPPU-ZDUSSCGKSA-N 1 1 353.394 3.081 20 5 FGBDMO COc1cc(N2CC[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)ccc1F ZINC000573109748 506120678 /nfs/dbraw/zinc/12/06/78/506120678.db2.gz LFHBFICLOQCUFC-UHFFFAOYSA-N 1 1 359.401 3.373 20 5 FGBDMO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[C@H]1C ZINC000333343757 498986558 /nfs/dbraw/zinc/98/65/58/498986558.db2.gz PRJYQYRSFNNAJT-CABCVRRESA-N 1 1 363.461 3.236 20 5 FGBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[C@H]1C ZINC000333343757 498986560 /nfs/dbraw/zinc/98/65/60/498986560.db2.gz PRJYQYRSFNNAJT-CABCVRRESA-N 1 1 363.461 3.236 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cn1 ZINC000363796846 498996857 /nfs/dbraw/zinc/99/68/57/498996857.db2.gz SKHUGDINKVRVGU-NSHDSACASA-N 1 1 369.356 3.365 20 5 FGBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3cc(C(F)(F)F)ccc3[N+](=O)[O-])C2)C1 ZINC000295563556 499052200 /nfs/dbraw/zinc/05/22/00/499052200.db2.gz JYCAJHBRKDKIMO-INIZCTEOSA-N 1 1 371.359 3.172 20 5 FGBDMO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000295772250 499098676 /nfs/dbraw/zinc/09/86/76/499098676.db2.gz SQCHNCMTPBVROK-OPQQBVKSSA-N 1 1 359.348 3.245 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000284480320 499114136 /nfs/dbraw/zinc/11/41/36/499114136.db2.gz TVFXKCLAPVOTKU-KDOFPFPSSA-N 1 1 373.453 3.082 20 5 FGBDMO COCC[C@@H]1CCCC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000364158022 499125484 /nfs/dbraw/zinc/12/54/84/499125484.db2.gz HPPJKKAQJBQQFL-AWEZNQCLSA-N 1 1 360.414 3.283 20 5 FGBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000367393060 499193564 /nfs/dbraw/zinc/19/35/64/499193564.db2.gz YCTKHCPSPVMKEX-HNNXBMFYSA-N 1 1 357.454 3.498 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1CCN(Cc2ccncc2)CC1 ZINC000367558255 499212352 /nfs/dbraw/zinc/21/23/52/499212352.db2.gz ZARWFAQCFAXNJL-UHFFFAOYSA-N 1 1 370.453 3.095 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1CCN(Cc2ccncc2)CC1 ZINC000367558255 499212354 /nfs/dbraw/zinc/21/23/54/499212354.db2.gz ZARWFAQCFAXNJL-UHFFFAOYSA-N 1 1 370.453 3.095 20 5 FGBDMO COC[C@@H]1CCCC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000368665859 499319634 /nfs/dbraw/zinc/31/96/34/499319634.db2.gz IWIWUZCDEFWRLJ-OAHLLOKOSA-N 1 1 358.442 3.244 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@H](C[C@@H]4CCOC4)C3)n2)c1 ZINC000371449487 499327864 /nfs/dbraw/zinc/32/78/64/499327864.db2.gz VSXCCNFSFIJTRP-CABCVRRESA-N 1 1 372.425 3.283 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@H](C[C@@H]4CCOC4)C3)n2)c1 ZINC000371449488 499327875 /nfs/dbraw/zinc/32/78/75/499327875.db2.gz VSXCCNFSFIJTRP-GJZGRUSLSA-N 1 1 372.425 3.283 20 5 FGBDMO Cn1cc(C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c(-c2cccs2)n1 ZINC000372271661 499415753 /nfs/dbraw/zinc/41/57/53/499415753.db2.gz CVMTZXQSDUTBDU-AWEZNQCLSA-N 1 1 372.454 3.090 20 5 FGBDMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H]1c1cccs1 ZINC000369567325 499419238 /nfs/dbraw/zinc/41/92/38/499419238.db2.gz HOHQIZZCYAZXEI-MEDUHNTESA-N 1 1 363.414 3.218 20 5 FGBDMO C[N@H+]1CC[C@H](CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccs1 ZINC000369568129 499419247 /nfs/dbraw/zinc/41/92/47/499419247.db2.gz KBAUDRWSYGPMIO-LRPGSQBCSA-N 1 1 371.462 3.479 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])o1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000372311747 499419546 /nfs/dbraw/zinc/41/95/46/499419546.db2.gz NRCKPAJQBBVKQD-UHFFFAOYSA-N 1 1 369.421 3.316 20 5 FGBDMO COc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(CNC(C)=O)o2)cc1[N+](=O)[O-] ZINC000373347003 499464554 /nfs/dbraw/zinc/46/45/54/499464554.db2.gz KYCNNUHFTRBXHW-INIZCTEOSA-N 1 1 373.409 3.170 20 5 FGBDMO COc1ccc(C[N@H+]2CCC[C@H]2c2ccc(CNC(C)=O)o2)cc1[N+](=O)[O-] ZINC000373347003 499464555 /nfs/dbraw/zinc/46/45/55/499464555.db2.gz KYCNNUHFTRBXHW-INIZCTEOSA-N 1 1 373.409 3.170 20 5 FGBDMO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1nnc(-c2ccncc2F)s1 ZINC000373467402 499471665 /nfs/dbraw/zinc/47/16/65/499471665.db2.gz GJZQJJXZZFVERC-HWKANZROSA-N 1 1 371.397 3.450 20 5 FGBDMO O=C(NCc1c[nH+]c2n1CCCC2)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000375378130 499511997 /nfs/dbraw/zinc/51/19/97/499511997.db2.gz LIJFKQQJPOERSE-UHFFFAOYSA-N 1 1 356.407 3.272 20 5 FGBDMO Cc1cccc(N2CCC(NC(=O)c3cc([N+](=O)[O-])cc(C)c3F)CC2)[nH+]1 ZINC000375425326 499517176 /nfs/dbraw/zinc/51/71/76/499517176.db2.gz MALZGAPOPXIWNY-UHFFFAOYSA-N 1 1 372.400 3.145 20 5 FGBDMO CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000378448084 499517911 /nfs/dbraw/zinc/51/79/11/499517911.db2.gz CUOYIKDGEAGVGZ-AWEZNQCLSA-N 1 1 357.414 3.359 20 5 FGBDMO COc1ccccc1-c1nnc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000375658684 499541876 /nfs/dbraw/zinc/54/18/76/499541876.db2.gz CLEIODQCDWOOSR-UHFFFAOYSA-N 1 1 368.393 3.328 20 5 FGBDMO COc1ccccc1-c1nnc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000375658684 499541877 /nfs/dbraw/zinc/54/18/77/499541877.db2.gz CLEIODQCDWOOSR-UHFFFAOYSA-N 1 1 368.393 3.328 20 5 FGBDMO CNC(=O)c1ccc(NC(C)(C)C[N@@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000379644386 499542180 /nfs/dbraw/zinc/54/21/80/499542180.db2.gz CERFAPFDRUOHPE-UHFFFAOYSA-N 1 1 370.453 3.277 20 5 FGBDMO CNc1ccc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000390713150 499554904 /nfs/dbraw/zinc/55/49/04/499554904.db2.gz BFCNHYBJPQBWMT-QGZVFWFLSA-N 1 1 368.437 3.031 20 5 FGBDMO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000398005743 499565505 /nfs/dbraw/zinc/56/55/05/499565505.db2.gz YUWXETSWLPGYAH-LAUBAEHRSA-N 1 1 369.465 3.474 20 5 FGBDMO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411217508 499712641 /nfs/dbraw/zinc/71/26/41/499712641.db2.gz MERXBPXFUMMNJJ-BEFAXECRSA-N 1 1 369.421 3.385 20 5 FGBDMO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411217508 499712642 /nfs/dbraw/zinc/71/26/42/499712642.db2.gz MERXBPXFUMMNJJ-BEFAXECRSA-N 1 1 369.421 3.385 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]cc(Cc3noc([C@H]4CCCc5[nH+]ccn54)n3)c2c1 ZINC000377749251 499728060 /nfs/dbraw/zinc/72/80/60/499728060.db2.gz SLXIGPOLGZTXPK-OAHLLOKOSA-N 1 1 364.365 3.172 20 5 FGBDMO CC[C@@H](CO)[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000411508581 499749012 /nfs/dbraw/zinc/74/90/12/499749012.db2.gz VEJJOIOGKSIWNC-SFHVURJKSA-N 1 1 371.437 3.197 20 5 FGBDMO CCOc1cccc(NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000377993203 499754262 /nfs/dbraw/zinc/75/42/62/499754262.db2.gz TYCDRVSMQPUOAI-YJBOKZPZSA-N 1 1 356.426 3.493 20 5 FGBDMO CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000414500106 499799874 /nfs/dbraw/zinc/79/98/74/499799874.db2.gz PQRIOYWRNZXPJQ-CQSZACIVSA-N 1 1 359.451 3.233 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000411918868 499803339 /nfs/dbraw/zinc/80/33/39/499803339.db2.gz ALXXUKQLVYOCEZ-MJGOQNOKSA-N 1 1 369.421 3.040 20 5 FGBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)C1 ZINC000412165193 499829560 /nfs/dbraw/zinc/82/95/60/499829560.db2.gz WWLGRXPDOKITHL-HNNXBMFYSA-N 1 1 363.458 3.186 20 5 FGBDMO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000412200139 499833121 /nfs/dbraw/zinc/83/31/21/499833121.db2.gz HZBMZTVOHLOFBE-NMLACTOBSA-N 1 1 369.465 3.174 20 5 FGBDMO C[C@@H](C(=O)N1CCC[N@@H+](CC2CCC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000412312675 499844062 /nfs/dbraw/zinc/84/40/62/499844062.db2.gz PWEBSJWPNOZOIC-CQSZACIVSA-N 1 1 363.433 3.172 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000412695130 499876760 /nfs/dbraw/zinc/87/67/60/499876760.db2.gz IMBKWSAGWPHXGF-MRXNPFEDSA-N 1 1 353.422 3.250 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000412695130 499876762 /nfs/dbraw/zinc/87/67/62/499876762.db2.gz IMBKWSAGWPHXGF-MRXNPFEDSA-N 1 1 353.422 3.250 20 5 FGBDMO COCC[N@@H+](C)CC[C@H](Nc1ncc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000413128580 499917389 /nfs/dbraw/zinc/91/73/89/499917389.db2.gz WRDFIVORIJEXEL-KRWDZBQOSA-N 1 1 362.405 3.250 20 5 FGBDMO CNC(=O)[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000421377084 500032297 /nfs/dbraw/zinc/03/22/97/500032297.db2.gz HKIDPQPMGXFIOJ-LLVKDONJSA-N 1 1 363.801 3.076 20 5 FGBDMO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1nnc3n1CCCCC3)CCCC2 ZINC000417320109 500038965 /nfs/dbraw/zinc/03/89/65/500038965.db2.gz IVCVHGADPGLMQJ-QGZVFWFLSA-N 1 1 355.442 3.470 20 5 FGBDMO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC[N@H+](C2CCC2)C1 ZINC000413823809 500067527 /nfs/dbraw/zinc/06/75/27/500067527.db2.gz BBLBOZQZXQUUOH-ZOCIIQOWSA-N 1 1 357.454 3.031 20 5 FGBDMO COC(=O)CC[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C(C)C ZINC000425399700 500094645 /nfs/dbraw/zinc/09/46/45/500094645.db2.gz DUDHUGQIIZKKLX-UHFFFAOYSA-N 1 1 359.220 3.131 20 5 FGBDMO C[N@H+]1CCC[C@@H]2CN(Cc3ccc(Br)cc3[N+](=O)[O-])CC[C@H]21 ZINC000425428426 500103151 /nfs/dbraw/zinc/10/31/51/500103151.db2.gz WVZZJZBVHQZIPK-IUODEOHRSA-N 1 1 368.275 3.273 20 5 FGBDMO C[C@H]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000429578118 500107493 /nfs/dbraw/zinc/10/74/93/500107493.db2.gz LNRIYECZHGVCSP-WDEREUQCSA-N 1 1 370.247 3.416 20 5 FGBDMO COc1cc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000425498397 500124750 /nfs/dbraw/zinc/12/47/50/500124750.db2.gz FVLYAHFZWJGJEO-AZUAARDMSA-N 1 1 367.449 3.310 20 5 FGBDMO C[C@@H]1CCc2nc(C[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)sc2C1 ZINC000425970808 500219090 /nfs/dbraw/zinc/21/90/90/500219090.db2.gz JNEYKHWLUOCCBH-GFCCVEGCSA-N 1 1 361.471 3.210 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000430351368 500229962 /nfs/dbraw/zinc/22/99/62/500229962.db2.gz JTSSCBUATFHXGI-MRXNPFEDSA-N 1 1 369.421 3.088 20 5 FGBDMO C[C@H]1OCC[C@]1(O)C[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000576552188 506184467 /nfs/dbraw/zinc/18/44/67/506184467.db2.gz FAAIOANQIQJOCM-UZLBHIALSA-N 1 1 356.422 3.137 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@H]2CCO)cc1OC ZINC000426271402 500255607 /nfs/dbraw/zinc/25/56/07/500255607.db2.gz NZBJWNCSBKPOOO-HOCLYGCPSA-N 1 1 366.458 3.375 20 5 FGBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@H]2CCO)cc1OC ZINC000426271403 500255622 /nfs/dbraw/zinc/25/56/22/500255622.db2.gz NZBJWNCSBKPOOO-ZBFHGGJFSA-N 1 1 366.458 3.375 20 5 FGBDMO CC(C)(NC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000431668537 500406047 /nfs/dbraw/zinc/40/60/47/500406047.db2.gz ZAFHGHDDGXRHHS-QGZVFWFLSA-N 1 1 374.485 3.394 20 5 FGBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000431688046 500409280 /nfs/dbraw/zinc/40/92/80/500409280.db2.gz AYWDNCCEKUWYJB-INIZCTEOSA-N 1 1 362.474 3.394 20 5 FGBDMO CC[NH+](CC)[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccsc1 ZINC000427907391 500444523 /nfs/dbraw/zinc/44/45/23/500444523.db2.gz KWDDFYQVKPATMK-MRXNPFEDSA-N 1 1 363.439 3.175 20 5 FGBDMO C[C@H]1C[C@@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000420594321 500475997 /nfs/dbraw/zinc/47/59/97/500475997.db2.gz DIBVCCWEPQFIKT-HOCLYGCPSA-N 1 1 368.437 3.159 20 5 FGBDMO C[C@@]1(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCC[N@@H+]1Cc1ccccc1 ZINC000428323194 500495383 /nfs/dbraw/zinc/49/53/83/500495383.db2.gz BALNMTNFFFXTCZ-FQEVSTJZSA-N 1 1 369.421 3.085 20 5 FGBDMO C[C@@]1(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCC[N@H+]1Cc1ccccc1 ZINC000428323194 500495385 /nfs/dbraw/zinc/49/53/85/500495385.db2.gz BALNMTNFFFXTCZ-FQEVSTJZSA-N 1 1 369.421 3.085 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C2CCCC2)C1 ZINC000420959807 500541472 /nfs/dbraw/zinc/54/14/72/500541472.db2.gz FNRZOYMLHQQEIX-OAHLLOKOSA-N 1 1 361.442 3.444 20 5 FGBDMO Cc1cc(NCCC[N@H+]2CCCO[C@H](C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000432871037 500581109 /nfs/dbraw/zinc/58/11/09/500581109.db2.gz JJACPZHZUQUQTR-OAHLLOKOSA-N 1 1 358.442 3.364 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000447689225 500646806 /nfs/dbraw/zinc/64/68/06/500646806.db2.gz KIAWYMMIJQMABK-CQSZACIVSA-N 1 1 351.410 3.182 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437833244 500702828 /nfs/dbraw/zinc/70/28/28/500702828.db2.gz AZEKCWRAUAOOBE-INIZCTEOSA-N 1 1 361.442 3.130 20 5 FGBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000438286320 500763105 /nfs/dbraw/zinc/76/31/05/500763105.db2.gz VEOMBFRCBOKMPP-OAHLLOKOSA-N 1 1 373.453 3.132 20 5 FGBDMO CC(C)c1n[nH]c(C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000433979016 500775422 /nfs/dbraw/zinc/77/54/22/500775422.db2.gz AFXWEMGTHZWFHC-HIFRSBDPSA-N 1 1 371.441 3.007 20 5 FGBDMO CC1(C)CCC[N@@H+](CCNCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000444013225 500792229 /nfs/dbraw/zinc/79/22/29/500792229.db2.gz XZKLKRZGZGDRPK-UHFFFAOYSA-N 1 1 357.401 3.408 20 5 FGBDMO CC1(C)CCCN(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000444013225 500792231 /nfs/dbraw/zinc/79/22/31/500792231.db2.gz XZKLKRZGZGDRPK-UHFFFAOYSA-N 1 1 357.401 3.408 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000434447073 500843637 /nfs/dbraw/zinc/84/36/37/500843637.db2.gz SXMNHRUHCOXQRW-OAHLLOKOSA-N 1 1 363.483 3.454 20 5 FGBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000448822189 500844358 /nfs/dbraw/zinc/84/43/58/500844358.db2.gz JOTSCBVODRJNOB-NSHDSACASA-N 1 1 359.348 3.075 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCSC(C)(C)CC1 ZINC000434713432 500883042 /nfs/dbraw/zinc/88/30/42/500883042.db2.gz HLIBGEHZIZCPTE-GFCCVEGCSA-N 1 1 367.471 3.148 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCSC(C)(C)CC1 ZINC000434713432 500883044 /nfs/dbraw/zinc/88/30/44/500883044.db2.gz HLIBGEHZIZCPTE-GFCCVEGCSA-N 1 1 367.471 3.148 20 5 FGBDMO CCC[C@]1(CO)CCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000444775572 500897440 /nfs/dbraw/zinc/89/74/40/500897440.db2.gz JMQFHWVOSYDPEU-LJQANCHMSA-N 1 1 359.426 3.419 20 5 FGBDMO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000434900571 500909551 /nfs/dbraw/zinc/90/95/51/500909551.db2.gz NVSOWJRBVFGONR-KXBFYZLASA-N 1 1 365.433 3.362 20 5 FGBDMO C[C@H](CN1CCOCC1)[N@@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000435055904 500928216 /nfs/dbraw/zinc/92/82/16/500928216.db2.gz JVZHFVIFKZIPDF-OAHLLOKOSA-N 1 1 359.426 3.007 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)o1 ZINC000449437058 501002656 /nfs/dbraw/zinc/00/26/56/501002656.db2.gz YOVBHXXLZUPAIR-KHYOSLBOSA-N 1 1 372.421 3.217 20 5 FGBDMO CS[C@H]1CN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C[C@H]1[NH+]1CCCC1 ZINC000445606572 501009688 /nfs/dbraw/zinc/00/96/88/501009688.db2.gz DFBRWBCTPSKVJZ-MOPGFXCFSA-N 1 1 372.494 3.467 20 5 FGBDMO Cn1c2ccc(C[N@H+]3CCC[C@H](c4ccc([N+](=O)[O-])cc4)C3)cc2oc1=O ZINC000449503114 501019854 /nfs/dbraw/zinc/01/98/54/501019854.db2.gz SUVLZNCMHQBPST-INIZCTEOSA-N 1 1 367.405 3.419 20 5 FGBDMO Cc1nc(Nc2cccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2)ncc1[N+](=O)[O-] ZINC000450343007 501095596 /nfs/dbraw/zinc/09/55/96/501095596.db2.gz VPBHJPFDYXTNJJ-BETUJISGSA-N 1 1 357.414 3.046 20 5 FGBDMO Cc1nc(Nc2cccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2)ncc1[N+](=O)[O-] ZINC000450343007 501095600 /nfs/dbraw/zinc/09/56/00/501095600.db2.gz VPBHJPFDYXTNJJ-BETUJISGSA-N 1 1 357.414 3.046 20 5 FGBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N(C)CCCn1cc[nH+]c1C ZINC000450386977 501108038 /nfs/dbraw/zinc/10/80/38/501108038.db2.gz GDEHJBONUOWOEM-UHFFFAOYSA-N 1 1 355.398 3.183 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2csc(NC[C@@H]3CCCn4cc[nH+]c43)n2)cc1 ZINC000450395158 501110364 /nfs/dbraw/zinc/11/03/64/501110364.db2.gz UISXLIXQAZMQSO-ZDUSSCGKSA-N 1 1 355.423 3.326 20 5 FGBDMO CCS(=O)(=O)c1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000450977580 501236340 /nfs/dbraw/zinc/23/63/40/501236340.db2.gz VXLKCVNSYIHCNT-UHFFFAOYSA-N 1 1 362.451 3.063 20 5 FGBDMO CCS(=O)(=O)c1ccc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000450977580 501236341 /nfs/dbraw/zinc/23/63/41/501236341.db2.gz VXLKCVNSYIHCNT-UHFFFAOYSA-N 1 1 362.451 3.063 20 5 FGBDMO C[C@@]12C[N@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451358555 501274198 /nfs/dbraw/zinc/27/41/98/501274198.db2.gz BXIFPNNRFPIWOA-MCTLKSGKSA-N 1 1 361.829 3.331 20 5 FGBDMO C[C@@]12C[N@@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451358555 501274201 /nfs/dbraw/zinc/27/42/01/501274201.db2.gz BXIFPNNRFPIWOA-MCTLKSGKSA-N 1 1 361.829 3.331 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)cccc1[N+](=O)[O-] ZINC000451358532 501274586 /nfs/dbraw/zinc/27/45/86/501274586.db2.gz BUUWMYLMQBTJDJ-OLPIVMHESA-N 1 1 355.438 3.376 20 5 FGBDMO COC(=O)c1ccc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)nc1 ZINC000451545491 501319318 /nfs/dbraw/zinc/31/93/18/501319318.db2.gz HNFXVOBREZAFSA-INIZCTEOSA-N 1 1 355.394 3.156 20 5 FGBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3nc(CC(F)(F)F)no3)C2)cc1 ZINC000451551222 501320576 /nfs/dbraw/zinc/32/05/76/501320576.db2.gz TXCXXMIUPGDSJY-LBPRGKRZSA-N 1 1 370.331 3.462 20 5 FGBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3nc(CC(F)(F)F)no3)C2)cc1 ZINC000451551222 501320578 /nfs/dbraw/zinc/32/05/78/501320578.db2.gz TXCXXMIUPGDSJY-LBPRGKRZSA-N 1 1 370.331 3.462 20 5 FGBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](C[C@H](O)COCc3ccccc3)C2)cc1 ZINC000451553274 501321889 /nfs/dbraw/zinc/32/18/89/501321889.db2.gz YAPROYKCPAEMCW-FPOVZHCZSA-N 1 1 370.449 3.352 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451700077 501354336 /nfs/dbraw/zinc/35/43/36/501354336.db2.gz XDCDLEWTCHZHRR-MMTVNHQJSA-N 1 1 372.425 3.189 20 5 FGBDMO C[N@H+]1CCC[C@@H](CCNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000458202332 501391292 /nfs/dbraw/zinc/39/12/92/501391292.db2.gz HWEDRYUOIYMAHB-NSHDSACASA-N 1 1 359.348 3.075 20 5 FGBDMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000456122577 501459369 /nfs/dbraw/zinc/45/93/69/501459369.db2.gz OKWIIQYWARLYSL-UHFFFAOYSA-N 1 1 367.449 3.308 20 5 FGBDMO C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000456300294 501491643 /nfs/dbraw/zinc/49/16/43/501491643.db2.gz GLIOMIMFFABYFE-KRWDZBQOSA-N 1 1 367.449 3.118 20 5 FGBDMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000452717139 501550652 /nfs/dbraw/zinc/55/06/52/501550652.db2.gz OOJLBLURVBCPDA-UHFFFAOYSA-N 1 1 367.449 3.308 20 5 FGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000602694404 506264357 /nfs/dbraw/zinc/26/43/57/506264357.db2.gz MKRRBBGVZIQDTO-ZDUSSCGKSA-N 1 1 355.320 3.042 20 5 FGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000602694404 506264363 /nfs/dbraw/zinc/26/43/63/506264363.db2.gz MKRRBBGVZIQDTO-ZDUSSCGKSA-N 1 1 355.320 3.042 20 5 FGBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC000457100250 501650478 /nfs/dbraw/zinc/65/04/78/501650478.db2.gz WJZDTUBNUWMCGK-INIZCTEOSA-N 1 1 368.437 3.212 20 5 FGBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](CCSc2ccc(F)cc2)CC1 ZINC000459500506 501664882 /nfs/dbraw/zinc/66/48/82/501664882.db2.gz YKDDYFMOXWKMBL-UHFFFAOYSA-N 1 1 362.430 3.043 20 5 FGBDMO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCC[C@H]1c1ccccc1 ZINC000459673660 501696936 /nfs/dbraw/zinc/69/69/36/501696936.db2.gz JJMPBICTFVBSBK-ZWKOTPCHSA-N 1 1 353.422 3.462 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC4(CCC4)[C@@H]4COC[C@H]43)o2)c1 ZINC000459684238 501698666 /nfs/dbraw/zinc/69/86/66/501698666.db2.gz UMKNBFNYXGKJHA-IAGOWNOFSA-N 1 1 369.421 3.293 20 5 FGBDMO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000459778237 501712665 /nfs/dbraw/zinc/71/26/65/501712665.db2.gz ZJAVXDNZKGEJST-YOEHRIQHSA-N 1 1 362.401 3.037 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000460151940 501742070 /nfs/dbraw/zinc/74/20/70/501742070.db2.gz XXGUPIJTPDJVNG-INIZCTEOSA-N 1 1 353.422 3.250 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000460151940 501742074 /nfs/dbraw/zinc/74/20/74/501742074.db2.gz XXGUPIJTPDJVNG-INIZCTEOSA-N 1 1 353.422 3.250 20 5 FGBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467218180 501742264 /nfs/dbraw/zinc/74/22/64/501742264.db2.gz NWXQIFPFOYHEEG-QWHCGFSZSA-N 1 1 368.865 3.168 20 5 FGBDMO CCCN(C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](C)C1 ZINC000592833228 506271289 /nfs/dbraw/zinc/27/12/89/506271289.db2.gz XEKHGMHHXAAGOH-HIFRSBDPSA-N 1 1 351.472 3.018 20 5 FGBDMO CN(CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474234145 501755150 /nfs/dbraw/zinc/75/51/50/501755150.db2.gz AFVMVKVZZQGYDP-LJQANCHMSA-N 1 1 355.438 3.180 20 5 FGBDMO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000474234145 501755156 /nfs/dbraw/zinc/75/51/56/501755156.db2.gz AFVMVKVZZQGYDP-LJQANCHMSA-N 1 1 355.438 3.180 20 5 FGBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000474234145 501755162 /nfs/dbraw/zinc/75/51/62/501755162.db2.gz AFVMVKVZZQGYDP-LJQANCHMSA-N 1 1 355.438 3.180 20 5 FGBDMO COC(=O)c1cnc(Nc2cccc(CC[N@@H+](C)C3CC3)c2)c([N+](=O)[O-])c1 ZINC000477718238 501768158 /nfs/dbraw/zinc/76/81/58/501768158.db2.gz LDEPGPOKGVPTLB-UHFFFAOYSA-N 1 1 370.409 3.157 20 5 FGBDMO C[N@H+](CC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000460352037 501799796 /nfs/dbraw/zinc/79/97/96/501799796.db2.gz UYDNMSPYEFMTBX-IBGZPJMESA-N 1 1 371.462 3.301 20 5 FGBDMO C[N@@H+](CC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000460352037 501799799 /nfs/dbraw/zinc/79/97/99/501799799.db2.gz UYDNMSPYEFMTBX-IBGZPJMESA-N 1 1 371.462 3.301 20 5 FGBDMO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596138974 506275388 /nfs/dbraw/zinc/27/53/88/506275388.db2.gz PUVQUIRSVGVADV-GFCCVEGCSA-N 1 1 362.817 3.232 20 5 FGBDMO CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000467546686 501821087 /nfs/dbraw/zinc/82/10/87/501821087.db2.gz BRUJKBMAYNPSTG-QGZVFWFLSA-N 1 1 370.833 3.040 20 5 FGBDMO CCOC(=O)[C@]1(COC)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000467546686 501821092 /nfs/dbraw/zinc/82/10/92/501821092.db2.gz BRUJKBMAYNPSTG-QGZVFWFLSA-N 1 1 370.833 3.040 20 5 FGBDMO CC(C)[C@H]1OCCC[C@H]1Nc1nc(NCc2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000485835352 501956386 /nfs/dbraw/zinc/95/63/86/501956386.db2.gz QXWBSLWBDCZPSP-CRAIPNDOSA-N 1 1 371.441 3.034 20 5 FGBDMO Cc1cc(C)c2c(c1)C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])CC2 ZINC000485861021 501965456 /nfs/dbraw/zinc/96/54/56/501965456.db2.gz FVDLWLRCXHOTQO-KRWDZBQOSA-N 1 1 356.422 3.010 20 5 FGBDMO Cc1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000471383819 502005778 /nfs/dbraw/zinc/00/57/78/502005778.db2.gz FLVYMUBPJKEJRU-KDURUIRLSA-N 1 1 365.433 3.107 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2C[C@H](C)[C@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000475089674 502052666 /nfs/dbraw/zinc/05/26/66/502052666.db2.gz OEVNWUCUGKMXET-NUEKZKHPSA-N 1 1 362.426 3.157 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2C[C@H](C)[C@@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000475089667 502052917 /nfs/dbraw/zinc/05/29/17/502052917.db2.gz OEVNWUCUGKMXET-CWRNSKLLSA-N 1 1 362.426 3.157 20 5 FGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000602764600 506290874 /nfs/dbraw/zinc/29/08/74/506290874.db2.gz DXGLOWIEGYLDQW-IEBWSBKVSA-N 1 1 358.442 3.199 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000468458288 502063081 /nfs/dbraw/zinc/06/30/81/502063081.db2.gz IEFNXCWRACVKCR-BBRMVZONSA-N 1 1 365.499 3.312 20 5 FGBDMO COc1c(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000475116940 502066143 /nfs/dbraw/zinc/06/61/43/502066143.db2.gz GQNSVWBMVAXJHT-GOEBONIOSA-N 1 1 369.421 3.169 20 5 FGBDMO C[C@@H]1[C@H](C)N(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[N@@H+]1C ZINC000475198927 502096977 /nfs/dbraw/zinc/09/69/77/502096977.db2.gz RRAJJUWNQPGMPY-ZJUUUORDSA-N 1 1 360.336 3.170 20 5 FGBDMO CN(C(=O)CCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475308227 502127700 /nfs/dbraw/zinc/12/77/00/502127700.db2.gz MROAHXDIGKJQQS-HXUWFJFHSA-N 1 1 367.449 3.260 20 5 FGBDMO Cc1c(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000475320578 502132877 /nfs/dbraw/zinc/13/28/77/502132877.db2.gz KLHJIVDBFFXNSE-QGZVFWFLSA-N 1 1 353.422 3.250 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(CNc2cc[nH+]cc2Br)c1 ZINC000486362298 502133713 /nfs/dbraw/zinc/13/37/13/502133713.db2.gz BQXLSYSODSWLOU-UHFFFAOYSA-N 1 1 374.141 3.388 20 5 FGBDMO CCOc1ccc(C[NH+]2CCN(c3cccc(OC)c3[N+](=O)[O-])CC2)cc1 ZINC000475450588 502174630 /nfs/dbraw/zinc/17/46/30/502174630.db2.gz NXIOIKORWVBFGB-UHFFFAOYSA-N 1 1 371.437 3.324 20 5 FGBDMO COc1ccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000471944758 502179790 /nfs/dbraw/zinc/17/97/90/502179790.db2.gz SSNQRZGEKGYCIK-CRAIPNDOSA-N 1 1 370.409 3.170 20 5 FGBDMO C[N@H+]1CC[C@H]2CCN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])[C@H]2C1 ZINC000486602555 502205051 /nfs/dbraw/zinc/20/50/51/502205051.db2.gz YSKXKLVXXIOUEL-YWZLYKJASA-N 1 1 365.433 3.356 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000475707389 502259558 /nfs/dbraw/zinc/25/95/58/502259558.db2.gz SLUKSJGUGAFXFI-KBPBESRZSA-N 1 1 350.415 3.015 20 5 FGBDMO O=C(C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000483101661 502271318 /nfs/dbraw/zinc/27/13/18/502271318.db2.gz DAKCHMZDLIFMEA-INIZCTEOSA-N 1 1 369.396 3.113 20 5 FGBDMO O=C(C[N@H+]1CC[C@H](c2ccc(F)cc2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000483101661 502271322 /nfs/dbraw/zinc/27/13/22/502271322.db2.gz DAKCHMZDLIFMEA-INIZCTEOSA-N 1 1 369.396 3.113 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000483102218 502272511 /nfs/dbraw/zinc/27/25/11/502272511.db2.gz DRSUWYRAWFOSQC-HNNXBMFYSA-N 1 1 357.385 3.470 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000483102218 502272516 /nfs/dbraw/zinc/27/25/16/502272516.db2.gz DRSUWYRAWFOSQC-HNNXBMFYSA-N 1 1 357.385 3.470 20 5 FGBDMO Cc1cccc(NCCNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[nH+]1 ZINC000469570847 502467493 /nfs/dbraw/zinc/46/74/93/502467493.db2.gz NIVYYCLVHVUULD-UHFFFAOYSA-N 1 1 356.426 3.438 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)nc1OCc1ccccc1 ZINC000462507641 502469957 /nfs/dbraw/zinc/46/99/57/502469957.db2.gz YKPSRBGEZHYEJG-IRXDYDNUSA-N 1 1 368.437 3.029 20 5 FGBDMO CCC(=O)c1ccc(NC(C)(C)CC[NH+]2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000480174107 502490491 /nfs/dbraw/zinc/49/04/91/502490491.db2.gz SEOXUCLKPHDZMH-UHFFFAOYSA-N 1 1 362.474 3.016 20 5 FGBDMO C[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)C1CC1 ZINC000484068883 502561693 /nfs/dbraw/zinc/56/16/93/502561693.db2.gz MTOGZWHANOVWRC-UHFFFAOYSA-N 1 1 368.437 3.031 20 5 FGBDMO Cn1cc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCCC2)c([N+](=O)[O-])n1 ZINC000602844409 506323211 /nfs/dbraw/zinc/32/32/11/506323211.db2.gz OZXXQZXVQNYSMP-KRWDZBQOSA-N 1 1 358.442 3.102 20 5 FGBDMO COCC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCC[C@@H]1C ZINC000488005266 502597331 /nfs/dbraw/zinc/59/73/31/502597331.db2.gz CLUCUJXFBOPVDZ-BBRMVZONSA-N 1 1 360.414 3.282 20 5 FGBDMO COCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[C@@H]1C ZINC000488008926 502599043 /nfs/dbraw/zinc/59/90/43/502599043.db2.gz MLENDNYAPKHSCH-LRDDRELGSA-N 1 1 369.849 3.324 20 5 FGBDMO C[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCCC[C@@H]1C ZINC000466552383 502605519 /nfs/dbraw/zinc/60/55/19/502605519.db2.gz BZJNBKZWWBLLBO-QWHCGFSZSA-N 1 1 368.865 3.310 20 5 FGBDMO COCC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCC[C@H]1C ZINC000488086127 502622195 /nfs/dbraw/zinc/62/21/95/502622195.db2.gz DSCRZJRNWVSPEJ-ZBFHGGJFSA-N 1 1 352.431 3.119 20 5 FGBDMO C[C@@H](CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000470116129 502666206 /nfs/dbraw/zinc/66/62/06/502666206.db2.gz DGPQAOCHOSNNIM-ZDUSSCGKSA-N 1 1 372.400 3.302 20 5 FGBDMO COc1ccc(C[N@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000463032374 502667504 /nfs/dbraw/zinc/66/75/04/502667504.db2.gz IIFFDVSDHSYSIW-OAQYLSRUSA-N 1 1 370.449 3.421 20 5 FGBDMO Cc1cnc(NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000463051989 502675925 /nfs/dbraw/zinc/67/59/25/502675925.db2.gz GWMWUGHOEYNJOE-LJQANCHMSA-N 1 1 369.469 3.089 20 5 FGBDMO Cc1cnc(NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000463051989 502675927 /nfs/dbraw/zinc/67/59/27/502675927.db2.gz GWMWUGHOEYNJOE-LJQANCHMSA-N 1 1 369.469 3.089 20 5 FGBDMO Cc1cnc(NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000463051989 502675931 /nfs/dbraw/zinc/67/59/31/502675931.db2.gz GWMWUGHOEYNJOE-LJQANCHMSA-N 1 1 369.469 3.089 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](c3cccnc3)C2)c1 ZINC000602853612 506328071 /nfs/dbraw/zinc/32/80/71/506328071.db2.gz JKJQJWKPKVPTRG-INIZCTEOSA-N 1 1 355.394 3.156 20 5 FGBDMO CC[N@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)[C@@H](C)CS(=O)(=O)CC ZINC000470175487 502694708 /nfs/dbraw/zinc/69/47/08/502694708.db2.gz QSJDKLOVCUXPBW-LTBFUDJGSA-N 1 1 354.472 3.143 20 5 FGBDMO CC[N@@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)[C@@H](C)CS(=O)(=O)CC ZINC000470175487 502694713 /nfs/dbraw/zinc/69/47/13/502694713.db2.gz QSJDKLOVCUXPBW-LTBFUDJGSA-N 1 1 354.472 3.143 20 5 FGBDMO CC[N@@H+](Cc1ccc(OC)cc1)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000488509778 502736672 /nfs/dbraw/zinc/73/66/72/502736672.db2.gz AQSYKHIABFAGTG-AWEZNQCLSA-N 1 1 357.410 3.453 20 5 FGBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccc2c(c1)OCO2 ZINC000488541695 502745855 /nfs/dbraw/zinc/74/58/55/502745855.db2.gz SXWKPOCJXUJFSZ-UHFFFAOYSA-N 1 1 371.393 3.174 20 5 FGBDMO CC[N@H+](Cc1cccc(F)c1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000488611713 502763631 /nfs/dbraw/zinc/76/36/31/502763631.db2.gz SGHIEZZIJOMTLG-SFHVURJKSA-N 1 1 357.385 3.361 20 5 FGBDMO CC[N@@H+](Cc1cccc(F)c1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000488611713 502763634 /nfs/dbraw/zinc/76/36/34/502763634.db2.gz SGHIEZZIJOMTLG-SFHVURJKSA-N 1 1 357.385 3.361 20 5 FGBDMO COCC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@H]1CC=CCC1 ZINC000485114016 502816651 /nfs/dbraw/zinc/81/66/51/502816651.db2.gz QYXMTBKNURWMHS-HNNXBMFYSA-N 1 1 372.425 3.450 20 5 FGBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCCc1nc(-c3ccccc3)no1)CC2 ZINC000495503392 502849051 /nfs/dbraw/zinc/84/90/51/502849051.db2.gz NOOSLRKOJGJJPA-UHFFFAOYSA-N 1 1 365.393 3.031 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+]C(C)(C)c2ccccc2OC)c1 ZINC000593016189 506337860 /nfs/dbraw/zinc/33/78/60/506337860.db2.gz KHZSTRXWMUXWSD-UHFFFAOYSA-N 1 1 358.394 3.415 20 5 FGBDMO COc1ccc(C[N@H+]2CC[C@@H]2CNc2cccc(OC)c2[N+](=O)[O-])cc1 ZINC000599138877 506340051 /nfs/dbraw/zinc/34/00/51/506340051.db2.gz IBSCVRGFPZJVMH-OAHLLOKOSA-N 1 1 357.410 3.298 20 5 FGBDMO Cc1cc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC000513256386 502890344 /nfs/dbraw/zinc/89/03/44/502890344.db2.gz RTLSCPHTMIWOFZ-GOSISDBHSA-N 1 1 353.422 3.298 20 5 FGBDMO Cc1cc(NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489159411 502890954 /nfs/dbraw/zinc/89/09/54/502890954.db2.gz CSFSWBVOZAVNOX-GDBMZVCRSA-N 1 1 369.469 3.314 20 5 FGBDMO Cc1cc(N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489199223 502899745 /nfs/dbraw/zinc/89/97/45/502899745.db2.gz SCDBZGOMPKMKBD-GDBMZVCRSA-N 1 1 369.469 3.314 20 5 FGBDMO CCc1ccc([C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c(C)s3)CC[NH2+]2)cc1 ZINC000505511936 502922511 /nfs/dbraw/zinc/92/25/11/502922511.db2.gz BITUWITVEWZOBY-HNNXBMFYSA-N 1 1 359.451 3.314 20 5 FGBDMO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCN(c2ccccc2)C1=O ZINC000513497144 502953208 /nfs/dbraw/zinc/95/32/08/502953208.db2.gz RLRZDBDQINVHBR-QRBZPYHOSA-N 1 1 351.406 3.345 20 5 FGBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCN(c2ccccc2)C1=O ZINC000513497144 502953211 /nfs/dbraw/zinc/95/32/11/502953211.db2.gz RLRZDBDQINVHBR-QRBZPYHOSA-N 1 1 351.406 3.345 20 5 FGBDMO COCCC1(C[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000513691130 503001326 /nfs/dbraw/zinc/00/13/26/503001326.db2.gz RLQMHLPLGKMDJV-QGZVFWFLSA-N 1 1 358.442 3.214 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000489907167 503061875 /nfs/dbraw/zinc/06/18/75/503061875.db2.gz CVHDJOFAXXSTIZ-BPUTZDHNSA-N 1 1 362.474 3.384 20 5 FGBDMO COc1cc(C[N@@H+](CCCO)[C@@H]2CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000490091767 503107985 /nfs/dbraw/zinc/10/79/85/503107985.db2.gz UHLIDOVEHOXFRL-GOSISDBHSA-N 1 1 356.422 3.475 20 5 FGBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1)CC(F)(F)F ZINC000490404593 503168993 /nfs/dbraw/zinc/16/89/93/503168993.db2.gz VXOHRQINNNNEBH-LBPRGKRZSA-N 1 1 363.355 3.440 20 5 FGBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)cc1 ZINC000510789801 503193523 /nfs/dbraw/zinc/19/35/23/503193523.db2.gz JLNJBHPPAYZWBZ-FQEVSTJZSA-N 1 1 354.406 3.148 20 5 FGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)cc1 ZINC000510789801 503193526 /nfs/dbraw/zinc/19/35/26/503193526.db2.gz JLNJBHPPAYZWBZ-FQEVSTJZSA-N 1 1 354.406 3.148 20 5 FGBDMO CCC[N@H+]1CC[C@H](CNc2cc(CC)nc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000506979815 503205580 /nfs/dbraw/zinc/20/55/80/503205580.db2.gz RVSOKNIWSVNQKD-OAHLLOKOSA-N 1 1 369.469 3.180 20 5 FGBDMO Cc1ccccc1CNC(=O)[C@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511071640 503246757 /nfs/dbraw/zinc/24/67/57/503246757.db2.gz HDUJWFPDZIVOQQ-INIZCTEOSA-N 1 1 355.438 3.082 20 5 FGBDMO Cc1ccccc1CNC(=O)[C@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511071640 503246761 /nfs/dbraw/zinc/24/67/61/503246761.db2.gz HDUJWFPDZIVOQQ-INIZCTEOSA-N 1 1 355.438 3.082 20 5 FGBDMO Cc1nc(N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000599180128 506362600 /nfs/dbraw/zinc/36/26/00/506362600.db2.gz SAISVXAGUHWQOS-UHFFFAOYSA-N 1 1 351.410 3.102 20 5 FGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000511098148 503253442 /nfs/dbraw/zinc/25/34/42/503253442.db2.gz ZSWBEKVDRLDWIL-IBGZPJMESA-N 1 1 371.412 3.404 20 5 FGBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@H]1OCCc2ccccc21 ZINC000507240156 503257813 /nfs/dbraw/zinc/25/78/13/503257813.db2.gz BKUYTLXZJBCDSG-LJQANCHMSA-N 1 1 369.421 3.169 20 5 FGBDMO CCOc1ccccc1NC(=O)CC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511125489 503262610 /nfs/dbraw/zinc/26/26/10/503262610.db2.gz OBNPZHKQWFAABR-UHFFFAOYSA-N 1 1 371.437 3.497 20 5 FGBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000491100147 503273344 /nfs/dbraw/zinc/27/33/44/503273344.db2.gz HULABPOUFICWNB-AWEZNQCLSA-N 1 1 350.463 3.250 20 5 FGBDMO CCOc1cc(C[N@@H+](CCO)[C@@H]2CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000492795879 503386563 /nfs/dbraw/zinc/38/65/63/503386563.db2.gz ZYMGEZKPWIIYBP-GOSISDBHSA-N 1 1 356.422 3.475 20 5 FGBDMO CC[N@H+]1C[C@@H](C)N(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1C ZINC000499565943 503432759 /nfs/dbraw/zinc/43/27/59/503432759.db2.gz VVNWSLCOXLGZLM-WDEREUQCSA-N 1 1 372.372 3.143 20 5 FGBDMO C[C@H]1[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1Cc1ccccc1 ZINC000494026264 503476144 /nfs/dbraw/zinc/47/61/44/503476144.db2.gz HTTRPCMEZDOKMY-IFXJQAMLSA-N 1 1 371.412 3.056 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(=O)N(CC)CC)CC1 ZINC000512235426 503493770 /nfs/dbraw/zinc/49/37/70/503493770.db2.gz BKYMYGPUNMXYHG-UHFFFAOYSA-N 1 1 363.458 3.074 20 5 FGBDMO O=C(NCc1ccccc1[N+](=O)[O-])c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000494374018 503532232 /nfs/dbraw/zinc/53/22/32/503532232.db2.gz HGWYEWINGYEJHN-UHFFFAOYSA-N 1 1 373.319 3.043 20 5 FGBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000500075398 503545768 /nfs/dbraw/zinc/54/57/68/503545768.db2.gz PIIGCSGDFLQESH-IAGOWNOFSA-N 1 1 361.442 3.203 20 5 FGBDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000512464356 503560609 /nfs/dbraw/zinc/56/06/09/503560609.db2.gz WUFBKOMDOGEJMX-DZGCQCFKSA-N 1 1 360.414 3.160 20 5 FGBDMO O=C(CC[N@@H+](C[C@@H]1CCCO1)C1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000500157776 503567359 /nfs/dbraw/zinc/56/73/59/503567359.db2.gz VJISMMUTHIGHEW-INIZCTEOSA-N 1 1 361.442 3.347 20 5 FGBDMO CC(C)(C)Oc1cccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000508915485 503599037 /nfs/dbraw/zinc/59/90/37/503599037.db2.gz PVSINIXWYGHNPM-OAHLLOKOSA-N 1 1 371.441 3.249 20 5 FGBDMO CC(C)(C)Oc1cccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000508915485 503599041 /nfs/dbraw/zinc/59/90/41/503599041.db2.gz PVSINIXWYGHNPM-OAHLLOKOSA-N 1 1 371.441 3.249 20 5 FGBDMO CCn1cc(C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C(C)C)cn1 ZINC000593081280 506382055 /nfs/dbraw/zinc/38/20/55/506382055.db2.gz QNAMIMOISICEEG-UHFFFAOYSA-N 1 1 373.457 3.359 20 5 FGBDMO CN(C)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc[nH+]1 ZINC000500409353 503617403 /nfs/dbraw/zinc/61/74/03/503617403.db2.gz HFWJMVNKFHJUJV-UHFFFAOYSA-N 1 1 354.288 3.327 20 5 FGBDMO C[N@@H+](CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)Cc1ccc(F)cc1 ZINC000546192612 503666249 /nfs/dbraw/zinc/66/62/49/503666249.db2.gz MXOXNSDFJPWQMP-UHFFFAOYSA-N 1 1 370.384 3.077 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000543206947 503679990 /nfs/dbraw/zinc/67/99/90/503679990.db2.gz GQYVUTBFYYVOER-OALUTQOASA-N 1 1 370.449 3.289 20 5 FGBDMO O=C(NCc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000517274185 503703293 /nfs/dbraw/zinc/70/32/93/503703293.db2.gz BOYSYZAFOSYWRM-KRWDZBQOSA-N 1 1 360.458 3.191 20 5 FGBDMO COc1ccc(NC(=O)CC[N@@H+](C)Cc2cccc(C)c2)c([N+](=O)[O-])c1 ZINC000533241556 503772951 /nfs/dbraw/zinc/77/29/51/503772951.db2.gz HIENJBUAISVFQW-UHFFFAOYSA-N 1 1 357.410 3.372 20 5 FGBDMO C[C@@H](C[N@@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccccc1 ZINC000533262996 503783298 /nfs/dbraw/zinc/78/32/98/503783298.db2.gz CLGUQMNZUKMHQI-HNAYVOBHSA-N 1 1 353.422 3.436 20 5 FGBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000537091388 503798845 /nfs/dbraw/zinc/79/88/45/503798845.db2.gz BINCRRNIJJQWID-HNNXBMFYSA-N 1 1 362.474 3.418 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000540626685 503836729 /nfs/dbraw/zinc/83/67/29/503836729.db2.gz PSAJQEUIBHRVIB-MRXNPFEDSA-N 1 1 363.458 3.005 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000543641636 503838255 /nfs/dbraw/zinc/83/82/55/503838255.db2.gz ONTNDAGXQFLCRR-ZDUSSCGKSA-N 1 1 352.410 3.223 20 5 FGBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@H]1c1ccccn1 ZINC000533484747 503861585 /nfs/dbraw/zinc/86/15/85/503861585.db2.gz ZBMMHGBUORDNKH-INIZCTEOSA-N 1 1 368.393 3.125 20 5 FGBDMO CC(C)[N@H+]1CCCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000544237146 504055946 /nfs/dbraw/zinc/05/59/46/504055946.db2.gz WQYGSQFVLVZDLA-UHFFFAOYSA-N 1 1 371.890 3.283 20 5 FGBDMO O=[N+]([O-])c1c(N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)ccc2ncccc21 ZINC000534270803 504091635 /nfs/dbraw/zinc/09/16/35/504091635.db2.gz CZFPODLLYDCROF-SJLPKXTDSA-N 1 1 356.426 3.198 20 5 FGBDMO CC(=O)c1ccc2c(c1)CC[N@H+](CCOc1ccccc1[N+](=O)[O-])CC2 ZINC000534479647 504152728 /nfs/dbraw/zinc/15/27/28/504152728.db2.gz JMJXWCDCBUZWPO-UHFFFAOYSA-N 1 1 354.406 3.277 20 5 FGBDMO CCCc1[nH+]ccn1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000534496543 504156107 /nfs/dbraw/zinc/15/61/07/504156107.db2.gz ILURZPFKPKFLIZ-UHFFFAOYSA-N 1 1 367.203 3.145 20 5 FGBDMO COc1ccccc1[C@@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000519578220 504259927 /nfs/dbraw/zinc/25/99/27/504259927.db2.gz HHNUVCFGZWBYDX-KBXCAEBGSA-N 1 1 371.437 3.126 20 5 FGBDMO COC(=O)c1cccc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000520339538 504471034 /nfs/dbraw/zinc/47/10/34/504471034.db2.gz AATOPUQJKASARS-OAHLLOKOSA-N 1 1 355.394 3.156 20 5 FGBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(NC)c([N+](=O)[O-])c2)C1 ZINC000520375101 504481640 /nfs/dbraw/zinc/48/16/40/504481640.db2.gz VOHNTUPLVPWSBW-AWEZNQCLSA-N 1 1 362.474 3.267 20 5 FGBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000539199301 504496595 /nfs/dbraw/zinc/49/65/95/504496595.db2.gz DJDQSXINYSAOLP-ZBFHGGJFSA-N 1 1 368.437 3.202 20 5 FGBDMO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000520461640 504504378 /nfs/dbraw/zinc/50/43/78/504504378.db2.gz OECZVWJODPDIOS-TXEJJXNPSA-N 1 1 372.206 3.431 20 5 FGBDMO O=[N+]([O-])c1cc(I)cc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000520461640 504504381 /nfs/dbraw/zinc/50/43/81/504504381.db2.gz OECZVWJODPDIOS-TXEJJXNPSA-N 1 1 372.206 3.431 20 5 FGBDMO COc1ccc(C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)cc1[N+](=O)[O-] ZINC000539332139 504533283 /nfs/dbraw/zinc/53/32/83/504533283.db2.gz NARNMPSXUJFVPV-UHFFFAOYSA-N 1 1 369.421 3.492 20 5 FGBDMO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000532125631 504543450 /nfs/dbraw/zinc/54/34/50/504543450.db2.gz INWPGSNKGWOXLA-HNNXBMFYSA-N 1 1 364.442 3.417 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000545871345 504622262 /nfs/dbraw/zinc/62/22/62/504622262.db2.gz XVGQBARNQCOWHW-AWEZNQCLSA-N 1 1 365.449 3.392 20 5 FGBDMO CCOc1ccccc1NC(=O)[C@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000548934382 504626852 /nfs/dbraw/zinc/62/68/52/504626852.db2.gz CXRXVWZCUBBXKG-HNNXBMFYSA-N 1 1 371.437 3.495 20 5 FGBDMO CCOc1ccccc1NC(=O)[C@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000548934382 504626858 /nfs/dbraw/zinc/62/68/58/504626858.db2.gz CXRXVWZCUBBXKG-HNNXBMFYSA-N 1 1 371.437 3.495 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000532520351 504681362 /nfs/dbraw/zinc/68/13/62/504681362.db2.gz DDWQXCNAMCLQLH-DYESRHJHSA-N 1 1 369.465 3.191 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000532520351 504681366 /nfs/dbraw/zinc/68/13/66/504681366.db2.gz DDWQXCNAMCLQLH-DYESRHJHSA-N 1 1 369.465 3.191 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000539818361 504700547 /nfs/dbraw/zinc/70/05/47/504700547.db2.gz XEXNBUFTQKRCOM-HNAYVOBHSA-N 1 1 371.485 3.300 20 5 FGBDMO CCN1CC[C@@H]([N@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000539818361 504700584 /nfs/dbraw/zinc/70/05/84/504700584.db2.gz XEXNBUFTQKRCOM-HNAYVOBHSA-N 1 1 371.485 3.300 20 5 FGBDMO CCN1CC[C@@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000539818361 504700589 /nfs/dbraw/zinc/70/05/89/504700589.db2.gz XEXNBUFTQKRCOM-HNAYVOBHSA-N 1 1 371.485 3.300 20 5 FGBDMO CC(C)c1ccc(CN2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1[N+](=O)[O-] ZINC000539862161 504720640 /nfs/dbraw/zinc/72/06/40/504720640.db2.gz GCQHNWSMVMZBJI-IBGZPJMESA-N 1 1 374.529 3.319 20 5 FGBDMO COc1ccccc1[C@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000559149577 504792472 /nfs/dbraw/zinc/79/24/72/504792472.db2.gz JVKQUJBUMRFOCM-HNNXBMFYSA-N 1 1 370.327 3.445 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)c1 ZINC000549414164 504815437 /nfs/dbraw/zinc/81/54/37/504815437.db2.gz BLXXTICHOKWCEN-AWEZNQCLSA-N 1 1 363.458 3.234 20 5 FGBDMO Cc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000559449529 504865624 /nfs/dbraw/zinc/86/56/24/504865624.db2.gz GTBJYLNGVYJBRK-MRXNPFEDSA-N 1 1 353.422 3.422 20 5 FGBDMO C[C@H](CNc1ncnc2sc([N+](=O)[O-])cc21)[N@H+]1CCc2ccccc2C1 ZINC000553311957 504880203 /nfs/dbraw/zinc/88/02/03/504880203.db2.gz QBUIZTYSSQTVCX-GFCCVEGCSA-N 1 1 369.450 3.458 20 5 FGBDMO CN(Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000549864476 504920732 /nfs/dbraw/zinc/92/07/32/504920732.db2.gz GCKYSRHJIDRGGC-GOSISDBHSA-N 1 1 355.438 3.397 20 5 FGBDMO CN(Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000549864476 504920736 /nfs/dbraw/zinc/92/07/36/504920736.db2.gz GCKYSRHJIDRGGC-GOSISDBHSA-N 1 1 355.438 3.397 20 5 FGBDMO C[C@@H](C(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000560238739 505026277 /nfs/dbraw/zinc/02/62/77/505026277.db2.gz UFUBULZOJPPUNG-OXQOHEQNSA-N 1 1 367.449 3.084 20 5 FGBDMO C[C@@H](C(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000560238739 505026279 /nfs/dbraw/zinc/02/62/79/505026279.db2.gz UFUBULZOJPPUNG-OXQOHEQNSA-N 1 1 367.449 3.084 20 5 FGBDMO O=C(C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000557023892 505046517 /nfs/dbraw/zinc/04/65/17/505046517.db2.gz WAGSYSVRTBCRHI-MRXNPFEDSA-N 1 1 369.396 3.113 20 5 FGBDMO O=C(C[N@H+]1CC[C@@H](c2cccc(F)c2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000557023892 505046520 /nfs/dbraw/zinc/04/65/20/505046520.db2.gz WAGSYSVRTBCRHI-MRXNPFEDSA-N 1 1 369.396 3.113 20 5 FGBDMO CC(=O)NCC[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000554289469 505135982 /nfs/dbraw/zinc/13/59/82/505135982.db2.gz CRNCHMQMGCXLKE-MRXNPFEDSA-N 1 1 363.458 3.120 20 5 FGBDMO C[C@]1(NC(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000566319497 505142781 /nfs/dbraw/zinc/14/27/81/505142781.db2.gz FTVPFNWQVARHEH-NRFANRHFSA-N 1 1 367.449 3.308 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000563557573 505176021 /nfs/dbraw/zinc/17/60/21/505176021.db2.gz UEHLDDPPRCNWTG-GOSISDBHSA-N 1 1 354.410 3.464 20 5 FGBDMO C[C@@H]1C[C@@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000557606297 505180533 /nfs/dbraw/zinc/18/05/33/505180533.db2.gz MMUDCXUESVWQDJ-ZBFHGGJFSA-N 1 1 368.437 3.159 20 5 FGBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)Cc1cccc([N+](=O)[O-])c1 ZINC000563843487 505254852 /nfs/dbraw/zinc/25/48/52/505254852.db2.gz RWKJLKVTXIVZKM-FQEVSTJZSA-N 1 1 354.454 3.476 20 5 FGBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000558025148 505289127 /nfs/dbraw/zinc/28/91/27/505289127.db2.gz ISQSQYQTCZKPBA-HUBLWGQQSA-N 1 1 351.834 3.051 20 5 FGBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000564045097 505309960 /nfs/dbraw/zinc/30/99/60/505309960.db2.gz NEGHUNVIFXPFGF-AWEZNQCLSA-N 1 1 373.457 3.011 20 5 FGBDMO CC(C)C[C@H](CCO)C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000552047917 505381434 /nfs/dbraw/zinc/38/14/34/505381434.db2.gz AGVVYVRWFTYRIS-MAUKXSAKSA-N 1 1 360.458 3.052 20 5 FGBDMO C[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000555315098 505405792 /nfs/dbraw/zinc/40/57/92/505405792.db2.gz SFSFIDHPDDBSCN-GMBSWORKSA-N 1 1 357.454 3.174 20 5 FGBDMO CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000555509950 505443834 /nfs/dbraw/zinc/44/38/34/505443834.db2.gz BNONAJUAKCVOJP-ZDUSSCGKSA-N 1 1 373.375 3.494 20 5 FGBDMO C[C@H](C(=O)c1c[nH]c2ncccc12)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558736309 505477852 /nfs/dbraw/zinc/47/78/52/505477852.db2.gz LBGSIBMSONYNDX-CYBMUJFWSA-N 1 1 352.394 3.217 20 5 FGBDMO CC[N@@H+](Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1)[C@@H](C)CO ZINC000552382569 505478134 /nfs/dbraw/zinc/47/81/34/505478134.db2.gz XOQQHEYDLIYHRV-HNNXBMFYSA-N 1 1 374.437 3.385 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](c3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000564920449 505558324 /nfs/dbraw/zinc/55/83/24/505558324.db2.gz VXOGHQHDPOBKAC-MRXNPFEDSA-N 1 1 354.410 3.116 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593119136 506404415 /nfs/dbraw/zinc/40/44/15/506404415.db2.gz UWTMMGFLIACNND-MEBBXXQBSA-N 1 1 350.325 3.437 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593119136 506404421 /nfs/dbraw/zinc/40/44/21/506404421.db2.gz UWTMMGFLIACNND-MEBBXXQBSA-N 1 1 350.325 3.437 20 5 FGBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000596453642 506411807 /nfs/dbraw/zinc/41/18/07/506411807.db2.gz JIWZJIFUEXSHOP-AWEZNQCLSA-N 1 1 350.463 3.384 20 5 FGBDMO O=C(NC1CC1)c1ccc(N[C@@H]2CC[N@H+](C3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000596480215 506426805 /nfs/dbraw/zinc/42/68/05/506426805.db2.gz XJPOJKWFBGTTAZ-MRXNPFEDSA-N 1 1 372.469 3.306 20 5 FGBDMO CC(C)NC(=O)c1ccc(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000596569993 506465759 /nfs/dbraw/zinc/46/57/59/506465759.db2.gz FYJFZUZSDLPBPC-INIZCTEOSA-N 1 1 374.485 3.267 20 5 FGBDMO O=[N+]([O-])c1cc(Br)cnc1NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596569721 506466040 /nfs/dbraw/zinc/46/60/40/506466040.db2.gz CYDPHTDOEIRHCI-LBPRGKRZSA-N 1 1 369.263 3.286 20 5 FGBDMO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000589186977 506476218 /nfs/dbraw/zinc/47/62/18/506476218.db2.gz NQQPGFKPTHAHJP-WSTZPKSXSA-N 1 1 354.406 3.305 20 5 FGBDMO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000589186977 506476222 /nfs/dbraw/zinc/47/62/22/506476222.db2.gz NQQPGFKPTHAHJP-WSTZPKSXSA-N 1 1 354.406 3.305 20 5 FGBDMO C[C@@H]1C[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H](C)C1(F)F ZINC000599511618 506478911 /nfs/dbraw/zinc/47/89/11/506478911.db2.gz BHYLUSKTGONXAA-GHMZBOCLSA-N 1 1 352.341 3.368 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000599511852 506480483 /nfs/dbraw/zinc/48/04/83/506480483.db2.gz BZMRDPXXSZCKLS-LOWVWBTDSA-N 1 1 355.385 3.453 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000599511852 506480489 /nfs/dbraw/zinc/48/04/89/506480489.db2.gz BZMRDPXXSZCKLS-LOWVWBTDSA-N 1 1 355.385 3.453 20 5 FGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000589280612 506505141 /nfs/dbraw/zinc/50/51/41/506505141.db2.gz UTOAXWGPZOVEGO-QGZVFWFLSA-N 1 1 353.422 3.111 20 5 FGBDMO COc1ccc(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000599585543 506512992 /nfs/dbraw/zinc/51/29/92/506512992.db2.gz FMCYJVVFCZRKPH-ZFWWWQNUSA-N 1 1 364.442 3.403 20 5 FGBDMO COc1ccc(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000599585543 506512993 /nfs/dbraw/zinc/51/29/93/506512993.db2.gz FMCYJVVFCZRKPH-ZFWWWQNUSA-N 1 1 364.442 3.403 20 5 FGBDMO CCC[N@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000589499622 506571054 /nfs/dbraw/zinc/57/10/54/506571054.db2.gz YDVAUDQZWCOUAB-INIZCTEOSA-N 1 1 350.415 3.163 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@@H](C)[C@@H]2Cc3ccccc3O2)c1 ZINC000589505484 506572104 /nfs/dbraw/zinc/57/21/04/506572104.db2.gz JTPLAIONHFUWKH-DJJJIMSYSA-N 1 1 370.405 3.205 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@@H](C)[C@@H]2Cc3ccccc3O2)c1 ZINC000589505484 506572110 /nfs/dbraw/zinc/57/21/10/506572110.db2.gz JTPLAIONHFUWKH-DJJJIMSYSA-N 1 1 370.405 3.205 20 5 FGBDMO CC[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000612433611 506579268 /nfs/dbraw/zinc/57/92/68/506579268.db2.gz KHFLEKDQVRCEGO-SFHVURJKSA-N 1 1 372.421 3.234 20 5 FGBDMO O=[N+]([O-])c1ccccc1OCCN1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000603841059 506630749 /nfs/dbraw/zinc/63/07/49/506630749.db2.gz CWJIFWRZMWFOES-UHFFFAOYSA-N 1 1 373.428 3.321 20 5 FGBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000603841059 506630759 /nfs/dbraw/zinc/63/07/59/506630759.db2.gz CWJIFWRZMWFOES-UHFFFAOYSA-N 1 1 373.428 3.321 20 5 FGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000603841059 506630770 /nfs/dbraw/zinc/63/07/70/506630770.db2.gz CWJIFWRZMWFOES-UHFFFAOYSA-N 1 1 373.428 3.321 20 5 FGBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593461698 506632537 /nfs/dbraw/zinc/63/25/37/506632537.db2.gz MVNLKSZDHLNMAW-AWEZNQCLSA-N 1 1 365.449 3.293 20 5 FGBDMO COc1ccc([N+](=O)[O-])c(OC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000583203856 506647995 /nfs/dbraw/zinc/64/79/95/506647995.db2.gz XJIIYMXACZLZSH-GOSISDBHSA-N 1 1 372.421 3.273 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CCOc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000603909347 506655467 /nfs/dbraw/zinc/65/54/67/506655467.db2.gz SFWKGJOMDZQXLE-UHFFFAOYSA-N 1 1 355.394 3.126 20 5 FGBDMO C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)[N@H+]1CCC[C@@H](C)C1 ZINC000599830480 506664000 /nfs/dbraw/zinc/66/40/00/506664000.db2.gz JENACXIVRIUSLI-KGLIPLIRSA-N 1 1 371.441 3.385 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C[C@@H]1C ZINC000599830943 506664025 /nfs/dbraw/zinc/66/40/25/506664025.db2.gz GGNWUBIAMIDRRO-KBPBESRZSA-N 1 1 371.441 3.480 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)[C@H](C)C1 ZINC000599832024 506665396 /nfs/dbraw/zinc/66/53/96/506665396.db2.gz RRUAXCHOVHQUBW-CXAGYDPISA-N 1 1 371.441 3.337 20 5 FGBDMO Cc1nccc([C@H]2CCC[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000604013601 506685691 /nfs/dbraw/zinc/68/56/91/506685691.db2.gz TZQBDGPLVMMXOW-INIZCTEOSA-N 1 1 356.426 3.342 20 5 FGBDMO C[C@@H](NC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000604126730 506724296 /nfs/dbraw/zinc/72/42/96/506724296.db2.gz UMHBSQCHRBPQHU-DNVCBOLYSA-N 1 1 368.437 3.354 20 5 FGBDMO C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000604126730 506724298 /nfs/dbraw/zinc/72/42/98/506724298.db2.gz UMHBSQCHRBPQHU-DNVCBOLYSA-N 1 1 368.437 3.354 20 5 FGBDMO O=C1CC[C@H]2C[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)CC[C@H]2N1 ZINC000597205349 506834628 /nfs/dbraw/zinc/83/46/28/506834628.db2.gz JFQRYXONWNOOOK-WMLDXEAASA-N 1 1 371.462 3.424 20 5 FGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000609309955 506845247 /nfs/dbraw/zinc/84/52/47/506845247.db2.gz PYDSCQOMEZGLMJ-ZIAGYGMSSA-N 1 1 363.483 3.209 20 5 FGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000597247997 506858947 /nfs/dbraw/zinc/85/89/47/506858947.db2.gz VMDFIWNAHJQCNX-UVTDQMKNSA-N 1 1 351.406 3.155 20 5 FGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000597247997 506858953 /nfs/dbraw/zinc/85/89/53/506858953.db2.gz VMDFIWNAHJQCNX-UVTDQMKNSA-N 1 1 351.406 3.155 20 5 FGBDMO O=[N+]([O-])c1cncc(Cl)c1NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000590568735 506862858 /nfs/dbraw/zinc/86/28/58/506862858.db2.gz KVPFXMNCJDGYBW-CYBMUJFWSA-N 1 1 350.806 3.297 20 5 FGBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000583600233 506869322 /nfs/dbraw/zinc/86/93/22/506869322.db2.gz ZNMAMYCHPMNKCZ-GFCCVEGCSA-N 1 1 373.375 3.303 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c1 ZINC000590659559 506899192 /nfs/dbraw/zinc/89/91/92/506899192.db2.gz LZROHJDAZOQLQR-AEFFLSMTSA-N 1 1 374.437 3.163 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000609540029 506914139 /nfs/dbraw/zinc/91/41/39/506914139.db2.gz PAADXHHDKBWPSS-STQMWFEESA-N 1 1 359.382 3.013 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](c2ccco2)C1 ZINC000609540029 506914144 /nfs/dbraw/zinc/91/41/44/506914144.db2.gz PAADXHHDKBWPSS-STQMWFEESA-N 1 1 359.382 3.013 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000609631606 506954223 /nfs/dbraw/zinc/95/42/23/506954223.db2.gz GDZXTOGMNINWSO-JLJPHGGASA-N 1 1 361.442 3.443 20 5 FGBDMO C[C@H]1c2ccc(F)cc2CC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000610003965 507069282 /nfs/dbraw/zinc/06/92/82/507069282.db2.gz UUYCMBGDGXDVMJ-GUYCJALGSA-N 1 1 360.385 3.093 20 5 FGBDMO C[C@@]12CCC[N@H+]1C[C@H](c1noc(-c3ccc(Cl)cc3[N+](=O)[O-])n1)OC2 ZINC000583961339 507072185 /nfs/dbraw/zinc/07/21/85/507072185.db2.gz VZLQHAKKHTUAJW-CJNGLKHVSA-N 1 1 364.789 3.224 20 5 FGBDMO COc1ccc(C[NH2+]Cc2ncc[nH]2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000610150887 507117236 /nfs/dbraw/zinc/11/72/36/507117236.db2.gz HLMWNHPAPLZMIG-UHFFFAOYSA-N 1 1 368.393 3.195 20 5 FGBDMO COc1cc(C[NH2+][C@@H]2CCOc3c(OC)cccc32)c([N+](=O)[O-])cc1OC ZINC000594523324 507171076 /nfs/dbraw/zinc/17/10/76/507171076.db2.gz PUYIDZOTACMPGY-CQSZACIVSA-N 1 1 374.393 3.234 20 5 FGBDMO O=[N+]([O-])c1cc(Br)cnc1N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594603363 507205160 /nfs/dbraw/zinc/20/51/60/507205160.db2.gz UOFLDQZZTAEHQD-NWDGAFQWSA-N 1 1 355.236 3.181 20 5 FGBDMO Cc1cc(C(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000598195580 507308023 /nfs/dbraw/zinc/30/80/23/507308023.db2.gz OSTFHFPPWZRYIC-IBGZPJMESA-N 1 1 367.449 3.292 20 5 FGBDMO 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SISBMQWCXCIIBQ-ZDUSSCGKSA-N 1 1 355.385 3.034 20 5 FGBDMO O=C1N[C@@H]2CCCC[C@@H]2C[C@@H]1[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000595524331 507543662 /nfs/dbraw/zinc/54/36/62/507543662.db2.gz LXMLYUSWIJUSGN-JFRXWTBNSA-N 1 1 357.454 3.222 20 5 FGBDMO CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1(C)C ZINC000611276669 507600651 /nfs/dbraw/zinc/60/06/51/507600651.db2.gz RIYKHQXEVLIGGA-WMZOPIPTSA-N 1 1 350.415 3.001 20 5 FGBDMO C[N@H+]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1Cc1ccccc1 ZINC000585756166 507617790 /nfs/dbraw/zinc/61/77/90/507617790.db2.gz POZAIDYOIYKAAQ-HXUWFJFHSA-N 1 1 369.465 3.222 20 5 FGBDMO CN1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1Cc1ccccc1 ZINC000585756166 507617799 /nfs/dbraw/zinc/61/77/99/507617799.db2.gz POZAIDYOIYKAAQ-HXUWFJFHSA-N 1 1 369.465 3.222 20 5 FGBDMO CN1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1Cc1ccccc1 ZINC000585756166 507617809 /nfs/dbraw/zinc/61/78/09/507617809.db2.gz POZAIDYOIYKAAQ-HXUWFJFHSA-N 1 1 369.465 3.222 20 5 FGBDMO 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Cn1nc(C2CC2)cc1C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000897224059 742655486 /nfs/dbraw/zinc/65/54/86/742655486.db2.gz GDLOXDWNAMSWRP-UHFFFAOYSA-N 1 1 371.260 3.320 20 5 FGBDMO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000900781773 743166205 /nfs/dbraw/zinc/16/62/05/743166205.db2.gz KPDZMCMOBRQVPT-UHFFFAOYSA-N 1 1 369.824 3.478 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000900802470 743170694 /nfs/dbraw/zinc/17/06/94/743170694.db2.gz VDAXOHGINNYGNQ-JQWIXIFHSA-N 1 1 357.813 3.332 20 5 FGBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)c1 ZINC000905679675 744043333 /nfs/dbraw/zinc/04/33/33/744043333.db2.gz ZRGCOZBXULPVQU-CYBMUJFWSA-N 1 1 358.295 3.268 20 5 FGBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)c1 ZINC000905679675 744043337 /nfs/dbraw/zinc/04/33/37/744043337.db2.gz ZRGCOZBXULPVQU-CYBMUJFWSA-N 1 1 358.295 3.268 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)OCC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000915440316 757935467 /nfs/dbraw/zinc/93/54/67/757935467.db2.gz ZBVFVNLFROJZFK-HNNXBMFYSA-N 1 1 350.415 3.090 20 5 FGBDMO CCC[N@@H+](Cc1ccccc1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000917613941 758248731 /nfs/dbraw/zinc/24/87/31/758248731.db2.gz WZFVUPMAWAHNDD-UHFFFAOYSA-N 1 1 353.220 3.424 20 5 FGBDMO CCC[N@H+](Cc1ccccc1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000917613941 758248736 /nfs/dbraw/zinc/24/87/36/758248736.db2.gz WZFVUPMAWAHNDD-UHFFFAOYSA-N 1 1 353.220 3.424 20 5 FGBDMO C[C@H]1C[C@@H](N(C)Cc2cc([N+](=O)[O-])ccc2Br)CC[N@H+]1C ZINC000929779490 760454912 /nfs/dbraw/zinc/45/49/12/760454912.db2.gz AFVINPTYXRSSBA-AAEUAGOBSA-N 1 1 356.264 3.272 20 5 FGBDMO O=[N+]([O-])c1ccc(Br)c(C[NH+]2CCC(n3ccnc3)CC2)c1 ZINC000929803473 760459633 /nfs/dbraw/zinc/45/96/33/760459633.db2.gz ISIBXHWIXRDPLM-UHFFFAOYSA-N 1 1 365.231 3.391 20 5 FGBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000933780316 761472872 /nfs/dbraw/zinc/47/28/72/761472872.db2.gz XNWQPWXTSBSBHN-ZDUSSCGKSA-N 1 1 351.472 3.121 20 5 FGBDMO CC(C)c1nnc(C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)s1 ZINC000536847084 503740148 /nfs/dbraw/zinc/74/01/48/503740148.db2.gz SUEQVQCJFHXDFW-NSHDSACASA-N 1 1 363.443 3.077 20 5 FGBDMO C[C@H](C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000571143174 505663361 /nfs/dbraw/zinc/66/33/61/505663361.db2.gz MAPGPDHHNYMMDQ-KXBFYZLASA-N 1 1 353.422 3.214 20 5 FGBDMO C[C@H](C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000571143174 505663365 /nfs/dbraw/zinc/66/33/65/505663365.db2.gz MAPGPDHHNYMMDQ-KXBFYZLASA-N 1 1 353.422 3.214 20 5 FGBDMO CC(C)[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000027931624 493767728 /nfs/dbraw/zinc/76/77/28/493767728.db2.gz KMDDWTWMQIXNCX-UHFFFAOYSA-N 1 1 353.422 3.395 20 5 FGBDMO CC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H](C)c1cccc(O)c1 ZINC000080937269 493794751 /nfs/dbraw/zinc/79/47/51/493794751.db2.gz XWJJEPSQORBLQN-AWEZNQCLSA-N 1 1 369.421 3.273 20 5 FGBDMO CC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H](C)c1cccc(O)c1 ZINC000080937269 493794755 /nfs/dbraw/zinc/79/47/55/493794755.db2.gz XWJJEPSQORBLQN-AWEZNQCLSA-N 1 1 369.421 3.273 20 5 FGBDMO C[N@H+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000080957924 493799919 /nfs/dbraw/zinc/79/99/19/493799919.db2.gz FTSJRVVZHPFDIJ-UHFFFAOYSA-N 1 1 351.834 3.339 20 5 FGBDMO CCOc1ccc(OCC[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000030910146 493913276 /nfs/dbraw/zinc/91/32/76/493913276.db2.gz HVNJHRIHRIEIHQ-UHFFFAOYSA-N 1 1 371.437 3.195 20 5 FGBDMO O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000081595987 493925442 /nfs/dbraw/zinc/92/54/42/493925442.db2.gz XKIONXPDHRRSEH-SFHVURJKSA-N 1 1 357.385 3.015 20 5 FGBDMO O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000081595987 493925445 /nfs/dbraw/zinc/92/54/45/493925445.db2.gz XKIONXPDHRRSEH-SFHVURJKSA-N 1 1 357.385 3.015 20 5 FGBDMO COc1ccccc1C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000051426991 493969737 /nfs/dbraw/zinc/96/97/37/493969737.db2.gz KZLZTPBQPGWCOV-GOSISDBHSA-N 1 1 372.421 3.008 20 5 FGBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1csc([N+](=O)[O-])c1 ZINC000062229957 494006468 /nfs/dbraw/zinc/00/64/68/494006468.db2.gz BZNVQBWBWXDUCT-HNNXBMFYSA-N 1 1 359.451 3.298 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000053370746 494124018 /nfs/dbraw/zinc/12/40/18/494124018.db2.gz ACTKSFQJIURHDM-CYBMUJFWSA-N 1 1 351.472 3.311 20 5 FGBDMO CNC(=O)c1ccc(N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000053580400 494149749 /nfs/dbraw/zinc/14/97/49/494149749.db2.gz JSEHYOYOEOFKHF-PBHICJAKSA-N 1 1 368.437 3.202 20 5 FGBDMO CNC(=O)c1ccc(N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000053580397 494149954 /nfs/dbraw/zinc/14/99/54/494149954.db2.gz JSEHYOYOEOFKHF-YOEHRIQHSA-N 1 1 368.437 3.202 20 5 FGBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000087101318 494171590 /nfs/dbraw/zinc/17/15/90/494171590.db2.gz MRPQBQHCSOMVAA-LJQANCHMSA-N 1 1 367.449 3.308 20 5 FGBDMO O=[N+]([O-])c1cc2c(nc1N1CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C1)CCCC2 ZINC000574153574 505707110 /nfs/dbraw/zinc/70/71/10/505707110.db2.gz ZBACOJTXVSFCKS-YJBOKZPZSA-N 1 1 356.470 3.322 20 5 FGBDMO O=C(Nc1nccs1)C1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000054180461 494203686 /nfs/dbraw/zinc/20/36/86/494203686.db2.gz PUAQQANODDUDEJ-UHFFFAOYSA-N 1 1 364.402 3.041 20 5 FGBDMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000054205544 494206571 /nfs/dbraw/zinc/20/65/71/494206571.db2.gz UTOXISGOWFRMCE-QGZVFWFLSA-N 1 1 368.437 3.457 20 5 FGBDMO C[N@@H+](CCCNC(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000065511737 494206852 /nfs/dbraw/zinc/20/68/52/494206852.db2.gz NVRUIRUPMCQDJQ-UHFFFAOYSA-N 1 1 362.474 3.091 20 5 FGBDMO Cc1cc(C)c(NC(=O)C[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000065533509 494211057 /nfs/dbraw/zinc/21/10/57/494211057.db2.gz XACPQZCPUYCTAJ-UHFFFAOYSA-N 1 1 371.437 3.469 20 5 FGBDMO Cc1cc(C)c(NC(=O)C[N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000065533509 494211060 /nfs/dbraw/zinc/21/10/60/494211060.db2.gz XACPQZCPUYCTAJ-UHFFFAOYSA-N 1 1 371.437 3.469 20 5 FGBDMO Cc1c(NC(=O)CCN2CC[C@@H](C[NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000072718796 494239348 /nfs/dbraw/zinc/23/93/48/494239348.db2.gz ZJKQOIYGUDPPOG-KRWDZBQOSA-N 1 1 374.485 3.040 20 5 FGBDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000065910393 494254625 /nfs/dbraw/zinc/25/46/25/494254625.db2.gz NQBIQEDUSYWOKJ-UHFFFAOYSA-N 1 1 372.469 3.272 20 5 FGBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000043086660 494263182 /nfs/dbraw/zinc/26/31/82/494263182.db2.gz RZFLONSBJVUTGN-UHFFFAOYSA-N 1 1 356.426 3.068 20 5 FGBDMO CNC(=O)c1ccc(N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c([N+](=O)[O-])c1 ZINC000072945162 494287750 /nfs/dbraw/zinc/28/77/50/494287750.db2.gz OSTBELNJMQRNLO-CVEARBPZSA-N 1 1 374.485 3.045 20 5 FGBDMO COc1ccc([C@@H](C[NH+](C)C)N[C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000571344421 505711384 /nfs/dbraw/zinc/71/13/84/505711384.db2.gz INEZPQDLOCUMSU-RBUKOAKNSA-N 1 1 355.438 3.483 20 5 FGBDMO Cc1ccccc1OCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000015099259 494338785 /nfs/dbraw/zinc/33/87/85/494338785.db2.gz NUJINDNWWADFCK-OAHLLOKOSA-N 1 1 357.410 3.241 20 5 FGBDMO Cc1ccccc1OCC[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000015099259 494338789 /nfs/dbraw/zinc/33/87/89/494338789.db2.gz NUJINDNWWADFCK-OAHLLOKOSA-N 1 1 357.410 3.241 20 5 FGBDMO Cc1cccc(OCC[N@@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000015100447 494338877 /nfs/dbraw/zinc/33/88/77/494338877.db2.gz YSDHENZLZRQSCE-OAHLLOKOSA-N 1 1 357.410 3.241 20 5 FGBDMO Cc1cccc(OCC[N@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000015100447 494338879 /nfs/dbraw/zinc/33/88/79/494338879.db2.gz YSDHENZLZRQSCE-OAHLLOKOSA-N 1 1 357.410 3.241 20 5 FGBDMO Cc1cccc(OCC[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000015100893 494339127 /nfs/dbraw/zinc/33/91/27/494339127.db2.gz FABSZQIQXAFLDA-HNNXBMFYSA-N 1 1 357.410 3.241 20 5 FGBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000055406527 494339167 /nfs/dbraw/zinc/33/91/67/494339167.db2.gz KPHSHKNKIJVVBV-HZPDHXFCSA-N 1 1 374.485 3.045 20 5 FGBDMO Cc1cccc(OCC[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000015100893 494339131 /nfs/dbraw/zinc/33/91/31/494339131.db2.gz FABSZQIQXAFLDA-HNNXBMFYSA-N 1 1 357.410 3.241 20 5 FGBDMO COc1cc(C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C2CC2)ccc1O ZINC000089971381 494418121 /nfs/dbraw/zinc/41/81/21/494418121.db2.gz SWQIEYJDJMUKPK-UHFFFAOYSA-N 1 1 358.394 3.482 20 5 FGBDMO CC(=O)c1ccc(NCc2ccc(C[NH+]3CCOCC3)cc2)c([N+](=O)[O-])c1 ZINC000018061472 494421894 /nfs/dbraw/zinc/42/18/94/494421894.db2.gz FZQCNJFWLMFTOM-UHFFFAOYSA-N 1 1 369.421 3.242 20 5 FGBDMO Cc1c(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)cccc1[N+](=O)[O-] ZINC000056039454 494445555 /nfs/dbraw/zinc/44/55/55/494445555.db2.gz YROZLXUWYIVERH-UHFFFAOYSA-N 1 1 369.421 3.030 20 5 FGBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1cccc(F)c1 ZINC000019540951 494448841 /nfs/dbraw/zinc/44/88/41/494448841.db2.gz QNWXEXRPFXHRRH-UHFFFAOYSA-N 1 1 361.373 3.203 20 5 FGBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1cccc(F)c1 ZINC000019540951 494448845 /nfs/dbraw/zinc/44/88/45/494448845.db2.gz QNWXEXRPFXHRRH-UHFFFAOYSA-N 1 1 361.373 3.203 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000056530449 494521789 /nfs/dbraw/zinc/52/17/89/494521789.db2.gz MBQAMBCKFOSNTA-UHFFFAOYSA-N 1 1 366.381 3.114 20 5 FGBDMO C[N@H+](Cc1cc2ccccc2o1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000080070895 494585826 /nfs/dbraw/zinc/58/58/26/494585826.db2.gz HCPCQAIJLINXNM-INIZCTEOSA-N 1 1 356.378 3.213 20 5 FGBDMO Cn1cc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000121172492 494629078 /nfs/dbraw/zinc/62/90/78/494629078.db2.gz BLGMSOBXVVTXSQ-OAHLLOKOSA-N 1 1 366.425 3.098 20 5 FGBDMO C[C@@H]1C[NH+](CC2CCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000092587087 494678428 /nfs/dbraw/zinc/67/84/28/494678428.db2.gz CJUDJNVAPUVXDK-JORFTBQQSA-N 1 1 373.497 3.429 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2Cc2ccccc2)c1 ZINC000025359609 494727281 /nfs/dbraw/zinc/72/72/81/494727281.db2.gz WXEWIRSFCUFEMW-IEBWSBKVSA-N 1 1 356.422 3.042 20 5 FGBDMO Cc1cc(NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000080543924 494732075 /nfs/dbraw/zinc/73/20/75/494732075.db2.gz JDOBKLOLNFLRRP-QGZVFWFLSA-N 1 1 354.882 3.241 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCO[C@@H](c4ccco4)C3)o2)c1 ZINC000121464217 494768298 /nfs/dbraw/zinc/76/82/98/494768298.db2.gz LCGOQBCATJRADX-GOSISDBHSA-N 1 1 369.377 3.459 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCO[C@@H](c4ccco4)C3)o2)c1 ZINC000121464217 494768304 /nfs/dbraw/zinc/76/83/04/494768304.db2.gz LCGOQBCATJRADX-GOSISDBHSA-N 1 1 369.377 3.459 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@H+](C)CCOc2ccccc2)cccc1[N+](=O)[O-] ZINC000026183150 494807837 /nfs/dbraw/zinc/80/78/37/494807837.db2.gz UXMXCEXZJGLMRE-HNNXBMFYSA-N 1 1 357.410 3.241 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@@H+](C)CCOc2ccccc2)cccc1[N+](=O)[O-] ZINC000026183150 494807840 /nfs/dbraw/zinc/80/78/40/494807840.db2.gz UXMXCEXZJGLMRE-HNNXBMFYSA-N 1 1 357.410 3.241 20 5 FGBDMO COc1ccc(C[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000026225012 494810559 /nfs/dbraw/zinc/81/05/59/494810559.db2.gz OKMLYYFWOMPEJC-UHFFFAOYSA-N 1 1 373.409 3.073 20 5 FGBDMO Cc1ccccc1NC1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000116539221 494811049 /nfs/dbraw/zinc/81/10/49/494811049.db2.gz IQTRGEULTFOZLU-UHFFFAOYSA-N 1 1 368.437 3.079 20 5 FGBDMO Cc1cccc(N2CCC(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)[nH+]1 ZINC000116670725 494835467 /nfs/dbraw/zinc/83/54/67/494835467.db2.gz BSZONSLFSWJCHF-UHFFFAOYSA-N 1 1 374.828 3.350 20 5 FGBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000121678482 494836224 /nfs/dbraw/zinc/83/62/24/494836224.db2.gz WRXUZQKRFFKEMW-INIZCTEOSA-N 1 1 374.485 3.389 20 5 FGBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000027391011 494866203 /nfs/dbraw/zinc/86/62/03/494866203.db2.gz AFRNMYXSWQIKPZ-UHFFFAOYSA-N 1 1 367.449 3.180 20 5 FGBDMO COC(=O)CCC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000093341687 494874235 /nfs/dbraw/zinc/87/42/35/494874235.db2.gz RPPXCCDLBHSAPW-UHFFFAOYSA-N 1 1 372.368 3.361 20 5 FGBDMO Cc1c(CC(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000127088959 494892106 /nfs/dbraw/zinc/89/21/06/494892106.db2.gz QTUNSVNYPHLVJG-MRXNPFEDSA-N 1 1 369.465 3.473 20 5 FGBDMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(Cc1csc(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC000093614662 494905327 /nfs/dbraw/zinc/90/53/27/494905327.db2.gz JCUMHHKKULMNNU-DOTOQJQBSA-N 1 1 358.467 3.387 20 5 FGBDMO C[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2C1 ZINC000117651372 494942209 /nfs/dbraw/zinc/94/22/09/494942209.db2.gz DQRFGRFXPBWGKS-UHFFFAOYSA-N 1 1 359.813 3.269 20 5 FGBDMO C[N@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2C1 ZINC000117651372 494942214 /nfs/dbraw/zinc/94/22/14/494942214.db2.gz DQRFGRFXPBWGKS-UHFFFAOYSA-N 1 1 359.813 3.269 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@@H]3CCCC[C@H]3n3cccn3)n2)c1 ZINC000127824533 495003707 /nfs/dbraw/zinc/00/37/07/495003707.db2.gz CQKMMVUWBAIUHR-HZPDHXFCSA-N 1 1 368.397 3.115 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]2CC[C@H](C1)[N@H+]2C(C)C ZINC000122898856 495048635 /nfs/dbraw/zinc/04/86/35/495048635.db2.gz YNNJKMHRCPWZTC-DZGCQCFKSA-N 1 1 362.430 3.082 20 5 FGBDMO Cc1nc(C[C@@H]2CCC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)no1 ZINC000118965063 495059290 /nfs/dbraw/zinc/05/92/90/495059290.db2.gz SJJVISBKJGQMBZ-LBPRGKRZSA-N 1 1 350.806 3.394 20 5 FGBDMO Cc1nc(C[C@@H]2CCC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)no1 ZINC000118965063 495059295 /nfs/dbraw/zinc/05/92/95/495059295.db2.gz SJJVISBKJGQMBZ-LBPRGKRZSA-N 1 1 350.806 3.394 20 5 FGBDMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000128257210 495068552 /nfs/dbraw/zinc/06/85/52/495068552.db2.gz YDBJJPMKXPCDDH-OAHLLOKOSA-N 1 1 363.801 3.408 20 5 FGBDMO C[C@@H](NC(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000111474011 495079634 /nfs/dbraw/zinc/07/96/34/495079634.db2.gz LGUVFKMCFPALSR-JKSUJKDBSA-N 1 1 370.453 3.476 20 5 FGBDMO CS[C@@H]1CCCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000134578470 495170600 /nfs/dbraw/zinc/17/06/00/495170600.db2.gz DQLAEDCFWWFDNX-OAHLLOKOSA-N 1 1 351.472 3.449 20 5 FGBDMO C[N@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000119884920 495261610 /nfs/dbraw/zinc/26/16/10/495261610.db2.gz LOBKNTQAAPMDOZ-AWEZNQCLSA-N 1 1 363.483 3.454 20 5 FGBDMO O=c1cc(C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)c2c(ccc3ccccc32)o1 ZINC000119903867 495266763 /nfs/dbraw/zinc/26/67/63/495266763.db2.gz SXKIEWIIHKMGNR-MRXNPFEDSA-N 1 1 374.444 3.450 20 5 FGBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000130302611 495370803 /nfs/dbraw/zinc/37/08/03/495370803.db2.gz PRUOAOZZPGVJQF-UHFFFAOYSA-N 1 1 366.421 3.458 20 5 FGBDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000130718258 495435625 /nfs/dbraw/zinc/43/56/25/495435625.db2.gz MQDCEBQKHJCSAY-QGZVFWFLSA-N 1 1 371.441 3.409 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@H+](C[C@@H](O)COc2ccc(F)cc2)C2CC2)cc1 ZINC000130805235 495448590 /nfs/dbraw/zinc/44/85/90/495448590.db2.gz DYXADUWYDZGOKX-GOSISDBHSA-N 1 1 360.385 3.138 20 5 FGBDMO C[N@@H+](CCc1ccccn1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000120825525 495465436 /nfs/dbraw/zinc/46/54/36/495465436.db2.gz RMWIYDFLVXTBPI-UHFFFAOYSA-N 1 1 350.216 3.427 20 5 FGBDMO C[C@@H]1C[C@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000131261674 495514391 /nfs/dbraw/zinc/51/43/91/495514391.db2.gz MXLQALNLJSMKFR-GDBMZVCRSA-N 1 1 371.412 3.374 20 5 FGBDMO Cc1sc(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000149580375 495596633 /nfs/dbraw/zinc/59/66/33/495596633.db2.gz WWJRDPVAPBTOEU-BETUJISGSA-N 1 1 353.488 3.453 20 5 FGBDMO CCN(C[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1)CC(F)(F)F ZINC000176405255 495639142 /nfs/dbraw/zinc/63/91/42/495639142.db2.gz FOHIRXGMYYVMLI-GFCCVEGCSA-N 1 1 363.355 3.440 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000182891403 495744681 /nfs/dbraw/zinc/74/46/81/495744681.db2.gz BSOWBSHKLIGASN-HKUYNNGSSA-N 1 1 360.502 3.066 20 5 FGBDMO C[C@H]1CCC[N@H+]1C1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000154892382 495763648 /nfs/dbraw/zinc/76/36/48/495763648.db2.gz CWVUHXPZVSGFBB-NSHDSACASA-N 1 1 369.263 3.205 20 5 FGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(CCCN2CCOCC2)CC1 ZINC000182957960 495774436 /nfs/dbraw/zinc/77/44/36/495774436.db2.gz ZDRACOMRPNQFRN-QGZVFWFLSA-N 1 1 361.486 3.480 20 5 FGBDMO CC(C)NC(=O)c1ccc(N2CCC([N@H+]3CCC[C@H]3C)CC2)c([N+](=O)[O-])c1 ZINC000154961533 495785638 /nfs/dbraw/zinc/78/56/38/495785638.db2.gz LMSULOVUKICLBC-OAHLLOKOSA-N 1 1 374.485 3.186 20 5 FGBDMO C[C@H](Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000183007026 495794817 /nfs/dbraw/zinc/79/48/17/495794817.db2.gz KCQAJQVFVWGXGB-IFXJQAMLSA-N 1 1 368.437 3.218 20 5 FGBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000155042130 495814208 /nfs/dbraw/zinc/81/42/08/495814208.db2.gz OAHQQUPBCGTDAU-RDJZCZTQSA-N 1 1 359.470 3.449 20 5 FGBDMO Cc1ccc(N2CCC(NC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2)[nH+]c1 ZINC000174187578 495855384 /nfs/dbraw/zinc/85/53/84/495855384.db2.gz UVRHKLIBISDCLM-UHFFFAOYSA-N 1 1 369.425 3.397 20 5 FGBDMO Cc1c(NC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cccc1[N+](=O)[O-] ZINC000151548557 495875358 /nfs/dbraw/zinc/87/53/58/495875358.db2.gz WRQSFSZQAHXUIP-QGZVFWFLSA-N 1 1 369.421 3.133 20 5 FGBDMO Cc1c(NC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cccc1[N+](=O)[O-] ZINC000151548557 495875364 /nfs/dbraw/zinc/87/53/64/495875364.db2.gz WRQSFSZQAHXUIP-QGZVFWFLSA-N 1 1 369.421 3.133 20 5 FGBDMO CCN(C(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186307975 495940732 /nfs/dbraw/zinc/94/07/32/495940732.db2.gz PQVRAQGXKRRIKE-QGZVFWFLSA-N 1 1 353.422 3.331 20 5 FGBDMO COc1ccc([C@H](C)C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000180344468 495960085 /nfs/dbraw/zinc/96/00/85/495960085.db2.gz HUEZRGQLVHVSSX-ZBFHGGJFSA-N 1 1 356.426 3.288 20 5 FGBDMO C[C@]12CCC[N@@H+]1C[C@H](c1noc(/C=C\c3ccc(F)cc3[N+](=O)[O-])n1)OC2 ZINC000568971296 505821908 /nfs/dbraw/zinc/82/19/08/505821908.db2.gz WMORNJVIBPMYPT-CLUARGJDSA-N 1 1 374.372 3.213 20 5 FGBDMO C[C@]12CCC[N@H+]1C[C@H](c1noc(/C=C\c3ccc(F)cc3[N+](=O)[O-])n1)OC2 ZINC000568971296 505821911 /nfs/dbraw/zinc/82/19/11/505821911.db2.gz WMORNJVIBPMYPT-CLUARGJDSA-N 1 1 374.372 3.213 20 5 FGBDMO COc1ccc(C[N@@H+](Cc2ccccc2)[C@@H](CO)C2CC2)cc1[N+](=O)[O-] ZINC000155951266 496115667 /nfs/dbraw/zinc/11/56/67/496115667.db2.gz QXAHQDMKTUBGEH-IBGZPJMESA-N 1 1 356.422 3.377 20 5 FGBDMO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000174841025 496128454 /nfs/dbraw/zinc/12/84/54/496128454.db2.gz AFIHGGWNSSBOII-CYBMUJFWSA-N 1 1 353.850 3.232 20 5 FGBDMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000174841025 496128458 /nfs/dbraw/zinc/12/84/58/496128458.db2.gz AFIHGGWNSSBOII-CYBMUJFWSA-N 1 1 353.850 3.232 20 5 FGBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000569006895 505828860 /nfs/dbraw/zinc/82/88/60/505828860.db2.gz PAWCAXVHLOBHFX-LLVKDONJSA-N 1 1 359.348 3.074 20 5 FGBDMO O=C(CC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1)N1CCCC1 ZINC000172175781 496196183 /nfs/dbraw/zinc/19/61/83/496196183.db2.gz PHFOQWRYBZGPAU-UHFFFAOYSA-N 1 1 365.861 3.473 20 5 FGBDMO Cc1c(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000156550330 496275998 /nfs/dbraw/zinc/27/59/98/496275998.db2.gz RPQLYPIKBVHDQW-KBXCAEBGSA-N 1 1 358.442 3.384 20 5 FGBDMO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC2 ZINC000152863889 496279243 /nfs/dbraw/zinc/27/92/43/496279243.db2.gz TXEFFNZVVKNEAD-JKSUJKDBSA-N 1 1 354.834 3.000 20 5 FGBDMO Cc1[nH+]cc2n1C[C@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)CC2 ZINC000580781617 505837541 /nfs/dbraw/zinc/83/75/41/505837541.db2.gz WVUHQCKCQQZVSD-MRXNPFEDSA-N 1 1 356.426 3.099 20 5 FGBDMO Cc1[nH+]ccn1CCCCNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153055671 496337986 /nfs/dbraw/zinc/33/79/86/496337986.db2.gz GZMYWTDBHHJUBG-UHFFFAOYSA-N 1 1 371.441 3.254 20 5 FGBDMO COCCC[N@@H+](C)CCNC(=O)c1cc2ccccc2c2cccnc12 ZINC000172669004 496380007 /nfs/dbraw/zinc/38/00/07/496380007.db2.gz ALSPBVKTUJQHEP-UHFFFAOYSA-N 1 1 351.450 3.086 20 5 FGBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000178309422 496407592 /nfs/dbraw/zinc/40/75/92/496407592.db2.gz MUALDDGUACNBIA-DOMZBBRYSA-N 1 1 359.451 3.366 20 5 FGBDMO Cc1csc([C@H]([NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000181614861 496470977 /nfs/dbraw/zinc/47/09/77/496470977.db2.gz PALFUDJCARSIFD-XHDPSFHLSA-N 1 1 360.439 3.428 20 5 FGBDMO C[C@@H](NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181648358 496486145 /nfs/dbraw/zinc/48/61/45/496486145.db2.gz BLGASLQXCMDNGE-NEPJUHHUSA-N 1 1 367.396 3.256 20 5 FGBDMO CCC[N@@H+]1Cc2cccc(NC(=O)CN(C)c3ccccc3[N+](=O)[O-])c2C1 ZINC000173024121 496523978 /nfs/dbraw/zinc/52/39/78/496523978.db2.gz OQIFVJLSVGCDLP-UHFFFAOYSA-N 1 1 368.437 3.395 20 5 FGBDMO CCC[N@H+]1Cc2cccc(NC(=O)CN(C)c3ccccc3[N+](=O)[O-])c2C1 ZINC000173024121 496523984 /nfs/dbraw/zinc/52/39/84/496523984.db2.gz OQIFVJLSVGCDLP-UHFFFAOYSA-N 1 1 368.437 3.395 20 5 FGBDMO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000153691313 496546828 /nfs/dbraw/zinc/54/68/28/496546828.db2.gz OQYJATWSJVSJMU-MLGOLLRUSA-N 1 1 363.845 3.337 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000178731482 496553226 /nfs/dbraw/zinc/55/32/26/496553226.db2.gz GAYBROLVJDVIRV-MRXNPFEDSA-N 1 1 362.474 3.104 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000187742639 496554148 /nfs/dbraw/zinc/55/41/48/496554148.db2.gz ZNEQCDYRGSPNKE-UHFFFAOYSA-N 1 1 358.394 3.087 20 5 FGBDMO COc1ccccc1[C@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000157965355 496597358 /nfs/dbraw/zinc/59/73/58/496597358.db2.gz PPBGXYHAOUUFON-HNNXBMFYSA-N 1 1 369.421 3.340 20 5 FGBDMO COc1ccccc1[C@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000157965355 496597361 /nfs/dbraw/zinc/59/73/61/496597361.db2.gz PPBGXYHAOUUFON-HNNXBMFYSA-N 1 1 369.421 3.340 20 5 FGBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000153867593 496606726 /nfs/dbraw/zinc/60/67/26/496606726.db2.gz VKUXWKVXSJFYPQ-OAHLLOKOSA-N 1 1 372.469 3.247 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CCc3cccc(F)c3C2)cccc1[N+](=O)[O-] ZINC000158045766 496614696 /nfs/dbraw/zinc/61/46/96/496614696.db2.gz ZIANOUPGPYKWDL-UHFFFAOYSA-N 1 1 357.385 3.429 20 5 FGBDMO CCc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000173262753 496616423 /nfs/dbraw/zinc/61/64/23/496616423.db2.gz FBPOKHHQPIQQNA-QGZVFWFLSA-N 1 1 357.410 3.317 20 5 FGBDMO CCC[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000182172989 496696681 /nfs/dbraw/zinc/69/66/81/496696681.db2.gz PHEUQAUINJPEFV-UHFFFAOYSA-N 1 1 362.451 3.281 20 5 FGBDMO CCC[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000182172989 496696684 /nfs/dbraw/zinc/69/66/84/496696684.db2.gz PHEUQAUINJPEFV-UHFFFAOYSA-N 1 1 362.451 3.281 20 5 FGBDMO CC(C)Oc1cccc(C[N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000182256794 496720858 /nfs/dbraw/zinc/72/08/58/496720858.db2.gz BQCKKZRSNOFJCU-KRWDZBQOSA-N 1 1 374.437 3.254 20 5 FGBDMO CCCn1ccnc1CCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000191497816 496784978 /nfs/dbraw/zinc/78/49/78/496784978.db2.gz KJWFTSJVJNXNCT-OAHLLOKOSA-N 1 1 373.457 3.093 20 5 FGBDMO COc1ccc(CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000268788711 496787473 /nfs/dbraw/zinc/78/74/73/496787473.db2.gz BBGOHXHJUFFTED-OAHLLOKOSA-N 1 1 373.453 3.395 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000574844112 505866384 /nfs/dbraw/zinc/86/63/84/505866384.db2.gz CXRFPVOPNRNMER-GDBMZVCRSA-N 1 1 354.410 3.196 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000574844112 505866388 /nfs/dbraw/zinc/86/63/88/505866388.db2.gz CXRFPVOPNRNMER-GDBMZVCRSA-N 1 1 354.410 3.196 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@H](c4nccs4)C3)n2)c1 ZINC000195340800 496895720 /nfs/dbraw/zinc/89/57/20/496895720.db2.gz WHGFPCXODQXJDY-CYBMUJFWSA-N 1 1 371.422 3.481 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@H](c4nccs4)C3)n2)c1 ZINC000195340800 496895724 /nfs/dbraw/zinc/89/57/24/496895724.db2.gz WHGFPCXODQXJDY-CYBMUJFWSA-N 1 1 371.422 3.481 20 5 FGBDMO CCC[N@@H+]1Cc2cccc(NC(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])c2C1 ZINC000269377320 496932936 /nfs/dbraw/zinc/93/29/36/496932936.db2.gz IIPGISSHNSACSV-UHFFFAOYSA-N 1 1 357.414 3.419 20 5 FGBDMO CCC[N@H+]1Cc2cccc(NC(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])c2C1 ZINC000269377320 496932939 /nfs/dbraw/zinc/93/29/39/496932939.db2.gz IIPGISSHNSACSV-UHFFFAOYSA-N 1 1 357.414 3.419 20 5 FGBDMO CC(C)[N@H+](C)Cc1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000273874713 496940127 /nfs/dbraw/zinc/94/01/27/496940127.db2.gz QPRFPTUWPNNJBY-UHFFFAOYSA-N 1 1 369.219 3.171 20 5 FGBDMO CC(C)[N@@H+](C)Cc1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000273874713 496940136 /nfs/dbraw/zinc/94/01/36/496940136.db2.gz QPRFPTUWPNNJBY-UHFFFAOYSA-N 1 1 369.219 3.171 20 5 FGBDMO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000269581547 496974045 /nfs/dbraw/zinc/97/40/45/496974045.db2.gz WLOWDWIBJFIRAE-WMLDXEAASA-N 1 1 368.437 3.165 20 5 FGBDMO COc1ccc(Cl)c(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000192107529 496996575 /nfs/dbraw/zinc/99/65/75/496996575.db2.gz SWMHEONYHMYHAM-CYBMUJFWSA-N 1 1 362.817 3.338 20 5 FGBDMO COc1ccc(Cl)c(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000192107529 496996577 /nfs/dbraw/zinc/99/65/77/496996577.db2.gz SWMHEONYHMYHAM-CYBMUJFWSA-N 1 1 362.817 3.338 20 5 FGBDMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000248458708 497019088 /nfs/dbraw/zinc/01/90/88/497019088.db2.gz QNYKPCXGGBWLFB-YPMHNXCESA-N 1 1 369.874 3.035 20 5 FGBDMO O=C(CC[N@@H+](Cc1ccccn1)C1CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000189314168 497078375 /nfs/dbraw/zinc/07/83/75/497078375.db2.gz RMAIJFXYRZWSQI-UHFFFAOYSA-N 1 1 358.373 3.122 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000248687344 497080155 /nfs/dbraw/zinc/08/01/55/497080155.db2.gz AQFDGFPIRRZYFG-NVXWUHKLSA-N 1 1 353.422 3.154 20 5 FGBDMO CCN(CC)[C@@H](C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-])c1ccccc1 ZINC000236845113 497155969 /nfs/dbraw/zinc/15/59/69/497155969.db2.gz KLPJGEQWDKCNJX-SFHVURJKSA-N 1 1 373.453 3.482 20 5 FGBDMO CC(C)N1CC[NH+](C2CCN([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000270951565 497232017 /nfs/dbraw/zinc/23/20/17/497232017.db2.gz SWZUVDJUSIMMKG-KRWDZBQOSA-N 1 1 360.502 3.146 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000278878865 497251897 /nfs/dbraw/zinc/25/18/97/497251897.db2.gz YLCWSQUPILEALZ-UHFFFAOYSA-N 1 1 360.439 3.379 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000278878865 497251903 /nfs/dbraw/zinc/25/19/03/497251903.db2.gz YLCWSQUPILEALZ-UHFFFAOYSA-N 1 1 360.439 3.379 20 5 FGBDMO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])n2)c1 ZINC000578247377 505897653 /nfs/dbraw/zinc/89/76/53/505897653.db2.gz TUNAGYCKOPHYRH-IUODEOHRSA-N 1 1 364.409 3.421 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000193244758 497331972 /nfs/dbraw/zinc/33/19/72/497331972.db2.gz NYGATGKZIHHIQN-UHFFFAOYSA-N 1 1 353.422 3.081 20 5 FGBDMO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000271464837 497355549 /nfs/dbraw/zinc/35/55/49/497355549.db2.gz KWTXTSOKEWYGTN-NSHDSACASA-N 1 1 370.377 3.442 20 5 FGBDMO COc1ccccc1[C@@H](C)NC(=O)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271671904 497415879 /nfs/dbraw/zinc/41/58/79/497415879.db2.gz BBZBMRTYYJMPRU-ZIAGYGMSSA-N 1 1 357.410 3.131 20 5 FGBDMO CCc1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000261957354 497483032 /nfs/dbraw/zinc/48/30/32/497483032.db2.gz MCBMVMALQDURON-GOSISDBHSA-N 1 1 357.385 3.083 20 5 FGBDMO C[C@@H](O)C[C@H]1CCCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000279716826 497519305 /nfs/dbraw/zinc/51/93/05/497519305.db2.gz INEPOZGGXRAORS-GDBMZVCRSA-N 1 1 359.426 3.418 20 5 FGBDMO COc1cc(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)c([N+](=O)[O-])cc1OC ZINC000245748709 497527261 /nfs/dbraw/zinc/52/72/61/497527261.db2.gz NJBGQNCQRYDOIO-DYVFJYSZSA-N 1 1 352.456 3.472 20 5 FGBDMO COc1cc(C[N@H+]2CCS[C@H]3CCCC[C@H]32)c([N+](=O)[O-])cc1OC ZINC000245748709 497527263 /nfs/dbraw/zinc/52/72/63/497527263.db2.gz NJBGQNCQRYDOIO-DYVFJYSZSA-N 1 1 352.456 3.472 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000267381295 497538405 /nfs/dbraw/zinc/53/84/05/497538405.db2.gz GYBVAPRDPMIZEZ-OXJNMPFZSA-N 1 1 367.449 3.164 20 5 FGBDMO C[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272183222 497558063 /nfs/dbraw/zinc/55/80/63/497558063.db2.gz AJKUYOCPLKCTDX-HOCLYGCPSA-N 1 1 371.412 3.374 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000267495575 497567071 /nfs/dbraw/zinc/56/70/71/497567071.db2.gz XBLSLESDXTYZPV-APWZRJJASA-N 1 1 367.449 3.164 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000272329290 497597723 /nfs/dbraw/zinc/59/77/23/497597723.db2.gz MSZFMZYIEZPGDX-KCXAZCMYSA-N 1 1 374.441 3.435 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000246152410 497640115 /nfs/dbraw/zinc/64/01/15/497640115.db2.gz VQWVNTWAUUPJLT-XHDPSFHLSA-N 1 1 373.375 3.416 20 5 FGBDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1csc([N+](=O)[O-])c1 ZINC000280075907 497640794 /nfs/dbraw/zinc/64/07/94/497640794.db2.gz VKTJQCROFKVFLZ-HOCLYGCPSA-N 1 1 357.435 3.413 20 5 FGBDMO CCC(CC)(CCO)C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272552803 497660687 /nfs/dbraw/zinc/66/06/87/497660687.db2.gz RPMUEXXPZWHHPN-KRWDZBQOSA-N 1 1 360.458 3.196 20 5 FGBDMO Cc1nc(C)c([C@H](C)[N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000246283763 497683822 /nfs/dbraw/zinc/68/38/22/497683822.db2.gz AVADKVRZHKKTTO-SWLSCSKDSA-N 1 1 365.455 3.101 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c([N+](=O)[O-])c1 ZINC000194712234 497746653 /nfs/dbraw/zinc/74/66/53/497746653.db2.gz XKYFXRHYQBRXCW-SFHVURJKSA-N 1 1 355.350 3.134 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c([N+](=O)[O-])c1 ZINC000194712234 497746654 /nfs/dbraw/zinc/74/66/54/497746654.db2.gz XKYFXRHYQBRXCW-SFHVURJKSA-N 1 1 355.350 3.134 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000194834337 497785492 /nfs/dbraw/zinc/78/54/92/497785492.db2.gz QUAFFKJIOPDAOR-RDJZCZTQSA-N 1 1 353.422 3.296 20 5 FGBDMO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@@H](C)C1 ZINC000246695446 497801162 /nfs/dbraw/zinc/80/11/62/497801162.db2.gz KRVYEAOMUFEXOV-CHWSQXEVSA-N 1 1 353.850 3.027 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC=C(c2cccnc2)C1 ZINC000295939790 497861362 /nfs/dbraw/zinc/86/13/62/497861362.db2.gz KXLVHQJMSWUNIE-UHFFFAOYSA-N 1 1 366.421 3.416 20 5 FGBDMO Cc1c(NC(=O)CCN2CC[N@H+](C3CCC3)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000292104147 497879122 /nfs/dbraw/zinc/87/91/22/497879122.db2.gz GKDWQZMCBSYNEC-HNNXBMFYSA-N 1 1 374.485 3.038 20 5 FGBDMO CCOc1cc(C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)ccc1OC ZINC000364329585 497902535 /nfs/dbraw/zinc/90/25/35/497902535.db2.gz SHSLBHDXBRUJQM-HNNXBMFYSA-N 1 1 360.414 3.036 20 5 FGBDMO CC(C)(CCC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[N+](=O)[O-] ZINC000296049340 497902891 /nfs/dbraw/zinc/90/28/91/497902891.db2.gz NOIZAUITZATNKE-GOSISDBHSA-N 1 1 361.486 3.240 20 5 FGBDMO CCNC(=O)C[C@H]1CCCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000284959998 497954792 /nfs/dbraw/zinc/95/47/92/497954792.db2.gz XGDMAASNHCCYBG-QGZVFWFLSA-N 1 1 372.425 3.131 20 5 FGBDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1ccc([N+](=O)[O-])s1 ZINC000280953277 497964221 /nfs/dbraw/zinc/96/42/21/497964221.db2.gz GNYPIKWPNSHVNN-UKRRQHHQSA-N 1 1 357.435 3.413 20 5 FGBDMO CSC[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000292355868 497983676 /nfs/dbraw/zinc/98/36/76/497983676.db2.gz HUKFIJOQOBHOTK-CQSZACIVSA-N 1 1 351.472 3.307 20 5 FGBDMO COc1cc(C(=O)N2CCC(Nc3cccc(C)[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000364584400 498036609 /nfs/dbraw/zinc/03/66/09/498036609.db2.gz UCFBASYCMHFDTP-UHFFFAOYSA-N 1 1 370.409 3.024 20 5 FGBDMO CCN1CC[NH+](Cc2ccc(CNc3ncc(C)cc3[N+](=O)[O-])cc2)CC1 ZINC000301461653 498119453 /nfs/dbraw/zinc/11/94/53/498119453.db2.gz UURPHIPLPIDUBT-UHFFFAOYSA-N 1 1 369.469 3.048 20 5 FGBDMO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccco1 ZINC000292748029 498132083 /nfs/dbraw/zinc/13/20/83/498132083.db2.gz VJXPRCGLQSIVDN-CYBMUJFWSA-N 1 1 371.315 3.239 20 5 FGBDMO O=[N+]([O-])c1ccc(SC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)nc1 ZINC000578627678 505984863 /nfs/dbraw/zinc/98/48/63/505984863.db2.gz QOKILWNZJMALCN-QGZVFWFLSA-N 1 1 359.451 3.373 20 5 FGBDMO Cc1ccc(N2CCC[C@H](C(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)[nH+]c1 ZINC000364790212 498143588 /nfs/dbraw/zinc/14/35/88/498143588.db2.gz UHIPQJGAQCNWHT-HNNXBMFYSA-N 1 1 354.410 3.178 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000289446774 498149724 /nfs/dbraw/zinc/14/97/24/498149724.db2.gz KRTKDPTZLZWGSU-CHWSQXEVSA-N 1 1 373.375 3.355 20 5 FGBDMO CN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285664139 498163977 /nfs/dbraw/zinc/16/39/77/498163977.db2.gz MIWBPJVJBDVREN-QYJAPNMZSA-N 1 1 352.822 3.337 20 5 FGBDMO C[N@H+]1CC[C@@H]2OCCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)[C@H]2C1 ZINC000581444623 505989843 /nfs/dbraw/zinc/98/98/43/505989843.db2.gz SKTFVAUOUUHPGL-ROUUACIJSA-N 1 1 373.478 3.228 20 5 FGBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1c(F)cncc1F ZINC000285696554 498174972 /nfs/dbraw/zinc/17/49/72/498174972.db2.gz OPPPRAOQBHQHAV-MNOVXSKESA-N 1 1 364.352 3.336 20 5 FGBDMO C[C@@H]1C[C@H](Nc2nc3sccn3c2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000301623927 498192475 /nfs/dbraw/zinc/19/24/75/498192475.db2.gz OWZSXWXIGCTGCQ-OCCSQVGLSA-N 1 1 357.439 3.379 20 5 FGBDMO CCOC(=O)c1cc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)ccc1[N+](=O)[O-] ZINC000301631933 498197862 /nfs/dbraw/zinc/19/78/62/498197862.db2.gz JJBJBLGXPIGDMM-ZBFHGGJFSA-N 1 1 361.442 3.223 20 5 FGBDMO Cn1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000289740708 498272091 /nfs/dbraw/zinc/27/20/91/498272091.db2.gz QEIKRYBHVZUSAL-DFNIBXOVSA-N 1 1 369.469 3.052 20 5 FGBDMO Cn1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000289740708 498272095 /nfs/dbraw/zinc/27/20/95/498272095.db2.gz QEIKRYBHVZUSAL-DFNIBXOVSA-N 1 1 369.469 3.052 20 5 FGBDMO Cn1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000289740708 498272099 /nfs/dbraw/zinc/27/20/99/498272099.db2.gz QEIKRYBHVZUSAL-DFNIBXOVSA-N 1 1 369.469 3.052 20 5 FGBDMO Cn1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000289740708 498272106 /nfs/dbraw/zinc/27/21/06/498272106.db2.gz QEIKRYBHVZUSAL-DFNIBXOVSA-N 1 1 369.469 3.052 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]CC1(O)CCC(C)(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000581559531 506015351 /nfs/dbraw/zinc/01/53/51/506015351.db2.gz CAYBYWILMIXPNP-KRWDZBQOSA-N 1 1 372.469 3.339 20 5 FGBDMO COC(=O)c1csc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000286248304 498338809 /nfs/dbraw/zinc/33/88/09/498338809.db2.gz UHFANYQREIOEGL-JTQLQIEISA-N 1 1 350.396 3.302 20 5 FGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@@H](n3cnc4ccccc43)C2)c1 ZINC000361189381 498357912 /nfs/dbraw/zinc/35/79/12/498357912.db2.gz HTOBQGLNBGGQBU-XLIONFOSSA-N 1 1 366.421 3.315 20 5 FGBDMO Cc1cc(N2CC[NH+](Cc3ccccn3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302004835 498364169 /nfs/dbraw/zinc/36/41/69/498364169.db2.gz KOYBXDCUDNMLTP-UHFFFAOYSA-N 1 1 363.421 3.169 20 5 FGBDMO O=C([C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1)N1CCCC1 ZINC000293437022 498384380 /nfs/dbraw/zinc/38/43/80/498384380.db2.gz BRJUSFFXMNJPLV-LBPRGKRZSA-N 1 1 371.359 3.058 20 5 FGBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)C2)C1 ZINC000293594035 498423000 /nfs/dbraw/zinc/42/30/00/498423000.db2.gz BHMALQUGLCMMCL-JOCHJYFZSA-N 1 1 361.445 3.261 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@H](OC)C[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000282276025 498449459 /nfs/dbraw/zinc/44/94/59/498449459.db2.gz HVQZSFPURNQCNY-AAEUAGOBSA-N 1 1 374.384 3.247 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@H](OC)C[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000282276025 498449464 /nfs/dbraw/zinc/44/94/64/498449464.db2.gz HVQZSFPURNQCNY-AAEUAGOBSA-N 1 1 374.384 3.247 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2cc([N+](=O)[O-])cc(F)c2F)cn1 ZINC000365415929 498456122 /nfs/dbraw/zinc/45/61/22/498456122.db2.gz RNWQJSWBXXOVAO-UHFFFAOYSA-N 1 1 359.292 3.014 20 5 FGBDMO CCc1nocc1C[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000293705483 498461625 /nfs/dbraw/zinc/46/16/25/498461625.db2.gz RZQNVOWMDXIHEJ-UHFFFAOYSA-N 1 1 355.398 3.178 20 5 FGBDMO CCc1nocc1C[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000293705483 498461632 /nfs/dbraw/zinc/46/16/32/498461632.db2.gz RZQNVOWMDXIHEJ-UHFFFAOYSA-N 1 1 355.398 3.178 20 5 FGBDMO COc1cc(C[NH+]2CCN(c3cccc(C)c3[N+](=O)[O-])CC2)cc(OC)c1 ZINC000302485667 498492390 /nfs/dbraw/zinc/49/23/90/498492390.db2.gz IARRXEWCDZANEJ-UHFFFAOYSA-N 1 1 371.437 3.243 20 5 FGBDMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C2CC2)C[C@@H]1C ZINC000578877113 506043062 /nfs/dbraw/zinc/04/30/62/506043062.db2.gz ZKMGBFNHBDHODM-UONOGXRCSA-N 1 1 370.457 3.107 20 5 FGBDMO Cn1cc(C[N@@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000293880394 498520122 /nfs/dbraw/zinc/52/01/22/498520122.db2.gz DCGOLGLTPADUCI-UXHICEINSA-N 1 1 368.437 3.139 20 5 FGBDMO Cn1cc(C[N@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000293880394 498520128 /nfs/dbraw/zinc/52/01/28/498520128.db2.gz DCGOLGLTPADUCI-UXHICEINSA-N 1 1 368.437 3.139 20 5 FGBDMO CC[N@@H+](C)C[C@@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2Br)C1 ZINC000302681716 498532432 /nfs/dbraw/zinc/53/24/32/498532432.db2.gz PIBIBSOWGYVKDV-LBPRGKRZSA-N 1 1 356.264 3.444 20 5 FGBDMO Cc1ccc([C@H](c2ccccn2)[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000365842039 498665457 /nfs/dbraw/zinc/66/54/57/498665457.db2.gz QDZONRYKHQLUIP-LJQANCHMSA-N 1 1 351.410 3.216 20 5 FGBDMO Cc1ccc(C[C@@H](C)[N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000303755133 498710708 /nfs/dbraw/zinc/71/07/08/498710708.db2.gz MVQRCXPUJZWDIO-MRXNPFEDSA-N 1 1 355.438 3.429 20 5 FGBDMO COc1cc(C(=O)NCCC[N@@H+](C)C2CCCCC2)c([N+](=O)[O-])cc1F ZINC000294517001 498716954 /nfs/dbraw/zinc/71/69/54/498716954.db2.gz RABJEWXWHCKGPI-UHFFFAOYSA-N 1 1 367.421 3.127 20 5 FGBDMO CC(C)(C)S(=O)(=O)CC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290947339 498733393 /nfs/dbraw/zinc/73/33/93/498733393.db2.gz UPYUHVSCECNTHN-UHFFFAOYSA-N 1 1 369.270 3.205 20 5 FGBDMO O=C(Nc1ccc(O)cc1)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000282981425 498735326 /nfs/dbraw/zinc/73/53/26/498735326.db2.gz DLKUIEGWDPMDBH-UHFFFAOYSA-N 1 1 373.384 3.290 20 5 FGBDMO Cc1cccc(CCC[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000576126662 506083279 /nfs/dbraw/zinc/08/32/79/506083279.db2.gz YWYKRKCPJMOQSU-UHFFFAOYSA-N 1 1 367.449 3.294 20 5 FGBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000581917559 506089028 /nfs/dbraw/zinc/08/90/28/506089028.db2.gz IFVOJUQIZFJMLJ-NSHDSACASA-N 1 1 361.364 3.464 20 5 FGBDMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000294727465 498785024 /nfs/dbraw/zinc/78/50/24/498785024.db2.gz GBVJZFLPXCVBDT-GXTWGEPZSA-N 1 1 359.813 3.029 20 5 FGBDMO C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000576165255 506092142 /nfs/dbraw/zinc/09/21/42/506092142.db2.gz GPCDWHJOMGSZMA-JVPBZIDWSA-N 1 1 353.422 3.260 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000319339397 498802247 /nfs/dbraw/zinc/80/22/47/498802247.db2.gz SVOWZCCEIQJULU-IIAWOOMASA-N 1 1 369.259 3.483 20 5 FGBDMO C[C@@H]1C[C@@H](N(C)C(=O)CCC(C)(C)[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000294797637 498810128 /nfs/dbraw/zinc/81/01/28/498810128.db2.gz BGNJFWXITVEHQT-AEFFLSMTSA-N 1 1 361.486 3.333 20 5 FGBDMO CCn1ccnc1[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000298567067 498816931 /nfs/dbraw/zinc/81/69/31/498816931.db2.gz PYWZMPDLHSRJEG-QGZVFWFLSA-N 1 1 371.441 3.367 20 5 FGBDMO CCn1ccnc1[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000298567067 498816934 /nfs/dbraw/zinc/81/69/34/498816934.db2.gz PYWZMPDLHSRJEG-QGZVFWFLSA-N 1 1 371.441 3.367 20 5 FGBDMO C[N@H+]1CCO[C@@H](CSCc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000582845008 506451794 /nfs/dbraw/zinc/45/17/94/506451794.db2.gz ZDWXKVFMXCXGFL-GFCCVEGCSA-N 1 1 350.362 3.177 20 5 FGBDMO Cc1ccc([C@H](C)N[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000366299038 498865066 /nfs/dbraw/zinc/86/50/66/498865066.db2.gz LVGWMMVTPQNSCM-KCITZHQASA-N 1 1 361.486 3.443 20 5 FGBDMO Cc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000366299038 498865072 /nfs/dbraw/zinc/86/50/72/498865072.db2.gz LVGWMMVTPQNSCM-KCITZHQASA-N 1 1 361.486 3.443 20 5 FGBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000291266669 498869727 /nfs/dbraw/zinc/86/97/27/498869727.db2.gz DNGBTEYGMGMYLU-YGRLFVJLSA-N 1 1 372.252 3.458 20 5 FGBDMO Cc1ncsc1CC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000294985200 498870690 /nfs/dbraw/zinc/87/06/90/498870690.db2.gz KEGIQJUIKHIVHX-INIZCTEOSA-N 1 1 357.439 3.015 20 5 FGBDMO CC(=O)c1ccc(N[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000363589793 498892099 /nfs/dbraw/zinc/89/20/99/498892099.db2.gz VNEPQNKKTXZEKU-IAOVAPTHSA-N 1 1 361.442 3.099 20 5 FGBDMO Cc1cc(Cl)c(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000295069799 498898728 /nfs/dbraw/zinc/89/87/28/498898728.db2.gz HRSTYEBXFYJGRA-CYBMUJFWSA-N 1 1 353.850 3.264 20 5 FGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000295092936 498907572 /nfs/dbraw/zinc/90/75/72/498907572.db2.gz GFCHYPOXSKMDBE-YJBOKZPZSA-N 1 1 370.453 3.286 20 5 FGBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291381647 498918167 /nfs/dbraw/zinc/91/81/67/498918167.db2.gz BMWCOJHSRILFIX-SECBINFHSA-N 1 1 371.224 3.473 20 5 FGBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)c1 ZINC000299216837 498997310 /nfs/dbraw/zinc/99/73/10/498997310.db2.gz KTSCRIWBAJRZOB-UHFFFAOYSA-N 1 1 371.437 3.374 20 5 FGBDMO CCOc1cc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)ccc1[N+](=O)[O-] ZINC000366787224 499073721 /nfs/dbraw/zinc/07/37/21/499073721.db2.gz KUKYEJLBIDIJDR-DOXZYTNZSA-N 1 1 364.442 3.152 20 5 FGBDMO CCOc1cc(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)ccc1[N+](=O)[O-] ZINC000366787224 499073724 /nfs/dbraw/zinc/07/37/24/499073724.db2.gz KUKYEJLBIDIJDR-DOXZYTNZSA-N 1 1 364.442 3.152 20 5 FGBDMO C[C@H](NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000284275821 499081395 /nfs/dbraw/zinc/08/13/95/499081395.db2.gz XQEMCIHNOAGLDJ-ZFWWWQNUSA-N 1 1 362.430 3.246 20 5 FGBDMO C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[N@H+](C2CCC2)C1 ZINC000291928428 499104950 /nfs/dbraw/zinc/10/49/50/499104950.db2.gz SLFLTBJMRFFTBV-GFCCVEGCSA-N 1 1 350.394 3.072 20 5 FGBDMO CC(C)c1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)cc1[N+](=O)[O-] ZINC000367471272 499203135 /nfs/dbraw/zinc/20/31/35/499203135.db2.gz OHJOCQLBAQRFGG-NSHGMRRFSA-N 1 1 362.470 3.470 20 5 FGBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C[C@@H]2[C@@H]1c1ccccc1 ZINC000370383176 499215176 /nfs/dbraw/zinc/21/51/76/499215176.db2.gz CDMLSCAJEGXJBC-LJHODMEESA-N 1 1 369.396 3.109 20 5 FGBDMO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCN(c2cccnn2)CC1 ZINC000370434215 499220414 /nfs/dbraw/zinc/22/04/14/499220414.db2.gz PTGSQYJBMRZDNW-UHFFFAOYSA-N 1 1 361.833 3.139 20 5 FGBDMO Cc1c(CC(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2cccs2)cccc1[N+](=O)[O-] ZINC000370816135 499257958 /nfs/dbraw/zinc/25/79/58/499257958.db2.gz JEJMDMOHPQMEOP-BEFAXECRSA-N 1 1 373.478 3.316 20 5 FGBDMO Cc1ncc(C[N@H+]2CC[C@H](NC(=O)c3ccccc3[N+](=O)[O-])[C@@H](C)C2)s1 ZINC000370960482 499275081 /nfs/dbraw/zinc/27/50/81/499275081.db2.gz GNYOIMTUXFNZAF-LRDDRELGSA-N 1 1 374.466 3.000 20 5 FGBDMO Cc1cc(CN2CCC([N@@H+](C)Cc3ccc([N+](=O)[O-])cc3C)CC2)on1 ZINC000368218256 499275238 /nfs/dbraw/zinc/27/52/38/499275238.db2.gz FDGDYZYCFWKUMS-UHFFFAOYSA-N 1 1 358.442 3.296 20 5 FGBDMO CC(C)c1[nH+]ccn1C[C@H]1CCCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000371026135 499281520 /nfs/dbraw/zinc/28/15/20/499281520.db2.gz BWHGFKFEHPUEDJ-CQSZACIVSA-N 1 1 360.389 3.359 20 5 FGBDMO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000368353123 499287959 /nfs/dbraw/zinc/28/79/59/499287959.db2.gz CCLFPXWZNBDSCP-SJORKVTESA-N 1 1 351.834 3.224 20 5 FGBDMO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000368353123 499287960 /nfs/dbraw/zinc/28/79/60/499287960.db2.gz CCLFPXWZNBDSCP-SJORKVTESA-N 1 1 351.834 3.224 20 5 FGBDMO CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000371123604 499290856 /nfs/dbraw/zinc/29/08/56/499290856.db2.gz MUCJQYQRQAGNDQ-ZDUSSCGKSA-N 1 1 362.817 3.312 20 5 FGBDMO Cc1nnc([C@H]2CC23CC[NH+](Cc2nc4cc([N+](=O)[O-])ccc4o2)CC3)o1 ZINC000368543308 499306104 /nfs/dbraw/zinc/30/61/04/499306104.db2.gz LVWISBWXRYLRBY-CYBMUJFWSA-N 1 1 369.381 3.197 20 5 FGBDMO Cc1[nH+]c(CNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])c2n1CCCC2 ZINC000371441152 499326952 /nfs/dbraw/zinc/32/69/52/499326952.db2.gz WRRSOGKSVSZEJF-UHFFFAOYSA-N 1 1 371.441 3.186 20 5 FGBDMO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCCc1cn2c([nH+]1)CCCC2 ZINC000368914651 499346075 /nfs/dbraw/zinc/34/60/75/499346075.db2.gz PTRHHUJQKWGNNM-UHFFFAOYSA-N 1 1 355.320 3.196 20 5 FGBDMO COc1cc(C[N@@H+]2CCC[C@@H](OC)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000371737698 499360394 /nfs/dbraw/zinc/36/03/94/499360394.db2.gz WNXCSAHPHDKIBR-GFCCVEGCSA-N 1 1 360.357 3.206 20 5 FGBDMO CCC(=O)c1ccc(N2CCC[C@H](Cc3[nH+]ccn3C)C2)c([N+](=O)[O-])c1 ZINC000369148130 499370946 /nfs/dbraw/zinc/37/09/46/499370946.db2.gz PZPDQRKUUKZFHL-CQSZACIVSA-N 1 1 356.426 3.380 20 5 FGBDMO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000372022576 499390634 /nfs/dbraw/zinc/39/06/34/499390634.db2.gz XZTDCTGHBRUYOL-ACJLOTCBSA-N 1 1 355.394 3.439 20 5 FGBDMO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000372022576 499390635 /nfs/dbraw/zinc/39/06/35/499390635.db2.gz XZTDCTGHBRUYOL-ACJLOTCBSA-N 1 1 355.394 3.439 20 5 FGBDMO C[N@H+]1CC[C@H](CNC(=O)NCc2ccccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000369543397 499415087 /nfs/dbraw/zinc/41/50/87/499415087.db2.gz GGLYGHLRSDQNKM-RHSMWYFYSA-N 1 1 374.466 3.149 20 5 FGBDMO C[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])s2)[C@H]1c1cccs1 ZINC000369569399 499419576 /nfs/dbraw/zinc/41/95/76/499419576.db2.gz NRXGVFLFUSPCGX-YGRLFVJLSA-N 1 1 351.453 3.141 20 5 FGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)c1 ZINC000372393215 499428539 /nfs/dbraw/zinc/42/85/39/499428539.db2.gz QFVPGUVNSNJXHO-CYBMUJFWSA-N 1 1 354.834 3.266 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](O)c3ccccc3C2)cccc1[N+](=O)[O-] ZINC000373247240 499459678 /nfs/dbraw/zinc/45/96/78/499459678.db2.gz ZFPWCBJYDZEZKC-IFXJQAMLSA-N 1 1 369.421 3.170 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](O)c3ccccc3C2)cccc1[N+](=O)[O-] ZINC000373247240 499459679 /nfs/dbraw/zinc/45/96/79/499459679.db2.gz ZFPWCBJYDZEZKC-IFXJQAMLSA-N 1 1 369.421 3.170 20 5 FGBDMO O=C(NC1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1)c1ccccc1 ZINC000373764017 499486883 /nfs/dbraw/zinc/48/68/83/499486883.db2.gz ZLRJTOGUGMVJLY-UHFFFAOYSA-N 1 1 357.385 3.128 20 5 FGBDMO COCCn1cc2c(n1)[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)CCC2 ZINC000375195333 499494135 /nfs/dbraw/zinc/49/41/35/499494135.db2.gz CQNWABIFRQLZQB-PBHICJAKSA-N 1 1 358.442 3.474 20 5 FGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)cc1 ZINC000375444973 499519924 /nfs/dbraw/zinc/51/99/24/499519924.db2.gz OEEDECNDMCBEJO-AWEZNQCLSA-N 1 1 358.398 3.114 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000389785355 499553064 /nfs/dbraw/zinc/55/30/64/499553064.db2.gz LHYVOFXVHJWTBJ-UGSOOPFHSA-N 1 1 351.410 3.404 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000389785352 499553183 /nfs/dbraw/zinc/55/31/83/499553183.db2.gz LHYVOFXVHJWTBJ-ACJLOTCBSA-N 1 1 351.410 3.404 20 5 FGBDMO C[C@@H](CNc1ccc2cc([N+](=O)[O-])ccc2n1)[N@@H+](C)Cc1ccccc1 ZINC000390598199 499554779 /nfs/dbraw/zinc/55/47/79/499554779.db2.gz YEYDAAHYJLUBKF-HNNXBMFYSA-N 1 1 350.422 3.497 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000397992359 499565691 /nfs/dbraw/zinc/56/56/91/499565691.db2.gz QVKWGNRPDRJFDZ-YOEHRIQHSA-N 1 1 368.437 3.016 20 5 FGBDMO CNc1ccc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000406067256 499571930 /nfs/dbraw/zinc/57/19/30/499571930.db2.gz MBDBHALMFAIPAB-FQEVSTJZSA-N 1 1 368.437 3.031 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000376680582 499628694 /nfs/dbraw/zinc/62/86/94/499628694.db2.gz OMBFIIIOKDPDGK-ICSRJNTNSA-N 1 1 354.454 3.423 20 5 FGBDMO COc1ccc(NC(=O)CC[N@H+]2Cc3ccccc3C[C@H]2C)c([N+](=O)[O-])c1 ZINC000411305144 499724200 /nfs/dbraw/zinc/72/42/00/499724200.db2.gz DPUZSVXLIPSYFD-CQSZACIVSA-N 1 1 369.421 3.379 20 5 FGBDMO C[C@@H]1COC[C@@H](c2ccccc2)[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411425264 499738734 /nfs/dbraw/zinc/73/87/34/499738734.db2.gz MFGWFIWKIRPHNE-BEFAXECRSA-N 1 1 369.421 3.385 20 5 FGBDMO C[C@@H]1COC[C@@H](c2ccccc2)[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411425264 499738736 /nfs/dbraw/zinc/73/87/36/499738736.db2.gz MFGWFIWKIRPHNE-BEFAXECRSA-N 1 1 369.421 3.385 20 5 FGBDMO CC[N@H+](Cc1occc1C)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000414554733 499808222 /nfs/dbraw/zinc/80/82/22/499808222.db2.gz VRUBCRFFJFRCBG-UHFFFAOYSA-N 1 1 362.382 3.070 20 5 FGBDMO CC[N@@H+](Cc1occc1C)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000414554733 499808223 /nfs/dbraw/zinc/80/82/23/499808223.db2.gz VRUBCRFFJFRCBG-UHFFFAOYSA-N 1 1 362.382 3.070 20 5 FGBDMO CC(C)[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@H]1CCC(=O)N1 ZINC000412075308 499820862 /nfs/dbraw/zinc/82/08/62/499820862.db2.gz KBQDLQKRSMXZBT-GFCCVEGCSA-N 1 1 359.348 3.103 20 5 FGBDMO CC(C)Oc1cc(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)ccc1[N+](=O)[O-] ZINC000412286604 499841338 /nfs/dbraw/zinc/84/13/38/499841338.db2.gz DDUDWWSLUDKJTE-INIZCTEOSA-N 1 1 361.442 3.129 20 5 FGBDMO C[C@@H]1C[N@H+](CCCCNc2ccc([N+](=O)[O-])c3ncccc23)C[C@H](C)O1 ZINC000413183673 499923618 /nfs/dbraw/zinc/92/36/18/499923618.db2.gz IHIKXNOZNFXGGU-GASCZTMLSA-N 1 1 358.442 3.444 20 5 FGBDMO O=[N+]([O-])c1cnc(N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(F)c1 ZINC000413282368 499936853 /nfs/dbraw/zinc/93/68/53/499936853.db2.gz PKQSRJMNZVTMNR-IBGZPJMESA-N 1 1 356.401 3.231 20 5 FGBDMO C[C@H]1CN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC[N@H+](C2CCC2)C1 ZINC000413303306 499939417 /nfs/dbraw/zinc/93/94/17/499939417.db2.gz NVAXQMFSAGJBME-LLVKDONJSA-N 1 1 358.364 3.319 20 5 FGBDMO C[C@H](NC(=O)CC[N@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000416240247 499991994 /nfs/dbraw/zinc/99/19/94/499991994.db2.gz MRJFLQIHWCEXIQ-HNNXBMFYSA-N 1 1 353.422 3.220 20 5 FGBDMO CCOc1cccc(CNC(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000429277415 500039622 /nfs/dbraw/zinc/03/96/22/500039622.db2.gz YRIVCOCYXPSSCO-UHFFFAOYSA-N 1 1 371.437 3.135 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H](CSC)C2)c([N+](=O)[O-])c1 ZINC000429296474 500046497 /nfs/dbraw/zinc/04/64/97/500046497.db2.gz XGUNEDSBMGFNMW-ZDUSSCGKSA-N 1 1 367.471 3.007 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H](CSC)C2)c([N+](=O)[O-])c1 ZINC000429296474 500046500 /nfs/dbraw/zinc/04/65/00/500046500.db2.gz XGUNEDSBMGFNMW-ZDUSSCGKSA-N 1 1 367.471 3.007 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000421792504 500152869 /nfs/dbraw/zinc/15/28/69/500152869.db2.gz OZUHVSDEDFCOKI-HKUYNNGSSA-N 1 1 353.422 3.387 20 5 FGBDMO CCOc1cc(OCc2ccc(C[NH+]3CCOCC3)cc2)ccc1[N+](=O)[O-] ZINC000421841345 500162628 /nfs/dbraw/zinc/16/26/28/500162628.db2.gz KHNZVAWLWOCTCA-UHFFFAOYSA-N 1 1 372.421 3.405 20 5 FGBDMO CCC[N@H+](CC(N)=O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000430125570 500196559 /nfs/dbraw/zinc/19/65/59/500196559.db2.gz PARCXEMHFCEZES-UHFFFAOYSA-N 1 1 351.790 3.206 20 5 FGBDMO CCC[N@@H+](CC(N)=O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000430125570 500196560 /nfs/dbraw/zinc/19/65/60/500196560.db2.gz PARCXEMHFCEZES-UHFFFAOYSA-N 1 1 351.790 3.206 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2ccc(C(C)=O)cc2CC1 ZINC000430207833 500208677 /nfs/dbraw/zinc/20/86/77/500208677.db2.gz SCLCCYUGUQZOQX-UHFFFAOYSA-N 1 1 354.406 3.407 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2ccc(C(C)=O)cc2CC1 ZINC000430207833 500208680 /nfs/dbraw/zinc/20/86/80/500208680.db2.gz SCLCCYUGUQZOQX-UHFFFAOYSA-N 1 1 354.406 3.407 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000430204888 500208882 /nfs/dbraw/zinc/20/88/82/500208882.db2.gz MATPVVSYQBRCBE-UHFFFAOYSA-N 1 1 374.412 3.312 20 5 FGBDMO COC(=O)[C@@H](C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)c1ccccc1 ZINC000430212060 500210150 /nfs/dbraw/zinc/21/01/50/500210150.db2.gz ZCKXLRRYRDZNJZ-SCLBCKFNSA-N 1 1 358.394 3.243 20 5 FGBDMO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430217189 500210700 /nfs/dbraw/zinc/21/07/00/500210700.db2.gz IXJQYIPUTCUTLM-UHFFFAOYSA-N 1 1 371.437 3.327 20 5 FGBDMO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430217189 500210703 /nfs/dbraw/zinc/21/07/03/500210703.db2.gz IXJQYIPUTCUTLM-UHFFFAOYSA-N 1 1 371.437 3.327 20 5 FGBDMO CC(C)(c1nc([C@H]2C[N@@H+]3CCC[C@]3(C)CO2)no1)c1ccccc1[N+](=O)[O-] ZINC000426604448 500294155 /nfs/dbraw/zinc/29/41/55/500294155.db2.gz UFXPETPSIRAUNC-DNVCBOLYSA-N 1 1 372.425 3.230 20 5 FGBDMO CC(C)(c1nc([C@H]2C[N@H+]3CCC[C@]3(C)CO2)no1)c1ccccc1[N+](=O)[O-] ZINC000426604448 500294156 /nfs/dbraw/zinc/29/41/56/500294156.db2.gz UFXPETPSIRAUNC-DNVCBOLYSA-N 1 1 372.425 3.230 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H](CCO)CC1 ZINC000421024938 500557976 /nfs/dbraw/zinc/55/79/76/500557976.db2.gz XQCACQLUSIOMGZ-ZIAGYGMSSA-N 1 1 360.414 3.190 20 5 FGBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437200921 500613230 /nfs/dbraw/zinc/61/32/30/500613230.db2.gz VUVNZYUYDCGXFB-NWDGAFQWSA-N 1 1 373.375 3.464 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@H](C)[C@@H]2CO)cc1OC ZINC000442882221 500639387 /nfs/dbraw/zinc/63/93/87/500639387.db2.gz COVADPGIHGACNN-ZQIUZPCESA-N 1 1 366.458 3.231 20 5 FGBDMO CC(=O)Nc1ccc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cn1 ZINC000433202967 500646731 /nfs/dbraw/zinc/64/67/31/500646731.db2.gz VMXIFKJGXWOHRK-UHFFFAOYSA-N 1 1 366.377 3.498 20 5 FGBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000447809849 500667441 /nfs/dbraw/zinc/66/74/41/500667441.db2.gz DFAKFFJAAOWTPW-QGZVFWFLSA-N 1 1 360.458 3.019 20 5 FGBDMO C[C@@H]1OCC[C@@]1(O)C[N@H+](Cc1ccccc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000447922271 500690181 /nfs/dbraw/zinc/69/01/81/500690181.db2.gz ADRZJEKEVUCUSU-MGPUTAFESA-N 1 1 374.412 3.276 20 5 FGBDMO C[C@@H]1OCC[C@@]1(O)C[N@@H+](Cc1ccccc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000447922271 500690183 /nfs/dbraw/zinc/69/01/83/500690183.db2.gz ADRZJEKEVUCUSU-MGPUTAFESA-N 1 1 374.412 3.276 20 5 FGBDMO COc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000437835808 500703424 /nfs/dbraw/zinc/70/34/24/500703424.db2.gz CGSNQANBIKELJD-INIZCTEOSA-N 1 1 361.442 3.130 20 5 FGBDMO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000433918530 500764722 /nfs/dbraw/zinc/76/47/22/500764722.db2.gz KANHGUZOXTYENJ-HNNXBMFYSA-N 1 1 366.849 3.064 20 5 FGBDMO CC[N@@H+](CCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)C(C)C ZINC000444042954 500795615 /nfs/dbraw/zinc/79/56/15/500795615.db2.gz LMCFHMRSPOICQO-UHFFFAOYSA-N 1 1 369.440 3.281 20 5 FGBDMO C[C@H](CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000448705245 500809369 /nfs/dbraw/zinc/80/93/69/500809369.db2.gz SHEBKEVRLKNQCY-VXGBXAGGSA-N 1 1 373.375 3.464 20 5 FGBDMO O=[N+]([O-])c1sc(C[NH2+][C@@H]2c3ccccc3C[C@H]2O)cc1Br ZINC000602566830 506219657 /nfs/dbraw/zinc/21/96/57/506219657.db2.gz BSYMQQASVVNHRW-CHWSQXEVSA-N 1 1 369.240 3.167 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCCN(c4ccccc4)CC3)nc2c1 ZINC000444589188 500862650 /nfs/dbraw/zinc/86/26/50/500862650.db2.gz AJETXIDCSTYUQM-UHFFFAOYSA-N 1 1 351.410 3.183 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCCN(c4ccccc4)CC3)nc2c1 ZINC000444589188 500862652 /nfs/dbraw/zinc/86/26/52/500862652.db2.gz AJETXIDCSTYUQM-UHFFFAOYSA-N 1 1 351.410 3.183 20 5 FGBDMO Cc1cc(C)cc(C[N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000444692156 500880848 /nfs/dbraw/zinc/88/08/48/500880848.db2.gz LDOODGSQHWUZMM-UHFFFAOYSA-N 1 1 353.422 3.233 20 5 FGBDMO Cc1cc(C)cc(C[N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000444692156 500880849 /nfs/dbraw/zinc/88/08/49/500880849.db2.gz LDOODGSQHWUZMM-UHFFFAOYSA-N 1 1 353.422 3.233 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@H](CC(F)(F)F)C3)n2)cc1 ZINC000444699684 500882446 /nfs/dbraw/zinc/88/24/46/500882446.db2.gz FHWJJSDRSUKPEG-SNVBAGLBSA-N 1 1 356.304 3.419 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@H](CC(F)(F)F)C3)n2)cc1 ZINC000444699684 500882450 /nfs/dbraw/zinc/88/24/50/500882450.db2.gz FHWJJSDRSUKPEG-SNVBAGLBSA-N 1 1 356.304 3.419 20 5 FGBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1(CC)CC ZINC000434977740 500918195 /nfs/dbraw/zinc/91/81/95/500918195.db2.gz JNNBKNGILUKZFQ-IAGOWNOFSA-N 1 1 363.458 3.109 20 5 FGBDMO C[N@@H+](CCN1CCOC(C)(C)C1)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000435056930 500928442 /nfs/dbraw/zinc/92/84/42/500928442.db2.gz ACNDGSIUUVZENV-UHFFFAOYSA-N 1 1 373.453 3.397 20 5 FGBDMO O=[N+]([O-])c1cccc2ncnc(NC[C@@H]3CCC[N@H+]3C3CCCCC3)c21 ZINC000435582238 500995463 /nfs/dbraw/zinc/99/54/63/500995463.db2.gz BZKJJDVRPCRXNB-HNNXBMFYSA-N 1 1 355.442 3.169 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000449411665 500997596 /nfs/dbraw/zinc/99/75/96/500997596.db2.gz JWVGAWRGYJKWIB-OCRUZJPSSA-N 1 1 365.433 3.279 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3C[C@H](O)C[C@H]3[C@@H]3CCCOC3)o2)c1 ZINC000449434296 501002097 /nfs/dbraw/zinc/00/20/97/501002097.db2.gz QJJNQXNTDYVSCV-SUMDDJOVSA-N 1 1 372.421 3.217 20 5 FGBDMO CCO[C@@H]1CC[N@@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C[C@H]1C ZINC000449491257 501015833 /nfs/dbraw/zinc/01/58/33/501015833.db2.gz FZRDSJPKNZPYLI-BXUZGUMPSA-N 1 1 374.384 3.452 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]C[C@H]1CCCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000449499207 501018847 /nfs/dbraw/zinc/01/88/47/501018847.db2.gz TTXIKPONQJNOMU-UKRRQHHQSA-N 1 1 350.369 3.443 20 5 FGBDMO Cc1ccc([C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@H](C)S(C)(=O)=O)cc1 ZINC000435892251 501042106 /nfs/dbraw/zinc/04/21/06/501042106.db2.gz FOGHUFQHUXYOJU-KBXCAEBGSA-N 1 1 362.451 3.167 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000446102869 501075251 /nfs/dbraw/zinc/07/52/51/501075251.db2.gz KULJLLSKLNUDLR-DOTOQJQBSA-N 1 1 353.422 3.469 20 5 FGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000436252610 501096665 /nfs/dbraw/zinc/09/66/65/501096665.db2.gz JDRJXMWCQGMLRT-DQLDELGASA-N 1 1 367.449 3.241 20 5 FGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000436252610 501096670 /nfs/dbraw/zinc/09/66/70/501096670.db2.gz JDRJXMWCQGMLRT-DQLDELGASA-N 1 1 367.449 3.241 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000446347363 501108061 /nfs/dbraw/zinc/10/80/61/501108061.db2.gz YJZAIFIHQHUUKF-CQSZACIVSA-N 1 1 351.834 3.303 20 5 FGBDMO COC(=O)Cc1ccc(NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC000450392393 501109874 /nfs/dbraw/zinc/10/98/74/501109874.db2.gz PMVZBDCAUWMLNE-INIZCTEOSA-N 1 1 363.458 3.090 20 5 FGBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCC2(CCC[N@H+]2C)CC1 ZINC000450416305 501116976 /nfs/dbraw/zinc/11/69/76/501116976.db2.gz GREZOBZPCBHLKV-UHFFFAOYSA-N 1 1 356.426 3.216 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCn1c[nH+]c2c1C[C@H](C)[C@H](C)C2 ZINC000451345865 501271491 /nfs/dbraw/zinc/27/14/91/501271491.db2.gz SVDZOQWSHDVGMB-OLZOCXBDSA-N 1 1 356.426 3.499 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451428378 501290926 /nfs/dbraw/zinc/29/09/26/501290926.db2.gz WCYBSVYGQKCLGQ-YYQUZTFQSA-N 1 1 372.425 3.331 20 5 FGBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000457781054 501307996 /nfs/dbraw/zinc/30/79/96/501307996.db2.gz GXERSLMVWHVOEJ-LMMKCTJWSA-N 1 1 372.469 3.111 20 5 FGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](C[C@@H](O)COc3ccccc3F)C2)cc1 ZINC000451550412 501320910 /nfs/dbraw/zinc/32/09/10/501320910.db2.gz ROGDOCPHGITIOX-SJLPKXTDSA-N 1 1 374.412 3.353 20 5 FGBDMO COC(=O)c1c(Cl)c(NC[C@H]2CC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000596091593 506251231 /nfs/dbraw/zinc/25/12/31/506251231.db2.gz AKKLHCKUXGQVMS-LLVKDONJSA-N 1 1 355.822 3.177 20 5 FGBDMO COC(=O)[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccccc1 ZINC000452002412 501416574 /nfs/dbraw/zinc/41/65/74/501416574.db2.gz HMKMTCFHHJIJJU-MOPGFXCFSA-N 1 1 354.406 3.026 20 5 FGBDMO C[C@H](NC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000598971851 506253553 /nfs/dbraw/zinc/25/35/53/506253553.db2.gz GZTJFQFRPPXQIZ-KBXCAEBGSA-N 1 1 360.458 3.362 20 5 FGBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454467150 501552289 /nfs/dbraw/zinc/55/22/89/501552289.db2.gz MZYAEYODHJDVFQ-WBVHZDCISA-N 1 1 362.474 3.214 20 5 FGBDMO C[N@H+]1CCC[C@H](CCNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000459246531 501618419 /nfs/dbraw/zinc/61/84/19/501618419.db2.gz CBEDWFZZJOBXKH-OAHLLOKOSA-N 1 1 360.458 3.001 20 5 FGBDMO C[C@@H](NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C1=CC[N@@H+](C)CC1 ZINC000454777486 501627747 /nfs/dbraw/zinc/62/77/47/501627747.db2.gz QVTHMSGFTYIACT-CRAIPNDOSA-N 1 1 372.469 3.134 20 5 FGBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000456979255 501629221 /nfs/dbraw/zinc/62/92/21/501629221.db2.gz AHNQIVGXBKGSJX-FXAWDEMLSA-N 1 1 367.449 3.337 20 5 FGBDMO C[C@@H](C(=O)N1CC[NH2+][C@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000457028787 501637414 /nfs/dbraw/zinc/63/74/14/501637414.db2.gz QRHDZKCJEPPNRS-ACJLOTCBSA-N 1 1 357.385 3.011 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000457177095 501662293 /nfs/dbraw/zinc/66/22/93/501662293.db2.gz OJRMULIIHQMOSE-ZDUSSCGKSA-N 1 1 351.472 3.066 20 5 FGBDMO CN(CCOc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474211174 501745656 /nfs/dbraw/zinc/74/56/56/501745656.db2.gz NCWYUWSQFHTMRX-GOSISDBHSA-N 1 1 355.438 3.180 20 5 FGBDMO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000474211174 501745660 /nfs/dbraw/zinc/74/56/60/501745660.db2.gz NCWYUWSQFHTMRX-GOSISDBHSA-N 1 1 355.438 3.180 20 5 FGBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000474211174 501745665 /nfs/dbraw/zinc/74/56/65/501745665.db2.gz NCWYUWSQFHTMRX-GOSISDBHSA-N 1 1 355.438 3.180 20 5 FGBDMO COCC[N@@H+](CCc1ccccc1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000463508322 501746035 /nfs/dbraw/zinc/74/60/35/501746035.db2.gz VKCNCKUCDURINS-UHFFFAOYSA-N 1 1 362.401 3.434 20 5 FGBDMO COC(=O)c1cnc(NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000477731790 501771340 /nfs/dbraw/zinc/77/13/40/501771340.db2.gz QOIMTILVLBGBOX-CQSZACIVSA-N 1 1 372.425 3.099 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)C[C@@H]1C ZINC000596135166 506273565 /nfs/dbraw/zinc/27/35/65/506273565.db2.gz DEUCXEJUFOKKDV-NWDGAFQWSA-N 1 1 369.849 3.344 20 5 FGBDMO O=[N+]([O-])c1ccn(CC[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCCC2)n1 ZINC000478037557 501861621 /nfs/dbraw/zinc/86/16/21/501861621.db2.gz RWAPBIGHIKDINV-UHFFFAOYSA-N 1 1 372.425 3.355 20 5 FGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@]3(C2)OCc2ccccc23)c1 ZINC000481721910 501863463 /nfs/dbraw/zinc/86/34/63/501863463.db2.gz YBNRORKHHBAOMK-HXUWFJFHSA-N 1 1 354.406 3.495 20 5 FGBDMO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000464348784 501963006 /nfs/dbraw/zinc/96/30/06/501963006.db2.gz SRESVMXMRZNHFB-KRWDZBQOSA-N 1 1 372.469 3.163 20 5 FGBDMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000461030843 501993925 /nfs/dbraw/zinc/99/39/25/501993925.db2.gz RSZKUZQVIVDRSV-CQSZACIVSA-N 1 1 351.450 3.140 20 5 FGBDMO C[C@@H]1CC[C@@H](C[NH+]2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)O1 ZINC000475050032 502036953 /nfs/dbraw/zinc/03/69/53/502036953.db2.gz UBUQESNQVWUYPW-OCCSQVGLSA-N 1 1 373.375 3.303 20 5 FGBDMO Cc1c(CNC(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)cccc1[N+](=O)[O-] ZINC000599040577 506290020 /nfs/dbraw/zinc/29/00/20/506290020.db2.gz KGAJFGKIMJTJQF-QGZVFWFLSA-N 1 1 360.458 3.109 20 5 FGBDMO CSc1ccc(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000468478809 502073130 /nfs/dbraw/zinc/07/31/30/502073130.db2.gz KPIFWOFXXMZBAZ-OAHLLOKOSA-N 1 1 351.472 3.167 20 5 FGBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000468483643 502076351 /nfs/dbraw/zinc/07/63/51/502076351.db2.gz KTAYACPDLHDIKE-KRWDZBQOSA-N 1 1 360.458 3.019 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475301065 502125671 /nfs/dbraw/zinc/12/56/71/502125671.db2.gz KGHQOCPDWKSWIQ-SFHVURJKSA-N 1 1 353.422 3.250 20 5 FGBDMO CCOc1cc(C[N@H+](C)C[C@H]2COc3ccccc3O2)ccc1[N+](=O)[O-] ZINC000482626803 502130611 /nfs/dbraw/zinc/13/06/11/502130611.db2.gz CGFRAIVMFXLWEB-HNNXBMFYSA-N 1 1 358.394 3.265 20 5 FGBDMO CCOc1cc(C[N@@H+](C)C[C@H]2COc3ccccc3O2)ccc1[N+](=O)[O-] ZINC000482626803 502130616 /nfs/dbraw/zinc/13/06/16/502130616.db2.gz CGFRAIVMFXLWEB-HNNXBMFYSA-N 1 1 358.394 3.265 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1CNc1cc[nH+]cc1Br ZINC000486361683 502133102 /nfs/dbraw/zinc/13/31/02/502133102.db2.gz RYXATTMLTXCVCL-UHFFFAOYSA-N 1 1 352.188 3.185 20 5 FGBDMO COC(=O)[C@@H](C)[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000482678543 502150032 /nfs/dbraw/zinc/15/00/32/502150032.db2.gz MQXPZNTTZPBRSI-SGTLLEGYSA-N 1 1 368.393 3.111 20 5 FGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000602782209 506297184 /nfs/dbraw/zinc/29/71/84/506297184.db2.gz VYBIZPYXHPNZCG-VQIMIIECSA-N 1 1 371.485 3.085 20 5 FGBDMO Cc1ncc([N+](=O)[O-])n1CCN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000602782209 506297188 /nfs/dbraw/zinc/29/71/88/506297188.db2.gz VYBIZPYXHPNZCG-VQIMIIECSA-N 1 1 371.485 3.085 20 5 FGBDMO Cc1ncc([N+](=O)[O-])n1CCN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000602782209 506297192 /nfs/dbraw/zinc/29/71/92/506297192.db2.gz VYBIZPYXHPNZCG-VQIMIIECSA-N 1 1 371.485 3.085 20 5 FGBDMO COc1ccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000471944761 502179867 /nfs/dbraw/zinc/17/98/67/502179867.db2.gz SSNQRZGEKGYCIK-YJBOKZPZSA-N 1 1 370.409 3.170 20 5 FGBDMO CCn1cc(C[N@H+](CCO)Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cn1 ZINC000475514154 502199804 /nfs/dbraw/zinc/19/98/04/502199804.db2.gz WMSWSGSGUUCWEP-UHFFFAOYSA-N 1 1 370.409 3.066 20 5 FGBDMO CCn1cc(C[N@@H+](CCO)Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cn1 ZINC000475514154 502199810 /nfs/dbraw/zinc/19/98/10/502199810.db2.gz WMSWSGSGUUCWEP-UHFFFAOYSA-N 1 1 370.409 3.066 20 5 FGBDMO CC(C)c1ccc(C[NH2+]Cc2ccc(S(C)(=O)=O)s2)cc1[N+](=O)[O-] ZINC000468847613 502204308 /nfs/dbraw/zinc/20/43/08/502204308.db2.gz FRSFTFCEENTSFF-UHFFFAOYSA-N 1 1 368.480 3.473 20 5 FGBDMO Cc1ccncc1C[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000475550851 502210538 /nfs/dbraw/zinc/21/05/38/502210538.db2.gz RYNOVEULGSMTNP-UHFFFAOYSA-N 1 1 351.410 3.331 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+](C)C2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000475558618 502212691 /nfs/dbraw/zinc/21/26/91/502212691.db2.gz HCBSVGVDRBSXHA-UHFFFAOYSA-N 1 1 350.415 3.157 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@H](C)c2cccs2)cc1[N+](=O)[O-] ZINC000475563973 502213713 /nfs/dbraw/zinc/21/37/13/502213713.db2.gz ROUAIKMCRMTBDO-GFCCVEGCSA-N 1 1 364.423 3.401 20 5 FGBDMO CCOCC[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000461951976 502249838 /nfs/dbraw/zinc/24/98/38/502249838.db2.gz ZABOAMMBKNJSAW-UHFFFAOYSA-N 1 1 361.364 3.081 20 5 FGBDMO CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@](C)(C(N)=O)C2)cc1[N+](=O)[O-] ZINC000475674406 502251028 /nfs/dbraw/zinc/25/10/28/502251028.db2.gz PYBRLHCSGZQMRM-FQEVSTJZSA-N 1 1 368.437 3.060 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+](C)Cc2ccc(C)s2)cc1[N+](=O)[O-] ZINC000475691007 502255325 /nfs/dbraw/zinc/25/53/25/502255325.db2.gz CMOOLLXUXMKPPU-UHFFFAOYSA-N 1 1 364.423 3.149 20 5 FGBDMO CCCCC[C@H]1CCC[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000486775890 502257704 /nfs/dbraw/zinc/25/77/04/502257704.db2.gz IVQGSGRAWBKGQM-ZDUSSCGKSA-N 1 1 363.414 3.307 20 5 FGBDMO CCCCC[C@H]1CCC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000486775890 502257708 /nfs/dbraw/zinc/25/77/08/502257708.db2.gz IVQGSGRAWBKGQM-ZDUSSCGKSA-N 1 1 363.414 3.307 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@@H](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000475715932 502261982 /nfs/dbraw/zinc/26/19/82/502261982.db2.gz FOKTZPCUVQLVLP-MRXNPFEDSA-N 1 1 364.442 3.405 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@]4(CCCOC4)C3)n2)c1 ZINC000475740073 502274599 /nfs/dbraw/zinc/27/45/99/502274599.db2.gz PDJXWAYFORXBDA-GOSISDBHSA-N 1 1 358.398 3.037 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@]4(CCCOC4)C3)n2)c1 ZINC000475740073 502274604 /nfs/dbraw/zinc/27/46/04/502274604.db2.gz PDJXWAYFORXBDA-GOSISDBHSA-N 1 1 358.398 3.037 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)C1 ZINC000483183872 502305411 /nfs/dbraw/zinc/30/54/11/502305411.db2.gz PQFHHCJCVDUCDN-GASCZTMLSA-N 1 1 370.453 3.331 20 5 FGBDMO CC(C)c1ccc(C[NH2+]Cc2cccc(N3CCOCC3)n2)cc1[N+](=O)[O-] ZINC000479588998 502308210 /nfs/dbraw/zinc/30/82/10/502308210.db2.gz XXTCTRDWDAGURD-UHFFFAOYSA-N 1 1 370.453 3.240 20 5 FGBDMO C[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccc(F)c(Br)c1 ZINC000602806228 506306145 /nfs/dbraw/zinc/30/61/45/506306145.db2.gz PSOUAHMGGHZTGY-MRVPVSSYSA-N 1 1 357.183 3.081 20 5 FGBDMO CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](COC)Cc1ccccc1 ZINC000472353817 502326762 /nfs/dbraw/zinc/32/67/62/502326762.db2.gz SBTBFFISVRUWIW-KRWDZBQOSA-N 1 1 371.437 3.113 20 5 FGBDMO CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](COC)Cc1ccccc1 ZINC000472353817 502326766 /nfs/dbraw/zinc/32/67/66/502326766.db2.gz SBTBFFISVRUWIW-KRWDZBQOSA-N 1 1 371.437 3.113 20 5 FGBDMO COCC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CC[C@@H](C)C1 ZINC000483408018 502378649 /nfs/dbraw/zinc/37/86/49/502378649.db2.gz OYZVZPIQDBIBOY-CZUORRHYSA-N 1 1 350.415 3.098 20 5 FGBDMO COc1ccccc1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000479955837 502429175 /nfs/dbraw/zinc/42/91/75/502429175.db2.gz GIMLARLJHZVMTO-INIZCTEOSA-N 1 1 369.421 3.249 20 5 FGBDMO COc1ccccc1C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000479955837 502429178 /nfs/dbraw/zinc/42/91/78/502429178.db2.gz GIMLARLJHZVMTO-INIZCTEOSA-N 1 1 369.421 3.249 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000484214644 502600632 /nfs/dbraw/zinc/60/06/32/502600632.db2.gz AGKQIOCASDKGGE-GASCZTMLSA-N 1 1 370.453 3.331 20 5 FGBDMO O=[N+]([O-])c1ccccc1/C=C/CNc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000462877102 502611110 /nfs/dbraw/zinc/61/11/10/502611110.db2.gz MMDJANPGYULWGF-ZLHKHBAESA-N 1 1 353.422 3.287 20 5 FGBDMO O=[N+]([O-])c1cnc2ccccc2c1Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000488050172 502612563 /nfs/dbraw/zinc/61/25/63/502612563.db2.gz NULVVDQGRPMOLF-UHFFFAOYSA-N 1 1 364.405 3.141 20 5 FGBDMO Cc1cc(N[C@H]2CCn3cc[nH+]c3C2)c(Br)cc1[N+](=O)[O-] ZINC000473512357 502618199 /nfs/dbraw/zinc/61/81/99/502618199.db2.gz HKBSQJIFUZIFGY-JTQLQIEISA-N 1 1 351.204 3.289 20 5 FGBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000480672740 502638105 /nfs/dbraw/zinc/63/81/05/502638105.db2.gz ZXLXVDBQBUIOCI-CVEARBPZSA-N 1 1 362.474 3.166 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@@H](c4cccnc4)C3)o2)cc1 ZINC000602853586 506326913 /nfs/dbraw/zinc/32/69/13/506326913.db2.gz IOISPNSSRYKHTC-MRXNPFEDSA-N 1 1 365.393 3.419 20 5 FGBDMO CN(C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000470128600 502670466 /nfs/dbraw/zinc/67/04/66/502670466.db2.gz NRBLAZVZIZOQFA-KRWDZBQOSA-N 1 1 372.400 3.472 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470137091 502674164 /nfs/dbraw/zinc/67/41/64/502674164.db2.gz REFRGVZVWVZEGO-ACJLOTCBSA-N 1 1 372.400 3.376 20 5 FGBDMO C[C@@H](CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000470139269 502674852 /nfs/dbraw/zinc/67/48/52/502674852.db2.gz ZYQPINPEBYIKHC-ZDUSSCGKSA-N 1 1 360.389 3.376 20 5 FGBDMO CC(C)(C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000470179405 502697674 /nfs/dbraw/zinc/69/76/74/502697674.db2.gz XENVIERMLPYEAO-HNNXBMFYSA-N 1 1 363.433 3.145 20 5 FGBDMO COCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CC[C@@H](C)C1 ZINC000484856843 502756307 /nfs/dbraw/zinc/75/63/07/502756307.db2.gz JPUHVWHBTRPMCL-GDBMZVCRSA-N 1 1 363.458 3.369 20 5 FGBDMO COc1cc(C[N@@H+](C)CC[C@H]2CCCO2)c([N+](=O)[O-])cc1OC(F)F ZINC000467134270 502799142 /nfs/dbraw/zinc/79/91/42/502799142.db2.gz UQASRYYRFJNBPN-GFCCVEGCSA-N 1 1 360.357 3.206 20 5 FGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000602888814 506338872 /nfs/dbraw/zinc/33/88/72/506338872.db2.gz RRMOLRLYBAQWAC-INIZCTEOSA-N 1 1 364.405 3.406 20 5 FGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)cc1 ZINC000489049859 502867928 /nfs/dbraw/zinc/86/79/28/502867928.db2.gz YIPHRCIGIRIUAJ-MRXNPFEDSA-N 1 1 361.373 3.051 20 5 FGBDMO Cc1cc(N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489199225 502899707 /nfs/dbraw/zinc/89/97/07/502899707.db2.gz SCDBZGOMPKMKBD-HOCLYGCPSA-N 1 1 369.469 3.314 20 5 FGBDMO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000489209194 502901321 /nfs/dbraw/zinc/90/13/21/502901321.db2.gz XKOJOAOAPPLRRR-UHFFFAOYSA-N 1 1 371.437 3.327 20 5 FGBDMO Cc1c(NC(=O)CC[N@@H+]2CCOc3ccc(F)cc3C2)cccc1[N+](=O)[O-] ZINC000489218415 502904067 /nfs/dbraw/zinc/90/40/67/502904067.db2.gz MUWKZRKRWLEKQT-UHFFFAOYSA-N 1 1 373.384 3.266 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CCOc3ccc(F)cc3C2)cccc1[N+](=O)[O-] ZINC000489218415 502904068 /nfs/dbraw/zinc/90/40/68/502904068.db2.gz MUWKZRKRWLEKQT-UHFFFAOYSA-N 1 1 373.384 3.266 20 5 FGBDMO C[C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000582642824 506341598 /nfs/dbraw/zinc/34/15/98/506341598.db2.gz ZRPMACJSWYCNCD-MRXNPFEDSA-N 1 1 353.422 3.043 20 5 FGBDMO CSc1ccc(C(=O)N[C@@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000497400934 502949939 /nfs/dbraw/zinc/94/99/39/502949939.db2.gz KFIVDYAFIYIJOX-HZPDHXFCSA-N 1 1 371.462 3.144 20 5 FGBDMO C[N@H+]1C[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000497413260 502952594 /nfs/dbraw/zinc/95/25/94/502952594.db2.gz APDZCNDJZXOXQS-SJORKVTESA-N 1 1 359.813 3.076 20 5 FGBDMO COc1cc(C[N@H+]2CCc3cccc(OC)c3CC2)c([N+](=O)[O-])cc1F ZINC000489528443 502980016 /nfs/dbraw/zinc/98/00/16/502980016.db2.gz HRBNTHFEXFOEKN-UHFFFAOYSA-N 1 1 360.385 3.352 20 5 FGBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000505906520 503010874 /nfs/dbraw/zinc/01/08/74/503010874.db2.gz OTWVYNBDNAXKSU-GJZGRUSLSA-N 1 1 363.433 3.461 20 5 FGBDMO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506193608 503067065 /nfs/dbraw/zinc/06/70/65/503067065.db2.gz VHCDJJVVUDIVDN-UHFFFAOYSA-N 1 1 355.394 3.191 20 5 FGBDMO C[C@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000506260169 503080193 /nfs/dbraw/zinc/08/01/93/503080193.db2.gz PHPXURVRJWUMBS-KFWWJZLASA-N 1 1 365.499 3.312 20 5 FGBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593036389 506352069 /nfs/dbraw/zinc/35/20/69/506352069.db2.gz DSVQJDOPIFGUOF-KSSFIOAISA-N 1 1 371.412 3.228 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000510733135 503180677 /nfs/dbraw/zinc/18/06/77/503180677.db2.gz KYKHYTZITBJBOY-HNNXBMFYSA-N 1 1 353.422 3.080 20 5 FGBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1C ZINC000498572645 503216215 /nfs/dbraw/zinc/21/62/15/503216215.db2.gz QAIGCEMAZZOHAM-STQMWFEESA-N 1 1 374.466 3.273 20 5 FGBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)N1CCSc2ccccc21 ZINC000511057815 503244240 /nfs/dbraw/zinc/24/42/40/503244240.db2.gz BSTDGOXALMDKQZ-UHFFFAOYSA-N 1 1 371.462 3.208 20 5 FGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)N1CCSc2ccccc21 ZINC000511057815 503244242 /nfs/dbraw/zinc/24/42/42/503244242.db2.gz BSTDGOXALMDKQZ-UHFFFAOYSA-N 1 1 371.462 3.208 20 5 FGBDMO O=[N+]([O-])c1ccn(CC[N@H+](Cc2ccc(F)cc2Cl)CC2CC2)n1 ZINC000511088794 503251275 /nfs/dbraw/zinc/25/12/75/503251275.db2.gz CPUGGMGPYUEVGD-UHFFFAOYSA-N 1 1 352.797 3.496 20 5 FGBDMO C[C@]1(O)CCOC[C@H]1[C@H]1CCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000498759453 503258167 /nfs/dbraw/zinc/25/81/67/503258167.db2.gz VUSJYFHSHPQOBK-XKQJLSEDSA-N 1 1 354.834 3.000 20 5 FGBDMO CCCC[N@@H+](C)CCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000491052557 503266169 /nfs/dbraw/zinc/26/61/69/503266169.db2.gz MFYWAPKWAAWOPK-UHFFFAOYSA-N 1 1 350.463 3.247 20 5 FGBDMO CCc1cc(N2CC[N@@H+](C)CC[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000498939844 503299988 /nfs/dbraw/zinc/29/99/88/503299988.db2.gz PLOCVUAXTAANRJ-AWEZNQCLSA-N 1 1 355.442 3.145 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc2ccccc2n(C)c1=O ZINC000491487640 503312520 /nfs/dbraw/zinc/31/25/20/503312520.db2.gz SCEXJKIPCJCGPQ-UHFFFAOYSA-N 1 1 367.405 3.135 20 5 FGBDMO CCOc1cc(C[N@@H+]2CCCC[C@H]2[C@@H](O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000492582188 503375909 /nfs/dbraw/zinc/37/59/09/503375909.db2.gz KGMFMRJIWSTSAF-DZGCQCFKSA-N 1 1 362.348 3.271 20 5 FGBDMO CCOc1cc(C[N@H+]2CCCC[C@H]2[C@@H](O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000492582188 503375912 /nfs/dbraw/zinc/37/59/12/503375912.db2.gz KGMFMRJIWSTSAF-DZGCQCFKSA-N 1 1 362.348 3.271 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000493281962 503418486 /nfs/dbraw/zinc/41/84/86/503418486.db2.gz RNKIBUDSEGJDQP-ZOBUZTSGSA-N 1 1 362.474 3.478 20 5 FGBDMO O=[N+]([O-])c1cc(CN2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)cs1 ZINC000593068461 506371462 /nfs/dbraw/zinc/37/14/62/506371462.db2.gz OMYFOWOYHQJHDR-MSOLQXFVSA-N 1 1 373.478 3.132 20 5 FGBDMO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@H]1CCCN(c2cccnn2)C1 ZINC000493891341 503453633 /nfs/dbraw/zinc/45/36/33/503453633.db2.gz MAWDKQNNNHWMBC-ZDUSSCGKSA-N 1 1 361.833 3.139 20 5 FGBDMO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@H]1CCCN(c2cccnn2)C1 ZINC000493891341 503453635 /nfs/dbraw/zinc/45/36/35/503453635.db2.gz MAWDKQNNNHWMBC-ZDUSSCGKSA-N 1 1 361.833 3.139 20 5 FGBDMO O=[N+]([O-])c1ccc(CN2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000593069765 506372793 /nfs/dbraw/zinc/37/27/93/506372793.db2.gz UNLYIPKWWRODOP-SFTDATJTSA-N 1 1 367.449 3.070 20 5 FGBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000499738448 503471108 /nfs/dbraw/zinc/47/11/08/503471108.db2.gz FBQIEWSMYJSLLM-ZDUSSCGKSA-N 1 1 351.472 3.311 20 5 FGBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000508312027 503472276 /nfs/dbraw/zinc/47/22/76/503472276.db2.gz AORJSBZNUGCLEA-ILXRZTDVSA-N 1 1 365.499 3.312 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000512369067 503529843 /nfs/dbraw/zinc/52/98/43/503529843.db2.gz UGDWQSUIBGEQON-IBGZPJMESA-N 1 1 356.422 3.475 20 5 FGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000512369073 503530110 /nfs/dbraw/zinc/53/01/10/503530110.db2.gz UISJXUPSTWYSBZ-GOSISDBHSA-N 1 1 356.422 3.346 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCCC[C@H]1C[C@@H](C)O ZINC000512473949 503564291 /nfs/dbraw/zinc/56/42/91/503564291.db2.gz HFLYXORMXIHZLV-CVEARBPZSA-N 1 1 363.458 3.247 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000494705463 503596793 /nfs/dbraw/zinc/59/67/93/503596793.db2.gz WRMDAJVSURUEDD-QGZVFWFLSA-N 1 1 361.442 3.123 20 5 FGBDMO C[C@@H]1C[N@H+](CCCNc2ccc([N+](=O)[O-])cc2OC(F)F)C[C@H](C)O1 ZINC000509029930 503624689 /nfs/dbraw/zinc/62/46/89/503624689.db2.gz GPBRVMYWRIZSEX-TXEJJXNPSA-N 1 1 359.373 3.107 20 5 FGBDMO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000500479072 503633164 /nfs/dbraw/zinc/63/31/64/503633164.db2.gz NEZGTFWUNZHRKX-XJKSGUPXSA-N 1 1 373.457 3.102 20 5 FGBDMO Cc1ccnc([C@@H]2CC[N@H+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)c1 ZINC000516979726 503636998 /nfs/dbraw/zinc/63/69/98/503636998.db2.gz QCIYXYSGDGMSTP-OAHLLOKOSA-N 1 1 354.410 3.035 20 5 FGBDMO Cc1ccnc([C@@H]2CC[N@@H+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)c1 ZINC000516979726 503636999 /nfs/dbraw/zinc/63/69/99/503636999.db2.gz QCIYXYSGDGMSTP-OAHLLOKOSA-N 1 1 354.410 3.035 20 5 FGBDMO COc1ccc(OCC[N@@H+](Cc2ccccc2)CC(C)(C)O)c([N+](=O)[O-])c1 ZINC000540520379 503803188 /nfs/dbraw/zinc/80/31/88/503803188.db2.gz PKGJHSXCTIGNAJ-UHFFFAOYSA-N 1 1 374.437 3.255 20 5 FGBDMO C[N@@H+](CCc1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1)C1CC1 ZINC000537128879 503811422 /nfs/dbraw/zinc/81/14/22/503811422.db2.gz XNNPTNIKWMXHAA-UHFFFAOYSA-N 1 1 353.422 3.413 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000533364181 503818453 /nfs/dbraw/zinc/81/84/53/503818453.db2.gz HDZYIWUDSOAMCF-MRXNPFEDSA-N 1 1 354.410 3.028 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000533364181 503818458 /nfs/dbraw/zinc/81/84/58/503818458.db2.gz HDZYIWUDSOAMCF-MRXNPFEDSA-N 1 1 354.410 3.028 20 5 FGBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000540788213 503893290 /nfs/dbraw/zinc/89/32/90/503893290.db2.gz BCQBRWJBMTXZIZ-UHFFFAOYSA-N 1 1 351.472 3.265 20 5 FGBDMO Cn1cc(CNc2ccc3c(c2)[nH+]cn3C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000537507029 503936730 /nfs/dbraw/zinc/93/67/30/503936730.db2.gz PVZQBISEDYYOSZ-UHFFFAOYSA-N 1 1 362.393 3.494 20 5 FGBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000518297125 503946228 /nfs/dbraw/zinc/94/62/28/503946228.db2.gz IMQMMCFIVODZSF-IBGZPJMESA-N 1 1 374.485 3.439 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000533835122 503965604 /nfs/dbraw/zinc/96/56/04/503965604.db2.gz QXOSYXHKDCVKNL-UHFFFAOYSA-N 1 1 357.332 3.426 20 5 FGBDMO CCC[N@H+](Cc1ccc(F)cc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000544061088 503990984 /nfs/dbraw/zinc/99/09/84/503990984.db2.gz FLFNYSAGBADMGM-KRWDZBQOSA-N 1 1 362.401 3.386 20 5 FGBDMO CC1CCC([N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000544069566 503995338 /nfs/dbraw/zinc/99/53/38/503995338.db2.gz FBXNMFZWNTXNJE-UHFFFAOYSA-N 1 1 366.483 3.412 20 5 FGBDMO CC1CCC([N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000544069566 503995343 /nfs/dbraw/zinc/99/53/43/503995343.db2.gz FBXNMFZWNTXNJE-UHFFFAOYSA-N 1 1 366.483 3.412 20 5 FGBDMO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000544116454 504013269 /nfs/dbraw/zinc/01/32/69/504013269.db2.gz GZNKWDDOQICKAM-UGSOOPFHSA-N 1 1 369.421 3.285 20 5 FGBDMO CCc1cc(N2CC[N@@H+](C)[C@H](C)[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000537823961 504055011 /nfs/dbraw/zinc/05/50/11/504055011.db2.gz WQZMPTPAGUARSN-KGLIPLIRSA-N 1 1 355.442 3.143 20 5 FGBDMO C[C@]12CCC[N@@H+]1C[C@H](c1noc(/C=C\c3cccc([N+](=O)[O-])c3)n1)OC2 ZINC000518835177 504074543 /nfs/dbraw/zinc/07/45/43/504074543.db2.gz GEROAKDEGJYPDT-QNRLHKFMSA-N 1 1 356.382 3.074 20 5 FGBDMO C[C@]12CCC[N@H+]1C[C@H](c1noc(/C=C\c3cccc([N+](=O)[O-])c3)n1)OC2 ZINC000518835177 504074551 /nfs/dbraw/zinc/07/45/51/504074551.db2.gz GEROAKDEGJYPDT-QNRLHKFMSA-N 1 1 356.382 3.074 20 5 FGBDMO O=[N+]([O-])c1c(N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)ccc2ncccc21 ZINC000534270804 504091353 /nfs/dbraw/zinc/09/13/53/504091353.db2.gz CZFPODLLYDCROF-WMZOPIPTSA-N 1 1 356.426 3.198 20 5 FGBDMO Cc1ccc(NC(=O)NC(=O)C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000538280435 504186091 /nfs/dbraw/zinc/18/60/91/504186091.db2.gz ULYBMHILRAKUCB-CQSZACIVSA-N 1 1 370.409 3.211 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccccc1 ZINC000544623701 504195405 /nfs/dbraw/zinc/19/54/05/504195405.db2.gz BKHBACRKOCZFSH-SJORKVTESA-N 1 1 358.373 3.301 20 5 FGBDMO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000547799463 504229636 /nfs/dbraw/zinc/22/96/36/504229636.db2.gz KWUPPNKFPZEUGF-ZDUSSCGKSA-N 1 1 351.472 3.263 20 5 FGBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCn1cc[nH+]c1C ZINC000538586093 504292938 /nfs/dbraw/zinc/29/29/38/504292938.db2.gz XLMOFMREXBMHOA-UHFFFAOYSA-N 1 1 362.455 3.422 20 5 FGBDMO COc1ccc(OCC[N@@H+]2Cc3ccccc3OC[C@H]2C)c([N+](=O)[O-])c1 ZINC000542015021 504336350 /nfs/dbraw/zinc/33/63/50/504336350.db2.gz CMSKQTSYOTXRRD-CQSZACIVSA-N 1 1 358.394 3.265 20 5 FGBDMO COc1ccc(OCC[N@H+]2Cc3ccccc3OC[C@H]2C)c([N+](=O)[O-])c1 ZINC000542015021 504336353 /nfs/dbraw/zinc/33/63/53/504336353.db2.gz CMSKQTSYOTXRRD-CQSZACIVSA-N 1 1 358.394 3.265 20 5 FGBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000519940732 504388501 /nfs/dbraw/zinc/38/85/01/504388501.db2.gz VKDKCMZNQCAQOX-UHFFFAOYSA-N 1 1 372.425 3.377 20 5 FGBDMO CC[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000520231595 504441986 /nfs/dbraw/zinc/44/19/86/504441986.db2.gz OFVVCZIRAVJLDE-GOSISDBHSA-N 1 1 371.412 3.301 20 5 FGBDMO CC(=O)NC1CCC([N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000542463652 504500830 /nfs/dbraw/zinc/50/08/30/504500830.db2.gz GLOXZQDXQNLONX-UHFFFAOYSA-N 1 1 371.384 3.075 20 5 FGBDMO CCc1ccc([C@@H]([NH2+]CCN2CCO[C@H](C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542473792 504504294 /nfs/dbraw/zinc/50/42/94/504504294.db2.gz OCBQUDSAPJBQRE-QRWLVFNGSA-N 1 1 373.453 3.150 20 5 FGBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000548689748 504529756 /nfs/dbraw/zinc/52/97/56/504529756.db2.gz CQEAYOQHNGDQPG-HNNXBMFYSA-N 1 1 363.461 3.141 20 5 FGBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000548922870 504621468 /nfs/dbraw/zinc/62/14/68/504621468.db2.gz SDHLDLAKDHWBKB-QGZVFWFLSA-N 1 1 359.470 3.250 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2C[C@H](O)[C@@H](CC)C2)cc1OC ZINC000542915836 504656207 /nfs/dbraw/zinc/65/62/07/504656207.db2.gz UCVGLWNABCNIOQ-ZQIUZPCESA-N 1 1 366.458 3.231 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2C[C@H](O)[C@H](CC)C2)cc1OC ZINC000542915834 504656842 /nfs/dbraw/zinc/65/68/42/504656842.db2.gz UCVGLWNABCNIOQ-VBQJREDUSA-N 1 1 366.458 3.231 20 5 FGBDMO CCOCC[NH+]1CCN(c2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000549122304 504694048 /nfs/dbraw/zinc/69/40/48/504694048.db2.gz UPIAFJSHSWSSCL-UHFFFAOYSA-N 1 1 361.364 3.081 20 5 FGBDMO COc1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000536348290 504706109 /nfs/dbraw/zinc/70/61/09/504706109.db2.gz FYTSEXSMCZQNFH-AWEZNQCLSA-N 1 1 369.421 3.031 20 5 FGBDMO COc1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000536348290 504706115 /nfs/dbraw/zinc/70/61/15/504706115.db2.gz FYTSEXSMCZQNFH-AWEZNQCLSA-N 1 1 369.421 3.031 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@H]4CCOC4)C3)co2)cc1 ZINC000536352717 504706838 /nfs/dbraw/zinc/70/68/38/504706838.db2.gz DHJFETGRUAHZEJ-HOTGVXAUSA-N 1 1 357.410 3.498 20 5 FGBDMO CC(C)c1ccc(CN2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1[N+](=O)[O-] ZINC000539862170 504721041 /nfs/dbraw/zinc/72/10/41/504721041.db2.gz GCQHNWSMVMZBJI-LJQANCHMSA-N 1 1 374.529 3.319 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)c1 ZINC000532655246 504726333 /nfs/dbraw/zinc/72/63/33/504726333.db2.gz UVTLSTUAMICRHL-NQIIRXRSSA-N 1 1 368.433 3.486 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000536510556 504751574 /nfs/dbraw/zinc/75/15/74/504751574.db2.gz RZCRNLJAWPZPTP-AWEZNQCLSA-N 1 1 358.442 3.174 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)n1 ZINC000553001809 504802613 /nfs/dbraw/zinc/80/26/13/504802613.db2.gz SLCGLOPLEJSRJI-DZGCQCFKSA-N 1 1 370.409 3.024 20 5 FGBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH+]2CCC(O[C@H]3CCOC3)CC2)c1 ZINC000549466623 504830006 /nfs/dbraw/zinc/83/00/06/504830006.db2.gz WDEHSCCLWWJSAI-HNNXBMFYSA-N 1 1 374.359 3.384 20 5 FGBDMO CCc1ccccc1CC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000559450768 504866845 /nfs/dbraw/zinc/86/68/45/504866845.db2.gz UISSBCSHBNJXEO-UHFFFAOYSA-N 1 1 367.449 3.158 20 5 FGBDMO C[C@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000565439161 504887087 /nfs/dbraw/zinc/88/70/87/504887087.db2.gz DXJXLWZXZRZFEU-JTQLQIEISA-N 1 1 362.257 3.183 20 5 FGBDMO C[C@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000565439161 504887089 /nfs/dbraw/zinc/88/70/89/504887089.db2.gz DXJXLWZXZRZFEU-JTQLQIEISA-N 1 1 362.257 3.183 20 5 FGBDMO Cc1cc(NCCN2CC[N@H+](C)C(C)(C)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000565671479 504954269 /nfs/dbraw/zinc/95/42/69/504954269.db2.gz ODHZPXPWGPBCOC-UHFFFAOYSA-N 1 1 374.407 3.360 20 5 FGBDMO COc1cc(N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000553687139 504982912 /nfs/dbraw/zinc/98/29/12/504982912.db2.gz PVDYKMSITWGDCX-OAHLLOKOSA-N 1 1 359.401 3.106 20 5 FGBDMO C[N@H+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000560285700 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DBZQYYKTVVDMIX-UHFFFAOYSA-N 1 1 363.458 3.378 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000589272800 506504523 /nfs/dbraw/zinc/50/45/23/506504523.db2.gz YWVHDKFTWFBHRM-FUHWJXTLSA-N 1 1 361.442 3.121 20 5 FGBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000603458522 506519767 /nfs/dbraw/zinc/51/97/67/506519767.db2.gz OGSYXLHIEFCHBV-RDJZCZTQSA-N 1 1 374.485 3.045 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000596676674 506526496 /nfs/dbraw/zinc/52/64/96/506526496.db2.gz AMEQVKUJZASYBG-HNNXBMFYSA-N 1 1 360.458 3.142 20 5 FGBDMO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]2CCC[C@H]21 ZINC000599657433 506558082 /nfs/dbraw/zinc/55/80/82/506558082.db2.gz KSKUWSNFGCRMBW-RRFJBIMHSA-N 1 1 352.818 3.412 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]2CCC[C@H]21 ZINC000599657433 506558091 /nfs/dbraw/zinc/55/80/91/506558091.db2.gz KSKUWSNFGCRMBW-RRFJBIMHSA-N 1 1 352.818 3.412 20 5 FGBDMO COCC[N@@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])[C@H]1CC[C@H](C)C1 ZINC000589512906 506573919 /nfs/dbraw/zinc/57/39/19/506573919.db2.gz PNUVMWOFYSMJDG-BBRMVZONSA-N 1 1 350.415 3.018 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000596843750 506631958 /nfs/dbraw/zinc/63/19/58/506631958.db2.gz TVNKGWIGELDIRN-KRWDZBQOSA-N 1 1 354.410 3.299 20 5 FGBDMO CC(C)C[C@H](CNc1ccc2ncccc2c1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000603845763 506632510 /nfs/dbraw/zinc/63/25/10/506632510.db2.gz LQCQRWVEHGIYNM-OAHLLOKOSA-N 1 1 358.442 3.302 20 5 FGBDMO COc1ccc(C[N@@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000603865332 506641711 /nfs/dbraw/zinc/64/17/11/506641711.db2.gz YQIMRTGNXFNMDE-CALCHBBNSA-N 1 1 353.422 3.172 20 5 FGBDMO CCC[N@H+](Cc1ccccc1F)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000603925916 506660018 /nfs/dbraw/zinc/66/00/18/506660018.db2.gz PZDQLUUWCBNIME-QGZVFWFLSA-N 1 1 362.401 3.386 20 5 FGBDMO O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N1CCC(c2cnc[nH]2)CC1 ZINC000599832254 506664940 /nfs/dbraw/zinc/66/49/40/506664940.db2.gz UCHZFINRLMDTGA-UHFFFAOYSA-N 1 1 366.381 3.278 20 5 FGBDMO CC(C)C[N@@H+](C)CCCNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599834068 506667323 /nfs/dbraw/zinc/66/73/23/506667323.db2.gz FBYDFSDCYQUKQH-UHFFFAOYSA-N 1 1 359.430 3.242 20 5 FGBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@H]1COc2ccccc2O1 ZINC000604012607 506685318 /nfs/dbraw/zinc/68/53/18/506685318.db2.gz WEELUWQOUXPPRV-KRWDZBQOSA-N 1 1 358.394 3.136 20 5 FGBDMO C[NH+](C)[C@H](C(=O)NCCc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000583388995 506753172 /nfs/dbraw/zinc/75/31/72/506753172.db2.gz SXEAEUMYKUPTCO-KRWDZBQOSA-N 1 1 361.829 3.210 20 5 FGBDMO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000590182996 506760253 /nfs/dbraw/zinc/76/02/53/506760253.db2.gz GOIBDRYJHCNROF-ZDUSSCGKSA-N 1 1 373.375 3.352 20 5 FGBDMO CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000590182996 506760276 /nfs/dbraw/zinc/76/02/76/506760276.db2.gz GOIBDRYJHCNROF-ZDUSSCGKSA-N 1 1 373.375 3.352 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CCCF)CC1 ZINC000600076529 506767009 /nfs/dbraw/zinc/76/70/09/506767009.db2.gz NYXRXQLNZAQJLZ-UHFFFAOYSA-N 1 1 369.462 3.213 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000583529237 506829291 /nfs/dbraw/zinc/82/92/91/506829291.db2.gz CVAQDIUPYLUFKM-CQSZACIVSA-N 1 1 372.425 3.245 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000597227467 506848357 /nfs/dbraw/zinc/84/83/57/506848357.db2.gz DOHRBAQXIQRKHK-MRXNPFEDSA-N 1 1 358.394 3.265 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000597227467 506848364 /nfs/dbraw/zinc/84/83/64/506848364.db2.gz DOHRBAQXIQRKHK-MRXNPFEDSA-N 1 1 358.394 3.265 20 5 FGBDMO CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[N@@H+]1Cc1ccccc1 ZINC000600253267 506875385 /nfs/dbraw/zinc/87/53/85/506875385.db2.gz SJYJQCWUCJKWLI-INIZCTEOSA-N 1 1 357.410 3.170 20 5 FGBDMO CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[N@H+]1Cc1ccccc1 ZINC000600253267 506875393 /nfs/dbraw/zinc/87/53/93/506875393.db2.gz SJYJQCWUCJKWLI-INIZCTEOSA-N 1 1 357.410 3.170 20 5 FGBDMO COc1ccc(OCC[N@H+]2CCC[C@@H](OC3CCC3)C2)c([N+](=O)[O-])c1 ZINC000594027632 506892530 /nfs/dbraw/zinc/89/25/30/506892530.db2.gz XTNLYMWRQIFDOL-MRXNPFEDSA-N 1 1 350.415 3.016 20 5 FGBDMO CC(C)NC(=O)c1ccc(N2CCC[N@H+](C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC000609560707 506922632 /nfs/dbraw/zinc/92/26/32/506922632.db2.gz XSZTYXUWAZOIFM-UHFFFAOYSA-N 1 1 362.474 3.044 20 5 FGBDMO Cc1ccc([C@@H]2CCC[N@@H+]2[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)o1 ZINC000609706026 506978292 /nfs/dbraw/zinc/97/82/92/506978292.db2.gz MJRDVMOLLXJDBT-DLBZAZTESA-N 1 1 355.394 3.439 20 5 FGBDMO Cc1ccc([C@@H]2CCC[N@H+]2[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)o1 ZINC000609706026 506978297 /nfs/dbraw/zinc/97/82/97/506978297.db2.gz MJRDVMOLLXJDBT-DLBZAZTESA-N 1 1 355.394 3.439 20 5 FGBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000609783867 506999054 /nfs/dbraw/zinc/99/90/54/506999054.db2.gz ROWKDBYGTTZNAN-MRXNPFEDSA-N 1 1 373.840 3.181 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000597669410 507055221 /nfs/dbraw/zinc/05/52/21/507055221.db2.gz SQWRPEAOTZNPPT-QGZVFWFLSA-N 1 1 368.437 3.457 20 5 FGBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cn2C)CC[N@H+]1Cc1ccccc1 ZINC000609977962 507059609 /nfs/dbraw/zinc/05/96/09/507059609.db2.gz KLBWJUDDVZDNDF-WBVHZDCISA-N 1 1 370.453 3.058 20 5 FGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)cc1 ZINC000610002320 507068022 /nfs/dbraw/zinc/06/80/22/507068022.db2.gz YFUUKONARSVEHZ-OAHLLOKOSA-N 1 1 362.348 3.407 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000597711517 507069682 /nfs/dbraw/zinc/06/96/82/507069682.db2.gz UIDDNSBXWXBFQT-GOSISDBHSA-N 1 1 363.483 3.265 20 5 FGBDMO C[C@H](NCC1([NH3+])CCOCC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000600712762 507077136 /nfs/dbraw/zinc/07/71/36/507077136.db2.gz XXQORSFNAPBIFG-ZDUSSCGKSA-N 1 1 361.467 3.482 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000597859878 507137989 /nfs/dbraw/zinc/13/79/89/507137989.db2.gz HPXWXSWJYGCNTN-OAHLLOKOSA-N 1 1 368.437 3.259 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597861848 507138865 /nfs/dbraw/zinc/13/88/65/507138865.db2.gz XEVDNLCZVNALGB-IAGOWNOFSA-N 1 1 361.486 3.400 20 5 FGBDMO COc1c(-c2nc(CCCCn3c[nH+]c(C)c3C)no2)cccc1[N+](=O)[O-] ZINC000594534236 507175221 /nfs/dbraw/zinc/17/52/21/507175221.db2.gz JQSNIOPBUODDNM-UHFFFAOYSA-N 1 1 371.397 3.490 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597925468 507178003 /nfs/dbraw/zinc/17/80/03/507178003.db2.gz PXRJYXXYIGDVFK-QWHCGFSZSA-N 1 1 351.472 3.064 20 5 FGBDMO CCOC(=O)Cc1ccc(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000594599988 507203969 /nfs/dbraw/zinc/20/39/69/507203969.db2.gz KXCLUNSVHRQIBR-NVXWUHKLSA-N 1 1 361.442 3.129 20 5 FGBDMO C[N@@H+](Cc1ccc2nc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)sc2c1)C1CC1 ZINC000598029330 507226157 /nfs/dbraw/zinc/22/61/57/507226157.db2.gz RHABBJDABHJZAG-UHFFFAOYSA-N 1 1 371.422 3.379 20 5 FGBDMO Cc1nsc(N2CCCN(c3cc[nH+]c4ccc([N+](=O)[O-])cc43)CC2)n1 ZINC000601121201 507268198 /nfs/dbraw/zinc/26/81/98/507268198.db2.gz PXKPHVGFYPXSFL-UHFFFAOYSA-N 1 1 370.438 3.020 20 5 FGBDMO COc1ccc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000601148788 507277420 /nfs/dbraw/zinc/27/74/20/507277420.db2.gz GOJDGXJCJBNMNQ-QGZVFWFLSA-N 1 1 350.802 3.254 20 5 FGBDMO O=C([C@H]1CCCC[N@H+]1C1CCCC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000584332119 507283866 /nfs/dbraw/zinc/28/38/66/507283866.db2.gz XBOMRCQZELSZQO-LJQANCHMSA-N 1 1 357.454 3.277 20 5 FGBDMO COC(=O)CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccccc1 ZINC000610580931 507303469 /nfs/dbraw/zinc/30/34/69/507303469.db2.gz CSFAJTWLIMTLMZ-UHFFFAOYSA-N 1 1 369.377 3.301 20 5 FGBDMO COC(=O)CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccccc1 ZINC000610580931 507303475 /nfs/dbraw/zinc/30/34/75/507303475.db2.gz CSFAJTWLIMTLMZ-UHFFFAOYSA-N 1 1 369.377 3.301 20 5 FGBDMO COCc1csc(C[NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])c1 ZINC000594985959 507342571 /nfs/dbraw/zinc/34/25/71/507342571.db2.gz QRCUNSCCHXEBCU-UHFFFAOYSA-N 1 1 352.412 3.110 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000595005631 507350679 /nfs/dbraw/zinc/35/06/79/507350679.db2.gz BTWIQSLAUUMANB-CQSZACIVSA-N 1 1 356.426 3.449 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCN(c2ccccc2)C1=O ZINC000595013159 507353522 /nfs/dbraw/zinc/35/35/22/507353522.db2.gz FTWVCZDQTDOCAA-DYVFJYSZSA-N 1 1 355.394 3.060 20 5 FGBDMO CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-])CCO2 ZINC000614101023 507365628 /nfs/dbraw/zinc/36/56/28/507365628.db2.gz JMXRXYRPNHSXLY-HNNXBMFYSA-N 1 1 374.393 3.321 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCc2ccccc2NC1=O ZINC000595045775 507367006 /nfs/dbraw/zinc/36/70/06/507367006.db2.gz GSFTYWSVVAQNCN-YVEFUNNKSA-N 1 1 355.394 3.208 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC3(CCC3)[C@H]1C1CCOCC1)OCCO2 ZINC000591839070 507387077 /nfs/dbraw/zinc/38/70/77/507387077.db2.gz VEGHYNMKHSKCBQ-LJQANCHMSA-N 1 1 374.437 3.147 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000584520862 507391562 /nfs/dbraw/zinc/39/15/62/507391562.db2.gz KCRTYLZFGQJRHY-DOTOQJQBSA-N 1 1 356.426 3.109 20 5 FGBDMO O=[N+]([O-])c1ncccc1N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000610808057 507397545 /nfs/dbraw/zinc/39/75/45/507397545.db2.gz YENNRJQWIPSLHT-ROUUACIJSA-N 1 1 352.438 3.481 20 5 FGBDMO CCCN(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](C)C1 ZINC000591963176 507431826 /nfs/dbraw/zinc/43/18/26/507431826.db2.gz QZPMQCPYRKUIIF-SFHVURJKSA-N 1 1 362.474 3.043 20 5 FGBDMO Cc1noc(CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000595306925 507456337 /nfs/dbraw/zinc/45/63/37/507456337.db2.gz QIVVDAMLJQNFDP-UHFFFAOYSA-N 1 1 358.442 3.235 20 5 FGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000595320962 507459654 /nfs/dbraw/zinc/45/96/54/507459654.db2.gz JBVYFMLYIPOXGK-AWEZNQCLSA-N 1 1 355.373 3.156 20 5 FGBDMO O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000598507405 507465391 /nfs/dbraw/zinc/46/53/91/507465391.db2.gz AMCKRDAUZKPKQI-MRXNPFEDSA-N 1 1 364.405 3.080 20 5 FGBDMO O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000598509249 507466659 /nfs/dbraw/zinc/46/66/59/507466659.db2.gz KLOCKZJIHYWLMB-CQSZACIVSA-N 1 1 359.813 3.253 20 5 FGBDMO O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000598509249 507466663 /nfs/dbraw/zinc/46/66/63/507466663.db2.gz KLOCKZJIHYWLMB-CQSZACIVSA-N 1 1 359.813 3.253 20 5 FGBDMO CC[C@](C)(COc1ncccc1Cl)[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595386193 507477863 /nfs/dbraw/zinc/47/78/63/507477863.db2.gz BDFDQNWYOXLGQA-OAHLLOKOSA-N 1 1 354.794 3.277 20 5 FGBDMO O=C(C[NH2+]C1(c2ccccc2Cl)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000592138168 507500845 /nfs/dbraw/zinc/50/08/45/507500845.db2.gz VDCIOFWCOFIRKB-UHFFFAOYSA-N 1 1 371.824 3.416 20 5 FGBDMO COc1ccc(NC(=O)C[NH2+]C2(c3ccccc3F)CCC2)c([N+](=O)[O-])c1 ZINC000592144225 507507729 /nfs/dbraw/zinc/50/77/29/507507729.db2.gz FEEZYSAGOFYUFN-UHFFFAOYSA-N 1 1 373.384 3.350 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC3(C[C@H]2C)CCOCC3)cccc1[N+](=O)[O-] ZINC000592184010 507528229 /nfs/dbraw/zinc/52/82/29/507528229.db2.gz NOZOMEBJVGJEOI-HIFRSBDPSA-N 1 1 361.442 3.121 20 5 FGBDMO COc1ccc([C@@H]2CC[N@@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C2)cc1 ZINC000611267326 507592675 /nfs/dbraw/zinc/59/26/75/507592675.db2.gz JHBKMQBBEFOZHT-OAHLLOKOSA-N 1 1 370.405 3.364 20 5 FGBDMO Cc1ccc([C@H](CN2CCOCC2)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000611377023 507647709 /nfs/dbraw/zinc/64/77/09/507647709.db2.gz FIOAPRCWINHLFB-IBGZPJMESA-N 1 1 373.428 3.205 20 5 FGBDMO COC(=O)[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]2CCCC[C@@H]12 ZINC000595734586 507655350 /nfs/dbraw/zinc/65/53/50/507655350.db2.gz UGFGLTRMQICEJG-VBQJREDUSA-N 1 1 372.425 3.025 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]2CCCC[C@@H]12 ZINC000595734586 507655356 /nfs/dbraw/zinc/65/53/56/507655356.db2.gz UGFGLTRMQICEJG-VBQJREDUSA-N 1 1 372.425 3.025 20 5 FGBDMO COC(=O)[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]2CCCC[C@H]12 ZINC000595734584 507655600 /nfs/dbraw/zinc/65/56/00/507655600.db2.gz UGFGLTRMQICEJG-CPUCHLNUSA-N 1 1 372.425 3.025 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]2CCCC[C@H]12 ZINC000595734584 507655608 /nfs/dbraw/zinc/65/56/08/507655608.db2.gz UGFGLTRMQICEJG-CPUCHLNUSA-N 1 1 372.425 3.025 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H]2CCCC[C@H]12 ZINC000595741792 507659297 /nfs/dbraw/zinc/65/92/97/507659297.db2.gz ZJQFWUYOCTVCFA-BZUAXINKSA-N 1 1 362.426 3.027 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000586808731 507680505 /nfs/dbraw/zinc/68/05/05/507680505.db2.gz WTQCRLKOSXESQM-UHFFFAOYSA-N 1 1 361.442 3.011 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC([C@H]4CCCCO4)CC3)n2)c1 ZINC000595787949 507685082 /nfs/dbraw/zinc/68/50/82/507685082.db2.gz KVESWPVYMBSMFR-QGZVFWFLSA-N 1 1 372.425 3.426 20 5 FGBDMO O=C(NCc1ccccc1)[C@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000592523139 507693373 /nfs/dbraw/zinc/69/33/73/507693373.db2.gz KAXRTIXTMQCGQP-IUYMFKLXSA-N 1 1 365.433 3.246 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](N(C)c2ccccc2)C1 ZINC000595826869 507703599 /nfs/dbraw/zinc/70/35/99/507703599.db2.gz PHWHSDKTEAACPL-KRWDZBQOSA-N 1 1 368.437 3.052 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](N(C)c2ccccc2)C1 ZINC000595826869 507703601 /nfs/dbraw/zinc/70/36/01/507703601.db2.gz PHWHSDKTEAACPL-KRWDZBQOSA-N 1 1 368.437 3.052 20 5 FGBDMO Cn1cc(C[N@H+](C)CCCc2cc(-c3ccccc3)no2)c([N+](=O)[O-])n1 ZINC000602454361 507716330 /nfs/dbraw/zinc/71/63/30/507716330.db2.gz MEAWNKDFNBWIKB-UHFFFAOYSA-N 1 1 355.398 3.048 20 5 FGBDMO Cn1cc(C[N@@H+](C)CCCc2cc(-c3ccccc3)no2)c([N+](=O)[O-])n1 ZINC000602454361 507716337 /nfs/dbraw/zinc/71/63/37/507716337.db2.gz MEAWNKDFNBWIKB-UHFFFAOYSA-N 1 1 355.398 3.048 20 5 FGBDMO Cn1cc(C[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)cn1 ZINC000602483491 507722844 /nfs/dbraw/zinc/72/28/44/507722844.db2.gz LTVAPMIQOXPOQC-GFCCVEGCSA-N 1 1 368.359 3.412 20 5 FGBDMO Cc1ccc(CNC(=O)CCc2cccc([N+](=O)[O-])c2)c(N2CCCC2)[nH+]1 ZINC000611572071 507746432 /nfs/dbraw/zinc/74/64/32/507746432.db2.gz CSXZZNGHIBSQMK-UHFFFAOYSA-N 1 1 368.437 3.147 20 5 FGBDMO [NH3+][C@@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F ZINC000595934961 507749823 /nfs/dbraw/zinc/74/98/23/507749823.db2.gz HGDKPAVXRMDWMR-QGZVFWFLSA-N 1 1 363.364 3.012 20 5 FGBDMO O=[N+]([O-])c1ccsc1N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000588070551 507751685 /nfs/dbraw/zinc/75/16/85/507751685.db2.gz ZNOZLOSRJUMMJK-KRWDZBQOSA-N 1 1 372.494 3.053 20 5 FGBDMO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000736823339 599172389 /nfs/dbraw/zinc/17/23/89/599172389.db2.gz XIVLWRCDMAQWSV-UHFFFAOYSA-N 1 1 358.789 3.060 20 5 FGBDMO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000736823339 599172391 /nfs/dbraw/zinc/17/23/91/599172391.db2.gz XIVLWRCDMAQWSV-UHFFFAOYSA-N 1 1 358.789 3.060 20 5 FGBDMO C[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(-c2nn[nH]n2)cc1 ZINC000824611957 608465187 /nfs/dbraw/zinc/46/51/87/608465187.db2.gz GJVHJNJTMLPYTI-SNVBAGLBSA-N 1 1 358.789 3.279 20 5 FGBDMO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000170647411 705354259 /nfs/dbraw/zinc/35/42/59/705354259.db2.gz OZXIRSFSYFVPRJ-GFCCVEGCSA-N 1 1 353.394 3.081 20 5 FGBDMO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000170647411 705354263 /nfs/dbraw/zinc/35/42/63/705354263.db2.gz OZXIRSFSYFVPRJ-GFCCVEGCSA-N 1 1 353.394 3.081 20 5 FGBDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000173487578 705461129 /nfs/dbraw/zinc/46/11/29/705461129.db2.gz FURIDQGSVZJCKN-HZPDHXFCSA-N 1 1 361.471 3.417 20 5 FGBDMO Cc1cc(F)cc(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000176785289 705591004 /nfs/dbraw/zinc/59/10/04/705591004.db2.gz RBDBLWCVMHMSRO-LBPRGKRZSA-N 1 1 351.422 3.283 20 5 FGBDMO O=C(c1csc([N+](=O)[O-])c1)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000261712070 713713119 /nfs/dbraw/zinc/71/31/19/713713119.db2.gz DRBVNLMZIKGBDB-ZDUSSCGKSA-N 1 1 351.815 3.096 20 5 FGBDMO Cc1ccc(C[NH+]2CCC(Oc3cncc(Cl)n3)CC2)cc1[N+](=O)[O-] ZINC000779190020 724398922 /nfs/dbraw/zinc/39/89/22/724398922.db2.gz YFMYZBXDWWFLKK-UHFFFAOYSA-N 1 1 362.817 3.390 20 5 FGBDMO Cc1cc(Cl)ccc1C[NH+]1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000804777234 724549879 /nfs/dbraw/zinc/54/98/79/724549879.db2.gz WGHJQSDGGBSDPM-UHFFFAOYSA-N 1 1 360.845 3.461 20 5 FGBDMO Cc1cnc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c([N+](=O)[O-])c1 ZINC001164626469 719055711 /nfs/dbraw/zinc/05/57/11/719055711.db2.gz RLWZWLWZOYQPMZ-IEBWSBKVSA-N 1 1 352.438 3.399 20 5 FGBDMO Cc1cc(Cl)nc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c1[N+](=O)[O-] ZINC001164725380 720362055 /nfs/dbraw/zinc/36/20/55/720362055.db2.gz NBRZPRRSCPLVAP-HUUCEWRRSA-N 1 1 373.844 3.200 20 5 FGBDMO Cc1nc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)ncc1[N+](=O)[O-] ZINC001164995755 722211922 /nfs/dbraw/zinc/21/19/22/722211922.db2.gz KJNLIPJYWMXTFT-IBGZPJMESA-N 1 1 371.416 3.077 20 5 FGBDMO O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000715593745 722415918 /nfs/dbraw/zinc/41/59/18/722415918.db2.gz GRRBFCHMKBGWRD-HNNXBMFYSA-N 1 1 359.813 3.253 20 5 FGBDMO O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000715593745 722415919 /nfs/dbraw/zinc/41/59/19/722415919.db2.gz GRRBFCHMKBGWRD-HNNXBMFYSA-N 1 1 359.813 3.253 20 5 FGBDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000743399434 722566969 /nfs/dbraw/zinc/56/69/69/722566969.db2.gz LMBJSICGBHDRSO-HUUCEWRRSA-N 1 1 361.471 3.417 20 5 FGBDMO CCN(CC)C(=O)C1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000746662960 722612838 /nfs/dbraw/zinc/61/28/38/722612838.db2.gz IYONOLKYSLRNLA-UHFFFAOYSA-N 1 1 353.850 3.329 20 5 FGBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756934573 722972056 /nfs/dbraw/zinc/97/20/56/722972056.db2.gz DPJVZGATDSZJDM-BETUJISGSA-N 1 1 368.865 3.310 20 5 FGBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000757259181 722975608 /nfs/dbraw/zinc/97/56/08/722975608.db2.gz DKYHPPUWMNFLPG-CQSZACIVSA-N 1 1 368.865 3.264 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C ZINC000757262471 722975659 /nfs/dbraw/zinc/97/56/59/722975659.db2.gz MPSYEJBWLJJRCB-TZMCWYRMSA-N 1 1 368.865 3.262 20 5 FGBDMO CO[C@]1(C)CCC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000796500096 723640447 /nfs/dbraw/zinc/64/04/47/723640447.db2.gz JGGNNLSDRWPNMB-MRXNPFEDSA-N 1 1 355.822 3.078 20 5 FGBDMO CC[N@H+](CC(=O)NC)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000768302734 723653439 /nfs/dbraw/zinc/65/34/39/723653439.db2.gz PMJOYVOHXNHIAY-UHFFFAOYSA-N 1 1 351.790 3.076 20 5 FGBDMO CC[N@@H+](CC(=O)NC)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000768302734 723653441 /nfs/dbraw/zinc/65/34/41/723653441.db2.gz PMJOYVOHXNHIAY-UHFFFAOYSA-N 1 1 351.790 3.076 20 5 FGBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(c3cn[nH]c3)CC2)ccc1Br ZINC000769004526 723674100 /nfs/dbraw/zinc/67/41/00/723674100.db2.gz OGXDONMLPSFIGW-UHFFFAOYSA-N 1 1 365.231 3.460 20 5 FGBDMO O=[N+]([O-])c1cccc(Br)c1C[N@@H+](CCO)C1CCCCC1 ZINC000771933120 723745926 /nfs/dbraw/zinc/74/59/26/723745926.db2.gz GQNVFYPPXPHYMD-UHFFFAOYSA-N 1 1 357.248 3.484 20 5 FGBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+](CCO)C1CCCCC1 ZINC000771933120 723745927 /nfs/dbraw/zinc/74/59/27/723745927.db2.gz GQNVFYPPXPHYMD-UHFFFAOYSA-N 1 1 357.248 3.484 20 5 FGBDMO O=C(C[N@@H+]1CC[C@H](c2ccccn2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000799195885 723997701 /nfs/dbraw/zinc/99/77/01/723997701.db2.gz IFJRGTBBRXPVCD-LBPRGKRZSA-N 1 1 360.801 3.071 20 5 FGBDMO O=C(C[N@H+]1CC[C@H](c2ccccn2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000799195885 723997704 /nfs/dbraw/zinc/99/77/04/723997704.db2.gz IFJRGTBBRXPVCD-LBPRGKRZSA-N 1 1 360.801 3.071 20 5 FGBDMO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591546 724162748 /nfs/dbraw/zinc/16/27/48/724162748.db2.gz JQVVVSOUYGUCCT-RSNNCKTBSA-N 1 1 362.451 3.059 20 5 FGBDMO O=C1[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCN1c1cccc(Cl)c1 ZINC000778096969 724296625 /nfs/dbraw/zinc/29/66/25/724296625.db2.gz LDUKHTGYKDDTDV-INIZCTEOSA-N 1 1 363.776 3.282 20 5 FGBDMO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000788476026 725066528 /nfs/dbraw/zinc/06/65/28/725066528.db2.gz MHLSASNOGOBTNA-HIFRSBDPSA-N 1 1 351.422 3.251 20 5 FGBDMO CCC[C@@]1(CO)CC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000808796477 725218164 /nfs/dbraw/zinc/21/81/64/725218164.db2.gz MPHYXHJZNRCDMD-OAHLLOKOSA-N 1 1 357.248 3.342 20 5 FGBDMO CCC[C@@]1(CO)CC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000808796477 725218166 /nfs/dbraw/zinc/21/81/66/725218166.db2.gz MPHYXHJZNRCDMD-OAHLLOKOSA-N 1 1 357.248 3.342 20 5 FGBDMO Cc1[nH+]ccn1CCCN(C)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000809753283 725265341 /nfs/dbraw/zinc/26/53/41/725265341.db2.gz OYGNLJTUINJOAO-UHFFFAOYSA-N 1 1 367.247 3.384 20 5 FGBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813193813 726848586 /nfs/dbraw/zinc/84/85/86/726848586.db2.gz PTMIUOOFPCKFGT-GHMZBOCLSA-N 1 1 358.225 3.258 20 5 FGBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000816899376 727203823 /nfs/dbraw/zinc/20/38/23/727203823.db2.gz SATKJKQDRJKYKP-GFCCVEGCSA-N 1 1 353.850 3.489 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Cl)[C@@H]1c1ccccc1 ZINC000816956075 727209970 /nfs/dbraw/zinc/20/99/70/727209970.db2.gz WXDYPWZVPJUSIN-PBHICJAKSA-N 1 1 359.813 3.423 20 5 FGBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@H](CCO)CC1 ZINC000817297490 727237958 /nfs/dbraw/zinc/23/79/58/727237958.db2.gz RLKIKNXVSOCNOL-OLZOCXBDSA-N 1 1 369.849 3.060 20 5 FGBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@H](CCO)CC1 ZINC000817297490 727237959 /nfs/dbraw/zinc/23/79/59/727237959.db2.gz RLKIKNXVSOCNOL-OLZOCXBDSA-N 1 1 369.849 3.060 20 5 FGBDMO C[N@H+]1CCCC[C@@H](CNC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000827202294 729426880 /nfs/dbraw/zinc/42/68/80/729426880.db2.gz TUQIZZULVLTULK-ZDUSSCGKSA-N 1 1 353.850 3.029 20 5 FGBDMO COC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000832744457 729729445 /nfs/dbraw/zinc/72/94/45/729729445.db2.gz DPASSDZLSIHDNE-QWHCGFSZSA-N 1 1 369.849 3.324 20 5 FGBDMO COC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000832744457 729729448 /nfs/dbraw/zinc/72/94/48/729729448.db2.gz DPASSDZLSIHDNE-QWHCGFSZSA-N 1 1 369.849 3.324 20 5 FGBDMO Cc1[nH+]ccn1C[C@H](C)OC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000835214139 729868560 /nfs/dbraw/zinc/86/85/60/729868560.db2.gz UTNUPQYJXWOPQA-VIFPVBQESA-N 1 1 357.288 3.364 20 5 FGBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])C1 ZINC000836728876 729967545 /nfs/dbraw/zinc/96/75/45/729967545.db2.gz KOKPSDNFAYRIMB-CYBMUJFWSA-N 1 1 353.850 3.361 20 5 FGBDMO CC(C)(C)OC(=O)N1CC2(C1)CC[NH+](Cc1csc([N+](=O)[O-])c1)CC2 ZINC000847008950 731005931 /nfs/dbraw/zinc/00/59/31/731005931.db2.gz NXINBQQXOJVODA-UHFFFAOYSA-N 1 1 367.471 3.489 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2C[C@H](O)c3ccccc32)c1 ZINC000850371425 731349556 /nfs/dbraw/zinc/34/95/56/731349556.db2.gz JNQFNDIKBOLUEK-GJZGRUSLSA-N 1 1 350.321 3.464 20 5 FGBDMO CS(=O)(=O)C1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCCCC1 ZINC000850376303 731349879 /nfs/dbraw/zinc/34/98/79/731349879.db2.gz GGGDXJKLQWERRK-UHFFFAOYSA-N 1 1 360.863 3.085 20 5 FGBDMO Cc1noc(C[NH+]2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000851765528 731494380 /nfs/dbraw/zinc/49/43/80/731494380.db2.gz VOSDTOIWBKCUCY-KRWDZBQOSA-N 1 1 365.817 3.490 20 5 FGBDMO Cc1noc(C[N@H+](CC(C)C)C[C@H](O)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000851783852 731497423 /nfs/dbraw/zinc/49/74/23/731497423.db2.gz QBFIIGAAPGZTAH-HNNXBMFYSA-N 1 1 351.378 3.222 20 5 FGBDMO Cc1noc(C[N@@H+](CC(C)C)C[C@H](O)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000851783852 731497426 /nfs/dbraw/zinc/49/74/26/731497426.db2.gz QBFIIGAAPGZTAH-HNNXBMFYSA-N 1 1 351.378 3.222 20 5 FGBDMO O=[N+]([O-])c1cc(F)c(Cl)cc1N1CCC([N@H+]2CCCOCC2)CC1 ZINC000853688522 731742351 /nfs/dbraw/zinc/74/23/51/731742351.db2.gz PNTMUPGCOOEMBB-UHFFFAOYSA-N 1 1 357.813 3.078 20 5 FGBDMO C[N@H+]1CCC[C@@H]2CN(c3cccc(Br)c3[N+](=O)[O-])CC[C@@H]21 ZINC000856736710 732050094 /nfs/dbraw/zinc/05/00/94/732050094.db2.gz RRSIHLBWQHRRKO-YPMHNXCESA-N 1 1 354.248 3.278 20 5 FGBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000862631695 732859008 /nfs/dbraw/zinc/85/90/08/732859008.db2.gz RZBNTVTWIPWXAR-AWEZNQCLSA-N 1 1 351.834 3.385 20 5 FGBDMO CC(C)(O)[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000879964169 737091636 /nfs/dbraw/zinc/09/16/36/737091636.db2.gz CKLSPGUXOURIRP-GFCCVEGCSA-N 1 1 357.248 3.340 20 5 FGBDMO CC(C)(O)[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000879964169 737091640 /nfs/dbraw/zinc/09/16/40/737091640.db2.gz CKLSPGUXOURIRP-GFCCVEGCSA-N 1 1 357.248 3.340 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](c3nccs3)C2)cccc1[N+](=O)[O-] ZINC000880318312 737153950 /nfs/dbraw/zinc/15/39/50/737153950.db2.gz FBALMPKTBNCFGK-CHWSQXEVSA-N 1 1 360.439 3.176 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](c3nccs3)C2)cccc1[N+](=O)[O-] ZINC000880318312 737153955 /nfs/dbraw/zinc/15/39/55/737153955.db2.gz FBALMPKTBNCFGK-CHWSQXEVSA-N 1 1 360.439 3.176 20 5 FGBDMO COc1cccc2c1CC[C@@]2(CO)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000880381567 737167807 /nfs/dbraw/zinc/16/78/07/737167807.db2.gz YSVWGTDLENBVHO-SFHVURJKSA-N 1 1 362.813 3.180 20 5 FGBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000888279739 739495344 /nfs/dbraw/zinc/49/53/44/739495344.db2.gz PBGSHJBITAIRNO-XHDPSFHLSA-N 1 1 352.822 3.115 20 5 FGBDMO COC1CC[NH+](C(C)(C)CNCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000892971216 740064271 /nfs/dbraw/zinc/06/42/71/740064271.db2.gz ODMMPIMMZJYMLX-UHFFFAOYSA-N 1 1 355.866 3.227 20 5 FGBDMO CCO/C=C/[C@](O)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C(F)(F)F ZINC000895708488 742443620 /nfs/dbraw/zinc/44/36/20/742443620.db2.gz SEMRKOUUTCTMFZ-GFUIURDCSA-N 1 1 368.739 3.181 20 5 FGBDMO C[N@H+]1C[C@@]2(C)CN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@@]2(C)C1 ZINC000902806089 743776873 /nfs/dbraw/zinc/77/68/73/743776873.db2.gz JBCZZHUWRJJTLW-IYBDPMFKSA-N 1 1 352.822 3.054 20 5 FGBDMO C[NH+](C)[C@@H](CNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000905177367 743998570 /nfs/dbraw/zinc/99/85/70/743998570.db2.gz SKPZTHWJHUXBOR-HNNXBMFYSA-N 1 1 365.817 3.193 20 5 FGBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000906437300 744132242 /nfs/dbraw/zinc/13/22/42/744132242.db2.gz ZGSZLSWAHCYLOW-CYBMUJFWSA-N 1 1 353.850 3.027 20 5 FGBDMO O=C(C[NH2+][C@H](c1ccccn1)C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000932376746 761152897 /nfs/dbraw/zinc/15/28/97/761152897.db2.gz LRBMHXHALKJCIN-KRWDZBQOSA-N 1 1 360.801 3.323 20 5 FGBDMO C[C@H]1C[C@@H](N(C)C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000933447669 761393324 /nfs/dbraw/zinc/39/33/24/761393324.db2.gz WERYWYQRUQCSQF-STQMWFEESA-N 1 1 353.850 3.122 20 5 FGBDMO Cc1noc(C[C@@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)n1 ZINC000933573823 761431254 /nfs/dbraw/zinc/43/12/54/761431254.db2.gz FUNDYWFZJXIGOX-LBPRGKRZSA-N 1 1 350.806 3.394 20 5 FGBDMO Cc1noc(C[C@@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)n1 ZINC000933573823 761431261 /nfs/dbraw/zinc/43/12/61/761431261.db2.gz FUNDYWFZJXIGOX-LBPRGKRZSA-N 1 1 350.806 3.394 20 5 FGBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000933947400 761508094 /nfs/dbraw/zinc/50/80/94/761508094.db2.gz WHLHSRBSEFYXOP-CQSZACIVSA-N 1 1 363.483 3.121 20 5 FGBDMO COc1ccc(OCC[N@H+]2CC[C@H](Cc3nccs3)C2)c([N+](=O)[O-])c1 ZINC000934332101 761596401 /nfs/dbraw/zinc/59/64/01/761596401.db2.gz HTQNWVHBIHLVLJ-CYBMUJFWSA-N 1 1 363.439 3.003 20 5 FGBDMO C[N@H+]1CCN(CCNc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1(C)C ZINC000580107039 505679116 /nfs/dbraw/zinc/67/91/16/505679116.db2.gz HPRNJCLFPXEFKY-UHFFFAOYSA-N 1 1 361.273 3.340 20 5 FGBDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000068271297 493788631 /nfs/dbraw/zinc/78/86/31/493788631.db2.gz AAEQCUSSJHFXNL-UHFFFAOYSA-N 1 1 371.437 3.130 20 5 FGBDMO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC ZINC000003540692 493852617 /nfs/dbraw/zinc/85/26/17/493852617.db2.gz RSHSFHVJSURUMM-CYBMUJFWSA-N 1 1 373.409 3.071 20 5 FGBDMO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC ZINC000003540692 493852619 /nfs/dbraw/zinc/85/26/19/493852619.db2.gz RSHSFHVJSURUMM-CYBMUJFWSA-N 1 1 373.409 3.071 20 5 FGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CCCOc1ccccc1 ZINC000029852239 493862562 /nfs/dbraw/zinc/86/25/62/493862562.db2.gz CLRPXOGOFIXKON-HNNXBMFYSA-N 1 1 357.410 3.323 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000076494051 493905088 /nfs/dbraw/zinc/90/50/88/493905088.db2.gz KLHUYFSCCNUSQH-INIZCTEOSA-N 1 1 353.422 3.250 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000076494051 493905089 /nfs/dbraw/zinc/90/50/89/493905089.db2.gz KLHUYFSCCNUSQH-INIZCTEOSA-N 1 1 353.422 3.250 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000081605751 493927429 /nfs/dbraw/zinc/92/74/29/493927429.db2.gz FLSNQSBZPQAUOY-SJLPKXTDSA-N 1 1 362.813 3.435 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000081605751 493927432 /nfs/dbraw/zinc/92/74/32/493927432.db2.gz FLSNQSBZPQAUOY-SJLPKXTDSA-N 1 1 362.813 3.435 20 5 FGBDMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000051050873 493944027 /nfs/dbraw/zinc/94/40/27/493944027.db2.gz BGJAORWRTRSCCS-ZBFHGGJFSA-N 1 1 363.458 3.120 20 5 FGBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1cnn(-c2ccccc2)c1 ZINC000051476326 493972364 /nfs/dbraw/zinc/97/23/64/493972364.db2.gz KPXUURBCBMXFFF-UHFFFAOYSA-N 1 1 352.394 3.291 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000052247430 494013751 /nfs/dbraw/zinc/01/37/51/494013751.db2.gz JTQJMQHXFUWARF-AWEZNQCLSA-N 1 1 369.487 3.065 20 5 FGBDMO CC[N@@H+](CCc1ccccc1)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000052968281 494080401 /nfs/dbraw/zinc/08/04/01/494080401.db2.gz KVRVPMILXTWGGX-UHFFFAOYSA-N 1 1 357.410 3.107 20 5 FGBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCc2ccccc2)c([N+](=O)[O-])c1 ZINC000053048092 494087116 /nfs/dbraw/zinc/08/71/16/494087116.db2.gz AWNYTBGXOAHHRG-CQSZACIVSA-N 1 1 357.410 3.105 20 5 FGBDMO CN(C(=O)C[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000053076314 494089612 /nfs/dbraw/zinc/08/96/12/494089612.db2.gz PMSYVNANKFUMNI-LJQANCHMSA-N 1 1 371.412 3.404 20 5 FGBDMO CN(C(=O)C[N@H+]1CCC[C@@H]1Cc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000053076314 494089616 /nfs/dbraw/zinc/08/96/16/494089616.db2.gz PMSYVNANKFUMNI-LJQANCHMSA-N 1 1 371.412 3.404 20 5 FGBDMO CCN1CC[NH+](Cc2ccc(CNc3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000071954619 494111444 /nfs/dbraw/zinc/11/14/44/494111444.db2.gz HCNYMIIPAVPBHO-UHFFFAOYSA-N 1 1 354.454 3.344 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000053369613 494123081 /nfs/dbraw/zinc/12/30/81/494123081.db2.gz KDFHHKLJDQQIGU-MRXNPFEDSA-N 1 1 362.474 3.168 20 5 FGBDMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000064995705 494164434 /nfs/dbraw/zinc/16/44/34/494164434.db2.gz RVSQYWVSCRZYHF-GOEBONIOSA-N 1 1 363.458 3.120 20 5 FGBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000087062013 494168688 /nfs/dbraw/zinc/16/86/88/494168688.db2.gz BHVKHYBJORWVRL-OAHLLOKOSA-N 1 1 374.485 3.173 20 5 FGBDMO COc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000065740132 494231837 /nfs/dbraw/zinc/23/18/37/494231837.db2.gz CSYPWCPHEGBAGE-UHFFFAOYSA-N 1 1 366.377 3.028 20 5 FGBDMO C[C@H]1C[C@H](c2ccccc2F)[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000072773285 494249643 /nfs/dbraw/zinc/24/96/43/494249643.db2.gz XPNNLBNYAJNQAY-KPZWWZAWSA-N 1 1 357.385 3.416 20 5 FGBDMO C[C@H]1C[C@H](c2ccccc2F)[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000072773285 494249648 /nfs/dbraw/zinc/24/96/48/494249648.db2.gz XPNNLBNYAJNQAY-KPZWWZAWSA-N 1 1 357.385 3.416 20 5 FGBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000066050742 494273191 /nfs/dbraw/zinc/27/31/91/494273191.db2.gz DJRGUSYBRYJNDR-OAHLLOKOSA-N 1 1 372.469 3.176 20 5 FGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCOc1ccccc1F ZINC000015045821 494335404 /nfs/dbraw/zinc/33/54/04/494335404.db2.gz GPWGLNVHLKBKRR-ZDUSSCGKSA-N 1 1 361.373 3.072 20 5 FGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CCOc1ccccc1F ZINC000015045821 494335406 /nfs/dbraw/zinc/33/54/06/494335406.db2.gz GPWGLNVHLKBKRR-ZDUSSCGKSA-N 1 1 361.373 3.072 20 5 FGBDMO CCC[N@@H+]1Cc2cccc(NC(=O)CCn3nc(C)c([N+](=O)[O-])c3C)c2C1 ZINC000066514093 494347681 /nfs/dbraw/zinc/34/76/81/494347681.db2.gz SEQPVIKZGGIYAN-UHFFFAOYSA-N 1 1 371.441 3.163 20 5 FGBDMO CCC[N@H+]1Cc2cccc(NC(=O)CCn3nc(C)c([N+](=O)[O-])c3C)c2C1 ZINC000066514093 494347686 /nfs/dbraw/zinc/34/76/86/494347686.db2.gz SEQPVIKZGGIYAN-UHFFFAOYSA-N 1 1 371.441 3.163 20 5 FGBDMO Cc1c(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000571375860 505718130 /nfs/dbraw/zinc/71/81/30/505718130.db2.gz IVAMXVFAGRHVKO-LPHOPBHVSA-N 1 1 372.469 3.062 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000067037943 494460707 /nfs/dbraw/zinc/46/07/07/494460707.db2.gz RNIQIMFGRLUNKV-OAHLLOKOSA-N 1 1 353.422 3.080 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000079561187 494482747 /nfs/dbraw/zinc/48/27/47/494482747.db2.gz OOFROARYOSOGSI-NSHDSACASA-N 1 1 359.348 3.218 20 5 FGBDMO CC[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000090688092 494493562 /nfs/dbraw/zinc/49/35/62/494493562.db2.gz LFKIHGRVZZHZPF-JCGIZDLHSA-N 1 1 362.474 3.418 20 5 FGBDMO C[C@@H]1C[C@H](NC(=O)c2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000079686368 494507767 /nfs/dbraw/zinc/50/77/67/494507767.db2.gz PHKZLDRRGZRNCA-NVXWUHKLSA-N 1 1 353.422 3.378 20 5 FGBDMO CN(C(=O)c1csc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000074446182 494537803 /nfs/dbraw/zinc/53/78/03/494537803.db2.gz HAOUOFQMHAQRQB-MRXNPFEDSA-N 1 1 359.451 3.393 20 5 FGBDMO O=[N+]([O-])c1ccc(OC[C@H](O)C[N@H+]2CCc3ccccc3C2)c(Cl)c1 ZINC000131497210 494640186 /nfs/dbraw/zinc/64/01/86/494640186.db2.gz KZUCUZHTJXWOHU-MRXNPFEDSA-N 1 1 362.813 3.046 20 5 FGBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000047187793 494650798 /nfs/dbraw/zinc/65/07/98/494650798.db2.gz KLJYIXGREHAVEN-CYBMUJFWSA-N 1 1 353.850 3.490 20 5 FGBDMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC000047260993 494666203 /nfs/dbraw/zinc/66/62/03/494666203.db2.gz BAKVDDABRWXGGV-MRXNPFEDSA-N 1 1 354.410 3.149 20 5 FGBDMO Cc1cc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)no1 ZINC000067962824 494710700 /nfs/dbraw/zinc/71/07/00/494710700.db2.gz HMNKNRANNVULFA-KRWDZBQOSA-N 1 1 358.398 3.365 20 5 FGBDMO Cc1cc([C@@H]2CCC[N@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)no1 ZINC000067962824 494710705 /nfs/dbraw/zinc/71/07/05/494710705.db2.gz HMNKNRANNVULFA-KRWDZBQOSA-N 1 1 358.398 3.365 20 5 FGBDMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000025445646 494742255 /nfs/dbraw/zinc/74/22/55/494742255.db2.gz GBBUVAQBCJUKMQ-GOSISDBHSA-N 1 1 369.396 3.460 20 5 FGBDMO O=C(C[N@H+]1CCC[C@@H]1c1ccc(F)cc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000025445646 494742262 /nfs/dbraw/zinc/74/22/62/494742262.db2.gz GBBUVAQBCJUKMQ-GOSISDBHSA-N 1 1 369.396 3.460 20 5 FGBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C12CCC2 ZINC000092040898 494766154 /nfs/dbraw/zinc/76/61/54/494766154.db2.gz LSTJTBGMJQMBLR-QZTJIDSGSA-N 1 1 364.442 3.392 20 5 FGBDMO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3c[nH]nc3-c3cccs3)CC2)c1 ZINC000092047860 494769704 /nfs/dbraw/zinc/76/97/04/494769704.db2.gz YXPWCOFDZSMTAA-UHFFFAOYSA-N 1 1 369.450 3.369 20 5 FGBDMO COc1cc(C[N@@H+](C)[C@@H](C)[C@@H]2Cc3ccccc3O2)c([N+](=O)[O-])cc1OC ZINC000092063777 494773924 /nfs/dbraw/zinc/77/39/24/494773924.db2.gz XVEGPLFATIYYDU-UGSOOPFHSA-N 1 1 372.421 3.436 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000126541246 494784159 /nfs/dbraw/zinc/78/41/59/494784159.db2.gz FNCULOMZZPCITM-YVEFUNNKSA-N 1 1 363.845 3.337 20 5 FGBDMO COc1ccc(C[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000026221432 494811624 /nfs/dbraw/zinc/81/16/24/494811624.db2.gz KXJLYTCQYQGIHB-UHFFFAOYSA-N 1 1 357.410 3.372 20 5 FGBDMO Cc1ccc(NCCCNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)[nH+]c1 ZINC000092225599 494815088 /nfs/dbraw/zinc/81/50/88/494815088.db2.gz VMZFIIHAPFVPGP-UHFFFAOYSA-N 1 1 356.426 3.455 20 5 FGBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000109108156 494833640 /nfs/dbraw/zinc/83/36/40/494833640.db2.gz HVBKVCWTMNMLNR-INIZCTEOSA-N 1 1 360.458 3.073 20 5 FGBDMO CC(C)c1ccc(CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000093147578 494834562 /nfs/dbraw/zinc/83/45/62/494834562.db2.gz DOSUUCNPMHTUFZ-LJQANCHMSA-N 1 1 374.529 3.320 20 5 FGBDMO Cc1cccc(N2CCC(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)[nH+]1 ZINC000116669581 494835447 /nfs/dbraw/zinc/83/54/47/494835447.db2.gz BCKMREQKRXTMDY-JXMROGBWSA-N 1 1 366.421 3.097 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1cc(C)on1 ZINC000026927617 494846574 /nfs/dbraw/zinc/84/65/74/494846574.db2.gz PTFIJSTXHFYLFO-MRXNPFEDSA-N 1 1 374.397 3.066 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1c1cc(C)on1 ZINC000026927617 494846577 /nfs/dbraw/zinc/84/65/77/494846577.db2.gz PTFIJSTXHFYLFO-MRXNPFEDSA-N 1 1 374.397 3.066 20 5 FGBDMO O=C1CCCN1[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000093278067 494856384 /nfs/dbraw/zinc/85/63/84/494856384.db2.gz OKYVXASRBASEFR-HNNXBMFYSA-N 1 1 369.421 3.442 20 5 FGBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000109403614 494868673 /nfs/dbraw/zinc/86/86/73/494868673.db2.gz JCQHYVDIOQDTJG-AWEZNQCLSA-N 1 1 360.458 3.019 20 5 FGBDMO CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000093360822 494878291 /nfs/dbraw/zinc/87/82/91/494878291.db2.gz TWSYPTWZXHBQKJ-CYBMUJFWSA-N 1 1 359.451 3.281 20 5 FGBDMO Cn1cc(C[N@@H+](C)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093608626 494903133 /nfs/dbraw/zinc/90/31/33/494903133.db2.gz OMMLNJUTLDKPHN-QRQLOZEOSA-N 1 1 370.453 3.241 20 5 FGBDMO CC[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000117333472 494911826 /nfs/dbraw/zinc/91/18/26/494911826.db2.gz BYQCNITXEONPDJ-UHFFFAOYSA-N 1 1 355.394 3.415 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)C1CC1 ZINC000132779146 494922997 /nfs/dbraw/zinc/92/29/97/494922997.db2.gz UNEBMZWUKZFNEC-JXFKEZNVSA-N 1 1 373.497 3.006 20 5 FGBDMO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@H](C)C1 ZINC000117756237 494952842 /nfs/dbraw/zinc/95/28/42/494952842.db2.gz KRVYEAOMUFEXOV-STQMWFEESA-N 1 1 353.850 3.027 20 5 FGBDMO CCC[N@H+]1CC[C@H](CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000122812476 495034540 /nfs/dbraw/zinc/03/45/40/495034540.db2.gz IVBQDYMPEQOCBL-MRXNPFEDSA-N 1 1 360.458 3.001 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000122822219 495035964 /nfs/dbraw/zinc/03/59/64/495035964.db2.gz FZRMMXBKFLOCEZ-JKSUJKDBSA-N 1 1 362.474 3.241 20 5 FGBDMO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000111403463 495071228 /nfs/dbraw/zinc/07/12/28/495071228.db2.gz FYRCBOAZFDMYKA-SOFGYWHQSA-N 1 1 359.470 3.233 20 5 FGBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000128284676 495072796 /nfs/dbraw/zinc/07/27/96/495072796.db2.gz CDALOLOPUIQCDA-GFCCVEGCSA-N 1 1 373.375 3.464 20 5 FGBDMO CC[N@@H+]1CCc2nc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])sc2C1 ZINC000128772378 495148327 /nfs/dbraw/zinc/14/83/27/495148327.db2.gz ZFOHXEFLFZJRGL-UHFFFAOYSA-N 1 1 366.830 3.335 20 5 FGBDMO CC[N@H+]1CCc2nc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])sc2C1 ZINC000128772378 495148332 /nfs/dbraw/zinc/14/83/32/495148332.db2.gz ZFOHXEFLFZJRGL-UHFFFAOYSA-N 1 1 366.830 3.335 20 5 FGBDMO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1c1ncccc1[N+](=O)[O-] ZINC000119419243 495163614 /nfs/dbraw/zinc/16/36/14/495163614.db2.gz ZMMQRXRJJCHOKA-BEFAXECRSA-N 1 1 369.469 3.430 20 5 FGBDMO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1c1ncccc1[N+](=O)[O-] ZINC000119419243 495163617 /nfs/dbraw/zinc/16/36/17/495163617.db2.gz ZMMQRXRJJCHOKA-BEFAXECRSA-N 1 1 369.469 3.430 20 5 FGBDMO CS[C@H]1CCCC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000134556066 495167775 /nfs/dbraw/zinc/16/77/75/495167775.db2.gz WBQQWDBJXROJDL-AWEZNQCLSA-N 1 1 351.472 3.449 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000103132545 495196279 /nfs/dbraw/zinc/19/62/79/495196279.db2.gz LJMNKDVNCUTJMW-GOSISDBHSA-N 1 1 367.449 3.198 20 5 FGBDMO CC[N@@H+](C)[C@H](C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000119802129 495243875 /nfs/dbraw/zinc/24/38/75/495243875.db2.gz DYCKNUNIXPPPCQ-IBGZPJMESA-N 1 1 353.422 3.173 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@@H](n4cccn4)C3)o2)c1 ZINC000104683076 495296128 /nfs/dbraw/zinc/29/61/28/495296128.db2.gz KRAAACBBDUTKJD-QGZVFWFLSA-N 1 1 367.409 3.326 20 5 FGBDMO C[N@H+]1CCC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cccs1 ZINC000129874482 495308376 /nfs/dbraw/zinc/30/83/76/495308376.db2.gz JDCFKJTWJHPTHX-RHSMWYFYSA-N 1 1 359.451 3.469 20 5 FGBDMO COc1cc(C)c(C[N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000136822193 495403403 /nfs/dbraw/zinc/40/34/03/495403403.db2.gz NWKLYTSVWRENAC-QGZVFWFLSA-N 1 1 360.410 3.086 20 5 FGBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000120599446 495414406 /nfs/dbraw/zinc/41/44/06/495414406.db2.gz PSSPOEUGLXDERZ-KRWDZBQOSA-N 1 1 374.485 3.389 20 5 FGBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000137574467 495445822 /nfs/dbraw/zinc/44/58/22/495445822.db2.gz ABGJOFQVZXEDKT-ZDUSSCGKSA-N 1 1 351.472 3.024 20 5 FGBDMO Cn1cc(CN[C@@H]2CC[N@H+](C3CCCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000106474776 495458751 /nfs/dbraw/zinc/45/87/51/495458751.db2.gz KVZMBPIVJVSHIV-QGZVFWFLSA-N 1 1 369.469 3.102 20 5 FGBDMO Cn1cc(C[NH2+][C@@H]2CCN(C3CCCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000106474776 495458752 /nfs/dbraw/zinc/45/87/52/495458752.db2.gz KVZMBPIVJVSHIV-QGZVFWFLSA-N 1 1 369.469 3.102 20 5 FGBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)ccc1Cl ZINC000154178669 495536431 /nfs/dbraw/zinc/53/64/31/495536431.db2.gz BIKNPCWFYKYHSN-HNNXBMFYSA-N 1 1 354.834 3.408 20 5 FGBDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000154338473 495585757 /nfs/dbraw/zinc/58/57/57/495585757.db2.gz QZUKAFFCHNZZHY-AWEZNQCLSA-N 1 1 353.850 3.489 20 5 FGBDMO COc1ccc(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000173588436 495601305 /nfs/dbraw/zinc/60/13/05/495601305.db2.gz IMQBDMJKXZDVRX-HNNXBMFYSA-N 1 1 371.437 3.244 20 5 FGBDMO C[C@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1F)[N@@H+](C)Cc1ccccc1 ZINC000173607986 495611884 /nfs/dbraw/zinc/61/18/84/495611884.db2.gz WILSODDWICELCJ-CQSZACIVSA-N 1 1 359.401 3.374 20 5 FGBDMO C[C@@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182554380 495612266 /nfs/dbraw/zinc/61/22/66/495612266.db2.gz JGQRZIWMLJQRHJ-NVXWUHKLSA-N 1 1 374.485 3.090 20 5 FGBDMO C[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182564514 495617403 /nfs/dbraw/zinc/61/74/03/495617403.db2.gz GXYQJKARILCWCV-HOCLYGCPSA-N 1 1 360.458 3.047 20 5 FGBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H](c2nccs2)c2ccccc2)c1 ZINC000154502248 495636285 /nfs/dbraw/zinc/63/62/85/495636285.db2.gz QERPZPDIWLKTPD-SJORKVTESA-N 1 1 355.419 3.464 20 5 FGBDMO CCc1nn(C)c(NC[C@H](c2ccccc2Cl)[NH+](C)C)c1[N+](=O)[O-] ZINC000179563034 495641567 /nfs/dbraw/zinc/64/15/67/495641567.db2.gz QQWXHHLPZGSQOG-CQSZACIVSA-N 1 1 351.838 3.259 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000577800538 505794921 /nfs/dbraw/zinc/79/49/21/505794921.db2.gz DGWYYXXWVBKQIW-GOSISDBHSA-N 1 1 354.410 3.464 20 5 FGBDMO COc1cccc2c1CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C2 ZINC000182669746 495656962 /nfs/dbraw/zinc/65/69/62/495656962.db2.gz WECHLFJJZCEDIE-UHFFFAOYSA-N 1 1 369.421 3.299 20 5 FGBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000173709909 495658226 /nfs/dbraw/zinc/65/82/26/495658226.db2.gz BFNODPCGVHUVLN-QGZVFWFLSA-N 1 1 368.437 3.035 20 5 FGBDMO C[N@H+](CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)Cc1ccccc1 ZINC000154596889 495666649 /nfs/dbraw/zinc/66/66/49/495666649.db2.gz FCJUBZBXKAJXTK-UHFFFAOYSA-N 1 1 353.422 3.218 20 5 FGBDMO C[N@@H+](CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)Cc1ccccc1 ZINC000154596889 495666652 /nfs/dbraw/zinc/66/66/52/495666652.db2.gz FCJUBZBXKAJXTK-UHFFFAOYSA-N 1 1 353.422 3.218 20 5 FGBDMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cc(F)c([N+](=O)[O-])cc1F ZINC000154775095 495724556 /nfs/dbraw/zinc/72/45/56/495724556.db2.gz DQLKMVAWOHWFMJ-OAHLLOKOSA-N 1 1 365.336 3.033 20 5 FGBDMO COc1cc(CN2CCC[N@H+](C3CCCC3)CC2)c([N+](=O)[O-])cc1OC ZINC000179770411 495727190 /nfs/dbraw/zinc/72/71/90/495727190.db2.gz DUHFCRXKXCIFLK-UHFFFAOYSA-N 1 1 363.458 3.062 20 5 FGBDMO COc1ccc(CNc2cc(C[NH+]3CCOCC3)ccc2C)cc1[N+](=O)[O-] ZINC000151141688 495751521 /nfs/dbraw/zinc/75/15/21/495751521.db2.gz HSIUQWKQQMANCF-UHFFFAOYSA-N 1 1 371.437 3.356 20 5 FGBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000183041039 495809912 /nfs/dbraw/zinc/80/99/12/495809912.db2.gz MUVYIPRAHXKGHP-MJGOQNOKSA-N 1 1 374.485 3.043 20 5 FGBDMO COc1cccc(F)c1[C@H](C)[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000174222527 495870618 /nfs/dbraw/zinc/87/06/18/495870618.db2.gz XMUOBRVAYCCLCF-LRDDRELGSA-N 1 1 373.384 3.199 20 5 FGBDMO COc1cc(C[N@@H+](C)CC2CCOCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180134852 495873175 /nfs/dbraw/zinc/87/31/75/495873175.db2.gz FAQKCQVMDHCOGQ-UHFFFAOYSA-N 1 1 374.384 3.106 20 5 FGBDMO CCCCCNC(=O)[C@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174241304 495879325 /nfs/dbraw/zinc/87/93/25/495879325.db2.gz XIEVVDSGUKOFFH-HNNXBMFYSA-N 1 1 363.458 3.133 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@](C)(O)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000180199204 495902454 /nfs/dbraw/zinc/90/24/54/495902454.db2.gz DIPBXUVIORXBBL-HXUWFJFHSA-N 1 1 372.421 3.139 20 5 FGBDMO CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186295779 495932436 /nfs/dbraw/zinc/93/24/36/495932436.db2.gz SZAFZMPEAXPKJW-HXUWFJFHSA-N 1 1 367.449 3.260 20 5 FGBDMO CCN(C(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186296895 495934310 /nfs/dbraw/zinc/93/43/10/495934310.db2.gz JIOZQXRCYMXLJE-KRWDZBQOSA-N 1 1 371.412 3.471 20 5 FGBDMO CCN(C(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186308254 495939734 /nfs/dbraw/zinc/93/97/34/495939734.db2.gz STBXGNLXGCQIKU-HNNXBMFYSA-N 1 1 359.451 3.393 20 5 FGBDMO CCCCc1nnc(NC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000180441286 495997929 /nfs/dbraw/zinc/99/79/29/495997929.db2.gz VOPBQXSVWFLJEV-NSHDSACASA-N 1 1 363.443 3.078 20 5 FGBDMO CC(C)n1cnnc1[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000174550854 496006506 /nfs/dbraw/zinc/00/65/06/496006506.db2.gz ZYWCFXHQKXBGSD-HNNXBMFYSA-N 1 1 359.430 3.026 20 5 FGBDMO O=C(CC[N@H+]1CC[C@]2(C1)OCc1ccccc12)Nc1ccc([N+](=O)[O-])cc1 ZINC000186627372 496079959 /nfs/dbraw/zinc/07/99/59/496079959.db2.gz KIXOLNNWPMCHDH-HXUWFJFHSA-N 1 1 367.405 3.055 20 5 FGBDMO CCC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)c1cc2ccccc2o1 ZINC000174748845 496088247 /nfs/dbraw/zinc/08/82/47/496088247.db2.gz YBAJBUJNXNRAJV-WMLDXEAASA-N 1 1 372.425 3.372 20 5 FGBDMO CC1([C@H]2CCC[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)OCCO1 ZINC000183835642 496130742 /nfs/dbraw/zinc/13/07/42/496130742.db2.gz QHAJUVHPZKRWBX-HNNXBMFYSA-N 1 1 373.409 3.225 20 5 FGBDMO O=C(C1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000172018282 496131458 /nfs/dbraw/zinc/13/14/58/496131458.db2.gz JEPWDAHEMZNFDP-UHFFFAOYSA-N 1 1 351.834 3.083 20 5 FGBDMO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1cc(Cl)ccc1[N+](=O)[O-])CC2 ZINC000174873022 496142699 /nfs/dbraw/zinc/14/26/99/496142699.db2.gz UVNYAZZPKYHJQF-JKSUJKDBSA-N 1 1 354.834 3.000 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000161307534 496149094 /nfs/dbraw/zinc/14/90/94/496149094.db2.gz CGTVCAPUSHAPEW-CJNGLKHVSA-N 1 1 363.483 3.263 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000180812306 496155997 /nfs/dbraw/zinc/15/59/97/496155997.db2.gz FDUZJVINURHXNU-ZDUSSCGKSA-N 1 1 363.483 3.309 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+](C)C[C@H](C)c2nccs2)cccc1[N+](=O)[O-] ZINC000183926146 496164183 /nfs/dbraw/zinc/16/41/83/496164183.db2.gz BPVZJKJXSJCNKC-LBPRGKRZSA-N 1 1 362.455 3.424 20 5 FGBDMO C[C@H](C[N@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1nccs1 ZINC000183958217 496176451 /nfs/dbraw/zinc/17/64/51/496176451.db2.gz MSNDWUMSQYUQBU-SNVBAGLBSA-N 1 1 368.846 3.379 20 5 FGBDMO C[C@H](C[N@@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1nccs1 ZINC000183958217 496176455 /nfs/dbraw/zinc/17/64/55/496176455.db2.gz MSNDWUMSQYUQBU-SNVBAGLBSA-N 1 1 368.846 3.379 20 5 FGBDMO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186937241 496220285 /nfs/dbraw/zinc/22/02/85/496220285.db2.gz VMNXKZQDJHDGGI-UHFFFAOYSA-N 1 1 362.376 3.443 20 5 FGBDMO CCCCNC(=O)C1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000177947174 496262248 /nfs/dbraw/zinc/26/22/48/496262248.db2.gz ZOOIYTKKUNQJJL-UHFFFAOYSA-N 1 1 353.850 3.377 20 5 FGBDMO O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000175157342 496270731 /nfs/dbraw/zinc/27/07/31/496270731.db2.gz SOYLBQMMBOLVIB-IBGZPJMESA-N 1 1 353.422 3.379 20 5 FGBDMO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000175157342 496270734 /nfs/dbraw/zinc/27/07/34/496270734.db2.gz SOYLBQMMBOLVIB-IBGZPJMESA-N 1 1 353.422 3.379 20 5 FGBDMO Cc1cnn(-c2cc[nH+]cc2NC(=O)CSc2ccc([N+](=O)[O-])cc2)c1 ZINC000156730307 496321529 /nfs/dbraw/zinc/32/15/29/496321529.db2.gz CLQLTTNTHHGGGA-UHFFFAOYSA-N 1 1 369.406 3.215 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(CN3CCC[N@H+](C4CCCC4)CC3)n2)cc1 ZINC000172579403 496348652 /nfs/dbraw/zinc/34/86/52/496348652.db2.gz WPXZJAVQXCMBKI-UHFFFAOYSA-N 1 1 371.441 3.095 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H](C)Cc1ccc(C)cc1 ZINC000156902779 496360995 /nfs/dbraw/zinc/36/09/95/496360995.db2.gz VRTUDWJZDHQEIM-OAHLLOKOSA-N 1 1 371.437 3.413 20 5 FGBDMO COc1ccc(C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000181509804 496426320 /nfs/dbraw/zinc/42/63/20/496426320.db2.gz WWZJJEPDROKKHE-KRWDZBQOSA-N 1 1 372.421 3.008 20 5 FGBDMO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000153375757 496435547 /nfs/dbraw/zinc/43/55/47/496435547.db2.gz DUJQOEXCLVBXCE-MCFURUIZSA-N 1 1 355.438 3.083 20 5 FGBDMO Cc1[nH+]ccn1CCCCNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000175578389 496450452 /nfs/dbraw/zinc/45/04/52/496450452.db2.gz OPAJDJLJTHZRMG-UHFFFAOYSA-N 1 1 359.430 3.114 20 5 FGBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000172842486 496457979 /nfs/dbraw/zinc/45/79/79/496457979.db2.gz UAPZNMWXRULTOF-MRXNPFEDSA-N 1 1 360.458 3.116 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000163128737 496470949 /nfs/dbraw/zinc/47/09/49/496470949.db2.gz HEDVCDUQQDYRRB-UHFFFAOYSA-N 1 1 360.389 3.296 20 5 FGBDMO COC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000181649350 496485987 /nfs/dbraw/zinc/48/59/87/496485987.db2.gz JXXBNGCDFPEVJZ-MRXNPFEDSA-N 1 1 363.801 3.164 20 5 FGBDMO COc1cc(C[NH2+][C@H](C)c2cccnc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000181656475 496489405 /nfs/dbraw/zinc/48/94/05/496489405.db2.gz OMWPJPGFXUFJQH-LLVKDONJSA-N 1 1 367.352 3.493 20 5 FGBDMO O=C(C1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000163263891 496490608 /nfs/dbraw/zinc/49/06/08/496490608.db2.gz IVXCOQXUDFJJGO-UHFFFAOYSA-N 1 1 351.834 3.083 20 5 FGBDMO CCc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000153559620 496497724 /nfs/dbraw/zinc/49/77/24/496497724.db2.gz CKLULBSEEYNTEI-SJLPKXTDSA-N 1 1 357.454 3.246 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000184701025 496499052 /nfs/dbraw/zinc/49/90/52/496499052.db2.gz JBEIRZOACLFRPP-WMLDXEAASA-N 1 1 358.442 3.121 20 5 FGBDMO C[NH+](C)[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000172956812 496499813 /nfs/dbraw/zinc/49/98/13/496499813.db2.gz GZKQHLPMEGPVIN-QGZVFWFLSA-N 1 1 361.829 3.210 20 5 FGBDMO Cc1cnc(CC[N@@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)s1 ZINC000157782449 496553851 /nfs/dbraw/zinc/55/38/51/496553851.db2.gz GYYFOJQFAZHBDM-ZDUSSCGKSA-N 1 1 362.455 3.170 20 5 FGBDMO Cc1cnc(CC[N@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)s1 ZINC000157782449 496553858 /nfs/dbraw/zinc/55/38/58/496553858.db2.gz GYYFOJQFAZHBDM-ZDUSSCGKSA-N 1 1 362.455 3.170 20 5 FGBDMO Cc1csc2nc(C[NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)cc(=O)n12 ZINC000181842935 496568561 /nfs/dbraw/zinc/56/85/61/496568561.db2.gz SZNLBWJVINGAEH-GFCCVEGCSA-N 1 1 358.423 3.132 20 5 FGBDMO C[C@@H](NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000178876483 496602627 /nfs/dbraw/zinc/60/26/27/496602627.db2.gz VXGUOMYNKXNUSN-CQSZACIVSA-N 1 1 371.441 3.054 20 5 FGBDMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000571956879 505854651 /nfs/dbraw/zinc/85/46/51/505854651.db2.gz NYNHDGQCSRTHIU-FUHWJXTLSA-N 1 1 374.437 3.426 20 5 FGBDMO C[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cccc(F)c1F ZINC000181975541 496619112 /nfs/dbraw/zinc/61/91/12/496619112.db2.gz HBNSHIAPOQNXFV-NSHDSACASA-N 1 1 361.348 3.113 20 5 FGBDMO CSc1cccc(C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000188080120 496674992 /nfs/dbraw/zinc/67/49/92/496674992.db2.gz PCKDFSSVFYFZFQ-CHWSQXEVSA-N 1 1 351.472 3.167 20 5 FGBDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C ZINC000188101874 496683800 /nfs/dbraw/zinc/68/38/00/496683800.db2.gz UBJPNOGREKANHA-GUYCJALGSA-N 1 1 358.394 3.486 20 5 FGBDMO C[C@@H]1C[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000176114607 496689416 /nfs/dbraw/zinc/68/94/16/496689416.db2.gz RPDDEHUTWDYLHE-CJNGLKHVSA-N 1 1 359.451 3.439 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000182216366 496710691 /nfs/dbraw/zinc/71/06/91/496710691.db2.gz HFPRJNFLHBNOQX-QGZVFWFLSA-N 1 1 360.385 3.138 20 5 FGBDMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000194857392 496737571 /nfs/dbraw/zinc/73/75/71/496737571.db2.gz DURLHBKLIBVZMV-GOSISDBHSA-N 1 1 361.398 3.147 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000247120210 496786036 /nfs/dbraw/zinc/78/60/36/496786036.db2.gz YWKOSUIWKRZLGP-IAGOWNOFSA-N 1 1 359.470 3.250 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000268984229 496842156 /nfs/dbraw/zinc/84/21/56/496842156.db2.gz LCSVBLUNPGJLMB-SJLPKXTDSA-N 1 1 368.437 3.050 20 5 FGBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277730481 496868906 /nfs/dbraw/zinc/86/89/06/496868906.db2.gz BHPHQBMOPPYTIP-RTBURBONSA-N 1 1 361.445 3.450 20 5 FGBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000273851028 496932185 /nfs/dbraw/zinc/93/21/85/496932185.db2.gz LQOZIAUGCVVXEH-AWEZNQCLSA-N 1 1 365.449 3.202 20 5 FGBDMO Cc1[nH+]ccn1CCCCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000273968087 496975762 /nfs/dbraw/zinc/97/57/62/496975762.db2.gz QTMGRNCYEWFRDC-UHFFFAOYSA-N 1 1 362.405 3.113 20 5 FGBDMO CC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H](C)c1cccc(O)c1 ZINC000248460527 497019160 /nfs/dbraw/zinc/01/91/60/497019160.db2.gz OMSHEUYYPYQNSC-PBHICJAKSA-N 1 1 360.410 3.123 20 5 FGBDMO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)CC1(c2ccccc2)CC1 ZINC000189289190 497070089 /nfs/dbraw/zinc/07/00/89/497070089.db2.gz QSGXZXQJYXDQOO-UHFFFAOYSA-N 1 1 365.433 3.148 20 5 FGBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)CC1(c2ccccc2)CC1 ZINC000189289190 497070095 /nfs/dbraw/zinc/07/00/95/497070095.db2.gz QSGXZXQJYXDQOO-UHFFFAOYSA-N 1 1 365.433 3.148 20 5 FGBDMO COc1cc(CN2CC[N@H+](C)C[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1F ZINC000248644265 497070401 /nfs/dbraw/zinc/07/04/01/497070401.db2.gz ZLZGBCCTRFYHHP-GOSISDBHSA-N 1 1 359.401 3.231 20 5 FGBDMO COc1cc(CN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1F ZINC000248644265 497070407 /nfs/dbraw/zinc/07/04/07/497070407.db2.gz ZLZGBCCTRFYHHP-GOSISDBHSA-N 1 1 359.401 3.231 20 5 FGBDMO COC(=O)COc1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000274421115 497094338 /nfs/dbraw/zinc/09/43/38/497094338.db2.gz DRRHJIAMCGWXGN-GFCCVEGCSA-N 1 1 362.357 3.137 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000249121321 497170444 /nfs/dbraw/zinc/17/04/44/497170444.db2.gz ZIOYKOAABNCPCJ-MSOLQXFVSA-N 1 1 354.410 3.470 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(SC)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000249138696 497173324 /nfs/dbraw/zinc/17/33/24/497173324.db2.gz PGMQVYLXLYGCOE-JSGCOSHPSA-N 1 1 351.472 3.119 20 5 FGBDMO COC[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCCO1 ZINC000278786875 497220545 /nfs/dbraw/zinc/22/05/45/497220545.db2.gz ZSNYSDMZGWOXFG-HOTGVXAUSA-N 1 1 363.439 3.002 20 5 FGBDMO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000278830707 497235655 /nfs/dbraw/zinc/23/56/55/497235655.db2.gz DCLPFDCOXISRRV-KWQFWETISA-N 1 1 361.345 3.454 20 5 FGBDMO COc1ccc(C[N@@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)cc1[N+](=O)[O-] ZINC000266101253 497255595 /nfs/dbraw/zinc/25/55/95/497255595.db2.gz KOPFLVBBLMEYOF-CQSZACIVSA-N 1 1 358.398 3.243 20 5 FGBDMO COc1ccc(C[N@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)cc1[N+](=O)[O-] ZINC000266101253 497255602 /nfs/dbraw/zinc/25/56/02/497255602.db2.gz KOPFLVBBLMEYOF-CQSZACIVSA-N 1 1 358.398 3.243 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@H](C)[C@H](OC)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000251910497 497291071 /nfs/dbraw/zinc/29/10/71/497291071.db2.gz RQLWETMLLYIIQI-MEDUHNTESA-N 1 1 374.384 3.104 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@H](C)[C@H](OC)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000251910497 497291075 /nfs/dbraw/zinc/29/10/75/497291075.db2.gz RQLWETMLLYIIQI-MEDUHNTESA-N 1 1 374.384 3.104 20 5 FGBDMO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000266282849 497295102 /nfs/dbraw/zinc/29/51/02/497295102.db2.gz HAICOVUGBGNQFK-ZYHUDNBSSA-N 1 1 359.348 3.168 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCCc3ccc4c(c3)CCO4)C2)nc1 ZINC000193252427 497334443 /nfs/dbraw/zinc/33/44/43/497334443.db2.gz OWQKEIYBYDKRNY-KRWDZBQOSA-N 1 1 368.437 3.044 20 5 FGBDMO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCc2ccccc2C1)c1ccccc1[N+](=O)[O-] ZINC000266436350 497341029 /nfs/dbraw/zinc/34/10/29/497341029.db2.gz FKCFCUXWLVAEJF-CABCVRRESA-N 1 1 353.422 3.219 20 5 FGBDMO C[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1c1cccc(F)c1 ZINC000245411386 497391882 /nfs/dbraw/zinc/39/18/82/497391882.db2.gz WQJFUOCCBYVTNN-KZULUSFZSA-N 1 1 357.385 3.416 20 5 FGBDMO Cc1cc(C2CC[NH+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)CC2)n[nH]1 ZINC000271612696 497398208 /nfs/dbraw/zinc/39/82/08/497398208.db2.gz KOODVMOSPMHEJO-UHFFFAOYSA-N 1 1 368.397 3.056 20 5 FGBDMO Cc1cc(C2CC[NH+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)CC2)[nH]n1 ZINC000271612696 497398212 /nfs/dbraw/zinc/39/82/12/497398212.db2.gz KOODVMOSPMHEJO-UHFFFAOYSA-N 1 1 368.397 3.056 20 5 FGBDMO Cc1[nH+]ccn1CCCCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000279303587 497400356 /nfs/dbraw/zinc/40/03/56/497400356.db2.gz NPLOECMVGSPHFQ-UHFFFAOYSA-N 1 1 368.796 3.031 20 5 FGBDMO C[C@@]1(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000581074221 505904707 /nfs/dbraw/zinc/90/47/07/505904707.db2.gz KNNTYXAWZVTCRB-LJQANCHMSA-N 1 1 357.385 3.128 20 5 FGBDMO COC[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000193687467 497447629 /nfs/dbraw/zinc/44/76/29/497447629.db2.gz XHDYCVMTHUPYOO-HNNXBMFYSA-N 1 1 363.801 3.164 20 5 FGBDMO CSc1ccc(C(=O)NCC[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000193705082 497453101 /nfs/dbraw/zinc/45/31/01/497453101.db2.gz DDKRVBAOSFUFJE-UHFFFAOYSA-N 1 1 359.451 3.179 20 5 FGBDMO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000267043519 497474519 /nfs/dbraw/zinc/47/45/19/497474519.db2.gz PHFMXVOEHGZJRH-UHFFFAOYSA-N 1 1 359.401 3.458 20 5 FGBDMO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000267043519 497474524 /nfs/dbraw/zinc/47/45/24/497474524.db2.gz PHFMXVOEHGZJRH-UHFFFAOYSA-N 1 1 359.401 3.458 20 5 FGBDMO Cc1cccc(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000193799150 497485630 /nfs/dbraw/zinc/48/56/30/497485630.db2.gz PURFRLFLEVWEJS-QGZVFWFLSA-N 1 1 353.422 3.155 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193804613 497487804 /nfs/dbraw/zinc/48/78/04/497487804.db2.gz APOUSWVLTJWSMW-QGZVFWFLSA-N 1 1 353.422 3.155 20 5 FGBDMO O=C1CC[C@H]2C[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]2N1C1CC1 ZINC000245745214 497525311 /nfs/dbraw/zinc/52/53/11/497525311.db2.gz FTNGDIDPBRNTTJ-LRDDRELGSA-N 1 1 363.845 3.224 20 5 FGBDMO O=C1CC[C@H]2C[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]2N1C1CC1 ZINC000245745214 497525313 /nfs/dbraw/zinc/52/53/13/497525313.db2.gz FTNGDIDPBRNTTJ-LRDDRELGSA-N 1 1 363.845 3.224 20 5 FGBDMO COc1cc(C[NH2+]Cc2cnc(C)s2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272353584 497605296 /nfs/dbraw/zinc/60/52/96/497605296.db2.gz DLEJNIHWNVGIAV-UHFFFAOYSA-N 1 1 373.381 3.302 20 5 FGBDMO C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272363857 497608667 /nfs/dbraw/zinc/60/86/67/497608667.db2.gz SOACUNXZJXNCES-APWZRJJASA-N 1 1 367.449 3.164 20 5 FGBDMO CC(C)CCOC1CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000194335231 497638000 /nfs/dbraw/zinc/63/80/00/497638000.db2.gz RGLPLLFKMVMSLD-OAHLLOKOSA-N 1 1 363.458 3.449 20 5 FGBDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000276861174 497673836 /nfs/dbraw/zinc/67/38/36/497673836.db2.gz GLKYMJIDCAYQQP-INIZCTEOSA-N 1 1 363.458 3.122 20 5 FGBDMO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272717207 497710935 /nfs/dbraw/zinc/71/09/35/497710935.db2.gz ZDGCUVLZKIGNGH-UHFFFAOYSA-N 1 1 355.394 3.457 20 5 FGBDMO COc1ccc(OCC[N@@H+]2CCC=C(c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC000578375707 505925777 /nfs/dbraw/zinc/92/57/77/505925777.db2.gz DXEJBFUKESJREZ-UHFFFAOYSA-N 1 1 355.394 3.167 20 5 FGBDMO COc1ccc(OCC[N@H+]2CCC=C(c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC000578375707 505925781 /nfs/dbraw/zinc/92/57/81/505925781.db2.gz DXEJBFUKESJREZ-UHFFFAOYSA-N 1 1 355.394 3.167 20 5 FGBDMO C[N@@H+]1CCC[C@H]2CN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC[C@H]21 ZINC000246616742 497790025 /nfs/dbraw/zinc/79/00/25/497790025.db2.gz DVULARUEPARHST-FUHWJXTLSA-N 1 1 370.453 3.208 20 5 FGBDMO C[N@H+]1CCC[C@H]2CN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC[C@H]21 ZINC000246616742 497790028 /nfs/dbraw/zinc/79/00/28/497790028.db2.gz DVULARUEPARHST-FUHWJXTLSA-N 1 1 370.453 3.208 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCN(C)[C@H](c2nc(C3CC3)no2)C1 ZINC000284561774 497829782 /nfs/dbraw/zinc/82/97/82/497829782.db2.gz GAEXMTXCAUMFMD-DYVFJYSZSA-N 1 1 371.441 3.213 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCN(C)[C@H](c2nc(C3CC3)no2)C1 ZINC000284561774 497829785 /nfs/dbraw/zinc/82/97/85/497829785.db2.gz GAEXMTXCAUMFMD-DYVFJYSZSA-N 1 1 371.441 3.213 20 5 FGBDMO O=C(c1cccc([N+](=O)[O-])c1)N1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000364482605 497979897 /nfs/dbraw/zinc/97/98/97/497979897.db2.gz MOXBRYFYYIXLPM-UHFFFAOYSA-N 1 1 357.385 3.082 20 5 FGBDMO O=C(c1cccc([N+](=O)[O-])c1)N1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000364482605 497979902 /nfs/dbraw/zinc/97/99/02/497979902.db2.gz MOXBRYFYYIXLPM-UHFFFAOYSA-N 1 1 357.385 3.082 20 5 FGBDMO CCO[C@@H]1C[C@@H]([NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C12CCC2 ZINC000296289419 497986526 /nfs/dbraw/zinc/98/65/26/497986526.db2.gz PAKXAYCKTNPNCP-HUUCEWRRSA-N 1 1 358.398 3.082 20 5 FGBDMO CCO[C@@H]1C[C@H]([NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C12CCC2 ZINC000296289433 497986954 /nfs/dbraw/zinc/98/69/54/497986954.db2.gz PAKXAYCKTNPNCP-LSDHHAIUSA-N 1 1 358.398 3.082 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@@H](n3cncn3)C2)s1 ZINC000364511422 497994394 /nfs/dbraw/zinc/99/43/94/497994394.db2.gz QESVLOUGLFFOOH-CYBMUJFWSA-N 1 1 355.423 3.362 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000364623429 498056048 /nfs/dbraw/zinc/05/60/48/498056048.db2.gz GKYWDALBBNIKSA-DYVFJYSZSA-N 1 1 359.451 3.388 20 5 FGBDMO COCc1cc([N+](=O)[O-])ccc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000301344220 498067350 /nfs/dbraw/zinc/06/73/50/498067350.db2.gz JSRVHTUKUFHMPF-UHFFFAOYSA-N 1 1 355.438 3.454 20 5 FGBDMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000364693881 498093685 /nfs/dbraw/zinc/09/36/85/498093685.db2.gz ICIZMIHHDYSRBS-IAGOWNOFSA-N 1 1 351.834 3.224 20 5 FGBDMO O=[N+]([O-])c1ccc(SC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)nc1 ZINC000578627677 505984821 /nfs/dbraw/zinc/98/48/21/505984821.db2.gz QOKILWNZJMALCN-KRWDZBQOSA-N 1 1 359.451 3.373 20 5 FGBDMO O=C1NC[C@@]2(CCC[N@@H+](Cc3cc(=O)oc4ccc5ccccc5c34)C2)O1 ZINC000364781585 498140018 /nfs/dbraw/zinc/14/00/18/498140018.db2.gz VDRAJVCIVHGSFW-OAQYLSRUSA-N 1 1 364.401 3.021 20 5 FGBDMO Cc1ccn(C2CC[NH+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)n1 ZINC000364891301 498193969 /nfs/dbraw/zinc/19/39/69/498193969.db2.gz XZBHMLOQEATQMK-OAHLLOKOSA-N 1 1 371.441 3.072 20 5 FGBDMO Cc1ncc(C[N@H+]2CC[C@H](Nc3cc(C)c([N+](=O)[O-])cn3)[C@@H](C)C2)s1 ZINC000364922091 498210553 /nfs/dbraw/zinc/21/05/53/498210553.db2.gz FNZNIRACICIBRU-WFASDCNBSA-N 1 1 361.471 3.386 20 5 FGBDMO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000359883780 498228277 /nfs/dbraw/zinc/22/82/77/498228277.db2.gz XMGUDMYIICSIAA-KDOFPFPSSA-N 1 1 354.410 3.036 20 5 FGBDMO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000359883780 498228283 /nfs/dbraw/zinc/22/82/83/498228283.db2.gz XMGUDMYIICSIAA-KDOFPFPSSA-N 1 1 354.410 3.036 20 5 FGBDMO O=[N+]([O-])c1cc(F)c(NCc2ccccc2C[NH+]2CCOCC2)c(F)c1 ZINC000301794677 498267338 /nfs/dbraw/zinc/26/73/38/498267338.db2.gz PXHWSQCEDZWWFC-UHFFFAOYSA-N 1 1 363.364 3.317 20 5 FGBDMO CC(C)[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000331179413 498268511 /nfs/dbraw/zinc/26/85/11/498268511.db2.gz WREFAYDPXUBNJM-AWEZNQCLSA-N 1 1 359.348 3.026 20 5 FGBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000569750311 506008221 /nfs/dbraw/zinc/00/82/21/506008221.db2.gz BEJAVCHWCDVOMA-LLVKDONJSA-N 1 1 372.263 3.208 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@@H]3c3cc[nH]n3)o2)c1 ZINC000286095860 498291064 /nfs/dbraw/zinc/29/10/64/498291064.db2.gz KVSGUGKIDGUPEE-MRXNPFEDSA-N 1 1 353.382 3.353 20 5 FGBDMO CC(C)(C)Oc1cc(NCC(C)(C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000301860111 498298060 /nfs/dbraw/zinc/29/80/60/498298060.db2.gz FLNNRQQOMBGAHN-UHFFFAOYSA-N 1 1 351.447 3.295 20 5 FGBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000293216743 498309332 /nfs/dbraw/zinc/30/93/32/498309332.db2.gz QMOGHRHUQAJICN-NSHDSACASA-N 1 1 359.348 3.027 20 5 FGBDMO O=[N+]([O-])c1cncc(Br)c1N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000301901142 498319480 /nfs/dbraw/zinc/31/94/80/498319480.db2.gz VKDGRNJCXKXGBH-LBPRGKRZSA-N 1 1 369.263 3.429 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C/C=C/c3ccc(F)c(F)c3)C2)nc1 ZINC000569741990 506005991 /nfs/dbraw/zinc/00/59/91/506005991.db2.gz ZRBBDOZUFZSBSS-YUKKFKLSSA-N 1 1 360.364 3.468 20 5 FGBDMO Cc1nc(N2CCC(C[N@H+](C)Cc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000297163322 498339518 /nfs/dbraw/zinc/33/95/18/498339518.db2.gz PBPVZRAMGZKMHC-UHFFFAOYSA-N 1 1 355.442 3.042 20 5 FGBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)Nc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000301987806 498358138 /nfs/dbraw/zinc/35/81/38/498358138.db2.gz DPWPPWYIQRUQIH-CYBMUJFWSA-N 1 1 367.409 3.176 20 5 FGBDMO Cc1ccc(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(N2CCCC2)[nH+]1 ZINC000302070665 498396260 /nfs/dbraw/zinc/39/62/60/498396260.db2.gz YEPBIGDXMIELPA-UHFFFAOYSA-N 1 1 357.370 3.419 20 5 FGBDMO Cc1cc(NC[C@@H](C(C)C)N2CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302146990 498415784 /nfs/dbraw/zinc/41/57/84/498415784.db2.gz GVYILKLTBJKOGB-IBGZPJMESA-N 1 1 358.442 3.220 20 5 FGBDMO Cc1cc(N2CCC[C@@H](CN3CCOCC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302184243 498433117 /nfs/dbraw/zinc/43/31/17/498433117.db2.gz OXBCGAWMJLUKTP-INIZCTEOSA-N 1 1 370.453 3.000 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)N2CCC([N@H+]3CCC[C@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000361955255 498444963 /nfs/dbraw/zinc/44/49/63/498444963.db2.gz MJOIGJOCSSZKIK-GDBMZVCRSA-N 1 1 374.485 3.179 20 5 FGBDMO CCC[N@@H+](CC)C[C@@H](C)N[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000290183157 498454460 /nfs/dbraw/zinc/45/44/60/498454460.db2.gz NSGIWATYQWREQF-QAPCUYQASA-N 1 1 359.474 3.128 20 5 FGBDMO C[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000302238038 498455478 /nfs/dbraw/zinc/45/54/78/498455478.db2.gz WMIXBFGHWAERQX-ZIAGYGMSSA-N 1 1 351.769 3.035 20 5 FGBDMO C[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000302238038 498455483 /nfs/dbraw/zinc/45/54/83/498455483.db2.gz WMIXBFGHWAERQX-ZIAGYGMSSA-N 1 1 351.769 3.035 20 5 FGBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000297598371 498505350 /nfs/dbraw/zinc/50/53/50/498505350.db2.gz HAAGWGHYWBZUIQ-QMTHXVAHSA-N 1 1 359.348 3.026 20 5 FGBDMO CN(C(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1)c1ccccc1 ZINC000282431823 498510272 /nfs/dbraw/zinc/51/02/72/498510272.db2.gz HMSTWZLMIGQVNJ-OAHLLOKOSA-N 1 1 357.385 3.219 20 5 FGBDMO Cc1noc([C@H](C)[N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)n1 ZINC000572852189 506067767 /nfs/dbraw/zinc/06/77/67/506067767.db2.gz AVGDBYLJLGDEOY-NSHDSACASA-N 1 1 357.370 3.177 20 5 FGBDMO Cc1noc([C@H](C)[N@@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)n1 ZINC000572852189 506067768 /nfs/dbraw/zinc/06/77/68/506067768.db2.gz AVGDBYLJLGDEOY-NSHDSACASA-N 1 1 357.370 3.177 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000365811085 498652013 /nfs/dbraw/zinc/65/20/13/498652013.db2.gz KTZLNEJDUFCQKY-OAHLLOKOSA-N 1 1 366.425 3.098 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000332346732 498658095 /nfs/dbraw/zinc/65/80/95/498658095.db2.gz RXNMQZLQDKOHNI-LZWOXQAQSA-N 1 1 361.442 3.081 20 5 FGBDMO Cc1cccc(OCC[N@@H+](C)[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000303390737 498670082 /nfs/dbraw/zinc/67/00/82/498670082.db2.gz NHSFCHOFWJNUJW-IBGZPJMESA-N 1 1 369.421 3.019 20 5 FGBDMO Cc1cccc(OCC[N@H+](C)[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000303390737 498670090 /nfs/dbraw/zinc/67/00/90/498670090.db2.gz NHSFCHOFWJNUJW-IBGZPJMESA-N 1 1 369.421 3.019 20 5 FGBDMO O=C(C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000581900116 506085954 /nfs/dbraw/zinc/08/59/54/506085954.db2.gz IACOEXUAXAKKNX-MRXNPFEDSA-N 1 1 369.396 3.113 20 5 FGBDMO O=C(C[N@H+]1CC[C@@H](c2cccc(F)c2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000581900116 506085956 /nfs/dbraw/zinc/08/59/56/506085956.db2.gz IACOEXUAXAKKNX-MRXNPFEDSA-N 1 1 369.396 3.113 20 5 FGBDMO CC(C)(C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1)C(N)=O ZINC000294744542 498791816 /nfs/dbraw/zinc/79/18/16/498791816.db2.gz HMUJQHBAYOCCEQ-ZDUSSCGKSA-N 1 1 353.850 3.362 20 5 FGBDMO C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000576165257 506091570 /nfs/dbraw/zinc/09/15/70/506091570.db2.gz GPCDWHJOMGSZMA-ZOCIIQOWSA-N 1 1 353.422 3.260 20 5 FGBDMO C[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000323768492 498822924 /nfs/dbraw/zinc/82/29/24/498822924.db2.gz YMTCYFGRKWTZHS-HNNXBMFYSA-N 1 1 371.412 3.328 20 5 FGBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cnc(-c2cnn(C)c2)nc1 ZINC000366253110 498843774 /nfs/dbraw/zinc/84/37/74/498843774.db2.gz LSMNBQDBWLSBQU-UHFFFAOYSA-N 1 1 366.425 3.196 20 5 FGBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cnc(-c2cnn(C)c2)nc1 ZINC000366253110 498843777 /nfs/dbraw/zinc/84/37/77/498843777.db2.gz LSMNBQDBWLSBQU-UHFFFAOYSA-N 1 1 366.425 3.196 20 5 FGBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363558109 498877548 /nfs/dbraw/zinc/87/75/48/498877548.db2.gz NYANUWSXJWQNTC-NORZTCDRSA-N 1 1 364.833 3.196 20 5 FGBDMO CC(C)[N@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000579173717 506109660 /nfs/dbraw/zinc/10/96/60/506109660.db2.gz BEPHEPBAKFAWLJ-HNNXBMFYSA-N 1 1 358.442 3.131 20 5 FGBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc(-c2ccccc2F)no1 ZINC000582015440 506113079 /nfs/dbraw/zinc/11/30/79/506113079.db2.gz WBVXPOGZPQCNGC-UHFFFAOYSA-N 1 1 356.357 3.458 20 5 FGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc(-c2ccccc2F)no1 ZINC000582015440 506113082 /nfs/dbraw/zinc/11/30/82/506113082.db2.gz WBVXPOGZPQCNGC-UHFFFAOYSA-N 1 1 356.357 3.458 20 5 FGBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[N@H+](C2CC2)C1 ZINC000295266762 498961108 /nfs/dbraw/zinc/96/11/08/498961108.db2.gz GODQUDKCRVCMTD-LLVKDONJSA-N 1 1 371.359 3.170 20 5 FGBDMO O=C(NC1CC1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000366564183 498978877 /nfs/dbraw/zinc/97/88/77/498978877.db2.gz CAEAPEMNNGFNBU-UHFFFAOYSA-N 1 1 371.359 3.104 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000582072858 506127163 /nfs/dbraw/zinc/12/71/63/506127163.db2.gz LRDWFIQXBWKDMT-FLXZHSAZSA-N 1 1 359.470 3.185 20 5 FGBDMO C[NH+]1CCC(Oc2ccc(CNCc3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000284000580 499027852 /nfs/dbraw/zinc/02/78/52/499027852.db2.gz MOKQYFPARWNMHW-UHFFFAOYSA-N 1 1 355.438 3.358 20 5 FGBDMO COc1ccc([C@H](C[NH+](C)C)N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000284070253 499042284 /nfs/dbraw/zinc/04/22/84/499042284.db2.gz NBDXWGOXTLDQBX-UGSOOPFHSA-N 1 1 358.442 3.139 20 5 FGBDMO Cc1cc([C@H]2CCC[N@@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)no1 ZINC000372461005 499129982 /nfs/dbraw/zinc/12/99/82/499129982.db2.gz XLWTZQVKPOKFOD-MRXNPFEDSA-N 1 1 362.361 3.196 20 5 FGBDMO Cc1cc([C@H]2CCC[N@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)no1 ZINC000372461005 499129983 /nfs/dbraw/zinc/12/99/83/499129983.db2.gz XLWTZQVKPOKFOD-MRXNPFEDSA-N 1 1 362.361 3.196 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(CO)(Nc2ccccc2)CC1 ZINC000372581974 499148728 /nfs/dbraw/zinc/14/87/28/499148728.db2.gz FQANTJODLBUKNK-UHFFFAOYSA-N 1 1 371.437 3.042 20 5 FGBDMO CSc1cccc(C(=O)NCc2[nH+]c(C)n3c2CCCC3)c1[N+](=O)[O-] ZINC000370427981 499219755 /nfs/dbraw/zinc/21/97/55/499219755.db2.gz KWDQCRRMTVPAEH-UHFFFAOYSA-N 1 1 360.439 3.088 20 5 FGBDMO COc1cc(C[NH2+][C@H]2c3ccccc3CC[C@H]2CO)c([N+](=O)[O-])cc1F ZINC000370520086 499228171 /nfs/dbraw/zinc/22/81/71/499228171.db2.gz TZVPWOIFTYLYHS-ORAYPTAESA-N 1 1 360.385 3.128 20 5 FGBDMO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000367735709 499229394 /nfs/dbraw/zinc/22/93/94/499229394.db2.gz BXVHTBHIBHKDEY-NKGKWGDASA-N 1 1 370.453 3.211 20 5 FGBDMO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1 ZINC000367926857 499246354 /nfs/dbraw/zinc/24/63/54/499246354.db2.gz MHIINNKHJSAGLE-KUHUBIRLSA-N 1 1 371.441 3.026 20 5 FGBDMO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1 ZINC000367926857 499246356 /nfs/dbraw/zinc/24/63/56/499246356.db2.gz MHIINNKHJSAGLE-KUHUBIRLSA-N 1 1 371.441 3.026 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000370869140 499264554 /nfs/dbraw/zinc/26/45/54/499264554.db2.gz ILUMFEXZBKWZRB-HNNXBMFYSA-N 1 1 372.425 3.401 20 5 FGBDMO CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000371129787 499291379 /nfs/dbraw/zinc/29/13/79/499291379.db2.gz OCQINKGIWJXMIY-CQSZACIVSA-N 1 1 362.817 3.312 20 5 FGBDMO CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000371128402 499291580 /nfs/dbraw/zinc/29/15/80/499291580.db2.gz LAIVUHCAYNDARH-CYBMUJFWSA-N 1 1 362.817 3.312 20 5 FGBDMO C[N@@H+](C[C@@H]1CC12CCN(c1ncc([N+](=O)[O-])cc1Cl)CC2)C1CC1 ZINC000371339255 499312941 /nfs/dbraw/zinc/31/29/41/499312941.db2.gz OBSFDDUVPGWEQZ-LBPRGKRZSA-N 1 1 350.850 3.344 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000371447353 499327642 /nfs/dbraw/zinc/32/76/42/499327642.db2.gz KTSOBDUKMSGVQY-PMPSAXMXSA-N 1 1 361.442 3.060 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000371447353 499327644 /nfs/dbraw/zinc/32/76/44/499327644.db2.gz KTSOBDUKMSGVQY-PMPSAXMXSA-N 1 1 361.442 3.060 20 5 FGBDMO COCCn1ncc2c1[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)CCC2 ZINC000368857609 499340299 /nfs/dbraw/zinc/34/02/99/499340299.db2.gz WSBNVXMMEXYEMJ-INIZCTEOSA-N 1 1 364.833 3.258 20 5 FGBDMO COCc1nccc([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3C)C2)n1 ZINC000371889092 499375904 /nfs/dbraw/zinc/37/59/04/499375904.db2.gz VCJZROMCMJXLEG-INIZCTEOSA-N 1 1 356.426 3.219 20 5 FGBDMO Cc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000372272535 499415653 /nfs/dbraw/zinc/41/56/53/499415653.db2.gz IBKQVTAEWVCOKJ-QGZVFWFLSA-N 1 1 366.425 3.327 20 5 FGBDMO CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000372334150 499421976 /nfs/dbraw/zinc/42/19/76/499421976.db2.gz ZFIVAIKLUWZOLJ-AWEZNQCLSA-N 1 1 358.398 3.098 20 5 FGBDMO C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373246057 499459661 /nfs/dbraw/zinc/45/96/61/499459661.db2.gz NNWNMAZVQZUTNH-CYBMUJFWSA-N 1 1 368.397 3.239 20 5 FGBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](Cc3ccccc3OC(F)F)C2)c1 ZINC000373567552 499477237 /nfs/dbraw/zinc/47/72/37/499477237.db2.gz MQTIMSWBQDSUER-ZDUSSCGKSA-N 1 1 352.341 3.230 20 5 FGBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3ccccc3OC(F)F)C2)c1 ZINC000373567552 499477238 /nfs/dbraw/zinc/47/72/38/499477238.db2.gz MQTIMSWBQDSUER-ZDUSSCGKSA-N 1 1 352.341 3.230 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@H](O)c3ccccc3C2)cccc1[N+](=O)[O-] ZINC000378492772 499523857 /nfs/dbraw/zinc/52/38/57/499523857.db2.gz HWCDBRFVGODOLZ-IBGZPJMESA-N 1 1 369.421 3.171 20 5 FGBDMO COc1cc(N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c([N+](=O)[O-])cc1F ZINC000375731388 499549700 /nfs/dbraw/zinc/54/97/00/499549700.db2.gz MCBZRYNLQLANKL-LIRRHRJNSA-N 1 1 374.416 3.267 20 5 FGBDMO COCCn1cc2c(n1)[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)CCC2 ZINC000375845858 499561833 /nfs/dbraw/zinc/56/18/33/499561833.db2.gz CNWHRPISPJBVBR-RHSMWYFYSA-N 1 1 358.442 3.474 20 5 FGBDMO O=[N+]([O-])c1cnc(N2CCC[N@H+](C3CCCC3)CC2)c(Br)c1 ZINC000408352620 499585391 /nfs/dbraw/zinc/58/53/91/499585391.db2.gz SMIPQGZZPCOXRR-UHFFFAOYSA-N 1 1 369.263 3.207 20 5 FGBDMO O=C(CC[N@@H+]1CC=C(c2cccnc2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000376541209 499616617 /nfs/dbraw/zinc/61/66/17/499616617.db2.gz SFZGILOQEDTVCN-UHFFFAOYSA-N 1 1 352.394 3.108 20 5 FGBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)C[C@H]21 ZINC000376729115 499632500 /nfs/dbraw/zinc/63/25/00/499632500.db2.gz OELLTQSJEIVSFH-LKFCYVNXSA-N 1 1 358.225 3.068 20 5 FGBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000377056885 499657587 /nfs/dbraw/zinc/65/75/87/499657587.db2.gz NFOHNQPDGNLSGB-CABCVRRESA-N 1 1 361.445 3.038 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC000377183999 499668968 /nfs/dbraw/zinc/66/89/68/499668968.db2.gz VUTYVBIKKMQLDK-FXAWDEMLSA-N 1 1 371.485 3.152 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1CN(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000377183999 499668969 /nfs/dbraw/zinc/66/89/69/499668969.db2.gz VUTYVBIKKMQLDK-FXAWDEMLSA-N 1 1 371.485 3.152 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1CN(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000377183999 499668970 /nfs/dbraw/zinc/66/89/70/499668970.db2.gz VUTYVBIKKMQLDK-FXAWDEMLSA-N 1 1 371.485 3.152 20 5 FGBDMO Cc1cc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)ccc1-n1cncn1 ZINC000582194105 506155840 /nfs/dbraw/zinc/15/58/40/506155840.db2.gz RUWQYHFLTZIDJZ-UHFFFAOYSA-N 1 1 351.410 3.158 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[N@@H+](C)CC2)cc1OC ZINC000411153522 499703940 /nfs/dbraw/zinc/70/39/40/499703940.db2.gz JKLYLALIABAWBD-HNNXBMFYSA-N 1 1 365.474 3.166 20 5 FGBDMO Cc1cnn([C@@H]2CC[N@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)c1 ZINC000377759681 499729755 /nfs/dbraw/zinc/72/97/55/499729755.db2.gz IBAUEGDKPDWRNR-QGZVFWFLSA-N 1 1 353.382 3.202 20 5 FGBDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)c1 ZINC000377759681 499729756 /nfs/dbraw/zinc/72/97/56/499729756.db2.gz IBAUEGDKPDWRNR-QGZVFWFLSA-N 1 1 353.382 3.202 20 5 FGBDMO CC[C@@H](O)C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000411396745 499734054 /nfs/dbraw/zinc/73/40/54/499734054.db2.gz GHXYRWYSTBUVBB-LJQANCHMSA-N 1 1 371.437 3.197 20 5 FGBDMO COc1ccc(NC(=O)CC[N@H+]2CC(C)(C)[C@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000411770938 499788952 /nfs/dbraw/zinc/78/89/52/499788952.db2.gz NXPSEOGNRDABJA-GOEBONIOSA-N 1 1 361.442 3.443 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000411970842 499807606 /nfs/dbraw/zinc/80/76/06/499807606.db2.gz SFRQJJKFOARCRA-QRWLVFNGSA-N 1 1 353.422 3.093 20 5 FGBDMO Cc1c(Br)c(=O)n(C[C@@H]2CCCC[N@H+]2C(C)C)cc1[N+](=O)[O-] ZINC000413003977 499903881 /nfs/dbraw/zinc/90/38/81/499903881.db2.gz VTTAWBJZLIHZCS-LBPRGKRZSA-N 1 1 372.263 3.090 20 5 FGBDMO Cc1c(Br)c(=O)n(C[C@@H]2CCCC[N@@H+]2C(C)C)cc1[N+](=O)[O-] ZINC000413003977 499903883 /nfs/dbraw/zinc/90/38/83/499903883.db2.gz VTTAWBJZLIHZCS-LBPRGKRZSA-N 1 1 372.263 3.090 20 5 FGBDMO C[C@H]1CN(C(=O)NCc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000413088943 499912209 /nfs/dbraw/zinc/91/22/09/499912209.db2.gz VYJCSHKEWLDSLO-INIZCTEOSA-N 1 1 368.437 3.011 20 5 FGBDMO C[C@H]1CN(C(=O)NCc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000413088943 499912211 /nfs/dbraw/zinc/91/22/11/499912211.db2.gz VYJCSHKEWLDSLO-INIZCTEOSA-N 1 1 368.437 3.011 20 5 FGBDMO Cn1cc[nH+]c1C[C@H]1CCCN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413213189 499927787 /nfs/dbraw/zinc/92/77/87/499927787.db2.gz YCDZGQDMGRTKBS-CQSZACIVSA-N 1 1 351.410 3.336 20 5 FGBDMO C[C@@]12CCC[N@H+]1C[C@H](c1noc(-c3cc(Cl)cc([N+](=O)[O-])c3)n1)OC2 ZINC000570436008 506167340 /nfs/dbraw/zinc/16/73/40/506167340.db2.gz WOVBOOHCANYDFI-CJNGLKHVSA-N 1 1 364.789 3.224 20 5 FGBDMO CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000573307374 506168121 /nfs/dbraw/zinc/16/81/21/506168121.db2.gz MNXHVRPVGCCMTR-RHSMWYFYSA-N 1 1 356.426 3.148 20 5 FGBDMO Cc1nn(Cc2ccc(C[NH+]3CCOCC3)cc2)c2ccc([N+](=O)[O-])cc12 ZINC000421211116 499993006 /nfs/dbraw/zinc/99/30/06/499993006.db2.gz HRROXNKHGOKWJY-UHFFFAOYSA-N 1 1 366.421 3.133 20 5 FGBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](CSC)C2)c([N+](=O)[O-])c1 ZINC000429271770 500039329 /nfs/dbraw/zinc/03/93/29/500039329.db2.gz BLSJSGAPBPTEMU-STQMWFEESA-N 1 1 367.471 3.005 20 5 FGBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](CSC)C2)c([N+](=O)[O-])c1 ZINC000429271770 500039333 /nfs/dbraw/zinc/03/93/33/500039333.db2.gz BLSJSGAPBPTEMU-STQMWFEESA-N 1 1 367.471 3.005 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H](c3ncc[nH]3)c3cccnc3)c2c1 ZINC000570479497 506176584 /nfs/dbraw/zinc/17/65/84/506176584.db2.gz ACYWENMLCNEFJQ-GOSISDBHSA-N 1 1 362.393 3.116 20 5 FGBDMO C[N@H+]1CCCC12CCN(Cc1ccc(Br)cc1[N+](=O)[O-])CC2 ZINC000425454276 500111064 /nfs/dbraw/zinc/11/10/64/500111064.db2.gz GIRMODLHOYAYQK-UHFFFAOYSA-N 1 1 368.275 3.418 20 5 FGBDMO C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C[C@H]1CCCC[C@@H]1O ZINC000425457561 500111886 /nfs/dbraw/zinc/11/18/86/500111886.db2.gz LHHUXNRZYGYSAD-DOMZBBRYSA-N 1 1 357.248 3.340 20 5 FGBDMO COC(=O)[C@H](CC[N@@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000425458785 500111952 /nfs/dbraw/zinc/11/19/52/500111952.db2.gz NXBTUGXAVNESAG-GOSISDBHSA-N 1 1 356.422 3.416 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC(OC4CCC4)CC3)n2)c1 ZINC000419286404 500349886 /nfs/dbraw/zinc/34/98/86/500349886.db2.gz OGQYBQVWJUZUBR-UHFFFAOYSA-N 1 1 358.398 3.178 20 5 FGBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000427481421 500397802 /nfs/dbraw/zinc/39/78/02/500397802.db2.gz QQXKUJPKGQFDBY-LLVKDONJSA-N 1 1 359.879 3.185 20 5 FGBDMO CC(C)(NC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000431668536 500406262 /nfs/dbraw/zinc/40/62/62/500406262.db2.gz ZAFHGHDDGXRHHS-KRWDZBQOSA-N 1 1 374.485 3.394 20 5 FGBDMO CC[N@H+]1CCCC[C@@H]1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000427593236 500409464 /nfs/dbraw/zinc/40/94/64/500409464.db2.gz JGCNMNLCOQDLTO-CQSZACIVSA-N 1 1 359.348 3.104 20 5 FGBDMO C[C@@H]1C[C@@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000420594322 500475793 /nfs/dbraw/zinc/47/57/93/500475793.db2.gz DIBVCCWEPQFIKT-ZBFHGGJFSA-N 1 1 368.437 3.159 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420594294 500476008 /nfs/dbraw/zinc/47/60/08/500476008.db2.gz DCHGORIOHNCGBG-RHSMWYFYSA-N 1 1 368.437 3.016 20 5 FGBDMO C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)[C@@H](C(N)=O)C1 ZINC000428456946 500512765 /nfs/dbraw/zinc/51/27/65/500512765.db2.gz GJPBBQNAHCVICI-MLGOLLRUSA-N 1 1 359.451 3.409 20 5 FGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C(N)=O)[C@@H](C)c1ccccc1 ZINC000428860718 500567071 /nfs/dbraw/zinc/56/70/71/500567071.db2.gz MSBPNVGSRDNLMU-LIRRHRJNSA-N 1 1 371.437 3.129 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433055030 500614306 /nfs/dbraw/zinc/61/43/06/500614306.db2.gz XCCBXHMUTCTTIQ-ROUUACIJSA-N 1 1 356.422 3.214 20 5 FGBDMO CCc1ccc([C@@H]2CC[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000433072045 500619196 /nfs/dbraw/zinc/61/91/96/500619196.db2.gz MVFKFIYKVAGUCV-UYAOXDASSA-N 1 1 370.449 3.386 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@H](C)[C@H]2CO)cc1OC ZINC000442882215 500639376 /nfs/dbraw/zinc/63/93/76/500639376.db2.gz COVADPGIHGACNN-GRDNDAEWSA-N 1 1 366.458 3.231 20 5 FGBDMO COc1cc(N2CCC(Oc3cc[nH+]cc3C)CC2)c([N+](=O)[O-])cc1F ZINC000447695649 500647412 /nfs/dbraw/zinc/64/74/12/500647412.db2.gz XZKXQXNBEGESTB-UHFFFAOYSA-N 1 1 361.373 3.494 20 5 FGBDMO O=C(Cc1ccc([N+](=O)[O-])cc1F)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437834002 500703668 /nfs/dbraw/zinc/70/36/68/500703668.db2.gz MWWOWOKKCYPIFM-QGZVFWFLSA-N 1 1 363.433 3.190 20 5 FGBDMO C[C@@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[N@H+]1CC(C)(C)O ZINC000438349580 500775064 /nfs/dbraw/zinc/77/50/64/500775064.db2.gz YWHURGNJMATYRJ-OAHLLOKOSA-N 1 1 373.453 3.132 20 5 FGBDMO CN(C(=O)C[N@H+]1CC[C@](C)(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000438494735 500792989 /nfs/dbraw/zinc/79/29/89/500792989.db2.gz FXBIZUWFWVTCNS-FQEVSTJZSA-N 1 1 353.422 3.221 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CCSC(C)(C)CC2)cccc1[N+](=O)[O-] ZINC000434680216 500878710 /nfs/dbraw/zinc/87/87/10/500878710.db2.gz SXKKJJBGFXHWCM-UHFFFAOYSA-N 1 1 351.472 3.449 20 5 FGBDMO CN(C)c1cc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc[nH+]1 ZINC000445001278 500931182 /nfs/dbraw/zinc/93/11/82/500931182.db2.gz SUOCCUSWXGXTAG-UHFFFAOYSA-N 1 1 358.401 3.395 20 5 FGBDMO CCOCCCN1CC[C@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000449139858 500933085 /nfs/dbraw/zinc/93/30/85/500933085.db2.gz LZBMRKAVFHWFCN-AOIWGVFYSA-N 1 1 363.502 3.252 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000439884067 500950457 /nfs/dbraw/zinc/95/04/57/500950457.db2.gz VUGNOFASLWGOIP-UONOGXRCSA-N 1 1 364.446 3.235 20 5 FGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ncn(Cc2cccc(F)c2)n1 ZINC000449262095 500960332 /nfs/dbraw/zinc/96/03/32/500960332.db2.gz BMOYLSHAFMUHES-AWEZNQCLSA-N 1 1 369.400 3.095 20 5 FGBDMO COc1ccc(C[N@@H+](C)C2CCN(CC(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000445254975 500961290 /nfs/dbraw/zinc/96/12/90/500961290.db2.gz RNELKBSRBODWOG-UHFFFAOYSA-N 1 1 361.364 3.062 20 5 FGBDMO Cn1cc(C[N@@H+](C)[C@H](CO)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449449127 501005445 /nfs/dbraw/zinc/00/54/45/501005445.db2.gz BXYXYCCLPQSYBE-LJQANCHMSA-N 1 1 366.421 3.161 20 5 FGBDMO CN(C)C(=O)c1ccc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000449495117 501017963 /nfs/dbraw/zinc/01/79/63/501017963.db2.gz CDDRSXKXUBRADS-HNNXBMFYSA-N 1 1 356.426 3.004 20 5 FGBDMO O=C1COc2ccc(C[N@@H+]3CCC[C@H](c4ccc([N+](=O)[O-])cc4)C3)cc2N1 ZINC000449506593 501020488 /nfs/dbraw/zinc/02/04/88/501020488.db2.gz ZDEBIGAIUSJYNZ-INIZCTEOSA-N 1 1 367.405 3.305 20 5 FGBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436075899 501066359 /nfs/dbraw/zinc/06/63/59/501066359.db2.gz OLRBAUKXSKYIEN-HOTGVXAUSA-N 1 1 361.445 3.038 20 5 FGBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436075900 501066698 /nfs/dbraw/zinc/06/66/98/501066698.db2.gz OLRBAUKXSKYIEN-HZPDHXFCSA-N 1 1 361.445 3.038 20 5 FGBDMO CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000449745853 501073999 /nfs/dbraw/zinc/07/39/99/501073999.db2.gz PJKGJFVDDDRRIN-OAHLLOKOSA-N 1 1 372.425 3.090 20 5 FGBDMO CCc1[nH+]ccn1[C@H](C)CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000592766966 506233486 /nfs/dbraw/zinc/23/34/86/506233486.db2.gz JNTSWMREFMSYNP-OAHLLOKOSA-N 1 1 358.442 3.444 20 5 FGBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000450540470 501148991 /nfs/dbraw/zinc/14/89/91/501148991.db2.gz AFACHZBFWIMEPA-LJQANCHMSA-N 1 1 356.426 3.074 20 5 FGBDMO Cc1cc(N2CC[N@H+](C3CC3)C[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450546386 501150912 /nfs/dbraw/zinc/15/09/12/501150912.db2.gz HFVHAOKLYYGWDP-CQSZACIVSA-N 1 1 367.453 3.281 20 5 FGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCCOc1ccc3c(c1)OCO3)CC2 ZINC000446734948 501158782 /nfs/dbraw/zinc/15/87/82/501158782.db2.gz HULINRVTYDCSMW-UHFFFAOYSA-N 1 1 356.378 3.151 20 5 FGBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@H](CO)c1ccc(Cl)cc1 ZINC000451327629 501266027 /nfs/dbraw/zinc/26/60/27/501266027.db2.gz SNMAEODSWPOMCO-MRXNPFEDSA-N 1 1 350.802 3.292 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CCC[C@@H]3O)o2)cc1 ZINC000451335320 501268626 /nfs/dbraw/zinc/26/86/26/501268626.db2.gz CYYRNOALZVXKJF-BBWFWOEESA-N 1 1 372.425 3.160 20 5 FGBDMO COc1c(C)c[nH+]c(CN(C)[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c1C ZINC000451373933 501277975 /nfs/dbraw/zinc/27/79/75/501277975.db2.gz JQOUIZRTIWDULM-CQSZACIVSA-N 1 1 372.425 3.074 20 5 FGBDMO COC(=O)c1c(Cl)c(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000596082128 506247159 /nfs/dbraw/zinc/24/71/59/506247159.db2.gz GYDRFTWPJNSEHA-WDEREUQCSA-N 1 1 353.806 3.074 20 5 FGBDMO Cc1c(C[N@@H+](CCC(N)=O)[C@H]2CCOc3ccccc32)cccc1[N+](=O)[O-] ZINC000451721835 501360130 /nfs/dbraw/zinc/36/01/30/501360130.db2.gz GUWFAHBQLPLTLR-SFHVURJKSA-N 1 1 369.421 3.104 20 5 FGBDMO C[N@H+]1CCC[C@@H](CCNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000458174460 501384613 /nfs/dbraw/zinc/38/46/13/501384613.db2.gz SMJREIBQLBCEAK-ZDUSSCGKSA-N 1 1 374.466 3.180 20 5 FGBDMO COc1ccc(OCC[N@H+]2CCC[C@@]3(CCSC3)C2)c([N+](=O)[O-])c1 ZINC000451961227 501408990 /nfs/dbraw/zinc/40/89/90/501408990.db2.gz DDYQQPNNZUMCGN-QGZVFWFLSA-N 1 1 352.456 3.201 20 5 FGBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(F)(F)F)CC1 ZINC000452123964 501441226 /nfs/dbraw/zinc/44/12/26/501441226.db2.gz WTRGHCOUUKGYOS-UHFFFAOYSA-N 1 1 359.392 3.486 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000452172358 501452386 /nfs/dbraw/zinc/45/23/86/501452386.db2.gz WJXNNKAWMAWULL-KGLIPLIRSA-N 1 1 363.483 3.018 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000456317582 501496363 /nfs/dbraw/zinc/49/63/63/501496363.db2.gz AWEZJNRDXFKJGI-INIZCTEOSA-N 1 1 367.449 3.497 20 5 FGBDMO C[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456324298 501498023 /nfs/dbraw/zinc/49/80/23/501498023.db2.gz FGDLZLIUMYXQLN-AWEZNQCLSA-N 1 1 359.451 3.250 20 5 FGBDMO C[C@@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[N@H+](C2CC2)C1 ZINC000452571149 501524862 /nfs/dbraw/zinc/52/48/62/501524862.db2.gz NNFCDHHLBHJANO-AWEZNQCLSA-N 1 1 359.470 3.449 20 5 FGBDMO C[NH+](C)[C@@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)c1ccccc1Cl ZINC000611699465 506261475 /nfs/dbraw/zinc/26/14/75/506261475.db2.gz CKBMHOSXVCXTQV-KRWDZBQOSA-N 1 1 371.828 3.328 20 5 FGBDMO O=[N+]([O-])c1cccc(Br)c1N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000596106483 506261685 /nfs/dbraw/zinc/26/16/85/506261685.db2.gz AQZGDPMUSJFOAQ-JTQLQIEISA-N 1 1 351.204 3.464 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611700128 506262007 /nfs/dbraw/zinc/26/20/07/506262007.db2.gz DNAWOFBSEUQWPO-GASCZTMLSA-N 1 1 357.458 3.130 20 5 FGBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000459160757 501606280 /nfs/dbraw/zinc/60/62/80/501606280.db2.gz OXQDZSNXWLDABU-UHFFFAOYSA-N 1 1 362.474 3.389 20 5 FGBDMO C[N@@H+](CCCCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])C1CC1 ZINC000457173025 501661915 /nfs/dbraw/zinc/66/19/15/501661915.db2.gz VFWOGUNXKIQNPH-UHFFFAOYSA-N 1 1 359.348 3.218 20 5 FGBDMO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454980144 501665915 /nfs/dbraw/zinc/66/59/15/501665915.db2.gz WDFRQUADTPEFOJ-RDJZCZTQSA-N 1 1 362.474 3.213 20 5 FGBDMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1nc2c(s1)CCC2 ZINC000459637397 501690713 /nfs/dbraw/zinc/69/07/13/501690713.db2.gz RQTNELFOWSLWEF-WDEREUQCSA-N 1 1 360.439 3.218 20 5 FGBDMO CCCN(C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])[C@H]1CC[N@@H+](C)C1 ZINC000592829573 506269398 /nfs/dbraw/zinc/26/93/98/506269398.db2.gz QTAOATAMRXJBKE-INIZCTEOSA-N 1 1 368.437 3.213 20 5 FGBDMO C[C@@H](CNc1ncc([N+](=O)[O-])cc1Br)[N@H+]1CCCC[C@@H]1C ZINC000485178153 501748731 /nfs/dbraw/zinc/74/87/31/501748731.db2.gz MOOCUYOOWACASX-QWRGUYRKSA-N 1 1 357.252 3.427 20 5 FGBDMO COCC[C@@H]1CCCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000467265870 501751580 /nfs/dbraw/zinc/75/15/80/501751580.db2.gz ZJIUDFIPRYZSKI-INIZCTEOSA-N 1 1 363.458 3.370 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](OCc2ccccn2)C1 ZINC000602716113 506271705 /nfs/dbraw/zinc/27/17/05/506271705.db2.gz SXBATNPACCJIKV-SFHVURJKSA-N 1 1 357.410 3.180 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](OCc2ccccn2)C1 ZINC000602716113 506271709 /nfs/dbraw/zinc/27/17/09/506271709.db2.gz SXBATNPACCJIKV-SFHVURJKSA-N 1 1 357.410 3.180 20 5 FGBDMO CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470676582 501763648 /nfs/dbraw/zinc/76/36/48/501763648.db2.gz DKGPOTASNDMTAW-GOSISDBHSA-N 1 1 371.412 3.471 20 5 FGBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@H](O)C[C@@H]3c3ccccc3)nc2c1 ZINC000602731607 506279011 /nfs/dbraw/zinc/27/90/11/506279011.db2.gz ODDJYYWTXWCRJP-DOTOQJQBSA-N 1 1 353.378 3.434 20 5 FGBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@H](O)C[C@@H]3c3ccccc3)nc2c1 ZINC000602731607 506279014 /nfs/dbraw/zinc/27/90/14/506279014.db2.gz ODDJYYWTXWCRJP-DOTOQJQBSA-N 1 1 353.378 3.434 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)ccc1[N+](=O)[O-] ZINC000485568521 501862938 /nfs/dbraw/zinc/86/29/38/501862938.db2.gz KBOLXQGIYGFMNH-OAHLLOKOSA-N 1 1 367.409 3.026 20 5 FGBDMO Cc1ccc([C@@H]2CC[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)c(C)c1 ZINC000471019007 501892869 /nfs/dbraw/zinc/89/28/69/501892869.db2.gz NTOIPBBWQCRUIZ-MSOLQXFVSA-N 1 1 370.449 3.441 20 5 FGBDMO C[C@H]1CC[C@@H](C[NH+]2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)O1 ZINC000475050031 502037033 /nfs/dbraw/zinc/03/70/33/502037033.db2.gz UBUQESNQVWUYPW-JSGCOSHPSA-N 1 1 373.375 3.303 20 5 FGBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000461259231 502054652 /nfs/dbraw/zinc/05/46/52/502054652.db2.gz SRNKCBICMLJLQK-AWEZNQCLSA-N 1 1 353.850 3.124 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2C[C@H](C)CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000475109480 502062877 /nfs/dbraw/zinc/06/28/77/502062877.db2.gz AWSBJUKAUBTISI-CYBMUJFWSA-N 1 1 350.415 3.015 20 5 FGBDMO C[N@H+]1C[C@@H](CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000592883145 506291222 /nfs/dbraw/zinc/29/12/22/506291222.db2.gz XUOXWTASQSADLW-CABCVRRESA-N 1 1 373.840 3.323 20 5 FGBDMO CSc1cccc(C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000486228016 502090778 /nfs/dbraw/zinc/09/07/78/502090778.db2.gz PGBCGMVZUWRQSP-BETUJISGSA-N 1 1 351.472 3.309 20 5 FGBDMO C[C@H]1C[C@@H](CCNc2cc[nH]c(=O)c2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000596173643 506293201 /nfs/dbraw/zinc/29/32/01/506293201.db2.gz ZOVHUZJPJSZFPM-GOEBONIOSA-N 1 1 356.426 3.408 20 5 FGBDMO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C1=CC[N@@H+](C)CC1 ZINC000475229537 502105573 /nfs/dbraw/zinc/10/55/73/502105573.db2.gz FQTJZNAWWVIFKB-SNVBAGLBSA-N 1 1 372.347 3.386 20 5 FGBDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1(C)C ZINC000464831094 502110332 /nfs/dbraw/zinc/11/03/32/502110332.db2.gz RLVFMPOZFHXVDF-APWZRJJASA-N 1 1 363.458 3.367 20 5 FGBDMO CN(CCOc1cccc([N+](=O)[O-])c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464834093 502111730 /nfs/dbraw/zinc/11/17/30/502111730.db2.gz FWPPPTPRRLPJRS-LJQANCHMSA-N 1 1 369.465 3.428 20 5 FGBDMO C[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](c2ccco2)C1 ZINC000464856944 502124607 /nfs/dbraw/zinc/12/46/07/502124607.db2.gz NDBYFBSSDPPXPS-HFTRVMKXSA-N 1 1 360.410 3.401 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+](CCCO)[C@@H]3CCc4ccccc43)nc2c1 ZINC000482689543 502153118 /nfs/dbraw/zinc/15/31/18/502153118.db2.gz FWEZLFTVDHCGCS-LJQANCHMSA-N 1 1 366.421 3.343 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+](CCCO)[C@@H]3CCc4ccccc43)nc2c1 ZINC000482689543 502153120 /nfs/dbraw/zinc/15/31/20/502153120.db2.gz FWEZLFTVDHCGCS-LJQANCHMSA-N 1 1 366.421 3.343 20 5 FGBDMO Cc1cc(NC2CC[NH+](CCN(C)C)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461773647 502197594 /nfs/dbraw/zinc/19/75/94/502197594.db2.gz GJUZYBNTNMUBRA-UHFFFAOYSA-N 1 1 374.407 3.360 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@@H]2CCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000475561044 502213202 /nfs/dbraw/zinc/21/32/02/502213202.db2.gz PZHFPCDOPALVSU-CQSZACIVSA-N 1 1 350.415 3.157 20 5 FGBDMO Cc1cc(NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c(F)cc1[N+](=O)[O-] ZINC000461939162 502245089 /nfs/dbraw/zinc/24/50/89/502245089.db2.gz FTXMPAZOFGGZLU-HZPDHXFCSA-N 1 1 359.401 3.090 20 5 FGBDMO Cc1cc(NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c(F)cc1[N+](=O)[O-] ZINC000461939159 502245477 /nfs/dbraw/zinc/24/54/77/502245477.db2.gz FTXMPAZOFGGZLU-HOTGVXAUSA-N 1 1 359.401 3.090 20 5 FGBDMO O=[N+]([O-])c1cnn(CC[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCCC2)c1 ZINC000472234667 502279210 /nfs/dbraw/zinc/27/92/10/502279210.db2.gz WWYDQUDCJZRYPL-UHFFFAOYSA-N 1 1 372.425 3.355 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CCC2CCCCC2)CC1 ZINC000483278387 502337023 /nfs/dbraw/zinc/33/70/23/502337023.db2.gz BZMJSWMIGMHYPM-UHFFFAOYSA-N 1 1 351.472 3.385 20 5 FGBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000465871957 502409263 /nfs/dbraw/zinc/40/92/63/502409263.db2.gz NWEBPPBNHQXTFP-QGZVFWFLSA-N 1 1 362.474 3.091 20 5 FGBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c[nH+]ccc1-n1cccn1 ZINC000462497097 502464966 /nfs/dbraw/zinc/46/49/66/502464966.db2.gz XUBRGHMSZPOZBJ-HNNXBMFYSA-N 1 1 365.393 3.383 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000480206303 502502112 /nfs/dbraw/zinc/50/21/12/502502112.db2.gz ZXFYBRMMXRHTEI-MRXNPFEDSA-N 1 1 369.421 3.422 20 5 FGBDMO C[C@@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000487861136 502549328 /nfs/dbraw/zinc/54/93/28/502549328.db2.gz QUBOIGZCSJQAGN-GJZGRUSLSA-N 1 1 362.474 3.392 20 5 FGBDMO C[C@@H](NC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000488004430 502596226 /nfs/dbraw/zinc/59/62/26/502596226.db2.gz AOUONQFODAXUAJ-HUUCEWRRSA-N 1 1 360.458 3.172 20 5 FGBDMO C[C@@H](NC(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000488006504 502597344 /nfs/dbraw/zinc/59/73/44/502597344.db2.gz GGUQAXCNXASSSD-LUXYFRNMSA-N 1 1 360.458 3.028 20 5 FGBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000488073968 502619098 /nfs/dbraw/zinc/61/90/98/502619098.db2.gz MQPARTKIHCEQRO-LSDHHAIUSA-N 1 1 362.474 3.250 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000462934530 502631744 /nfs/dbraw/zinc/63/17/44/502631744.db2.gz HDWIAFNFGXGVFC-LZLYRXPVSA-N 1 1 361.486 3.400 20 5 FGBDMO O=C(C[N@@H+]1CCC[C@]2(CCCOC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000477052730 502661908 /nfs/dbraw/zinc/66/19/08/502661908.db2.gz WNMNRYBVJLRTSF-KRWDZBQOSA-N 1 1 367.833 3.079 20 5 FGBDMO O=C(C[N@H+]1CCC[C@]2(CCCOC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000477052730 502661910 /nfs/dbraw/zinc/66/19/10/502661910.db2.gz WNMNRYBVJLRTSF-KRWDZBQOSA-N 1 1 367.833 3.079 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000463032181 502667297 /nfs/dbraw/zinc/66/72/97/502667297.db2.gz XQHBCXXBOFYKPI-HXUWFJFHSA-N 1 1 356.422 3.130 20 5 FGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000470170775 502692194 /nfs/dbraw/zinc/69/21/94/502692194.db2.gz AFJVQUACAJTAMJ-XOQYZJNISA-N 1 1 357.454 3.333 20 5 FGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](CCC(N)=O)Cc1ccccc1 ZINC000470177018 502696023 /nfs/dbraw/zinc/69/60/23/502696023.db2.gz OHNAEHUKVQNQRG-VBKFSLOCSA-N 1 1 353.422 3.376 20 5 FGBDMO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000470204499 502704922 /nfs/dbraw/zinc/70/49/22/502704922.db2.gz VNZTYYOOVWEVMS-RVDMUPIBSA-N 1 1 367.453 3.421 20 5 FGBDMO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470215652 502706661 /nfs/dbraw/zinc/70/66/61/502706661.db2.gz XASARDNKIDVSLM-VECLJIIPSA-N 1 1 362.426 3.041 20 5 FGBDMO CC[C@@H]1Cc2ccccc2C[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000466945924 502736076 /nfs/dbraw/zinc/73/60/76/502736076.db2.gz GGJHOFIAHSWQAW-MJGOQNOKSA-N 1 1 356.422 3.171 20 5 FGBDMO CC[N@H+](C[C@H]1CCCO1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000488702847 502786168 /nfs/dbraw/zinc/78/61/68/502786168.db2.gz SDUAQDWNXBQYKM-DGCLKSJQSA-N 1 1 355.822 3.076 20 5 FGBDMO CC[N@@H+](C[C@H]1CCCO1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000488702847 502786172 /nfs/dbraw/zinc/78/61/72/502786172.db2.gz SDUAQDWNXBQYKM-DGCLKSJQSA-N 1 1 355.822 3.076 20 5 FGBDMO C[N@H+]1CC[C@]2(CCN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)C2)C1 ZINC000488721014 502790385 /nfs/dbraw/zinc/79/03/85/502790385.db2.gz ZZVXAPYGSUBIOB-IBGZPJMESA-N 1 1 356.401 3.328 20 5 FGBDMO C[N@H+]1CC[C@@]2(CCN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)C2)C1 ZINC000488721015 502790501 /nfs/dbraw/zinc/79/05/01/502790501.db2.gz ZZVXAPYGSUBIOB-LJQANCHMSA-N 1 1 356.401 3.328 20 5 FGBDMO COCC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@H]1CC=CCC1 ZINC000485103942 502815839 /nfs/dbraw/zinc/81/58/39/502815839.db2.gz FSQPHZRKPGTWBR-HNNXBMFYSA-N 1 1 372.425 3.450 20 5 FGBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000488825918 502819987 /nfs/dbraw/zinc/81/99/87/502819987.db2.gz OKXFDWCNPLDBOV-OAHLLOKOSA-N 1 1 362.474 3.250 20 5 FGBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000488924178 502839172 /nfs/dbraw/zinc/83/91/72/502839172.db2.gz YLJGSTRVVWQRJC-GASCZTMLSA-N 1 1 362.474 3.392 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H]2c2c(C)n[nH]c2C)c1 ZINC000593020693 506341958 /nfs/dbraw/zinc/34/19/58/506341958.db2.gz OTKMAJLFFWQWQM-INIZCTEOSA-N 1 1 358.398 3.058 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H]2c2c(C)n[nH]c2C)c1 ZINC000593020693 506341963 /nfs/dbraw/zinc/34/19/63/506341963.db2.gz OTKMAJLFFWQWQM-INIZCTEOSA-N 1 1 358.398 3.058 20 5 FGBDMO CCc1ccc([C@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)CC[NH2+]2)cc1 ZINC000505525069 502926938 /nfs/dbraw/zinc/92/69/38/502926938.db2.gz ZCFVCSGEWVGICN-GOSISDBHSA-N 1 1 353.422 3.252 20 5 FGBDMO CC[N@H+](CCCO)[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000489399673 502948582 /nfs/dbraw/zinc/94/85/82/502948582.db2.gz YXODJVDSQYDRLY-IBGZPJMESA-N 1 1 371.437 3.287 20 5 FGBDMO CC[N@@H+](CCCO)[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000489399673 502948586 /nfs/dbraw/zinc/94/85/86/502948586.db2.gz YXODJVDSQYDRLY-IBGZPJMESA-N 1 1 371.437 3.287 20 5 FGBDMO CCOc1ccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1OC ZINC000505606120 502948630 /nfs/dbraw/zinc/94/86/30/502948630.db2.gz VDDBNAGDSYXMST-UHFFFAOYSA-N 1 1 371.437 3.324 20 5 FGBDMO CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(=O)NCc1ccc(F)cc1 ZINC000505636354 502955472 /nfs/dbraw/zinc/95/54/72/502955472.db2.gz NMWNWNMGNLDJBM-FNORWQNLSA-N 1 1 371.412 3.385 20 5 FGBDMO CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(=O)NCc1ccc(F)cc1 ZINC000505636354 502955475 /nfs/dbraw/zinc/95/54/75/502955475.db2.gz NMWNWNMGNLDJBM-FNORWQNLSA-N 1 1 371.412 3.385 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000489446615 502960285 /nfs/dbraw/zinc/96/02/85/502960285.db2.gz ISIOOCQJEDPGCR-ZBFHGGJFSA-N 1 1 374.485 3.480 20 5 FGBDMO CC[N@H+]1C[C@@H](C)N(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C ZINC000497535063 502981798 /nfs/dbraw/zinc/98/17/98/502981798.db2.gz SZUDDBMKIPELTO-HUUCEWRRSA-N 1 1 355.442 3.279 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC000505798390 502988511 /nfs/dbraw/zinc/98/85/11/502988511.db2.gz BKKTXBUNJTYYEX-CYBMUJFWSA-N 1 1 351.472 3.169 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000505804898 502989502 /nfs/dbraw/zinc/98/95/02/502989502.db2.gz IMIRGGNWVPKXDH-KGLIPLIRSA-N 1 1 363.483 3.454 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCCN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000514086879 503083875 /nfs/dbraw/zinc/08/38/75/503083875.db2.gz DKIRWULKWAAOJU-QFBILLFUSA-N 1 1 371.485 3.272 20 5 FGBDMO CC(C)c1ccc(C[N@H+]2CCCC[C@H]2CN2CCOCC2)cc1[N+](=O)[O-] ZINC000514095949 503086131 /nfs/dbraw/zinc/08/61/31/503086131.db2.gz UFRLXUDNJSUAPS-SFHVURJKSA-N 1 1 361.486 3.405 20 5 FGBDMO Cc1c(Br)c(NC[C@@H]2CC[N@H+](C(C)(C)C)C2)ncc1[N+](=O)[O-] ZINC000596309368 506351264 /nfs/dbraw/zinc/35/12/64/506351264.db2.gz ZWYPAMIECRZTHY-NSHDSACASA-N 1 1 371.279 3.015 20 5 FGBDMO O=[N+]([O-])c1cc(Br)cnc1NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000599166732 506355995 /nfs/dbraw/zinc/35/59/95/506355995.db2.gz ZIMLZTAVJQQUDL-GFCCVEGCSA-N 1 1 355.236 3.181 20 5 FGBDMO Cc1nc(C(C)C)ccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000514801227 503196679 /nfs/dbraw/zinc/19/66/79/503196679.db2.gz OBSNZLBGHSBEJH-UHFFFAOYSA-N 1 1 355.442 3.139 20 5 FGBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@@H]1C ZINC000498573913 503216801 /nfs/dbraw/zinc/21/68/01/503216801.db2.gz FRTOJOKAJRHTEX-QWRGUYRKSA-N 1 1 359.348 3.168 20 5 FGBDMO CC[C@H]([NH2+]Cc1cc(S(C)(=O)=O)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000502525638 503217949 /nfs/dbraw/zinc/21/79/49/503217949.db2.gz CJAVWPHHZSFWQG-KRWDZBQOSA-N 1 1 366.414 3.378 20 5 FGBDMO Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511071845 503246639 /nfs/dbraw/zinc/24/66/39/503246639.db2.gz INJQXDKVZGAMAA-QGZVFWFLSA-N 1 1 369.465 3.425 20 5 FGBDMO Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511071845 503246644 /nfs/dbraw/zinc/24/66/44/503246644.db2.gz INJQXDKVZGAMAA-QGZVFWFLSA-N 1 1 369.465 3.425 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000491114652 503274637 /nfs/dbraw/zinc/27/46/37/503274637.db2.gz ACOFJRJVZYNUGW-HKUYNNGSSA-N 1 1 367.449 3.434 20 5 FGBDMO C[N@H+](CCc1cccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1)C1CC1 ZINC000507330501 503278285 /nfs/dbraw/zinc/27/82/85/503278285.db2.gz NHWJSOQMXQSXEY-UHFFFAOYSA-N 1 1 355.394 3.189 20 5 FGBDMO C[N@@H+](CCc1cccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1)C1CC1 ZINC000507330501 503278290 /nfs/dbraw/zinc/27/82/90/503278290.db2.gz NHWJSOQMXQSXEY-UHFFFAOYSA-N 1 1 355.394 3.189 20 5 FGBDMO CCc1cc(N[C@@H](C)C2=CC[N@@H+](C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000511376049 503309778 /nfs/dbraw/zinc/30/97/78/503309778.db2.gz FTSJRZWPCMZPSV-AWEZNQCLSA-N 1 1 367.453 3.098 20 5 FGBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000503007292 503322712 /nfs/dbraw/zinc/32/27/12/503322712.db2.gz CUFYSZYCOWQIIU-INIZCTEOSA-N 1 1 362.474 3.168 20 5 FGBDMO CC[N@H+]1C[C@@H](C)N(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1C ZINC000499565938 503432699 /nfs/dbraw/zinc/43/26/99/503432699.db2.gz VVNWSLCOXLGZLM-GHMZBOCLSA-N 1 1 372.372 3.143 20 5 FGBDMO CC(C)(NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000516582560 503542824 /nfs/dbraw/zinc/54/28/24/503542824.db2.gz RNFLIEQJYZDICE-QGZVFWFLSA-N 1 1 367.449 3.468 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000494655874 503586229 /nfs/dbraw/zinc/58/62/29/503586229.db2.gz SJELCGWBQLUIKL-UHFFFAOYSA-N 1 1 371.437 3.374 20 5 FGBDMO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000495061525 503654268 /nfs/dbraw/zinc/65/42/68/503654268.db2.gz TVGMGVXIUUBVRP-AWEZNQCLSA-N 1 1 350.415 3.027 20 5 FGBDMO CC(C)OCC[NH+]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000536659756 503665373 /nfs/dbraw/zinc/66/53/73/503665373.db2.gz VTZQRGMBAQOHHJ-UHFFFAOYSA-N 1 1 373.453 3.397 20 5 FGBDMO CC[C@@H](C)[C@H]1CCCC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000543205962 503678503 /nfs/dbraw/zinc/67/85/03/503678503.db2.gz FFMXUPQDBUBSGM-RHSMWYFYSA-N 1 1 354.472 3.269 20 5 FGBDMO CC[C@@H](C)[C@H]1CCCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000543205962 503678505 /nfs/dbraw/zinc/67/85/05/503678505.db2.gz FFMXUPQDBUBSGM-RHSMWYFYSA-N 1 1 354.472 3.269 20 5 FGBDMO COCCn1cc2c(n1)[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)CCC2 ZINC000546228394 503679644 /nfs/dbraw/zinc/67/96/44/503679644.db2.gz NCJMMCDWZBOESL-RDTXWAMCSA-N 1 1 358.442 3.474 20 5 FGBDMO CC(C)c1nnc(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000540155298 503691572 /nfs/dbraw/zinc/69/15/72/503691572.db2.gz DHIHPEJEIQTRTG-LLVKDONJSA-N 1 1 363.443 3.077 20 5 FGBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ccncc1OC[C@H]1CCOC1 ZINC000517246399 503692570 /nfs/dbraw/zinc/69/25/70/503692570.db2.gz UWAXOYLDSSRACB-KSSFIOAISA-N 1 1 369.421 3.182 20 5 FGBDMO C[NH+](C)[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(Cl)cc1 ZINC000517391867 503734170 /nfs/dbraw/zinc/73/41/70/503734170.db2.gz RDZOIQZQUIGNKA-GOSISDBHSA-N 1 1 373.840 3.436 20 5 FGBDMO CC(C)(C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000546564086 503789263 /nfs/dbraw/zinc/78/92/63/503789263.db2.gz NMVQXIGWCYEBNY-ZDUSSCGKSA-N 1 1 363.433 3.145 20 5 FGBDMO C[C@@H]1CC[N@H+](CC(=O)Nc2cc(N3CC[C@H](C)[C@@H]3C)ccc2[N+](=O)[O-])[C@H]1C ZINC000533311015 503804090 /nfs/dbraw/zinc/80/40/90/503804090.db2.gz XITYDYYXJMUGQG-UGUYLWEFSA-N 1 1 374.485 3.498 20 5 FGBDMO C[C@H](C(=O)N1CCC[N@H+](C(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000543552204 503810563 /nfs/dbraw/zinc/81/05/63/503810563.db2.gz OEKCCRUAVJFBLM-ZDUSSCGKSA-N 1 1 351.422 3.170 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000530330560 503928726 /nfs/dbraw/zinc/92/87/26/503928726.db2.gz FMSWKRSFZOKSRD-LLVKDONJSA-N 1 1 354.453 3.219 20 5 FGBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000518297127 503946208 /nfs/dbraw/zinc/94/62/08/503946208.db2.gz IMQMMCFIVODZSF-LJQANCHMSA-N 1 1 374.485 3.439 20 5 FGBDMO COc1cc(CO[C@@H](C)Cc2[nH]cc[nH+]2)c([N+](=O)[O-])cc1OCC(F)F ZINC000543959406 503952033 /nfs/dbraw/zinc/95/20/33/503952033.db2.gz UXZNQRDWLHWBKC-JTQLQIEISA-N 1 1 371.340 3.118 20 5 FGBDMO CSc1ccc(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000533828345 503962652 /nfs/dbraw/zinc/96/26/52/503962652.db2.gz WCCANEOYUUGBDV-OAHLLOKOSA-N 1 1 357.435 3.233 20 5 FGBDMO CSc1ccc(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000533828345 503962661 /nfs/dbraw/zinc/96/26/61/503962661.db2.gz WCCANEOYUUGBDV-OAHLLOKOSA-N 1 1 357.435 3.233 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000544070881 503996376 /nfs/dbraw/zinc/99/63/76/503996376.db2.gz NDZACOLHNISIAI-RBUKOAKNSA-N 1 1 370.449 3.432 20 5 FGBDMO COc1ccc([N+](=O)[O-])c(NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1 ZINC000530691567 504053866 /nfs/dbraw/zinc/05/38/66/504053866.db2.gz HDFBECACZBJQLY-UHFFFAOYSA-N 1 1 357.414 3.091 20 5 FGBDMO COc1ccccc1[C@H](C)N(C)C(=O)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000538278070 504186164 /nfs/dbraw/zinc/18/61/64/504186164.db2.gz JUZXRLRATOOSNX-CABCVRRESA-N 1 1 371.437 3.474 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000541733266 504236358 /nfs/dbraw/zinc/23/63/58/504236358.db2.gz HERUDRKMWYHDHM-MCIONIFRSA-N 1 1 351.422 3.169 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000541733268 504236447 /nfs/dbraw/zinc/23/64/47/504236447.db2.gz HERUDRKMWYHDHM-MJBXVCDLSA-N 1 1 351.422 3.169 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000534869042 504265424 /nfs/dbraw/zinc/26/54/24/504265424.db2.gz LDZVVOVAMJPSEF-NRFANRHFSA-N 1 1 367.449 3.127 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)c1 ZINC000544896575 504294092 /nfs/dbraw/zinc/29/40/92/504294092.db2.gz AHZJHQPOAJPRAS-MRXNPFEDSA-N 1 1 365.393 3.419 20 5 FGBDMO CC(=O)N1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)[C@@H](C)C1 ZINC000538727745 504346827 /nfs/dbraw/zinc/34/68/27/504346827.db2.gz TVVZGPDRNYFAPP-ZDUSSCGKSA-N 1 1 359.451 3.376 20 5 FGBDMO CC(=O)N1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)[C@@H](C)C1 ZINC000538727745 504346831 /nfs/dbraw/zinc/34/68/31/504346831.db2.gz TVVZGPDRNYFAPP-ZDUSSCGKSA-N 1 1 359.451 3.376 20 5 FGBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C)C3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000538942605 504423818 /nfs/dbraw/zinc/42/38/18/504423818.db2.gz IINIVBJPVXMJIM-UONOGXRCSA-N 1 1 361.442 3.443 20 5 FGBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C)C3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000538942605 504423820 /nfs/dbraw/zinc/42/38/20/504423820.db2.gz IINIVBJPVXMJIM-UONOGXRCSA-N 1 1 361.442 3.443 20 5 FGBDMO Cc1ccc([C@@H]2CC[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000542320599 504450507 /nfs/dbraw/zinc/45/05/07/504450507.db2.gz RDUAXIGTCWQAIT-IEBWSBKVSA-N 1 1 356.422 3.132 20 5 FGBDMO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000542362606 504462851 /nfs/dbraw/zinc/46/28/51/504462851.db2.gz VIBPDKVSEFKXMR-CQSZACIVSA-N 1 1 371.890 3.139 20 5 FGBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000542362606 504462853 /nfs/dbraw/zinc/46/28/53/504462853.db2.gz VIBPDKVSEFKXMR-CQSZACIVSA-N 1 1 371.890 3.139 20 5 FGBDMO C[N@@H+](CCCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C1CCCCC1 ZINC000535694079 504508804 /nfs/dbraw/zinc/50/88/04/504508804.db2.gz RZXJIEYSBSBGDD-UHFFFAOYSA-N 1 1 358.442 3.461 20 5 FGBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000539852158 504718636 /nfs/dbraw/zinc/71/86/36/504718636.db2.gz FUOBXNHNRMLNGQ-AWEZNQCLSA-N 1 1 369.412 3.360 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)c1 ZINC000532655247 504726820 /nfs/dbraw/zinc/72/68/20/504726820.db2.gz UVTLSTUAMICRHL-WIYYLYMNSA-N 1 1 368.433 3.486 20 5 FGBDMO C[N@H+](Cc1ccc(Cl)c(F)c1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000536486661 504746040 /nfs/dbraw/zinc/74/60/40/504746040.db2.gz YLLUKFUCPPHRJH-CQSZACIVSA-N 1 1 368.792 3.259 20 5 FGBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000536491663 504747605 /nfs/dbraw/zinc/74/76/05/504747605.db2.gz MFQHKEOEOTWFKF-ZDUSSCGKSA-N 1 1 358.442 3.316 20 5 FGBDMO O=[N+]([O-])c1cc2c(ncnc2N2CCC[N@@H+](Cc3ccccc3)CC2)s1 ZINC000552925537 504789652 /nfs/dbraw/zinc/78/96/52/504789652.db2.gz XIZIYDXDUZCPIY-UHFFFAOYSA-N 1 1 369.450 3.312 20 5 FGBDMO Cc1ccccc1[C@H](C)[N@@H+](CC(C)C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000556518630 504896042 /nfs/dbraw/zinc/89/60/42/504896042.db2.gz FGYXGGNHRXGZSU-WMZOPIPTSA-N 1 1 360.458 3.180 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)n1 ZINC000553475529 504925430 /nfs/dbraw/zinc/92/54/30/504925430.db2.gz CBWLEKFJOVOIDJ-UHFFFAOYSA-N 1 1 367.365 3.284 20 5 FGBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000565612739 504937290 /nfs/dbraw/zinc/93/72/90/504937290.db2.gz PAFCPEKTSOWBRY-INIZCTEOSA-N 1 1 359.470 3.063 20 5 FGBDMO CSc1cccc(C(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000565734123 504971377 /nfs/dbraw/zinc/97/13/77/504971377.db2.gz QKIXMKVTIBUBPE-CYBMUJFWSA-N 1 1 363.483 3.263 20 5 FGBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000553675969 504980024 /nfs/dbraw/zinc/98/00/24/504980024.db2.gz YKOHNTIXZUFISP-FQEVSTJZSA-N 1 1 352.438 3.401 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(CN3CCC[N@@H+](Cc4ccccc4)CC3)nc2c1 ZINC000553818919 505018575 /nfs/dbraw/zinc/01/85/75/505018575.db2.gz GHQDAIBRLGTPSM-UHFFFAOYSA-N 1 1 365.437 3.179 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCCC[C@H]3C3(O)CC3)o2)c1 ZINC000563103046 505049164 /nfs/dbraw/zinc/04/91/64/505049164.db2.gz FQVWLDKXMBPFLT-KRWDZBQOSA-N 1 1 357.410 3.172 20 5 FGBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000566335338 505146646 /nfs/dbraw/zinc/14/66/46/505146646.db2.gz WVYGDPTUCQMLIV-FQEVSTJZSA-N 1 1 374.412 3.040 20 5 FGBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000554740161 505254140 /nfs/dbraw/zinc/25/41/40/505254140.db2.gz QBANHUSNSJGCEM-SFHVURJKSA-N 1 1 368.437 3.020 20 5 FGBDMO CSc1cccc(C(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000558011041 505284383 /nfs/dbraw/zinc/28/43/83/505284383.db2.gz LZBSRWKTSOHFNR-GZBFAFLISA-N 1 1 363.483 3.119 20 5 FGBDMO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC000561284011 505304529 /nfs/dbraw/zinc/30/45/29/505304529.db2.gz HVMHAIWBPMBNSZ-HNNXBMFYSA-N 1 1 351.410 3.286 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]CCC[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000552066094 505388712 /nfs/dbraw/zinc/38/87/12/505388712.db2.gz ZKDHQIYILRFCSY-MSOLQXFVSA-N 1 1 358.442 3.357 20 5 FGBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000561803564 505441238 /nfs/dbraw/zinc/44/12/38/505441238.db2.gz KVBYHIZANBVOAJ-NSHDSACASA-N 1 1 374.388 3.438 20 5 FGBDMO CC[C@@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000555539124 505449859 /nfs/dbraw/zinc/44/98/59/505449859.db2.gz VXQVKOWRVLPBKX-SFHVURJKSA-N 1 1 370.453 3.034 20 5 FGBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000552399633 505482607 /nfs/dbraw/zinc/48/26/07/505482607.db2.gz LQEDROIKWALWET-LLVKDONJSA-N 1 1 361.364 3.464 20 5 FGBDMO C[C@H](C(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000564676126 505489323 /nfs/dbraw/zinc/48/93/23/505489323.db2.gz IDXHOMWCCPEHBC-KGLIPLIRSA-N 1 1 363.433 3.170 20 5 FGBDMO C[C@H](C(=O)NCCC[N@H+]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000555722036 505501102 /nfs/dbraw/zinc/50/11/02/505501102.db2.gz ALVWVXAPGFPXQZ-INIZCTEOSA-N 1 1 367.449 3.263 20 5 FGBDMO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(Oc2cccnc2)cc1 ZINC000564718458 505502257 /nfs/dbraw/zinc/50/22/57/505502257.db2.gz DUTSWIZNNZGVEX-CYBMUJFWSA-N 1 1 353.382 3.366 20 5 FGBDMO CCCC(C)(C)[N@H+](Cc1cccs1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000558863141 505513106 /nfs/dbraw/zinc/51/31/06/505513106.db2.gz KNWCIPRJLITIQS-OAHLLOKOSA-N 1 1 366.487 3.295 20 5 FGBDMO Cc1cc(NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c(F)cc1[N+](=O)[O-] ZINC000596424184 506398139 /nfs/dbraw/zinc/39/81/39/506398139.db2.gz QRSNJDKENMZENH-INIZCTEOSA-N 1 1 359.401 3.221 20 5 FGBDMO CC1(C)C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000612107950 506439018 /nfs/dbraw/zinc/43/90/18/506439018.db2.gz GVRCNJRUFZWXMG-QFBILLFUSA-N 1 1 356.422 3.418 20 5 FGBDMO O=C(N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccc([N+](=O)[O-])o1 ZINC000612133341 506454082 /nfs/dbraw/zinc/45/40/82/506454082.db2.gz XGNXMRYJCDDNNL-YESZJQIVSA-N 1 1 369.421 3.218 20 5 FGBDMO CC(C)C[N@@H+](C)CCCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000593205434 506464066 /nfs/dbraw/zinc/46/40/66/506464066.db2.gz ZDOWNYRGPOUZHT-CYBMUJFWSA-N 1 1 371.865 3.110 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[NH+]2C[C@H](C)C(F)(F)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000599511851 506480364 /nfs/dbraw/zinc/48/03/64/506480364.db2.gz BZMRDPXXSZCKLS-GVXVVHGQSA-N 1 1 355.385 3.453 20 5 FGBDMO CC1(C)C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1c1cccnc1 ZINC000596595386 506480956 /nfs/dbraw/zinc/48/09/56/506480956.db2.gz YWFCAZDZRSZKMY-SFHVURJKSA-N 1 1 354.410 3.402 20 5 FGBDMO C[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@H](Cc2ccccc2)C1 ZINC000593250471 506494543 /nfs/dbraw/zinc/49/45/43/506494543.db2.gz OGXRCDNZSTZHHK-MRXNPFEDSA-N 1 1 372.400 3.125 20 5 FGBDMO C[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@H](Cc2ccccc2)C1 ZINC000593250471 506494548 /nfs/dbraw/zinc/49/45/48/506494548.db2.gz OGXRCDNZSTZHHK-MRXNPFEDSA-N 1 1 372.400 3.125 20 5 FGBDMO COC(=O)c1cnc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000599555115 506499139 /nfs/dbraw/zinc/49/91/39/506499139.db2.gz ZUXCPTKCJFFGLW-UHFFFAOYSA-N 1 1 361.423 3.218 20 5 FGBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+](C)CC2(C)COC2)cc1OC ZINC000599571774 506504819 /nfs/dbraw/zinc/50/48/19/506504819.db2.gz UVAWWIJRBSTLNU-CQSZACIVSA-N 1 1 366.458 3.497 20 5 FGBDMO C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599586892 506513012 /nfs/dbraw/zinc/51/30/12/506513012.db2.gz KCIWZXVDZSUCQL-PBHICJAKSA-N 1 1 364.442 3.273 20 5 FGBDMO CCO[C@@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@H]1C[NH3+] ZINC000593317724 506535587 /nfs/dbraw/zinc/53/55/87/506535587.db2.gz VRHVGXFJHLPHJU-CXAGYDPISA-N 1 1 361.467 3.119 20 5 FGBDMO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000593319906 506537543 /nfs/dbraw/zinc/53/75/43/506537543.db2.gz FYBCUMZSXMOLMR-XYPHTWIQSA-N 1 1 353.850 3.109 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CCC([C@H]3CCOC3)CC2)c1 ZINC000612402119 506564350 /nfs/dbraw/zinc/56/43/50/506564350.db2.gz LSMOYLKDQBAXBH-ZDUSSCGKSA-N 1 1 356.369 3.445 20 5 FGBDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1(C)C ZINC000589502214 506571095 /nfs/dbraw/zinc/57/10/95/506571095.db2.gz OYVYQSWZTFLVCN-CVEARBPZSA-N 1 1 350.415 3.017 20 5 FGBDMO CCN1C[C@H](C[N@@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)Oc2ccccc21 ZINC000603845380 506631931 /nfs/dbraw/zinc/63/19/31/506631931.db2.gz QTOLECNUCLUXRY-INIZCTEOSA-N 1 1 371.437 3.323 20 5 FGBDMO CCN1C[C@@H](C[N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)Oc2ccccc21 ZINC000603855640 506637577 /nfs/dbraw/zinc/63/75/77/506637577.db2.gz SUFWXQIAOVGONP-GOSISDBHSA-N 1 1 355.438 3.357 20 5 FGBDMO O=[N+]([O-])c1ccc(OCCC[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000604012467 506685934 /nfs/dbraw/zinc/68/59/34/506685934.db2.gz OEZPDLHAJONSBE-UHFFFAOYSA-N 1 1 359.401 3.325 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@@H]4C[C@H]3C[S@]4=O)o2)c(Cl)c1 ZINC000593689376 506732532 /nfs/dbraw/zinc/73/25/32/506732532.db2.gz TTWRUMZDSKCCMD-XKZQISBESA-N 1 1 366.826 3.213 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@@H]4C[C@H]3C[S@]4=O)o2)c(Cl)c1 ZINC000593689376 506732542 /nfs/dbraw/zinc/73/25/42/506732542.db2.gz TTWRUMZDSKCCMD-XKZQISBESA-N 1 1 366.826 3.213 20 5 FGBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000590175823 506758693 /nfs/dbraw/zinc/75/86/93/506758693.db2.gz UYMMVOQCXRDTFY-RYUDHWBXSA-N 1 1 373.375 3.464 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000609309954 506845193 /nfs/dbraw/zinc/84/51/93/506845193.db2.gz PYDSCQOMEZGLMJ-UONOGXRCSA-N 1 1 363.483 3.209 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](c2ccco2)C1 ZINC000609540407 506913710 /nfs/dbraw/zinc/91/37/10/506913710.db2.gz VISJIMJAAXXHHI-ZDUSSCGKSA-N 1 1 359.382 3.015 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000609916237 507049221 /nfs/dbraw/zinc/04/92/21/507049221.db2.gz OWOUIDATZOHZSH-KRWDZBQOSA-N 1 1 355.438 3.180 20 5 FGBDMO Cc1ccc(C[C@@H](C)[N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000610003494 507067682 /nfs/dbraw/zinc/06/76/82/507067682.db2.gz BDGYCGVNHLWBTN-VQIMIIECSA-N 1 1 358.438 3.206 20 5 FGBDMO 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CC[N@H+](C[C@H]1CCCO1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000764216535 723399482 /nfs/dbraw/zinc/39/94/82/723399482.db2.gz UWNMQMQXBCOMMI-DGCLKSJQSA-N 1 1 355.822 3.076 20 5 FGBDMO CC[N@@H+](C[C@H]1CCCO1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000764216535 723399485 /nfs/dbraw/zinc/39/94/85/723399485.db2.gz UWNMQMQXBCOMMI-DGCLKSJQSA-N 1 1 355.822 3.076 20 5 FGBDMO COC(=O)c1cc([N+](=O)[O-])c(NCCCn2cc[nH+]c2C)cc1Cl ZINC000765512766 723519246 /nfs/dbraw/zinc/51/92/46/723519246.db2.gz CDONRNSKYDOMLM-UHFFFAOYSA-N 1 1 352.778 3.042 20 5 FGBDMO COC(=O)c1cc([N+](=O)[O-])c(NC[C@H]2CC[N@@H+](CC(C)C)C2)cc1Cl ZINC000765527807 723520940 /nfs/dbraw/zinc/52/09/40/723520940.db2.gz QUONZSOIKXKVOV-GFCCVEGCSA-N 1 1 369.849 3.425 20 5 FGBDMO CC[C@H]1CCC[N@@H+]1CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795427314 723590545 /nfs/dbraw/zinc/59/05/45/723590545.db2.gz PXCUUMNKYBPUKZ-NSHDSACASA-N 1 1 368.231 3.145 20 5 FGBDMO CC[C@H]1CCC[N@H+]1CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795427314 723590546 /nfs/dbraw/zinc/59/05/46/723590546.db2.gz PXCUUMNKYBPUKZ-NSHDSACASA-N 1 1 368.231 3.145 20 5 FGBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)CCOC(C)(C)C ZINC000767906042 723639021 /nfs/dbraw/zinc/63/90/21/723639021.db2.gz SORYZIMSMOLIMQ-NSHDSACASA-N 1 1 357.838 3.322 20 5 FGBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)CCOC(C)(C)C ZINC000767906042 723639022 /nfs/dbraw/zinc/63/90/22/723639022.db2.gz SORYZIMSMOLIMQ-NSHDSACASA-N 1 1 357.838 3.322 20 5 FGBDMO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CCC[C@@H]4COCC[C@H]43)c2c(Cl)c1 ZINC000774637539 723912888 /nfs/dbraw/zinc/91/28/88/723912888.db2.gz NYXRYLIHHGTVHC-IAQYHMDHSA-N 1 1 350.806 3.056 20 5 FGBDMO O=[N+]([O-])c1cc2cnn(C[N@H+]3CCC[C@@H]4COCC[C@H]43)c2c(Cl)c1 ZINC000774637539 723912890 /nfs/dbraw/zinc/91/28/90/723912890.db2.gz NYXRYLIHHGTVHC-IAQYHMDHSA-N 1 1 350.806 3.056 20 5 FGBDMO O=C(C[N@@H+]1CC[C@@H](c2ccccn2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000799195884 723997537 /nfs/dbraw/zinc/99/75/37/723997537.db2.gz IFJRGTBBRXPVCD-GFCCVEGCSA-N 1 1 360.801 3.071 20 5 FGBDMO O=C(C[N@H+]1CC[C@@H](c2ccccn2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000799195884 723997538 /nfs/dbraw/zinc/99/75/38/723997538.db2.gz IFJRGTBBRXPVCD-GFCCVEGCSA-N 1 1 360.801 3.071 20 5 FGBDMO C[N@@H+](CCOc1ccc(Cl)cc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776272161 724126979 /nfs/dbraw/zinc/12/69/79/724126979.db2.gz QTQJCZBOZKFWRR-QGZVFWFLSA-N 1 1 350.802 3.292 20 5 FGBDMO C[C@@H](CN1CCOCC1)[N@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809998197 725281434 /nfs/dbraw/zinc/28/14/34/725281434.db2.gz NJEMVTRATBUJEZ-NSHDSACASA-N 1 1 362.257 3.054 20 5 FGBDMO C[C@@H](CN1CCOCC1)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809998197 725281437 /nfs/dbraw/zinc/28/14/37/725281437.db2.gz NJEMVTRATBUJEZ-NSHDSACASA-N 1 1 362.257 3.054 20 5 FGBDMO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000809999998 725281597 /nfs/dbraw/zinc/28/15/97/725281597.db2.gz UOVRGXOVCLADHS-QGZVFWFLSA-N 1 1 371.840 3.419 20 5 FGBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000810199432 725296363 /nfs/dbraw/zinc/29/63/63/725296363.db2.gz VVJRTHGUVBWBQY-SNVBAGLBSA-N 1 1 373.251 3.208 20 5 FGBDMO C[C@@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000824445712 729338958 /nfs/dbraw/zinc/33/89/58/729338958.db2.gz LHBNFTJMQORHHL-GFCCVEGCSA-N 1 1 368.275 3.273 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000824651463 729352845 /nfs/dbraw/zinc/35/28/45/729352845.db2.gz DYBCGLVVKIJQRM-ZDUSSCGKSA-N 1 1 367.877 3.417 20 5 FGBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000826569761 729409727 /nfs/dbraw/zinc/40/97/27/729409727.db2.gz TVYQYJMJFPZJET-ZDUSSCGKSA-N 1 1 351.834 3.052 20 5 FGBDMO Cc1cc(Cl)c(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000832870479 729735453 /nfs/dbraw/zinc/73/54/53/729735453.db2.gz LEONNBPGPQHBOL-KRWDZBQOSA-N 1 1 351.834 3.115 20 5 FGBDMO Cc1[nH+]ccn1C[C@@H](C)OC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000835214135 729868501 /nfs/dbraw/zinc/86/85/01/729868501.db2.gz UTNUPQYJXWOPQA-SECBINFHSA-N 1 1 357.288 3.364 20 5 FGBDMO O=[N+]([O-])c1cc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccc1Br ZINC000843125842 730588798 /nfs/dbraw/zinc/58/87/98/730588798.db2.gz JJPHSCAFPJSBPT-UONOGXRCSA-N 1 1 368.275 3.179 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]Cc1ccnn1CC1CC1 ZINC000883287741 737547510 /nfs/dbraw/zinc/54/75/10/737547510.db2.gz CQIQZJBZMGSWDZ-UHFFFAOYSA-N 1 1 365.231 3.254 20 5 FGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OC[C@H]1CC[N@H+]1C(C)(C)C ZINC000845739129 730890361 /nfs/dbraw/zinc/89/03/61/730890361.db2.gz FLCJRZOMOBXTJG-TZMCWYRMSA-N 1 1 352.456 3.491 20 5 FGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000852140002 731547314 /nfs/dbraw/zinc/54/73/14/731547314.db2.gz FFFQBPNNWIZRRY-CJNGLKHVSA-N 1 1 350.390 3.242 20 5 FGBDMO C[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)[C@H]1CCO ZINC000852461293 731586668 /nfs/dbraw/zinc/58/66/68/731586668.db2.gz IEQHLQGIZKTKCW-AAEUAGOBSA-N 1 1 357.248 3.340 20 5 FGBDMO C[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)[C@H]1CCO ZINC000852461293 731586672 /nfs/dbraw/zinc/58/66/72/731586672.db2.gz IEQHLQGIZKTKCW-AAEUAGOBSA-N 1 1 357.248 3.340 20 5 FGBDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C2 ZINC000854735102 731857516 /nfs/dbraw/zinc/85/75/16/731857516.db2.gz JKBZJKIRXZDZQS-INIZCTEOSA-N 1 1 372.252 3.460 20 5 FGBDMO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000856476059 732031507 /nfs/dbraw/zinc/03/15/07/732031507.db2.gz LRWAEJOBACSXIC-CYBMUJFWSA-N 1 1 351.834 3.100 20 5 FGBDMO O=C(C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000859542343 732347042 /nfs/dbraw/zinc/34/70/42/732347042.db2.gz DYNIVSMFNRFGHU-NEPJUHHUSA-N 1 1 355.847 3.157 20 5 FGBDMO O=C(C[N@H+]1CC[C@H]2CC[C@@H](C1)S2)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000859542343 732347048 /nfs/dbraw/zinc/34/70/48/732347048.db2.gz DYNIVSMFNRFGHU-NEPJUHHUSA-N 1 1 355.847 3.157 20 5 FGBDMO Cc1cc(Cl)c(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000863033275 732907120 /nfs/dbraw/zinc/90/71/20/732907120.db2.gz USZPVVBBDIQIEH-CYBMUJFWSA-N 1 1 351.834 3.303 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c(C(F)F)c1 ZINC000865435559 733200342 /nfs/dbraw/zinc/20/03/42/733200342.db2.gz KGBGAEKKHAZUMO-AWEZNQCLSA-N 1 1 355.385 3.224 20 5 FGBDMO Cc1nn(C)c2nc(Cl)c(C[NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)cc12 ZINC000865786264 733270214 /nfs/dbraw/zinc/27/02/14/733270214.db2.gz HZOSPSXCBARLFM-UHFFFAOYSA-N 1 1 359.817 3.437 20 5 FGBDMO COC1CC[NH+](CCN[C@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000872040598 735580762 /nfs/dbraw/zinc/58/07/62/735580762.db2.gz ASAPCYPTTJDYJG-CYBMUJFWSA-N 1 1 353.488 3.078 20 5 FGBDMO C[C@@H]([NH2+]CCn1cc(Br)cn1)c1c(F)cccc1[N+](=O)[O-] ZINC000872070679 735584148 /nfs/dbraw/zinc/58/41/48/735584148.db2.gz GTOTVPMGOLLXJG-SECBINFHSA-N 1 1 357.183 3.044 20 5 FGBDMO CC[N@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C[C@H]1CCOC1 ZINC000877973060 736750808 /nfs/dbraw/zinc/75/08/08/736750808.db2.gz KOUGZBUBYGXKRB-LLVKDONJSA-N 1 1 366.805 3.157 20 5 FGBDMO Cc1csc([C@H]2CC[N@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)n1 ZINC000880007201 737097280 /nfs/dbraw/zinc/09/72/80/737097280.db2.gz DLAZAODYTVCHPL-ZDUSSCGKSA-N 1 1 360.439 3.096 20 5 FGBDMO Cc1csc([C@H]2CC[N@@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)n1 ZINC000880007201 737097284 /nfs/dbraw/zinc/09/72/84/737097284.db2.gz DLAZAODYTVCHPL-ZDUSSCGKSA-N 1 1 360.439 3.096 20 5 FGBDMO Cc1csc(C[C@H]2CCC[N@@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000886691837 739285452 /nfs/dbraw/zinc/28/54/52/739285452.db2.gz NRPWXPYWEVQAGW-PBHICJAKSA-N 1 1 361.467 3.348 20 5 FGBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000888278366 739495183 /nfs/dbraw/zinc/49/51/83/739495183.db2.gz RGVYUUXRLNMTJJ-FZMZJTMJSA-N 1 1 352.822 3.115 20 5 FGBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000888280933 739495493 /nfs/dbraw/zinc/49/54/93/739495493.db2.gz HCULJWXGDUNLSG-MRXNPFEDSA-N 1 1 352.822 3.116 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@@H+](C2CC2)[C@@H]2CCC3(C[C@H]2F)OCCO3)cc1 ZINC000891623864 739922264 /nfs/dbraw/zinc/92/22/64/739922264.db2.gz PZYZYSPZCDOIOW-IAGOWNOFSA-N 1 1 350.390 3.193 20 5 FGBDMO O=C(NC1CC1)c1cccc(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000892713754 740036183 /nfs/dbraw/zinc/03/61/83/740036183.db2.gz YMGKSYLJAWUKKH-UHFFFAOYSA-N 1 1 359.813 3.430 20 5 FGBDMO O=[N+]([O-])c1sc(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)cc1Br ZINC000895847016 742462154 /nfs/dbraw/zinc/46/21/54/742462154.db2.gz XZAASROPICDACM-JOYOIKCWSA-N 1 1 361.261 3.420 20 5 FGBDMO O=[N+]([O-])c1sc(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)cc1Br ZINC000895847016 742462156 /nfs/dbraw/zinc/46/21/56/742462156.db2.gz XZAASROPICDACM-JOYOIKCWSA-N 1 1 361.261 3.420 20 5 FGBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000895879857 742465839 /nfs/dbraw/zinc/46/58/39/742465839.db2.gz LOUNQLGHFLJRRU-SSDOTTSWSA-N 1 1 362.188 3.007 20 5 FGBDMO COc1cc(C[N@H+](C)CCCF)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000895898505 742467549 /nfs/dbraw/zinc/46/75/49/742467549.db2.gz VFZAEUASVQOPBA-UHFFFAOYSA-N 1 1 354.300 3.336 20 5 FGBDMO COc1cc(C[N@@H+](C)CCCF)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000895898505 742467555 /nfs/dbraw/zinc/46/75/55/742467555.db2.gz VFZAEUASVQOPBA-UHFFFAOYSA-N 1 1 354.300 3.336 20 5 FGBDMO O=[N+]([O-])c1c(NC[C@H]2CC[N@H+]2C2CCOCC2)cccc1C(F)(F)F ZINC000896526098 742562175 /nfs/dbraw/zinc/56/21/75/742562175.db2.gz SMTITPRRDCAPQR-GFCCVEGCSA-N 1 1 359.348 3.279 20 5 FGBDMO CCOC(=O)[C@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000896962363 742621922 /nfs/dbraw/zinc/62/19/22/742621922.db2.gz NEMARKKRFQWBKP-ZDUSSCGKSA-N 1 1 361.423 3.103 20 5 FGBDMO CCOC(=O)[C@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000896962363 742621926 /nfs/dbraw/zinc/62/19/26/742621926.db2.gz NEMARKKRFQWBKP-ZDUSSCGKSA-N 1 1 361.423 3.103 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCC[C@H]1CCCC[N@H+]1C ZINC000924159774 759283381 /nfs/dbraw/zinc/28/33/81/759283381.db2.gz RANXGSOKYAXOCA-UONOGXRCSA-N 1 1 352.456 3.493 20 5 FGBDMO C[NH+](C)[C@H](CNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])c1ccco1 ZINC000929322312 760359818 /nfs/dbraw/zinc/35/98/18/760359818.db2.gz SBPSBOJGHVZGAX-OAHLLOKOSA-N 1 1 365.817 3.193 20 5 FGBDMO C[C@H]1C[C@H](N(C)Cc2cc([N+](=O)[O-])ccc2Br)CC[N@H+]1C ZINC000929779494 760454961 /nfs/dbraw/zinc/45/49/61/760454961.db2.gz AFVINPTYXRSSBA-WCQYABFASA-N 1 1 356.264 3.272 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)c([N+](=O)[O-])c1 ZINC000931910255 761000756 /nfs/dbraw/zinc/00/07/56/761000756.db2.gz CKQAHUKMDOCLQO-GFCCVEGCSA-N 1 1 363.267 3.369 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)c([N+](=O)[O-])c1 ZINC000931910255 761000766 /nfs/dbraw/zinc/00/07/66/761000766.db2.gz CKQAHUKMDOCLQO-GFCCVEGCSA-N 1 1 363.267 3.369 20 5 FGBDMO CC(C)(C)OC[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000932173130 761071803 /nfs/dbraw/zinc/07/18/03/761071803.db2.gz UAHBZMVVKMXPPB-HNNXBMFYSA-N 1 1 350.415 3.241 20 5 FGBDMO O=C(C[NH2+][C@@H](c1ccccn1)C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000932375970 761152787 /nfs/dbraw/zinc/15/27/87/761152787.db2.gz CBYLEHSJUATSHQ-QGZVFWFLSA-N 1 1 360.801 3.323 20 5 FGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000934318958 761593235 /nfs/dbraw/zinc/59/32/35/761593235.db2.gz GOHSYDMCXJZQHT-KGLIPLIRSA-N 1 1 365.861 3.266 20 5 FGBDMO O=[N+]([O-])c1ccc(NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c(Cl)c1 ZINC000046479041 257342068 /nfs/dbraw/zinc/34/20/68/257342068.db2.gz CIKJBYSMQYYECP-MRXNPFEDSA-N 1 1 361.829 3.079 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)CCCOc1ccccc1 ZINC000029852155 493862438 /nfs/dbraw/zinc/86/24/38/493862438.db2.gz XYVQYDGTMVLTQR-UHFFFAOYSA-N 1 1 357.410 3.243 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)CCCOc1ccccc1 ZINC000029852155 493862443 /nfs/dbraw/zinc/86/24/43/493862443.db2.gz XYVQYDGTMVLTQR-UHFFFAOYSA-N 1 1 357.410 3.243 20 5 FGBDMO COc1cc(CN2CCC[N@H+](C(C)C)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000069082491 493918946 /nfs/dbraw/zinc/91/89/46/493918946.db2.gz HWAZBYAIMNFPST-UHFFFAOYSA-N 1 1 373.400 3.121 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCN(C)c3ccccc3C2)cccc1[N+](=O)[O-] ZINC000069088668 493920064 /nfs/dbraw/zinc/92/00/64/493920064.db2.gz AQOGSLSUWPJRTB-HNNXBMFYSA-N 1 1 368.437 3.182 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCN(C)c3ccccc3C2)cccc1[N+](=O)[O-] ZINC000069088668 493920066 /nfs/dbraw/zinc/92/00/66/493920066.db2.gz AQOGSLSUWPJRTB-HNNXBMFYSA-N 1 1 368.437 3.182 20 5 FGBDMO CSc1ccccc1NC(=O)C[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000051472994 493972299 /nfs/dbraw/zinc/97/22/99/493972299.db2.gz HCLVLJLSKDBANJ-UHFFFAOYSA-N 1 1 359.451 3.430 20 5 FGBDMO CSc1ccccc1NC(=O)C[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000051472994 493972302 /nfs/dbraw/zinc/97/23/02/493972302.db2.gz HCLVLJLSKDBANJ-UHFFFAOYSA-N 1 1 359.451 3.430 20 5 FGBDMO C[C@@H]1C[N@H+](Cc2ccccc2CNc2ccc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000052314567 494018115 /nfs/dbraw/zinc/01/81/15/494018115.db2.gz AVDDXVLWBIQXOB-GASCZTMLSA-N 1 1 356.426 3.211 20 5 FGBDMO CC[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](C)c1cccc(OC)c1 ZINC000052705919 494055825 /nfs/dbraw/zinc/05/58/25/494055825.db2.gz BOPYPFZNAWLFSR-MAUKXSAKSA-N 1 1 374.437 3.426 20 5 FGBDMO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000070794239 494058567 /nfs/dbraw/zinc/05/85/67/494058567.db2.gz SQMWABQIPOFHPT-UHFFFAOYSA-N 1 1 352.394 3.075 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1c1cccn1C ZINC000063482877 494059560 /nfs/dbraw/zinc/05/95/60/494059560.db2.gz JFJHQADVJNBNLA-SFHVURJKSA-N 1 1 356.426 3.407 20 5 FGBDMO C[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](c2ccccc2)O1 ZINC000063587329 494067483 /nfs/dbraw/zinc/06/74/83/494067483.db2.gz GMTRWKKPUCYKIV-KXBFYZLASA-N 1 1 369.421 3.385 20 5 FGBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](c2ccccc2)O1 ZINC000063587329 494067486 /nfs/dbraw/zinc/06/74/86/494067486.db2.gz GMTRWKKPUCYKIV-KXBFYZLASA-N 1 1 369.421 3.385 20 5 FGBDMO [NH3+]C[C@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC12CCOCC2 ZINC000580192285 505700769 /nfs/dbraw/zinc/70/07/69/505700769.db2.gz HXNSGMZBAQNQIU-HNNXBMFYSA-N 1 1 371.437 3.042 20 5 FGBDMO C[N@H+]1CCC[C@H](CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000568471692 505702593 /nfs/dbraw/zinc/70/25/93/505702593.db2.gz XDHHDAQSZDSFRO-SECBINFHSA-N 1 1 368.306 3.398 20 5 FGBDMO O=C(C[N@H+]1CCC[C@H]1c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000010340752 494151088 /nfs/dbraw/zinc/15/10/88/494151088.db2.gz SLQHUWYKOXOXKZ-SFHVURJKSA-N 1 1 351.406 3.321 20 5 FGBDMO CNC(=O)c1ccc(N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000064915936 494158760 /nfs/dbraw/zinc/15/87/60/494158760.db2.gz JSEHYOYOEOFKHF-RHSMWYFYSA-N 1 1 368.437 3.202 20 5 FGBDMO COc1cc2c(cc1OC)C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000065208553 494178903 /nfs/dbraw/zinc/17/89/03/494178903.db2.gz HXCSIQXKKDQLDQ-UHFFFAOYSA-N 1 1 358.394 3.049 20 5 FGBDMO COc1cc2c(cc1OC)C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000065208553 494178904 /nfs/dbraw/zinc/17/89/04/494178904.db2.gz HXCSIQXKKDQLDQ-UHFFFAOYSA-N 1 1 358.394 3.049 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1sccc1C ZINC000041894081 494185812 /nfs/dbraw/zinc/18/58/12/494185812.db2.gz RGNDKFOTBWNWIP-UHFFFAOYSA-N 1 1 363.439 3.434 20 5 FGBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000065520238 494209261 /nfs/dbraw/zinc/20/92/61/494209261.db2.gz WLXRDSSYSOBWAQ-LLVKDONJSA-N 1 1 372.372 3.048 20 5 FGBDMO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000054374054 494227333 /nfs/dbraw/zinc/22/73/33/494227333.db2.gz QDUWUMLUDRXBLR-INIZCTEOSA-N 1 1 362.817 3.143 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000054646716 494255966 /nfs/dbraw/zinc/25/59/66/494255966.db2.gz SIRZMZQTNKJDJU-MRXNPFEDSA-N 1 1 362.474 3.091 20 5 FGBDMO CO[C@@]1(C)C[C@H]([N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1(C)C ZINC000072897967 494278104 /nfs/dbraw/zinc/27/81/04/494278104.db2.gz FECHPWWGQPXLKY-KSSFIOAISA-N 1 1 360.414 3.280 20 5 FGBDMO CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1(C)C ZINC000072897967 494278107 /nfs/dbraw/zinc/27/81/07/494278107.db2.gz FECHPWWGQPXLKY-KSSFIOAISA-N 1 1 360.414 3.280 20 5 FGBDMO COc1ccc(F)cc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000055152673 494307499 /nfs/dbraw/zinc/30/74/99/494307499.db2.gz FPAOHFYAMYZZEW-NEPJUHHUSA-N 1 1 361.373 3.420 20 5 FGBDMO CC(C)[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000066434542 494334554 /nfs/dbraw/zinc/33/45/54/494334554.db2.gz JYCIIQXEZINMKX-UHFFFAOYSA-N 1 1 359.401 3.261 20 5 FGBDMO CC(C)[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000066434542 494334556 /nfs/dbraw/zinc/33/45/56/494334556.db2.gz JYCIIQXEZINMKX-UHFFFAOYSA-N 1 1 359.401 3.261 20 5 FGBDMO CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000044770624 494379358 /nfs/dbraw/zinc/37/93/58/494379358.db2.gz ONCWXVIROXSUQJ-QGZVFWFLSA-N 1 1 371.437 3.391 20 5 FGBDMO CCC[N@@H+](C)C[C@H]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089907898 494397493 /nfs/dbraw/zinc/39/74/93/494397493.db2.gz KOCZYAPUJHUJPT-OAHLLOKOSA-N 1 1 358.442 3.414 20 5 FGBDMO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000089912650 494399253 /nfs/dbraw/zinc/39/92/53/494399253.db2.gz GAJUFGWPHVPLSE-ZACQAIPSSA-N 1 1 357.410 3.495 20 5 FGBDMO C[C@H](C[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000066854024 494426899 /nfs/dbraw/zinc/42/68/99/494426899.db2.gz FCKZGDLVJHSMPN-OAHLLOKOSA-N 1 1 353.422 3.219 20 5 FGBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(Cl)c(Cl)c1 ZINC000090512446 494476445 /nfs/dbraw/zinc/47/64/45/494476445.db2.gz AXFAKCYUGUYDJW-UHFFFAOYSA-N 1 1 356.209 3.195 20 5 FGBDMO C[C@@H]1C[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000079553903 494479294 /nfs/dbraw/zinc/47/92/94/494479294.db2.gz WAIDJEUYXMYCOD-APWZRJJASA-N 1 1 367.449 3.307 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000090682784 494492807 /nfs/dbraw/zinc/49/28/07/494492807.db2.gz GTLSLIOIZVVUHR-UHFFFAOYSA-N 1 1 357.757 3.390 20 5 FGBDMO CN1CC[N@@H+](C)Cc2ccc(NC(=O)Nc3cccc([N+](=O)[O-])c3)cc21 ZINC000091043454 494516916 /nfs/dbraw/zinc/51/69/16/494516916.db2.gz XBEDIZVUOYCWAH-UHFFFAOYSA-N 1 1 355.398 3.120 20 5 FGBDMO CC[C@H](CSC)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000091096987 494534056 /nfs/dbraw/zinc/53/40/56/494534056.db2.gz NPUJDFZRDUOTAV-GFCCVEGCSA-N 1 1 355.460 3.005 20 5 FGBDMO CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000074447058 494537964 /nfs/dbraw/zinc/53/79/64/494537964.db2.gz PTSCLEJVOJKAFU-IBGZPJMESA-N 1 1 353.422 3.331 20 5 FGBDMO C[NH+](C)[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccco1 ZINC000023236280 494557239 /nfs/dbraw/zinc/55/72/39/494557239.db2.gz DXIUMOFISFKQGR-ZDUSSCGKSA-N 1 1 359.407 3.435 20 5 FGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@H](c3nncn3C3CC3)C2)cc1 ZINC000091631533 494633931 /nfs/dbraw/zinc/63/39/31/494633931.db2.gz AMPBUTGGVTVXCW-HNNXBMFYSA-N 1 1 371.441 3.170 20 5 FGBDMO C[C@@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C)C1 ZINC000047119594 494635973 /nfs/dbraw/zinc/63/59/73/494635973.db2.gz UPZSSWIZNSTDRX-KBPBESRZSA-N 1 1 360.458 3.019 20 5 FGBDMO COc1ccc(-c2ccc(C[N@@H+](C)C[C@H]3CCC[C@@H]3O)o2)c([N+](=O)[O-])c1 ZINC000091899411 494719813 /nfs/dbraw/zinc/71/98/13/494719813.db2.gz AWBXXASLYFUDBF-ACJLOTCBSA-N 1 1 360.410 3.456 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000116281284 494750673 /nfs/dbraw/zinc/75/06/73/494750673.db2.gz WUCZPBLTJLYBCR-ZDUSSCGKSA-N 1 1 361.833 3.166 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000116281284 494750680 /nfs/dbraw/zinc/75/06/80/494750680.db2.gz WUCZPBLTJLYBCR-ZDUSSCGKSA-N 1 1 361.833 3.166 20 5 FGBDMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)C[C@@H](C)O1 ZINC000121441181 494757508 /nfs/dbraw/zinc/75/75/08/494757508.db2.gz STBDFMUQGWBIEJ-HUUCEWRRSA-N 1 1 369.421 3.456 20 5 FGBDMO C[N@@H+](CCN1CCOCC1)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000092974789 494799340 /nfs/dbraw/zinc/79/93/40/494799340.db2.gz ZGWHMUKPSOWVKY-UHFFFAOYSA-N 1 1 361.467 3.087 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1cccc(F)c1 ZINC000026223912 494811238 /nfs/dbraw/zinc/81/12/38/494811238.db2.gz CKBFWBXTEJMWOK-UHFFFAOYSA-N 1 1 361.373 3.203 20 5 FGBDMO COc1ccc(C[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000026221415 494811664 /nfs/dbraw/zinc/81/16/64/494811664.db2.gz DRYZSPMHWPUILZ-UHFFFAOYSA-N 1 1 373.409 3.073 20 5 FGBDMO C[N@@H+](CCOc1ccc(F)cc1)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000026336791 494818402 /nfs/dbraw/zinc/81/84/02/494818402.db2.gz LBFNWYBBKTXFDG-UHFFFAOYSA-N 1 1 361.373 3.073 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+](CCO)Cc2cccnc2)o1 ZINC000093085977 494823783 /nfs/dbraw/zinc/82/37/83/494823783.db2.gz NGJUXRAXUVBNNH-UHFFFAOYSA-N 1 1 353.378 3.244 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+](CCO)Cc2cccnc2)o1 ZINC000093085977 494823785 /nfs/dbraw/zinc/82/37/85/494823785.db2.gz NGJUXRAXUVBNNH-UHFFFAOYSA-N 1 1 353.378 3.244 20 5 FGBDMO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000132200329 494837539 /nfs/dbraw/zinc/83/75/39/494837539.db2.gz HRNAFUIXEJQPRH-AWEZNQCLSA-N 1 1 359.348 3.026 20 5 FGBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000132200329 494837546 /nfs/dbraw/zinc/83/75/46/494837546.db2.gz HRNAFUIXEJQPRH-AWEZNQCLSA-N 1 1 359.348 3.026 20 5 FGBDMO CC[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1nc(C)cs1 ZINC000109147105 494838694 /nfs/dbraw/zinc/83/86/94/494838694.db2.gz PQRBKKVNIONWDH-LSDHHAIUSA-N 1 1 360.439 3.206 20 5 FGBDMO COc1cc(C[N@H+](C)CCN(C)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000093273830 494855600 /nfs/dbraw/zinc/85/56/00/494855600.db2.gz FXIVYDTUPFGTPR-UHFFFAOYSA-N 1 1 359.426 3.180 20 5 FGBDMO COc1cc(C[N@@H+](C)CCN(C)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000093273830 494855602 /nfs/dbraw/zinc/85/56/02/494855602.db2.gz FXIVYDTUPFGTPR-UHFFFAOYSA-N 1 1 359.426 3.180 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000027288552 494860675 /nfs/dbraw/zinc/86/06/75/494860675.db2.gz QRIFIZLIOJDQHM-UHFFFAOYSA-N 1 1 369.421 3.128 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000027288552 494860681 /nfs/dbraw/zinc/86/06/81/494860681.db2.gz QRIFIZLIOJDQHM-UHFFFAOYSA-N 1 1 369.421 3.128 20 5 FGBDMO CCC[C@H]([NH2+]C[C@@H](C(C)C)N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000132358684 494862764 /nfs/dbraw/zinc/86/27/64/494862764.db2.gz RBCYLBNGXYCZFX-PMACEKPBSA-N 1 1 362.518 3.298 20 5 FGBDMO COc1cc(C[N@@H+](C)[C@@H](C)Cc2ccc(O)cc2)c([N+](=O)[O-])cc1OC ZINC000093324732 494870725 /nfs/dbraw/zinc/87/07/25/494870725.db2.gz XUJMSGMMQZVYED-ZDUSSCGKSA-N 1 1 360.410 3.381 20 5 FGBDMO O=C(Nc1ccccc1O)C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000121838193 494871704 /nfs/dbraw/zinc/87/17/04/494871704.db2.gz MQHTUUBKHHJYSW-UHFFFAOYSA-N 1 1 361.423 3.213 20 5 FGBDMO C[C@@H](c1ccc(F)cc1)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000027898767 494889459 /nfs/dbraw/zinc/88/94/59/494889459.db2.gz OOLDPDOTNFXSEU-ZDUSSCGKSA-N 1 1 357.385 3.316 20 5 FGBDMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000027898767 494889463 /nfs/dbraw/zinc/88/94/63/494889463.db2.gz OOLDPDOTNFXSEU-ZDUSSCGKSA-N 1 1 357.385 3.316 20 5 FGBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[N@H+]1C ZINC000132540393 494890051 /nfs/dbraw/zinc/89/00/51/494890051.db2.gz ILXFMHOHEGKBFN-MFKMUULPSA-N 1 1 359.348 3.168 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@@H](OCCC(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000093476152 494895058 /nfs/dbraw/zinc/89/50/58/494895058.db2.gz ZLKONOLUNQBECF-OAHLLOKOSA-N 1 1 352.431 3.249 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@H](OCCC(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000093476152 494895060 /nfs/dbraw/zinc/89/50/60/494895060.db2.gz ZLKONOLUNQBECF-OAHLLOKOSA-N 1 1 352.431 3.249 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3c[nH]nc3-c3ccccc3)C2)nc1 ZINC000093534334 494898597 /nfs/dbraw/zinc/89/85/97/494898597.db2.gz AJPYOGZTMPSEAA-MRXNPFEDSA-N 1 1 364.409 3.066 20 5 FGBDMO C[C@@H](c1cccc(O)c1)[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117340790 494912123 /nfs/dbraw/zinc/91/21/23/494912123.db2.gz WDFWTLNIIFYVHK-ZDUSSCGKSA-N 1 1 371.393 3.291 20 5 FGBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000109983573 494937615 /nfs/dbraw/zinc/93/76/15/494937615.db2.gz KJKJVTDNVQVYPW-SFHVURJKSA-N 1 1 372.469 3.320 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000117757096 494952730 /nfs/dbraw/zinc/95/27/30/494952730.db2.gz DMUIXFRYNQDEPY-OKILXGFUSA-N 1 1 367.877 3.275 20 5 FGBDMO C[N@@H+](CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000117768834 494954878 /nfs/dbraw/zinc/95/48/78/494954878.db2.gz DHNMIJBBTMQXOC-UHFFFAOYSA-N 1 1 353.850 3.171 20 5 FGBDMO C[C@@H](c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)cc1)[NH+]1CCOCC1 ZINC000110721589 495003334 /nfs/dbraw/zinc/00/33/34/495003334.db2.gz QTPUABCUYIBVFU-ZDUSSCGKSA-N 1 1 373.384 3.379 20 5 FGBDMO CC[N@H+](C)[C@@H](C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000118723864 495027071 /nfs/dbraw/zinc/02/70/71/495027071.db2.gz NZDKAOITLMODPN-QGZVFWFLSA-N 1 1 371.393 3.013 20 5 FGBDMO CC[N@@H+](C)[C@@H](C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000118723864 495027074 /nfs/dbraw/zinc/02/70/74/495027074.db2.gz NZDKAOITLMODPN-QGZVFWFLSA-N 1 1 371.393 3.013 20 5 FGBDMO COCCCOC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000122784035 495030725 /nfs/dbraw/zinc/03/07/25/495030725.db2.gz KSSSINNLAXPQML-UHFFFAOYSA-N 1 1 366.458 3.400 20 5 FGBDMO CC(C)Oc1ccccc1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866223 495050233 /nfs/dbraw/zinc/05/02/33/495050233.db2.gz SFFOXBSGERNJIE-INIZCTEOSA-N 1 1 356.426 3.463 20 5 FGBDMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000128257472 495068841 /nfs/dbraw/zinc/06/88/41/495068841.db2.gz YDBJJPMKXPCDDH-HNNXBMFYSA-N 1 1 363.801 3.408 20 5 FGBDMO C[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)NCc1ccco1 ZINC000111399341 495070784 /nfs/dbraw/zinc/07/07/84/495070784.db2.gz XMLPQOYNQCPFID-ZDUSSCGKSA-N 1 1 369.377 3.242 20 5 FGBDMO O=C(C1CC1)N1CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000119092132 495090804 /nfs/dbraw/zinc/09/08/04/495090804.db2.gz MKONIQSHESLKPA-UHFFFAOYSA-N 1 1 369.421 3.299 20 5 FGBDMO O=C(C1CC1)N1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000119092132 495090807 /nfs/dbraw/zinc/09/08/07/495090807.db2.gz MKONIQSHESLKPA-UHFFFAOYSA-N 1 1 369.421 3.299 20 5 FGBDMO C[C@]12CCC[N@@H+]1C[C@H](c1noc(/C=C\c3ccc([N+](=O)[O-])cc3)n1)OC2 ZINC000571565834 505762647 /nfs/dbraw/zinc/76/26/47/505762647.db2.gz JWGXPHXPBUGDCP-ZTNYTRGMSA-N 1 1 356.382 3.074 20 5 FGBDMO C[C@]12CCC[N@H+]1C[C@H](c1noc(/C=C\c3ccc([N+](=O)[O-])cc3)n1)OC2 ZINC000571565834 505762650 /nfs/dbraw/zinc/76/26/50/505762650.db2.gz JWGXPHXPBUGDCP-ZTNYTRGMSA-N 1 1 356.382 3.074 20 5 FGBDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000128633538 495127208 /nfs/dbraw/zinc/12/72/08/495127208.db2.gz OJCNTENLUNFPFB-INIZCTEOSA-N 1 1 371.437 3.495 20 5 FGBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000134352195 495137863 /nfs/dbraw/zinc/13/78/63/495137863.db2.gz ITIILXVSBGSCID-GJZGRUSLSA-N 1 1 363.433 3.461 20 5 FGBDMO CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000134503521 495159118 /nfs/dbraw/zinc/15/91/18/495159118.db2.gz XGZKUIQMVGBLCR-LJQANCHMSA-N 1 1 372.421 3.234 20 5 FGBDMO CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000134503521 495159121 /nfs/dbraw/zinc/15/91/21/495159121.db2.gz XGZKUIQMVGBLCR-LJQANCHMSA-N 1 1 372.421 3.234 20 5 FGBDMO CS[C@H]1CCCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000134567485 495168650 /nfs/dbraw/zinc/16/86/50/495168650.db2.gz LHDJHCWYMJEZNQ-KGLIPLIRSA-N 1 1 351.472 3.448 20 5 FGBDMO COCC1CC[NH+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CC1 ZINC000112353952 495179049 /nfs/dbraw/zinc/17/90/49/495179049.db2.gz MONHRCVDUQYPHA-UHFFFAOYSA-N 1 1 360.357 3.063 20 5 FGBDMO Cc1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000580471756 505766786 /nfs/dbraw/zinc/76/67/86/505766786.db2.gz FGDXGRGWPPIWJU-GOSISDBHSA-N 1 1 354.410 3.424 20 5 FGBDMO Cc1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000580471756 505766788 /nfs/dbraw/zinc/76/67/88/505766788.db2.gz FGDXGRGWPPIWJU-GOSISDBHSA-N 1 1 354.410 3.424 20 5 FGBDMO COc1ccc(C[N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000103144915 495199281 /nfs/dbraw/zinc/19/92/81/495199281.db2.gz IXCZHJGPPRHRQX-UHFFFAOYSA-N 1 1 357.410 3.007 20 5 FGBDMO COc1ccc(C[N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000103144915 495199283 /nfs/dbraw/zinc/19/92/83/495199283.db2.gz IXCZHJGPPRHRQX-UHFFFAOYSA-N 1 1 357.410 3.007 20 5 FGBDMO O=[N+]([O-])c1ccc2oc(CN3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)nc2c1 ZINC000134927530 495224893 /nfs/dbraw/zinc/22/48/93/495224893.db2.gz JCFDHCUQUIFYDH-CXAGYDPISA-N 1 1 356.426 3.185 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2c[nH+]ccc2-n2cc(C)cn2)c1 ZINC000124306402 495266474 /nfs/dbraw/zinc/26/64/74/495266474.db2.gz BYQVTLIKJLZBLL-UHFFFAOYSA-N 1 1 369.406 3.458 20 5 FGBDMO Cc1cnn(-c2cc[nH+]cc2NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1 ZINC000124340153 495272120 /nfs/dbraw/zinc/27/21/20/495272120.db2.gz BCZXFZLRUOVUJI-UHFFFAOYSA-N 1 1 357.757 3.390 20 5 FGBDMO C[N@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccs1 ZINC000129700415 495282771 /nfs/dbraw/zinc/28/27/71/495282771.db2.gz LQVCAHGGMJTYSB-RHSMWYFYSA-N 1 1 359.451 3.469 20 5 FGBDMO CC1(C)CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000104650217 495294253 /nfs/dbraw/zinc/29/42/53/495294253.db2.gz DPNQHOYOMFTYED-UHFFFAOYSA-N 1 1 353.422 3.331 20 5 FGBDMO CC1(C)CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000104650217 495294256 /nfs/dbraw/zinc/29/42/56/495294256.db2.gz DPNQHOYOMFTYED-UHFFFAOYSA-N 1 1 353.422 3.331 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+](CCO)Cc3ccccc3)o2)c1 ZINC000104673730 495295602 /nfs/dbraw/zinc/29/56/02/495295602.db2.gz UVOYRQAJPYWMSQ-UHFFFAOYSA-N 1 1 367.405 3.287 20 5 FGBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000130310403 495371420 /nfs/dbraw/zinc/37/14/20/495371420.db2.gz BKQWXLARUSPJKJ-ZDUSSCGKSA-N 1 1 358.442 3.316 20 5 FGBDMO O=[N+]([O-])c1ccc(NCCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000106071647 495409418 /nfs/dbraw/zinc/40/94/18/495409418.db2.gz FVKSXRBSQMLXRU-UHFFFAOYSA-N 1 1 354.454 3.215 20 5 FGBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000120599334 495414316 /nfs/dbraw/zinc/41/43/16/495414316.db2.gz PSSPOEUGLXDERZ-QGZVFWFLSA-N 1 1 374.485 3.389 20 5 FGBDMO C[C@@H](CN1CCN(C)CC1)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000106486636 495459151 /nfs/dbraw/zinc/45/91/51/495459151.db2.gz KKGMWOPTYWOMRR-HNNXBMFYSA-N 1 1 374.510 3.049 20 5 FGBDMO CCOc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000115131892 495466220 /nfs/dbraw/zinc/46/62/20/495466220.db2.gz NHVUVSNSYQSELM-MRXNPFEDSA-N 1 1 373.409 3.153 20 5 FGBDMO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1Cc2ccccc2C1 ZINC000141273818 495504651 /nfs/dbraw/zinc/50/46/51/495504651.db2.gz VSHGNRMQTMRGMU-UHFFFAOYSA-N 1 1 359.813 3.286 20 5 FGBDMO CCOCCC[N@H+]1CC[C@H](Nc2ccc(C(C)=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000115521448 495513652 /nfs/dbraw/zinc/51/36/52/495513652.db2.gz NAQJQMKRUNRPSS-PBHICJAKSA-N 1 1 363.458 3.346 20 5 FGBDMO C[C@@H](c1ccccc1Br)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176220003 495551135 /nfs/dbraw/zinc/55/11/35/495551135.db2.gz KIIQZSSITUVETJ-NSHDSACASA-N 1 1 353.220 3.247 20 5 FGBDMO C[C@@H](c1ccccc1Br)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176220003 495551141 /nfs/dbraw/zinc/55/11/41/495551141.db2.gz KIIQZSSITUVETJ-NSHDSACASA-N 1 1 353.220 3.247 20 5 FGBDMO C[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000173500586 495561270 /nfs/dbraw/zinc/56/12/70/495561270.db2.gz AUMUKCYEEHJTOW-NEPJUHHUSA-N 1 1 373.375 3.464 20 5 FGBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H](c4nnc(C5CC5)[nH]4)C3)nc2c1 ZINC000179518727 495626794 /nfs/dbraw/zinc/62/67/94/495626794.db2.gz RPSKUGIEJWNZGG-LBPRGKRZSA-N 1 1 368.397 3.111 20 5 FGBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@H](c4nnc(C5CC5)[nH]4)C3)nc2c1 ZINC000179518727 495626800 /nfs/dbraw/zinc/62/68/00/495626800.db2.gz RPSKUGIEJWNZGG-LBPRGKRZSA-N 1 1 368.397 3.111 20 5 FGBDMO COC(=O)COc1ccc([C@H](C)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000185674309 495673955 /nfs/dbraw/zinc/67/39/55/495673955.db2.gz HQLHJEFHYNVPIU-LBPRGKRZSA-N 1 1 362.357 3.137 20 5 FGBDMO C[C@H](N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000185685057 495678437 /nfs/dbraw/zinc/67/84/37/495678437.db2.gz CROKWUZOBIFRJB-HRCADAONSA-N 1 1 374.485 3.164 20 5 FGBDMO C[C@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182857979 495731518 /nfs/dbraw/zinc/73/15/18/495731518.db2.gz OSPQYIXYJBCGOO-HOTGVXAUSA-N 1 1 374.485 3.389 20 5 FGBDMO CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000151104806 495738582 /nfs/dbraw/zinc/73/85/82/495738582.db2.gz VVIWWCBOOMVXFS-AWEZNQCLSA-N 1 1 357.410 3.453 20 5 FGBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CC[C@@H]21 ZINC000151195778 495767824 /nfs/dbraw/zinc/76/78/24/495767824.db2.gz CPCQONNBPNESIQ-NHYWBVRUSA-N 1 1 371.359 3.170 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@H](C)C1 ZINC000151485276 495854002 /nfs/dbraw/zinc/85/40/02/495854002.db2.gz VQWVNTWAUUPJLT-ABAIWWIYSA-N 1 1 373.375 3.416 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H]1c1ccccc1 ZINC000180104145 495860326 /nfs/dbraw/zinc/86/03/26/495860326.db2.gz CEWHQPXPILOHJE-OALUTQOASA-N 1 1 364.405 3.251 20 5 FGBDMO COC[C@H]1CCC[N@@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000180139610 495874923 /nfs/dbraw/zinc/87/49/23/495874923.db2.gz VTKXZYYHSCPFNX-LBPRGKRZSA-N 1 1 374.384 3.106 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000180170687 495890338 /nfs/dbraw/zinc/89/03/38/495890338.db2.gz SKRUJTYJQSZPJH-WBVHZDCISA-N 1 1 359.813 3.423 20 5 FGBDMO C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000160143336 495895144 /nfs/dbraw/zinc/89/51/44/495895144.db2.gz RJEODXOXXWAWQH-JTQLQIEISA-N 1 1 360.336 3.077 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000183244586 495895742 /nfs/dbraw/zinc/89/57/42/495895742.db2.gz QSJOOTDGCVQDGU-MRXNPFEDSA-N 1 1 351.410 3.326 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000180201391 495903208 /nfs/dbraw/zinc/90/32/08/495903208.db2.gz ZCEBOBYQRAJNDQ-AEFFLSMTSA-N 1 1 371.462 3.492 20 5 FGBDMO CCN(C(=O)c1cc([N+](=O)[O-])cnc1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186298654 495934214 /nfs/dbraw/zinc/93/42/14/495934214.db2.gz VSRLXFYAPVJYAF-QGZVFWFLSA-N 1 1 368.437 3.035 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000151747058 495935167 /nfs/dbraw/zinc/93/51/67/495935167.db2.gz FPAGWEJFPABOQJ-PBHICJAKSA-N 1 1 373.409 3.023 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000151747058 495935172 /nfs/dbraw/zinc/93/51/72/495935172.db2.gz FPAGWEJFPABOQJ-PBHICJAKSA-N 1 1 373.409 3.023 20 5 FGBDMO CCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000171682949 495987630 /nfs/dbraw/zinc/98/76/30/495987630.db2.gz JAWXBUZOZVVRMG-UHFFFAOYSA-N 1 1 356.220 3.170 20 5 FGBDMO C[C@H]1C[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000183499055 496010515 /nfs/dbraw/zinc/01/05/15/496010515.db2.gz VOPLGXGOHSATHI-JQWIXIFHSA-N 1 1 369.874 3.082 20 5 FGBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@]4(C3)OCc3ccccc34)nc2c1 ZINC000186636648 496083777 /nfs/dbraw/zinc/08/37/77/496083777.db2.gz OFHGSNBEVUUYFZ-IBGZPJMESA-N 1 1 351.362 3.367 20 5 FGBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@@]4(C3)OCc3ccccc34)nc2c1 ZINC000186636648 496083782 /nfs/dbraw/zinc/08/37/82/496083782.db2.gz OFHGSNBEVUUYFZ-IBGZPJMESA-N 1 1 351.362 3.367 20 5 FGBDMO C[C@@H]1C[N@@H+](CCC2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)C[C@H](C)O1 ZINC000177501369 496088177 /nfs/dbraw/zinc/08/81/77/496088177.db2.gz RCHMQACUGRANDK-CALCHBBNSA-N 1 1 361.486 3.306 20 5 FGBDMO C[C@@H]1C[N@H+](CCC2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)C[C@H](C)O1 ZINC000177501369 496088182 /nfs/dbraw/zinc/08/81/82/496088182.db2.gz RCHMQACUGRANDK-CALCHBBNSA-N 1 1 361.486 3.306 20 5 FGBDMO CC1([C@@H]2CCC[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)OCCO1 ZINC000183835624 496130442 /nfs/dbraw/zinc/13/04/42/496130442.db2.gz QHAJUVHPZKRWBX-OAHLLOKOSA-N 1 1 373.409 3.225 20 5 FGBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000174943339 496175464 /nfs/dbraw/zinc/17/54/64/496175464.db2.gz YDODALLGANMAGH-QGZVFWFLSA-N 1 1 353.422 3.189 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174949257 496178476 /nfs/dbraw/zinc/17/84/76/496178476.db2.gz QUESMKGRNXOEHF-SFHVURJKSA-N 1 1 367.449 3.497 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000156390813 496231910 /nfs/dbraw/zinc/23/19/10/496231910.db2.gz AVGHPUPMCRBEER-UHFFFAOYSA-N 1 1 357.414 3.123 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000180991886 496232316 /nfs/dbraw/zinc/23/23/16/496232316.db2.gz LEVRCUZORUQICO-UHFFFAOYSA-N 1 1 363.483 3.406 20 5 FGBDMO CSc1ccc(C(=O)NCCCNc2ccc(C)c[nH+]2)cc1[N+](=O)[O-] ZINC000172363203 496269515 /nfs/dbraw/zinc/26/95/15/496269515.db2.gz LSMKUWWSTVLUBU-UHFFFAOYSA-N 1 1 360.439 3.252 20 5 FGBDMO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)cccc1[N+](=O)[O-] ZINC000156548858 496275885 /nfs/dbraw/zinc/27/58/85/496275885.db2.gz UUGUCUGIAYOREZ-KBXCAEBGSA-N 1 1 371.441 3.011 20 5 FGBDMO CCOC(=O)CC[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000162091365 496294657 /nfs/dbraw/zinc/29/46/57/496294657.db2.gz HVCMUMNGRCKYRZ-HNNXBMFYSA-N 1 1 350.415 3.029 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](CO)c1ccc(OC)cc1 ZINC000175230947 496301555 /nfs/dbraw/zinc/30/15/55/496301555.db2.gz VZXKADZIGJPUJQ-SFHVURJKSA-N 1 1 360.410 3.168 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H](CO)c1ccc(OC)cc1 ZINC000175230947 496301560 /nfs/dbraw/zinc/30/15/60/496301560.db2.gz VZXKADZIGJPUJQ-SFHVURJKSA-N 1 1 360.410 3.168 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000181271603 496335933 /nfs/dbraw/zinc/33/59/33/496335933.db2.gz OQKMRJGDLFLMBU-CYBMUJFWSA-N 1 1 351.472 3.167 20 5 FGBDMO CC[C@H]([NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000184344769 496342861 /nfs/dbraw/zinc/34/28/61/496342861.db2.gz STYHFXPKNQFSRX-LBPRGKRZSA-N 1 1 364.427 3.048 20 5 FGBDMO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC1(O)CCCCCC1 ZINC000187357724 496407685 /nfs/dbraw/zinc/40/76/85/496407685.db2.gz VAEBLLGYCROTBD-UHFFFAOYSA-N 1 1 369.849 3.204 20 5 FGBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000153357922 496430204 /nfs/dbraw/zinc/43/02/04/496430204.db2.gz JDQWBWCLQWESFK-IAQYHMDHSA-N 1 1 352.822 3.196 20 5 FGBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1ccc([S@](C)=O)cc1 ZINC000178436380 496455731 /nfs/dbraw/zinc/45/57/31/496455731.db2.gz PIPNKWHTVYNHLY-VWLOTQADSA-N 1 1 362.451 3.233 20 5 FGBDMO Cc1csc([C@H]([NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000181596098 496462427 /nfs/dbraw/zinc/46/24/27/496462427.db2.gz IOYMSTZFKOCLLL-IAQYHMDHSA-N 1 1 360.439 3.428 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CCc1nccs1 ZINC000157423431 496474869 /nfs/dbraw/zinc/47/48/69/496474869.db2.gz LUEOKUNTTDSLCQ-SNVBAGLBSA-N 1 1 368.846 3.206 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)CCc1nccs1 ZINC000157423431 496474874 /nfs/dbraw/zinc/47/48/74/496474874.db2.gz LUEOKUNTTDSLCQ-SNVBAGLBSA-N 1 1 368.846 3.206 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000163645126 496542429 /nfs/dbraw/zinc/54/24/29/496542429.db2.gz LWFDLTOHHGFLJQ-CYBMUJFWSA-N 1 1 353.850 3.346 20 5 FGBDMO C[NH+](C)[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccco1 ZINC000173078898 496542614 /nfs/dbraw/zinc/54/26/14/496542614.db2.gz VMTDYUZWTOCOAB-CYBMUJFWSA-N 1 1 371.315 3.239 20 5 FGBDMO COc1ccc([C@H]2CCC[N@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000153699263 496550068 /nfs/dbraw/zinc/55/00/68/496550068.db2.gz DPEPJIDRRGJPCQ-MSOLQXFVSA-N 1 1 372.421 3.483 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000181888362 496587180 /nfs/dbraw/zinc/58/71/80/496587180.db2.gz BQLOGUJYFPDERG-WMZOPIPTSA-N 1 1 374.462 3.125 20 5 FGBDMO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000571956884 505854503 /nfs/dbraw/zinc/85/45/03/505854503.db2.gz NYNHDGQCSRTHIU-WMZOPIPTSA-N 1 1 374.437 3.426 20 5 FGBDMO C[N@H+](Cc1cc2ccccc2o1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181939811 496605395 /nfs/dbraw/zinc/60/53/95/496605395.db2.gz FTHKHQIZLFGWNM-OAHLLOKOSA-N 1 1 356.378 3.213 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000182248339 496719494 /nfs/dbraw/zinc/71/94/94/496719494.db2.gz PHFYRLHEUDQGAM-CQSZACIVSA-N 1 1 362.813 3.046 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCc2c(Cl)cccc2C1 ZINC000182248339 496719498 /nfs/dbraw/zinc/71/94/98/496719498.db2.gz PHFYRLHEUDQGAM-CQSZACIVSA-N 1 1 362.813 3.046 20 5 FGBDMO CSc1cccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000188257538 496732164 /nfs/dbraw/zinc/73/21/64/496732164.db2.gz WWAVZEWPHZYOSN-WBVHZDCISA-N 1 1 371.462 3.492 20 5 FGBDMO CC(C)C[C@@]1(CO)CCC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000191656131 496847879 /nfs/dbraw/zinc/84/78/79/496847879.db2.gz XGBQGACJXJPQPL-GOSISDBHSA-N 1 1 360.414 3.018 20 5 FGBDMO COc1cc(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000195270757 496870585 /nfs/dbraw/zinc/87/05/85/496870585.db2.gz LNCVUKKQWDJLNI-SFHVURJKSA-N 1 1 371.437 3.172 20 5 FGBDMO Cc1[nH+]ccn1CCCCNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000277955553 496950067 /nfs/dbraw/zinc/95/00/67/496950067.db2.gz KDPBDZKDPJGAOJ-UHFFFAOYSA-N 1 1 350.806 3.272 20 5 FGBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000269558979 496970171 /nfs/dbraw/zinc/97/01/71/496970171.db2.gz PTQNRLGSZKJYQC-NSHDSACASA-N 1 1 359.348 3.027 20 5 FGBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000273984901 496981688 /nfs/dbraw/zinc/98/16/88/496981688.db2.gz VSWGIHKHHYMIAK-CQSZACIVSA-N 1 1 365.449 3.248 20 5 FGBDMO COc1cc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c([N+](=O)[O-])cc1F ZINC000248601864 497052988 /nfs/dbraw/zinc/05/29/88/497052988.db2.gz AOMIQOFJPMDTOC-XJKSGUPXSA-N 1 1 364.373 3.424 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c([N+](=O)[O-])cc1F ZINC000248601864 497052991 /nfs/dbraw/zinc/05/29/91/497052991.db2.gz AOMIQOFJPMDTOC-XJKSGUPXSA-N 1 1 364.373 3.424 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CC1(c2ccccc2)CC1 ZINC000189297096 497073010 /nfs/dbraw/zinc/07/30/10/497073010.db2.gz UBWNWLYVTNNDFI-UHFFFAOYSA-N 1 1 369.421 3.206 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CC1(c2ccccc2)CC1 ZINC000189297096 497073012 /nfs/dbraw/zinc/07/30/12/497073012.db2.gz UBWNWLYVTNNDFI-UHFFFAOYSA-N 1 1 369.421 3.206 20 5 FGBDMO CC[C@H]([NH2+]Cc1c(Br)cnn1C)c1cccc([N+](=O)[O-])c1 ZINC000278549835 497151458 /nfs/dbraw/zinc/15/14/58/497151458.db2.gz UZSKFGYFJORPQZ-ZDUSSCGKSA-N 1 1 353.220 3.332 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CCCC3(CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000265997169 497227411 /nfs/dbraw/zinc/22/74/11/497227411.db2.gz HTZKLSBMIMQCOI-UHFFFAOYSA-N 1 1 361.442 3.124 20 5 FGBDMO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)CCC2 ZINC000192880787 497235917 /nfs/dbraw/zinc/23/59/17/497235917.db2.gz MPRDQOHPHNGLIP-QRWLVFNGSA-N 1 1 359.470 3.063 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCCC3(CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000266044532 497239999 /nfs/dbraw/zinc/23/99/99/497239999.db2.gz WYCJXJMBMPVOHD-OAHLLOKOSA-N 1 1 361.442 3.123 20 5 FGBDMO CCn1nccc1C1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000278907192 497262329 /nfs/dbraw/zinc/26/23/29/497262329.db2.gz QBLJOHMKJBNKOV-AWEZNQCLSA-N 1 1 371.441 3.018 20 5 FGBDMO COc1cc(NCc2ccccc2C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000266125937 497262799 /nfs/dbraw/zinc/26/27/99/497262799.db2.gz NMSSAIPBMQZPSX-UHFFFAOYSA-N 1 1 357.410 3.048 20 5 FGBDMO C[NH+](C)CCOc1cc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)ccn1 ZINC000193059102 497290430 /nfs/dbraw/zinc/29/04/30/497290430.db2.gz VVAKQVZAPQGIHV-IBGZPJMESA-N 1 1 370.453 3.097 20 5 FGBDMO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)N1CCc2ccccc2C1 ZINC000266436351 497340959 /nfs/dbraw/zinc/34/09/59/497340959.db2.gz FKCFCUXWLVAEJF-GJZGRUSLSA-N 1 1 353.422 3.219 20 5 FGBDMO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C(=O)N1CCc2sccc2C1 ZINC000271576132 497387669 /nfs/dbraw/zinc/38/76/69/497387669.db2.gz AYSXMBVTKZITOF-CHWSQXEVSA-N 1 1 359.451 3.280 20 5 FGBDMO C[N@@H+](CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)Cc1ccccc1 ZINC000193522235 497402801 /nfs/dbraw/zinc/40/28/01/497402801.db2.gz UUMGHMYYSLUJSV-UHFFFAOYSA-N 1 1 354.410 3.023 20 5 FGBDMO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000271653230 497409966 /nfs/dbraw/zinc/40/99/66/497409966.db2.gz VNIWBWLHLXXVNK-JKIFEVAISA-N 1 1 369.421 3.274 20 5 FGBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)C[C@H]1CCCCO1 ZINC000266756164 497412759 /nfs/dbraw/zinc/41/27/59/497412759.db2.gz UOIIXDXCWVSQRK-DGCLKSJQSA-N 1 1 355.822 3.076 20 5 FGBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)C[C@H]1CCCCO1 ZINC000266756164 497412767 /nfs/dbraw/zinc/41/27/67/497412767.db2.gz UOIIXDXCWVSQRK-DGCLKSJQSA-N 1 1 355.822 3.076 20 5 FGBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)[C@H]2C1 ZINC000275984279 497475413 /nfs/dbraw/zinc/47/54/13/497475413.db2.gz PJMFDPULYKCYQS-XOBRGWDASA-N 1 1 361.445 3.260 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+](CCO)C2CCOCC2)s1 ZINC000275994518 497477671 /nfs/dbraw/zinc/47/76/71/497477671.db2.gz OBFDMGYVFWQLKI-UHFFFAOYSA-N 1 1 362.451 3.297 20 5 FGBDMO Cc1c(CC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000193793960 497484292 /nfs/dbraw/zinc/48/42/92/497484292.db2.gz LHKIBNKQCRMACE-SFHVURJKSA-N 1 1 367.449 3.084 20 5 FGBDMO C[C@@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272183203 497558317 /nfs/dbraw/zinc/55/83/17/497558317.db2.gz AJKUYOCPLKCTDX-GDBMZVCRSA-N 1 1 371.412 3.374 20 5 FGBDMO O=C1CC[C@H]2C[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)CC[C@H]2N1C1CC1 ZINC000245913589 497569287 /nfs/dbraw/zinc/56/92/87/497569287.db2.gz VWGBSGUDJORALN-YVEFUNNKSA-N 1 1 363.845 3.224 20 5 FGBDMO O=C1CC[C@H]2C[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)CC[C@H]2N1C1CC1 ZINC000245913589 497569290 /nfs/dbraw/zinc/56/92/90/497569290.db2.gz VWGBSGUDJORALN-YVEFUNNKSA-N 1 1 363.845 3.224 20 5 FGBDMO Cc1ccc(NCCCNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)[nH+]c1 ZINC000194475696 497679589 /nfs/dbraw/zinc/67/95/89/497679589.db2.gz PLDUAWWIBYMXND-CQSZACIVSA-N 1 1 357.414 3.161 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000246343486 497701957 /nfs/dbraw/zinc/70/19/57/497701957.db2.gz JHXPHIJAKDFKSJ-IAGOWNOFSA-N 1 1 374.485 3.120 20 5 FGBDMO CS[C@@H]1CCCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000246570424 497778036 /nfs/dbraw/zinc/77/80/36/497778036.db2.gz LHDJHCWYMJEZNQ-ZIAGYGMSSA-N 1 1 351.472 3.448 20 5 FGBDMO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H]1OCCc2ccccc21 ZINC000263656975 497805957 /nfs/dbraw/zinc/80/59/57/497805957.db2.gz CXVNOKIEFXMLEF-LJQANCHMSA-N 1 1 370.405 3.207 20 5 FGBDMO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H]1OCCc2ccccc21 ZINC000263656975 497805960 /nfs/dbraw/zinc/80/59/60/497805960.db2.gz CXVNOKIEFXMLEF-LJQANCHMSA-N 1 1 370.405 3.207 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000246757281 497808312 /nfs/dbraw/zinc/80/83/12/497808312.db2.gz XWAIQNDDGSYOSQ-HZPDHXFCSA-N 1 1 362.474 3.323 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000246840680 497815622 /nfs/dbraw/zinc/81/56/22/497815622.db2.gz AXKGTAMQFVKCSJ-DLBZAZTESA-N 1 1 369.421 3.315 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000246859409 497817233 /nfs/dbraw/zinc/81/72/33/497817233.db2.gz DYCJWEOWNJVWTG-RDTXWAMCSA-N 1 1 369.425 3.022 20 5 FGBDMO COc1cc(C[N@@H+](C(C)C)[C@@H]2CCOC2)c([N+](=O)[O-])cc1OC(F)F ZINC000291977700 497822779 /nfs/dbraw/zinc/82/27/79/497822779.db2.gz WBBLZNYSJYXVPH-GFCCVEGCSA-N 1 1 360.357 3.204 20 5 FGBDMO Cc1[nH]nc(C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000299573763 497853460 /nfs/dbraw/zinc/85/34/60/497853460.db2.gz WMQIVUDFLJJQLZ-GFCCVEGCSA-N 1 1 357.414 3.111 20 5 FGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)c1 ZINC000364341507 497909660 /nfs/dbraw/zinc/90/96/60/497909660.db2.gz JVSHSSQWVKYPAE-UXHICEINSA-N 1 1 354.406 3.150 20 5 FGBDMO COc1ccc(C[NH2+]Cc2conc2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000569506775 505951060 /nfs/dbraw/zinc/95/10/60/505951060.db2.gz DFXZVSWHOGRTKS-UHFFFAOYSA-N 1 1 353.378 3.472 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2C[C@@H](O)C(C)(C)C2)cc1OC ZINC000581290335 505952462 /nfs/dbraw/zinc/95/24/62/505952462.db2.gz GFQSFDXJLAULSI-SCLBCKFNSA-N 1 1 366.458 3.231 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2C[C@@H](O)C(C)(C)C2)cc1OC ZINC000581290335 505952464 /nfs/dbraw/zinc/95/24/64/505952464.db2.gz GFQSFDXJLAULSI-SCLBCKFNSA-N 1 1 366.458 3.231 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000301144386 497969597 /nfs/dbraw/zinc/96/95/97/497969597.db2.gz FLESYQMPGBMRDF-JTQLQIEISA-N 1 1 351.204 3.464 20 5 FGBDMO CC[C@@H]1C[N@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CCCO1 ZINC000281127940 498028495 /nfs/dbraw/zinc/02/84/95/498028495.db2.gz CQQLKHGGPHLDEI-GFCCVEGCSA-N 1 1 360.357 3.206 20 5 FGBDMO CC[C@@H]1C[N@@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CCCO1 ZINC000281127940 498028497 /nfs/dbraw/zinc/02/84/97/498028497.db2.gz CQQLKHGGPHLDEI-GFCCVEGCSA-N 1 1 360.357 3.206 20 5 FGBDMO Cn1cc[nH+]c1N1CCC(Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000364603733 498045226 /nfs/dbraw/zinc/04/52/26/498045226.db2.gz IIRAVAUPGQCFKF-UHFFFAOYSA-N 1 1 367.356 3.011 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@@H](c4cccnc4)C3)o2)cc1 ZINC000575398364 505971626 /nfs/dbraw/zinc/97/16/26/505971626.db2.gz JCXHAVOVBNHOCS-OAHLLOKOSA-N 1 1 351.366 3.029 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000301334442 498061864 /nfs/dbraw/zinc/06/18/64/498061864.db2.gz NBNJCYCOOHHGDI-ZDUSSCGKSA-N 1 1 357.439 3.015 20 5 FGBDMO C[C@@H]1C[C@H](NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000281302177 498096987 /nfs/dbraw/zinc/09/69/87/498096987.db2.gz RMDPGISZGVEGMY-HIFRSBDPSA-N 1 1 366.421 3.012 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1CN(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000364704171 498101889 /nfs/dbraw/zinc/10/18/89/498101889.db2.gz IMUXKYCMLUUOMH-JXFKEZNVSA-N 1 1 370.453 3.123 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000364704171 498101898 /nfs/dbraw/zinc/10/18/98/498101898.db2.gz IMUXKYCMLUUOMH-JXFKEZNVSA-N 1 1 370.453 3.123 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000364704171 498101903 /nfs/dbraw/zinc/10/19/03/498101903.db2.gz IMUXKYCMLUUOMH-JXFKEZNVSA-N 1 1 370.453 3.123 20 5 FGBDMO Cc1noc([C@@H]2CCCC[N@@H+]2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)n1 ZINC000285547514 498125884 /nfs/dbraw/zinc/12/58/84/498125884.db2.gz GIEOYBOLCKQLPC-INIZCTEOSA-N 1 1 373.413 3.150 20 5 FGBDMO Cc1noc([C@@H]2CCCC[N@H+]2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)n1 ZINC000285547514 498125891 /nfs/dbraw/zinc/12/58/91/498125891.db2.gz GIEOYBOLCKQLPC-INIZCTEOSA-N 1 1 373.413 3.150 20 5 FGBDMO Cc1ccc(N2CCC[C@@H](C(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)[nH+]c1 ZINC000364790213 498142715 /nfs/dbraw/zinc/14/27/15/498142715.db2.gz UHIPQJGAQCNWHT-OAHLLOKOSA-N 1 1 354.410 3.178 20 5 FGBDMO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@H+](C3CCCC3)C2)c(Br)c1 ZINC000301532612 498150841 /nfs/dbraw/zinc/15/08/41/498150841.db2.gz LMRSUYGPOJMNTN-SNVBAGLBSA-N 1 1 355.236 3.181 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cc3)C2)cc(OC)c1 ZINC000301578728 498171090 /nfs/dbraw/zinc/17/10/90/498171090.db2.gz SCBOKPYBKCAWGC-MRXNPFEDSA-N 1 1 357.410 3.298 20 5 FGBDMO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1c(F)cncc1F ZINC000285696562 498174566 /nfs/dbraw/zinc/17/45/66/498174566.db2.gz OPPPRAOQBHQHAV-WDEREUQCSA-N 1 1 364.352 3.336 20 5 FGBDMO Cc1nc(C[NH+]2CCC(CNc3ccc([N+](=O)[O-])c(C)n3)CC2)cs1 ZINC000301688935 498224828 /nfs/dbraw/zinc/22/48/28/498224828.db2.gz XULNPBDUSVZATB-UHFFFAOYSA-N 1 1 361.471 3.387 20 5 FGBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000575789667 506005086 /nfs/dbraw/zinc/00/50/86/506005086.db2.gz ZSBBNGUNCIXQBO-JTQLQIEISA-N 1 1 360.361 3.046 20 5 FGBDMO CC(C)[C@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@H+]1C ZINC000331154508 498263805 /nfs/dbraw/zinc/26/38/05/498263805.db2.gz PHYWNGFXIWIYOC-MRXNPFEDSA-N 1 1 374.466 3.131 20 5 FGBDMO COCCOC[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000289761922 498282246 /nfs/dbraw/zinc/28/22/46/498282246.db2.gz JQNNNCPHJQVAEG-LLVKDONJSA-N 1 1 363.241 3.387 20 5 FGBDMO COCCOC[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000289761922 498282252 /nfs/dbraw/zinc/28/22/52/498282252.db2.gz JQNNNCPHJQVAEG-LLVKDONJSA-N 1 1 363.241 3.387 20 5 FGBDMO Cc1cc(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301835551 498286905 /nfs/dbraw/zinc/28/69/05/498286905.db2.gz ULBFCYQPSKETHD-ZFWWWQNUSA-N 1 1 353.426 3.397 20 5 FGBDMO COc1ccc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000569770245 506011698 /nfs/dbraw/zinc/01/16/98/506011698.db2.gz JPYDRRCCEMMCNM-SFHVURJKSA-N 1 1 372.421 3.273 20 5 FGBDMO CCc1nn(C)c(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000301919981 498327747 /nfs/dbraw/zinc/32/77/47/498327747.db2.gz CLCFYTQYTOELPS-RHSMWYFYSA-N 1 1 357.458 3.213 20 5 FGBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000302045488 498382913 /nfs/dbraw/zinc/38/29/13/498382913.db2.gz MXBDJMGEHCRRDG-JKSUJKDBSA-N 1 1 374.485 3.045 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000361751187 498426224 /nfs/dbraw/zinc/42/62/24/498426224.db2.gz LKTJEDZUNSXIIO-ZOBUZTSGSA-N 1 1 358.442 3.160 20 5 FGBDMO C[C@@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@H+](C2CCC2)C1 ZINC000293628590 498433734 /nfs/dbraw/zinc/43/37/34/498433734.db2.gz GHEDSCQBWGEEDG-ZDUSSCGKSA-N 1 1 356.426 3.023 20 5 FGBDMO Cc1cc([N+](=O)[O-])cnc1Nc1cccc2c1CC[N@@H+](CC(C)(C)O)C2 ZINC000302200661 498440516 /nfs/dbraw/zinc/44/05/16/498440516.db2.gz ZCKDEFZTUJQRFU-UHFFFAOYSA-N 1 1 356.426 3.171 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@H](C[C@H]4CCOC4)C3)n2)cc1 ZINC000362287321 498488171 /nfs/dbraw/zinc/48/81/71/498488171.db2.gz VJXRMAMHIORDDV-HUUCEWRRSA-N 1 1 372.425 3.283 20 5 FGBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000302795373 498578764 /nfs/dbraw/zinc/57/87/64/498578764.db2.gz OPIYJPVQCATVSH-GOSISDBHSA-N 1 1 356.426 3.001 20 5 FGBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C2)C1 ZINC000294087737 498585141 /nfs/dbraw/zinc/58/51/41/498585141.db2.gz KAEKRWJSXAUXHW-GOSISDBHSA-N 1 1 359.451 3.367 20 5 FGBDMO COCC(C)(C)CCC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000287025211 498596414 /nfs/dbraw/zinc/59/64/14/498596414.db2.gz LKCUCFWXIVHXBS-KRWDZBQOSA-N 1 1 360.458 3.460 20 5 FGBDMO O=C(Nc1nccs1)[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000363023711 498609432 /nfs/dbraw/zinc/60/94/32/498609432.db2.gz RGJZZHVXIOWAID-NSHDSACASA-N 1 1 364.402 3.041 20 5 FGBDMO O=C(Nc1nccs1)[C@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000363023711 498609438 /nfs/dbraw/zinc/60/94/38/498609438.db2.gz RGJZZHVXIOWAID-NSHDSACASA-N 1 1 364.402 3.041 20 5 FGBDMO C[C@H]1C[NH+](Cc2ccccc2NC(=O)CCC(C)(C)[N+](=O)[O-])C[C@H](C)O1 ZINC000294271358 498640606 /nfs/dbraw/zinc/64/06/06/498640606.db2.gz AYEMLOXAFMNIBP-GJZGRUSLSA-N 1 1 363.458 3.070 20 5 FGBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000363155958 498678346 /nfs/dbraw/zinc/67/83/46/498678346.db2.gz AGUNQXTUDFDRGI-KGLIPLIRSA-N 1 1 372.450 3.075 20 5 FGBDMO CC(C)(CN1CCCC1)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000308628134 498744761 /nfs/dbraw/zinc/74/47/61/498744761.db2.gz NWUMDJOYMJTDAP-UHFFFAOYSA-N 1 1 356.264 3.321 20 5 FGBDMO Cc1ccc([C@@H](C)NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000287507783 498781644 /nfs/dbraw/zinc/78/16/44/498781644.db2.gz GVNSXDVKOBZANC-KTFSGNIMSA-N 1 1 360.458 3.231 20 5 FGBDMO CCN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000366142753 498795560 /nfs/dbraw/zinc/79/55/60/498795560.db2.gz HEJXOPDFMSQFLH-MAUKXSAKSA-N 1 1 368.437 3.287 20 5 FGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000283193244 498812315 /nfs/dbraw/zinc/81/23/15/498812315.db2.gz QXVJGHKPMSMBKC-UHFFFAOYSA-N 1 1 371.412 3.471 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)C1CCN(c2ccc(Cl)cc2)CC1 ZINC000363498054 498849170 /nfs/dbraw/zinc/84/91/70/498849170.db2.gz CEZBTVBHBPWILB-UHFFFAOYSA-N 1 1 363.849 3.083 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)C1CCN(c2ccc(Cl)cc2)CC1 ZINC000363498054 498849175 /nfs/dbraw/zinc/84/91/75/498849175.db2.gz CEZBTVBHBPWILB-UHFFFAOYSA-N 1 1 363.849 3.083 20 5 FGBDMO Cc1cc(Cl)c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000295106598 498911540 /nfs/dbraw/zinc/91/15/40/498911540.db2.gz ZOITVKIEAQOUKK-SWLSCSKDSA-N 1 1 351.834 3.113 20 5 FGBDMO Cc1cc(Cl)c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000295106596 498911962 /nfs/dbraw/zinc/91/19/62/498911962.db2.gz ZOITVKIEAQOUKK-DOMZBBRYSA-N 1 1 351.834 3.113 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000295132389 498921087 /nfs/dbraw/zinc/92/10/87/498921087.db2.gz YQGNXCSHHPKTGC-LJQANCHMSA-N 1 1 370.453 3.033 20 5 FGBDMO Cc1[nH+]ccn1CCCCNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000283646690 498946166 /nfs/dbraw/zinc/94/61/66/498946166.db2.gz CGRVUZDMDKTOIF-UHFFFAOYSA-N 1 1 351.794 3.355 20 5 FGBDMO CCC[N@@H+]1Cc2cccc(NC(=O)c3cc([N+](=O)[O-])c(F)cc3N)c2C1 ZINC000284126712 499054302 /nfs/dbraw/zinc/05/43/02/499054302.db2.gz VHQTUUMGGFZPEE-UHFFFAOYSA-N 1 1 358.373 3.294 20 5 FGBDMO CCC[N@H+]1Cc2cccc(NC(=O)c3cc([N+](=O)[O-])c(F)cc3N)c2C1 ZINC000284126712 499054307 /nfs/dbraw/zinc/05/43/07/499054307.db2.gz VHQTUUMGGFZPEE-UHFFFAOYSA-N 1 1 358.373 3.294 20 5 FGBDMO CCOc1cc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)ccc1[N+](=O)[O-] ZINC000366787225 499074189 /nfs/dbraw/zinc/07/41/89/499074189.db2.gz KUKYEJLBIDIJDR-VCBZYWHSSA-N 1 1 364.442 3.152 20 5 FGBDMO CCOc1cc(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)ccc1[N+](=O)[O-] ZINC000366787225 499074192 /nfs/dbraw/zinc/07/41/92/499074192.db2.gz KUKYEJLBIDIJDR-VCBZYWHSSA-N 1 1 364.442 3.152 20 5 FGBDMO CCOc1cc(C[N@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000295666784 499075848 /nfs/dbraw/zinc/07/58/48/499075848.db2.gz QYWBESGFDPPEDE-HNNXBMFYSA-N 1 1 363.458 3.107 20 5 FGBDMO Cc1ccc([C@H](C)[NH2+]Cc2cnnn2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000291854329 499085884 /nfs/dbraw/zinc/08/58/84/499085884.db2.gz DQWJDXIYWIHBRK-HNNXBMFYSA-N 1 1 351.410 3.394 20 5 FGBDMO C[N@@H+](C[C@@H]1CC12CCN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)CC2)C1CC1 ZINC000367308544 499178328 /nfs/dbraw/zinc/17/83/28/499178328.db2.gz DQCIIWYTIQUZPM-QVNOTHCHSA-N 1 1 369.465 3.331 20 5 FGBDMO Cc1ncc(C[N@H+]2CC[C@@H](Nc3ccc(N)cc3[N+](=O)[O-])[C@@H](C)C2)s1 ZINC000367349739 499186400 /nfs/dbraw/zinc/18/64/00/499186400.db2.gz UWCQATIJVUYCBR-XHDPSFHLSA-N 1 1 361.471 3.264 20 5 FGBDMO COCc1nccc([C@@H]2CCC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)n1 ZINC000367418431 499196688 /nfs/dbraw/zinc/19/66/88/499196688.db2.gz HZINENZRFZUHHE-MRXNPFEDSA-N 1 1 356.426 3.219 20 5 FGBDMO Cn1ccnc1[C@@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000368135683 499268252 /nfs/dbraw/zinc/26/82/52/499268252.db2.gz RMXZHUAQGFYVLR-CQSZACIVSA-N 1 1 369.450 3.441 20 5 FGBDMO CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000371123603 499290792 /nfs/dbraw/zinc/29/07/92/499290792.db2.gz MUCJQYQRQAGNDQ-CYBMUJFWSA-N 1 1 362.817 3.312 20 5 FGBDMO Cc1c(C(=O)N2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000368474295 499299595 /nfs/dbraw/zinc/29/95/95/499299595.db2.gz GOHPIEGHNOQTPG-HNNXBMFYSA-N 1 1 357.454 3.240 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1c1ccc(CNC(C)=O)o1 ZINC000368760158 499328894 /nfs/dbraw/zinc/32/88/94/499328894.db2.gz DRLGGMZFOROIFU-QGZVFWFLSA-N 1 1 373.409 3.170 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1c1ccc(CNC(C)=O)o1 ZINC000368760158 499328895 /nfs/dbraw/zinc/32/88/95/499328895.db2.gz DRLGGMZFOROIFU-QGZVFWFLSA-N 1 1 373.409 3.170 20 5 FGBDMO Cc1cc(C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2cccs2)cc([N+](=O)[O-])c1 ZINC000369571406 499420644 /nfs/dbraw/zinc/42/06/44/499420644.db2.gz WUKCJPDPRZTBQA-DYVFJYSZSA-N 1 1 359.451 3.388 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(CN3C[C@@H]4C[N@H+]5CCCC[C@@H]5[C@H]4C3)co2)cc1 ZINC000372385846 499427191 /nfs/dbraw/zinc/42/71/91/499427191.db2.gz RKDCLIUNOKNBHK-AYOQOUSVSA-N 1 1 368.437 3.166 20 5 FGBDMO Cc1nc(CO[C@H]2CC[N@@H+](CCOc3ccccc3[N+](=O)[O-])C2)cs1 ZINC000372946870 499444223 /nfs/dbraw/zinc/44/42/23/499444223.db2.gz PHQWTVFUPDRMAA-HNNXBMFYSA-N 1 1 363.439 3.030 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000373487669 499472912 /nfs/dbraw/zinc/47/29/12/499472912.db2.gz XDBCZUYCUCSHNH-UHFFFAOYSA-N 1 1 357.376 3.490 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCC[C@@H](c4nnc[nH]4)C3)cs2)c1 ZINC000378348123 499504499 /nfs/dbraw/zinc/50/44/99/499504499.db2.gz XDOSAJKTWUPLTB-CYBMUJFWSA-N 1 1 370.438 3.216 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCC[C@@H](c4nnc[nH]4)C3)cs2)c1 ZINC000378348123 499504501 /nfs/dbraw/zinc/50/45/01/499504501.db2.gz XDOSAJKTWUPLTB-CYBMUJFWSA-N 1 1 370.438 3.216 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2nc(CN3CCC[N@H+]4CCC[C@@H]4C3)cs2)c1 ZINC000378353030 499505941 /nfs/dbraw/zinc/50/59/41/499505941.db2.gz YCYCRISVJSFRFZ-QGZVFWFLSA-N 1 1 358.467 3.388 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000378506775 499525296 /nfs/dbraw/zinc/52/52/96/499525296.db2.gz JFBJPRGXZLHECG-VQIMIIECSA-N 1 1 360.502 3.065 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000378506775 499525297 /nfs/dbraw/zinc/52/52/97/499525297.db2.gz JFBJPRGXZLHECG-VQIMIIECSA-N 1 1 360.502 3.065 20 5 FGBDMO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCC(Cc2[nH]cc[nH+]2)CC1 ZINC000375525662 499528729 /nfs/dbraw/zinc/52/87/29/499528729.db2.gz MPHCNOZMFCYZEB-UHFFFAOYSA-N 1 1 355.320 3.191 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC000388431445 499550703 /nfs/dbraw/zinc/55/07/03/499550703.db2.gz UOGGUFHSLWDGKD-MSOLQXFVSA-N 1 1 352.438 3.257 20 5 FGBDMO C[C@@H]([NH2+]CCN1CCN(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000390909742 499556241 /nfs/dbraw/zinc/55/62/41/499556241.db2.gz NRDVZYAZFKPTLO-GOSISDBHSA-N 1 1 368.481 3.063 20 5 FGBDMO C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000375888523 499565091 /nfs/dbraw/zinc/56/50/91/499565091.db2.gz FQEBJSCBLHPJDE-DOTOQJQBSA-N 1 1 359.813 3.076 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@]4(CCCCO4)C3)n2)c1 ZINC000376034971 499577826 /nfs/dbraw/zinc/57/78/26/499577826.db2.gz OTAZZRSQLPSDDW-GOSISDBHSA-N 1 1 358.398 3.180 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@]4(CCCCO4)C3)n2)c1 ZINC000376034971 499577827 /nfs/dbraw/zinc/57/78/27/499577827.db2.gz OTAZZRSQLPSDDW-GOSISDBHSA-N 1 1 358.398 3.180 20 5 FGBDMO CC(=O)c1cc(N[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000376174788 499588804 /nfs/dbraw/zinc/58/88/04/499588804.db2.gz UMGACAINKMDBMC-FDQGKXFDSA-N 1 1 361.442 3.099 20 5 FGBDMO CC(=O)c1ccc(NC2CC[NH+](Cc3cccnc3)CC2)c([N+](=O)[O-])c1 ZINC000377604603 499709193 /nfs/dbraw/zinc/70/91/93/499709193.db2.gz VPVQUDURLSFSAK-UHFFFAOYSA-N 1 1 354.410 3.269 20 5 FGBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC000411415886 499737217 /nfs/dbraw/zinc/73/72/17/499737217.db2.gz KLAZLXCTGLCBKW-QGZVFWFLSA-N 1 1 370.409 3.164 20 5 FGBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2c2ccncc2)c([N+](=O)[O-])c1 ZINC000411416917 499737670 /nfs/dbraw/zinc/73/76/70/499737670.db2.gz LUFHHZCFCJEJSM-KRWDZBQOSA-N 1 1 370.409 3.164 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411441400 499741015 /nfs/dbraw/zinc/74/10/15/499741015.db2.gz PTGYQQXEEUNHRF-AYOQOUSVSA-N 1 1 359.470 3.469 20 5 FGBDMO COC(=O)c1c(C)[nH]c(C(=O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000411470929 499744717 /nfs/dbraw/zinc/74/47/17/499744717.db2.gz CYUNMRKLRMEDKK-GFCCVEGCSA-N 1 1 373.409 3.168 20 5 FGBDMO C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000414405255 499787477 /nfs/dbraw/zinc/78/74/77/499787477.db2.gz JLINNICPMUMMOL-AWEZNQCLSA-N 1 1 372.400 3.472 20 5 FGBDMO C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1Cc1ccccc1 ZINC000414405255 499787478 /nfs/dbraw/zinc/78/74/78/499787478.db2.gz JLINNICPMUMMOL-AWEZNQCLSA-N 1 1 372.400 3.472 20 5 FGBDMO COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1C ZINC000411771481 499788921 /nfs/dbraw/zinc/78/89/21/499788921.db2.gz OMIKQSVUMCHCPL-AAEUAGOBSA-N 1 1 373.409 3.248 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411918867 499803372 /nfs/dbraw/zinc/80/33/72/499803372.db2.gz ALXXUKQLVYOCEZ-IEBWSBKVSA-N 1 1 369.421 3.040 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000411979708 499809283 /nfs/dbraw/zinc/80/92/83/499809283.db2.gz ILTQJHVBAYTGTB-GOSISDBHSA-N 1 1 353.422 3.026 20 5 FGBDMO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000412704726 499878252 /nfs/dbraw/zinc/87/82/52/499878252.db2.gz ZUZMKNIQKSCDLV-AWEZNQCLSA-N 1 1 357.385 3.080 20 5 FGBDMO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1Cc1ccccc1 ZINC000412704726 499878253 /nfs/dbraw/zinc/87/82/53/499878253.db2.gz ZUZMKNIQKSCDLV-AWEZNQCLSA-N 1 1 357.385 3.080 20 5 FGBDMO C[C@@H](c1cccnc1)[NH+]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413140852 499918945 /nfs/dbraw/zinc/91/89/45/499918945.db2.gz LXPZZMYZHRUKAC-HNNXBMFYSA-N 1 1 363.421 3.421 20 5 FGBDMO C[N@@H+](CCCCNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)C1CC1 ZINC000413344388 499943561 /nfs/dbraw/zinc/94/35/61/499943561.db2.gz CLCFIDAEMULMSC-UHFFFAOYSA-N 1 1 360.458 3.117 20 5 FGBDMO C[C@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)CC[N@H+]1Cc1ccccc1 ZINC000413531590 499981862 /nfs/dbraw/zinc/98/18/62/499981862.db2.gz MOGLSPVHNYMZQP-HNNXBMFYSA-N 1 1 363.421 3.249 20 5 FGBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])Cc2ccccc2O1 ZINC000429140198 500011383 /nfs/dbraw/zinc/01/13/83/500011383.db2.gz IMTDAUXWEXJVMG-CQSZACIVSA-N 1 1 355.394 3.207 20 5 FGBDMO CC(C)([NH2+]CC(=O)NCc1cccc(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000429266219 500037918 /nfs/dbraw/zinc/03/79/18/500037918.db2.gz WDWIRKOTDGPMJT-UHFFFAOYSA-N 1 1 361.829 3.389 20 5 FGBDMO Cc1ccc(C)c(C[N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC000429300219 500046561 /nfs/dbraw/zinc/04/65/61/500046561.db2.gz HVRPTCRBNXGTFA-UHFFFAOYSA-N 1 1 353.422 3.233 20 5 FGBDMO Cc1ccc(C)c(C[N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC000429300219 500046562 /nfs/dbraw/zinc/04/65/62/500046562.db2.gz HVRPTCRBNXGTFA-UHFFFAOYSA-N 1 1 353.422 3.233 20 5 FGBDMO COC(=O)[C@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1C(C)C ZINC000429362320 500060061 /nfs/dbraw/zinc/06/00/61/500060061.db2.gz MMGRJSZEEKNOEC-IRXDYDNUSA-N 1 1 373.409 3.269 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1CN1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000425421773 500101235 /nfs/dbraw/zinc/10/12/35/500101235.db2.gz WEDSNJUEJURGPT-GFCCVEGCSA-N 1 1 365.231 3.460 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425557024 500146205 /nfs/dbraw/zinc/14/62/05/500146205.db2.gz VPBSOOJAUXBRQL-LJQANCHMSA-N 1 1 373.453 3.123 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425557024 500146208 /nfs/dbraw/zinc/14/62/08/500146208.db2.gz VPBSOOJAUXBRQL-LJQANCHMSA-N 1 1 373.453 3.123 20 5 FGBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000429805450 500148167 /nfs/dbraw/zinc/14/81/67/500148167.db2.gz INTFLVRTNAWKSX-OAHLLOKOSA-N 1 1 361.486 3.499 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000430211335 500209602 /nfs/dbraw/zinc/20/96/02/500209602.db2.gz IFMCLEXATVJXSV-HZPDHXFCSA-N 1 1 352.456 3.090 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](O)[C@H](C)C2)cc1OC ZINC000426152718 500241743 /nfs/dbraw/zinc/24/17/43/500241743.db2.gz HPZPFGBLHYXTJB-VBQJREDUSA-N 1 1 366.458 3.231 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@H](O)[C@H](C)C2)cc1OC ZINC000426152718 500241746 /nfs/dbraw/zinc/24/17/46/500241746.db2.gz HPZPFGBLHYXTJB-VBQJREDUSA-N 1 1 366.458 3.231 20 5 FGBDMO C[C@@H]1OCC[C@]1(O)C[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000576552185 506184341 /nfs/dbraw/zinc/18/43/41/506184341.db2.gz FAAIOANQIQJOCM-JXFKEZNVSA-N 1 1 356.422 3.137 20 5 FGBDMO Cc1c(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cccc1[N+](=O)[O-] ZINC000423081844 500339801 /nfs/dbraw/zinc/33/98/01/500339801.db2.gz VTDRRRGANALBPK-PXNSSMCTSA-N 1 1 353.422 3.249 20 5 FGBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000427785564 500432541 /nfs/dbraw/zinc/43/25/41/500432541.db2.gz BFQJEDFAFYAWQG-OKILXGFUSA-N 1 1 363.483 3.121 20 5 FGBDMO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427914707 500445520 /nfs/dbraw/zinc/44/55/20/500445520.db2.gz RBVOVBSSOPODDB-UHFFFAOYSA-N 1 1 369.421 3.216 20 5 FGBDMO O=C(C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000420948852 500539043 /nfs/dbraw/zinc/53/90/43/500539043.db2.gz OFLSQKYGNAUVFD-LBPRGKRZSA-N 1 1 371.359 3.148 20 5 FGBDMO O=C(C[N@H+]1CCC[C@@H](CC(F)(F)F)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000420948852 500539044 /nfs/dbraw/zinc/53/90/44/500539044.db2.gz OFLSQKYGNAUVFD-LBPRGKRZSA-N 1 1 371.359 3.148 20 5 FGBDMO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000428780714 500556231 /nfs/dbraw/zinc/55/62/31/500556231.db2.gz CMAQGUUAGNSKCD-IBGZPJMESA-N 1 1 358.369 3.051 20 5 FGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000433072868 500619584 /nfs/dbraw/zinc/61/95/84/500619584.db2.gz QJYLAIQSVYNQRL-IBGZPJMESA-N 1 1 358.438 3.417 20 5 FGBDMO CCN1CCN(C[C@H](C)C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433115481 500629421 /nfs/dbraw/zinc/62/94/21/500629421.db2.gz IIWBAQMTUZXCDJ-UZLBHIALSA-N 1 1 374.529 3.180 20 5 FGBDMO COc1cc(C[N@H+]2CCCC[C@H]2C[C@@H](C)O)c([N+](=O)[O-])cc1OC(F)F ZINC000447844240 500677026 /nfs/dbraw/zinc/67/70/26/500677026.db2.gz PLZFUDOISBAOAW-YPMHNXCESA-N 1 1 374.384 3.330 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000447963232 500697505 /nfs/dbraw/zinc/69/75/05/500697505.db2.gz MUXJROBDEFCOSV-YOEHRIQHSA-N 1 1 362.474 3.384 20 5 FGBDMO C[C@@H]1C[C@H](c2ccccc2)CC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000439315406 500883882 /nfs/dbraw/zinc/88/38/82/500883882.db2.gz BIRXCLZPZOXAIN-GDBMZVCRSA-N 1 1 353.422 3.462 20 5 FGBDMO COc1cc(C[N@@H+](C[C@H](O)COc2ccccc2)C(C)C)ccc1[N+](=O)[O-] ZINC000444816835 500906788 /nfs/dbraw/zinc/90/67/88/500906788.db2.gz ZDIVHOMHCMDSJA-KRWDZBQOSA-N 1 1 374.437 3.254 20 5 FGBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445178154 500951909 /nfs/dbraw/zinc/95/19/09/500951909.db2.gz XHNZBBOGCGOOHN-CQSZACIVSA-N 1 1 374.444 3.252 20 5 FGBDMO CCc1cccc(OCC[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000440498475 501016293 /nfs/dbraw/zinc/01/62/93/501016293.db2.gz YGSMRNOXNCAHNX-MRXNPFEDSA-N 1 1 356.426 3.117 20 5 FGBDMO COC[C@@]1(CO)CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000449699196 501064929 /nfs/dbraw/zinc/06/49/29/501064929.db2.gz PHOUHVQPWDMXJP-SFHVURJKSA-N 1 1 362.451 3.154 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000446045090 501066112 /nfs/dbraw/zinc/06/61/12/501066112.db2.gz PVIOKGJUFHLXHR-ZDUSSCGKSA-N 1 1 351.834 3.303 20 5 FGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000436260574 501096931 /nfs/dbraw/zinc/09/69/31/501096931.db2.gz MHODZRRXJYPQCI-HBGVWJBISA-N 1 1 367.449 3.241 20 5 FGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000436260574 501096933 /nfs/dbraw/zinc/09/69/33/501096933.db2.gz MHODZRRXJYPQCI-HBGVWJBISA-N 1 1 367.449 3.241 20 5 FGBDMO CCC[C@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)CC[N@H+]1CCOC ZINC000450416345 501116796 /nfs/dbraw/zinc/11/67/96/501116796.db2.gz FVETUMQCZWOJNH-KRWDZBQOSA-N 1 1 358.442 3.080 20 5 FGBDMO CCC[C@@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])CC[N@H+]1CCOC ZINC000450418057 501116929 /nfs/dbraw/zinc/11/69/29/501116929.db2.gz KQGLVUWTJBRLHH-OAHLLOKOSA-N 1 1 358.442 3.080 20 5 FGBDMO C[C@@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)[N@@H+](C)C1CC1 ZINC000436419461 501124460 /nfs/dbraw/zinc/12/44/60/501124460.db2.gz XUNZPUFJIPGBPL-LBPRGKRZSA-N 1 1 367.424 3.033 20 5 FGBDMO COc1ccccc1C[NH+]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000441483682 501146653 /nfs/dbraw/zinc/14/66/53/501146653.db2.gz WNQDHKHOIZVHAK-INIZCTEOSA-N 1 1 355.438 3.482 20 5 FGBDMO COCCCOc1cccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000446833453 501170509 /nfs/dbraw/zinc/17/05/09/501170509.db2.gz CXIJIGFVMRCVGT-UHFFFAOYSA-N 1 1 370.409 3.176 20 5 FGBDMO C[N@@H+](Cc1ccccc1)C1(CNc2cccc(C(N)=O)c2[N+](=O)[O-])CCC1 ZINC000450717998 501192676 /nfs/dbraw/zinc/19/26/76/501192676.db2.gz RQTYDHNTGXLMHI-UHFFFAOYSA-N 1 1 368.437 3.160 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000447077615 501202076 /nfs/dbraw/zinc/20/20/76/501202076.db2.gz OAVCYYPFRSCQBN-ZWKOTPCHSA-N 1 1 355.438 3.198 20 5 FGBDMO CCOCC[N@H+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)C[C@H]1CC ZINC000450311983 501231081 /nfs/dbraw/zinc/23/10/81/501231081.db2.gz KALTYRBEPJDKIU-MRXNPFEDSA-N 1 1 358.442 3.080 20 5 FGBDMO CCOc1ccc(NC(=O)Cn2c[nH+]c3c2C[C@H](C)[C@@H](C)C3)c([N+](=O)[O-])c1 ZINC000450997764 501237779 /nfs/dbraw/zinc/23/77/79/501237779.db2.gz KMRHSQKUFDOPKF-STQMWFEESA-N 1 1 372.425 3.200 20 5 FGBDMO CC(C)(C[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1)C(N)=O ZINC000451212636 501252459 /nfs/dbraw/zinc/25/24/59/501252459.db2.gz BTGHUOYVASDINM-LBPRGKRZSA-N 1 1 353.850 3.362 20 5 FGBDMO COc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545422 501319371 /nfs/dbraw/zinc/31/93/71/501319371.db2.gz HGNHMUVVRHXJLG-MRXNPFEDSA-N 1 1 369.421 3.422 20 5 FGBDMO COc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545422 501319374 /nfs/dbraw/zinc/31/93/74/501319374.db2.gz HGNHMUVVRHXJLG-MRXNPFEDSA-N 1 1 369.421 3.422 20 5 FGBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](c3cccc(Br)c3)C2)c1 ZINC000451564902 501326094 /nfs/dbraw/zinc/32/60/94/501326094.db2.gz HBRJSXDSUDJUQU-CYBMUJFWSA-N 1 1 365.231 3.043 20 5 FGBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H](c3cccc(Br)c3)C2)c1 ZINC000451564902 501326097 /nfs/dbraw/zinc/32/60/97/501326097.db2.gz HBRJSXDSUDJUQU-CYBMUJFWSA-N 1 1 365.231 3.043 20 5 FGBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2ccc(OCC3CC3)cc2)CC1 ZINC000453580457 501353071 /nfs/dbraw/zinc/35/30/71/501353071.db2.gz UENJYUXJDUQSJX-UHFFFAOYSA-N 1 1 368.437 3.101 20 5 FGBDMO CO[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C12CCC2 ZINC000451863556 501388691 /nfs/dbraw/zinc/38/86/91/501388691.db2.gz YWFUBXBLDKHXIM-IRXDYDNUSA-N 1 1 361.442 3.121 20 5 FGBDMO Cc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000456318012 501496582 /nfs/dbraw/zinc/49/65/82/501496582.db2.gz ZRCVAZGVSRAYMG-INIZCTEOSA-N 1 1 367.449 3.497 20 5 FGBDMO CC[N@@H+](CCNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C(C)C ZINC000454464744 501551663 /nfs/dbraw/zinc/55/16/63/501551663.db2.gz JZZJMBHBKCPNMM-KRWDZBQOSA-N 1 1 362.474 3.214 20 5 FGBDMO C[N@H+](Cc1ccccc1)C1(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCC1 ZINC000452735818 501554036 /nfs/dbraw/zinc/55/40/36/501554036.db2.gz YCEYJORNZLSNBR-UHFFFAOYSA-N 1 1 369.421 3.085 20 5 FGBDMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCC1 ZINC000452735818 501554037 /nfs/dbraw/zinc/55/40/37/501554037.db2.gz YCEYJORNZLSNBR-UHFFFAOYSA-N 1 1 369.421 3.085 20 5 FGBDMO O=c1cc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)nc(C2CC2)[nH]1 ZINC000459355432 501638073 /nfs/dbraw/zinc/63/80/73/501638073.db2.gz MWOLRKFMYJYCKO-UHFFFAOYSA-N 1 1 370.409 3.011 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611706771 506266310 /nfs/dbraw/zinc/26/63/10/506266310.db2.gz JNZPHMNAMXVNCV-KRWDZBQOSA-N 1 1 363.421 3.249 20 5 FGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000457177086 501662354 /nfs/dbraw/zinc/66/23/54/501662354.db2.gz OJRMULIIHQMOSE-CYBMUJFWSA-N 1 1 351.472 3.066 20 5 FGBDMO C[C@H]([NH2+][C@@H](C)c1nc2c(s1)CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000459631652 501690022 /nfs/dbraw/zinc/69/00/22/501690022.db2.gz JATQIYNWVWRKTI-QWRGUYRKSA-N 1 1 360.439 3.218 20 5 FGBDMO COCC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H]1CC=CCC1 ZINC000485135122 501733825 /nfs/dbraw/zinc/73/38/25/501733825.db2.gz WLRUVTVFLFUBKJ-HNNXBMFYSA-N 1 1 372.425 3.450 20 5 FGBDMO CCO[C@H]1C[C@@H]([N@@H+](C)CCOc2ccc(OC)cc2[N+](=O)[O-])C12CCC2 ZINC000477843360 501805297 /nfs/dbraw/zinc/80/52/97/501805297.db2.gz CATXSTAHEPTOMR-MSOLQXFVSA-N 1 1 364.442 3.262 20 5 FGBDMO C[NH+](C)Cc1cc(NC(=O)CNc2ccccc2[N+](=O)[O-])ccc1Cl ZINC000467757317 501862086 /nfs/dbraw/zinc/86/20/86/501862086.db2.gz JXIKOILPSQYTDR-UHFFFAOYSA-N 1 1 362.817 3.360 20 5 FGBDMO C[N@@H+](CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1 ZINC000481998818 501940637 /nfs/dbraw/zinc/94/06/37/501940637.db2.gz JPPRNDMJUCAICG-UHFFFAOYSA-N 1 1 373.428 3.260 20 5 FGBDMO Cc1cc(C)c2c(c1)C[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000485882402 501973821 /nfs/dbraw/zinc/97/38/21/501973821.db2.gz ODHMPZUGXFWNLG-UHFFFAOYSA-N 1 1 353.422 3.233 20 5 FGBDMO Cc1cc(C)c2c(c1)C[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000485882402 501973824 /nfs/dbraw/zinc/97/38/24/501973824.db2.gz ODHMPZUGXFWNLG-UHFFFAOYSA-N 1 1 353.422 3.233 20 5 FGBDMO Cc1cc(C)c2c(c1)C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000485885051 501976527 /nfs/dbraw/zinc/97/65/27/501976527.db2.gz UGRRZXGEOFBGBI-SFHVURJKSA-N 1 1 356.422 3.010 20 5 FGBDMO CC[C@@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CCO1 ZINC000486030793 502024785 /nfs/dbraw/zinc/02/47/85/502024785.db2.gz SDLFONNJZCRYRB-OAHLLOKOSA-N 1 1 351.447 3.295 20 5 FGBDMO CC[C@@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CCO1 ZINC000486030793 502024788 /nfs/dbraw/zinc/02/47/88/502024788.db2.gz SDLFONNJZCRYRB-OAHLLOKOSA-N 1 1 351.447 3.295 20 5 FGBDMO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000464615048 502045111 /nfs/dbraw/zinc/04/51/11/502045111.db2.gz GEAYTMUDJGLTJS-ZDUSSCGKSA-N 1 1 373.457 3.452 20 5 FGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000468458290 502063046 /nfs/dbraw/zinc/06/30/46/502063046.db2.gz IEFNXCWRACVKCR-CJNGLKHVSA-N 1 1 365.499 3.312 20 5 FGBDMO CO[C@@]1(C)C[C@@H]([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000464819437 502105485 /nfs/dbraw/zinc/10/54/85/502105485.db2.gz BFRWCKAYVUCKKO-PBHICJAKSA-N 1 1 369.849 3.322 20 5 FGBDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000464819437 502105488 /nfs/dbraw/zinc/10/54/88/502105488.db2.gz BFRWCKAYVUCKKO-PBHICJAKSA-N 1 1 369.849 3.322 20 5 FGBDMO C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000582558346 506293885 /nfs/dbraw/zinc/29/38/85/506293885.db2.gz AYBBVZNLQWGXNA-MRXNPFEDSA-N 1 1 359.470 3.464 20 5 FGBDMO C[C@@H]1C[NH+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C[C@H]1C ZINC000464846090 502116629 /nfs/dbraw/zinc/11/66/29/502116629.db2.gz QNPVNVQTGPLDJK-VXGBXAGGSA-N 1 1 360.439 3.245 20 5 FGBDMO COc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000471813031 502143612 /nfs/dbraw/zinc/14/36/12/502143612.db2.gz XPFKSBAKPJXZDO-KDOFPFPSSA-N 1 1 372.421 3.138 20 5 FGBDMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)c1 ZINC000471961680 502185112 /nfs/dbraw/zinc/18/51/12/502185112.db2.gz VIIBJFNUPNEZJZ-UHFFFAOYSA-N 1 1 358.442 3.475 20 5 FGBDMO CCOc1cc(N2CC[NH+](Cc3cccc(OC)c3)CC2)ccc1[N+](=O)[O-] ZINC000475505990 502195330 /nfs/dbraw/zinc/19/53/30/502195330.db2.gz BLOUWGFTOPBCLR-UHFFFAOYSA-N 1 1 371.437 3.324 20 5 FGBDMO Cc1[nH+]ccn1CCNC(=O)c1cc([N+](=O)[O-])ccc1SCC(C)C ZINC000486690722 502232822 /nfs/dbraw/zinc/23/28/22/502232822.db2.gz VXBQAACAGNCVQW-UHFFFAOYSA-N 1 1 362.455 3.278 20 5 FGBDMO Cc1cc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c(F)cc1[N+](=O)[O-] ZINC000461948209 502248657 /nfs/dbraw/zinc/24/86/57/502248657.db2.gz MDYYMEGHPCDMQW-SJLPKXTDSA-N 1 1 373.428 3.337 20 5 FGBDMO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+]CC=Cc3ccccc3[N+](=O)[O-])n2)c1 ZINC000486792499 502263349 /nfs/dbraw/zinc/26/33/49/502263349.db2.gz SCWJSYMUMQETBW-DYLGSBMWSA-N 1 1 364.409 3.447 20 5 FGBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000469034691 502272191 /nfs/dbraw/zinc/27/21/91/502272191.db2.gz RGNHNBMLWQGZFP-UHFFFAOYSA-N 1 1 373.319 3.043 20 5 FGBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000462016193 502275418 /nfs/dbraw/zinc/27/54/18/502275418.db2.gz QOELSYSCKGZSOI-OAHLLOKOSA-N 1 1 362.474 3.389 20 5 FGBDMO Cc1c(CNC(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)cccc1[N+](=O)[O-] ZINC000479734636 502360277 /nfs/dbraw/zinc/36/02/77/502360277.db2.gz KNGGOHWBSOXTAV-MRXNPFEDSA-N 1 1 362.474 3.070 20 5 FGBDMO C[C@H]1OCC[C@]1(O)C[N@@H+](Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000582586189 506310565 /nfs/dbraw/zinc/31/05/65/506310565.db2.gz ZXBNUNQTEJMOCV-UZLBHIALSA-N 1 1 356.422 3.137 20 5 FGBDMO C[C@H](c1ccsc1)[NH+]1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000462475767 502454319 /nfs/dbraw/zinc/45/43/19/502454319.db2.gz XMOQGXXOPDWUOH-OAHLLOKOSA-N 1 1 361.467 3.414 20 5 FGBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466215807 502506143 /nfs/dbraw/zinc/50/61/43/502506143.db2.gz HHSVGVFCCOGFPL-BETUJISGSA-N 1 1 368.865 3.310 20 5 FGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)Cc1ccc(Br)s1 ZINC000611821664 506319939 /nfs/dbraw/zinc/31/99/39/506319939.db2.gz GAKPVZTUGKWFGY-UHFFFAOYSA-N 1 1 359.249 3.056 20 5 FGBDMO COCC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCC[C@H]1C ZINC000488009571 502599165 /nfs/dbraw/zinc/59/91/65/502599165.db2.gz NRKGJOOGDDUFBU-DYVFJYSZSA-N 1 1 350.415 3.098 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000484483887 502650278 /nfs/dbraw/zinc/65/02/78/502650278.db2.gz CTWZZZPUIHTVFP-INIZCTEOSA-N 1 1 361.486 3.357 20 5 FGBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000462990912 502652810 /nfs/dbraw/zinc/65/28/10/502652810.db2.gz JFGHKYMOYLLNFQ-MOPGFXCFSA-N 1 1 373.497 3.354 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@H+](CCO)Cc2cccc(Br)c2)cc1 ZINC000488219754 502662958 /nfs/dbraw/zinc/66/29/58/502662958.db2.gz NAKHRPOSTYYSIH-UHFFFAOYSA-N 1 1 365.227 3.352 20 5 FGBDMO O=c1cc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)cc[nH]1 ZINC000602855042 506327442 /nfs/dbraw/zinc/32/74/42/506327442.db2.gz OUSMQJJDGOYVSP-QAQDUYKDSA-N 1 1 357.410 3.001 20 5 FGBDMO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000470140638 502675860 /nfs/dbraw/zinc/67/58/60/502675860.db2.gz KTRGGNCWFHDKLE-UHFFFAOYSA-N 1 1 372.400 3.474 20 5 FGBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc2sccn2c1[N+](=O)[O-] ZINC000463068799 502682225 /nfs/dbraw/zinc/68/22/25/502682225.db2.gz MMOZYQZNXYIIJA-OAHLLOKOSA-N 1 1 371.466 3.262 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000470170774 502692224 /nfs/dbraw/zinc/69/22/24/502692224.db2.gz AFJVQUACAJTAMJ-QIPRVMPFSA-N 1 1 357.454 3.333 20 5 FGBDMO CC[N@@H+](CCc1cccs1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000488359491 502692303 /nfs/dbraw/zinc/69/23/03/502692303.db2.gz MANOIDKTPLGNGM-QGZVFWFLSA-N 1 1 359.451 3.326 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000488484643 502728829 /nfs/dbraw/zinc/72/88/29/502728829.db2.gz VEPNPXQGDJYMRI-LIRRHRJNSA-N 1 1 371.412 3.374 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000488518004 502738685 /nfs/dbraw/zinc/73/86/85/502738685.db2.gz PIOBNLUKPDSCOV-CZUORRHYSA-N 1 1 359.451 3.297 20 5 FGBDMO Cc1cc(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000467047571 502770996 /nfs/dbraw/zinc/77/09/96/502770996.db2.gz RTWHHNKFJKNVBP-CRAIPNDOSA-N 1 1 353.422 3.296 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)CC[C@H]1CCCO1 ZINC000467131078 502798068 /nfs/dbraw/zinc/79/80/68/502798068.db2.gz VNJBWMMPINZWJL-DGCLKSJQSA-N 1 1 355.822 3.076 20 5 FGBDMO C[C@@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488773473 502808427 /nfs/dbraw/zinc/80/84/27/502808427.db2.gz WDQHIVXLTBEDCO-ZDUSSCGKSA-N 1 1 368.397 3.239 20 5 FGBDMO CCC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CCN1CCCCC1 ZINC000513116482 502855692 /nfs/dbraw/zinc/85/56/92/502855692.db2.gz GEJZDBPMENXQID-UHFFFAOYSA-N 1 1 362.474 3.121 20 5 FGBDMO CCCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])CC[NH+]1CCCCC1 ZINC000513116482 502855696 /nfs/dbraw/zinc/85/56/96/502855696.db2.gz GEJZDBPMENXQID-UHFFFAOYSA-N 1 1 362.474 3.121 20 5 FGBDMO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000513216856 502880287 /nfs/dbraw/zinc/88/02/87/502880287.db2.gz HPYKQKWWARHENQ-KRWDZBQOSA-N 1 1 357.385 3.128 20 5 FGBDMO CC(C)[C@H]1OCCC[C@@H]1Nc1nc(NCc2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000509641949 502954973 /nfs/dbraw/zinc/95/49/73/502954973.db2.gz VVSMHRJAAZBAKS-FUHWJXTLSA-N 1 1 371.441 3.034 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000489446614 502960791 /nfs/dbraw/zinc/96/07/91/502960791.db2.gz ISIOOCQJEDPGCR-HOCLYGCPSA-N 1 1 374.485 3.480 20 5 FGBDMO COc1ccc(CCC[N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000497457706 502963977 /nfs/dbraw/zinc/96/39/77/502963977.db2.gz PQZLRIQINCXVLU-UHFFFAOYSA-N 1 1 357.410 3.107 20 5 FGBDMO Cc1c[nH+]cn1C1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000505683700 502965828 /nfs/dbraw/zinc/96/58/28/502965828.db2.gz YRDQTYPNKMGEBP-UHFFFAOYSA-N 1 1 356.426 3.241 20 5 FGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000490040285 503097663 /nfs/dbraw/zinc/09/76/63/503097663.db2.gz DPCBDZKYPZAWDH-MAUKXSAKSA-N 1 1 368.437 3.498 20 5 FGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000490040285 503097667 /nfs/dbraw/zinc/09/76/67/503097667.db2.gz DPCBDZKYPZAWDH-MAUKXSAKSA-N 1 1 368.437 3.498 20 5 FGBDMO Cc1ccc2nc(C[N@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)cc(=O)n2c1 ZINC000490050984 503100183 /nfs/dbraw/zinc/10/01/83/503100183.db2.gz BALYXLQEZWDKFT-UHFFFAOYSA-N 1 1 364.405 3.076 20 5 FGBDMO Cc1ccc2nc(C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)cc(=O)n2c1 ZINC000490050984 503100184 /nfs/dbraw/zinc/10/01/84/503100184.db2.gz BALYXLQEZWDKFT-UHFFFAOYSA-N 1 1 364.405 3.076 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000510438413 503115233 /nfs/dbraw/zinc/11/52/33/503115233.db2.gz QSNKSEINGZKNGU-QGZVFWFLSA-N 1 1 352.394 3.400 20 5 FGBDMO Cc1ccccc1[C@@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000507216777 503252829 /nfs/dbraw/zinc/25/28/29/503252829.db2.gz ZHZSMIACMDAJKO-QGZVFWFLSA-N 1 1 365.433 3.282 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000507299778 503273179 /nfs/dbraw/zinc/27/31/79/503273179.db2.gz CPCFBVUCIYRZPG-CHWSQXEVSA-N 1 1 363.483 3.452 20 5 FGBDMO CC[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1C)[N@H+]1CCc2ccccc2C1 ZINC000511263622 503289169 /nfs/dbraw/zinc/28/91/69/503289169.db2.gz BAIXOJQXKPDGNS-GOSISDBHSA-N 1 1 367.449 3.470 20 5 FGBDMO COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000515313564 503312058 /nfs/dbraw/zinc/31/20/58/503312058.db2.gz OZKIOOYVMBXMAI-HNNXBMFYSA-N 1 1 371.437 3.413 20 5 FGBDMO COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000515313564 503312062 /nfs/dbraw/zinc/31/20/62/503312062.db2.gz OZKIOOYVMBXMAI-HNNXBMFYSA-N 1 1 371.437 3.413 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000499091786 503331816 /nfs/dbraw/zinc/33/18/16/503331816.db2.gz CNCABHFECQWQTO-UHFFFAOYSA-N 1 1 366.377 3.144 20 5 FGBDMO CCC[N@H+]1CCC[C@H]1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000515407844 503332057 /nfs/dbraw/zinc/33/20/57/503332057.db2.gz MGZUIIFNUFTIJK-ZDUSSCGKSA-N 1 1 356.220 3.170 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+](C)[C@@H]2CCC[C@H]2O)cc1OC ZINC000511553454 503343138 /nfs/dbraw/zinc/34/31/38/503343138.db2.gz JTSZLUHQKUTJHA-YSVLISHTSA-N 1 1 366.458 3.374 20 5 FGBDMO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C1CCN(c2cccnn2)CC1 ZINC000492212308 503358892 /nfs/dbraw/zinc/35/88/92/503358892.db2.gz XVKPYZDHSNASMP-UHFFFAOYSA-N 1 1 361.833 3.139 20 5 FGBDMO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C1CCN(c2cccnn2)CC1 ZINC000492212308 503358897 /nfs/dbraw/zinc/35/88/97/503358897.db2.gz XVKPYZDHSNASMP-UHFFFAOYSA-N 1 1 361.833 3.139 20 5 FGBDMO Cc1nc(CC[NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)n[nH]1 ZINC000503581224 503440859 /nfs/dbraw/zinc/44/08/59/503440859.db2.gz KRJSGZIVKPFCHZ-UHFFFAOYSA-N 1 1 366.425 3.122 20 5 FGBDMO Cc1nnc(CC[NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)[nH]1 ZINC000503581224 503440861 /nfs/dbraw/zinc/44/08/61/503440861.db2.gz KRJSGZIVKPFCHZ-UHFFFAOYSA-N 1 1 366.425 3.122 20 5 FGBDMO C[N@@H+](Cc1cccc2[nH]ccc21)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000494028079 503477190 /nfs/dbraw/zinc/47/71/90/503477190.db2.gz PGXHLQXPNIMBCP-IBGZPJMESA-N 1 1 364.405 3.313 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)Cc1cccc2[nH]ccc21 ZINC000494078023 503484041 /nfs/dbraw/zinc/48/40/41/503484041.db2.gz JGINFQKYGDUDBS-UHFFFAOYSA-N 1 1 352.394 3.455 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)Cc1cccc2[nH]ccc21 ZINC000494078023 503484044 /nfs/dbraw/zinc/48/40/44/503484044.db2.gz JGINFQKYGDUDBS-UHFFFAOYSA-N 1 1 352.394 3.455 20 5 FGBDMO CC[N@@H+](CCNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1)CCC(F)(F)F ZINC000494624299 503577678 /nfs/dbraw/zinc/57/76/78/503577678.db2.gz YYLQLSAWVLPTRR-UHFFFAOYSA-N 1 1 362.352 3.299 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000543206950 503679775 /nfs/dbraw/zinc/67/97/75/503679775.db2.gz GQYVUTBFYYVOER-RTBURBONSA-N 1 1 370.449 3.289 20 5 FGBDMO C[N@H+](CCC(=O)OC(C)(C)C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000536697403 503686973 /nfs/dbraw/zinc/68/69/73/503686973.db2.gz JHMCCIKQEOJLIW-UHFFFAOYSA-N 1 1 360.357 3.360 20 5 FGBDMO C[N@@H+](CCC(=O)OC(C)(C)C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000536697403 503686976 /nfs/dbraw/zinc/68/69/76/503686976.db2.gz JHMCCIKQEOJLIW-UHFFFAOYSA-N 1 1 360.357 3.360 20 5 FGBDMO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ccncc1OC[C@@H]1CCOC1 ZINC000517246400 503692429 /nfs/dbraw/zinc/69/24/29/503692429.db2.gz UWAXOYLDSSRACB-RDTXWAMCSA-N 1 1 369.421 3.182 20 5 FGBDMO Cc1c(Br)c(N[C@@H](C)C2=CC[N@@H+](C)CC2)ncc1[N+](=O)[O-] ZINC000543437340 503769885 /nfs/dbraw/zinc/76/98/85/503769885.db2.gz TVXOKABRNORCBK-JTQLQIEISA-N 1 1 355.236 3.123 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000537154270 503820149 /nfs/dbraw/zinc/82/01/49/503820149.db2.gz COPABHQRUCMLNP-ZDUSSCGKSA-N 1 1 351.472 3.262 20 5 FGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000533511850 503871612 /nfs/dbraw/zinc/87/16/12/503871612.db2.gz MKWBEUWJIARHRM-YYAJDYIMSA-N 1 1 374.485 3.259 20 5 FGBDMO CNc1ccc(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000543751535 503879231 /nfs/dbraw/zinc/87/92/31/503879231.db2.gz QNMWHAOSPHLPDV-ZFWWWQNUSA-N 1 1 360.458 3.019 20 5 FGBDMO Cc1cc(N(C)[C@@H]2CC[N@H+](C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000533783699 503950283 /nfs/dbraw/zinc/95/02/83/503950283.db2.gz XJGIOEBHVQJQOD-QGZVFWFLSA-N 1 1 353.426 3.033 20 5 FGBDMO CCC[N@H+](Cc1ccc(F)cc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000544061090 503991358 /nfs/dbraw/zinc/99/13/58/503991358.db2.gz FLFNYSAGBADMGM-QGZVFWFLSA-N 1 1 362.401 3.386 20 5 FGBDMO COc1ccc(-c2ccc(C[N@@H+](C)C[C@@H]3CCC[C@H]3O)o2)c([N+](=O)[O-])c1 ZINC000537708856 504012627 /nfs/dbraw/zinc/01/26/27/504012627.db2.gz AWBXXASLYFUDBF-SCLBCKFNSA-N 1 1 360.410 3.456 20 5 FGBDMO COc1ccccc1[C@@H](C)N(C)C(=O)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000538278073 504186001 /nfs/dbraw/zinc/18/60/01/504186001.db2.gz JUZXRLRATOOSNX-LSDHHAIUSA-N 1 1 371.437 3.474 20 5 FGBDMO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000547799462 504229550 /nfs/dbraw/zinc/22/95/50/504229550.db2.gz KWUPPNKFPZEUGF-CYBMUJFWSA-N 1 1 351.472 3.263 20 5 FGBDMO C[C@@H]1C[N@H+](Cc2cccc(CNc3ccc([N+](=O)[O-])c(N)c3F)c2)CCO1 ZINC000519491318 504232894 /nfs/dbraw/zinc/23/28/94/504232894.db2.gz NHLCMNKCQBIXIJ-CYBMUJFWSA-N 1 1 374.416 3.149 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2cccc(CNc3ccc([N+](=O)[O-])c(N)c3F)c2)CCO1 ZINC000519491318 504232898 /nfs/dbraw/zinc/23/28/98/504232898.db2.gz NHLCMNKCQBIXIJ-CYBMUJFWSA-N 1 1 374.416 3.149 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000541733270 504236696 /nfs/dbraw/zinc/23/66/96/504236696.db2.gz HERUDRKMWYHDHM-RDBSUJKOSA-N 1 1 351.422 3.169 20 5 FGBDMO CC1(C)Cc2cc(C[NH+]3CCN(c4ccc([N+](=O)[O-])nc4)CC3)ccc2O1 ZINC000535072374 504335651 /nfs/dbraw/zinc/33/56/51/504335651.db2.gz VNKHMDKDLLKWBM-UHFFFAOYSA-N 1 1 368.437 3.026 20 5 FGBDMO COc1ccc(C[NH+]2CCC(Oc3cc(C)ccn3)CC2)cc1[N+](=O)[O-] ZINC000542051620 504350300 /nfs/dbraw/zinc/35/03/00/504350300.db2.gz AATGQVUMQVEPGG-UHFFFAOYSA-N 1 1 357.410 3.350 20 5 FGBDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000535274295 504388967 /nfs/dbraw/zinc/38/89/67/504388967.db2.gz ATXCUZHXSNTJNT-GOSISDBHSA-N 1 1 353.422 3.175 20 5 FGBDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000535274295 504388973 /nfs/dbraw/zinc/38/89/73/504388973.db2.gz ATXCUZHXSNTJNT-GOSISDBHSA-N 1 1 353.422 3.175 20 5 FGBDMO COc1cc(N2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)c([N+](=O)[O-])cc1F ZINC000548334370 504403359 /nfs/dbraw/zinc/40/33/59/504403359.db2.gz ZMWPMSXSJOLQGH-GFCCVEGCSA-N 1 1 360.389 3.269 20 5 FGBDMO Cc1ccc([C@@H]2CCC[N@H+]2C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000542210779 504408078 /nfs/dbraw/zinc/40/80/78/504408078.db2.gz YUNOSCBRYUBYCB-ROUUACIJSA-N 1 1 356.422 3.480 20 5 FGBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000520450115 504502238 /nfs/dbraw/zinc/50/22/38/504502238.db2.gz BJOGFHCSBVLBCN-UHFFFAOYSA-N 1 1 371.485 3.265 20 5 FGBDMO COc1cc(N2CC[C@H](n3c[nH+]c4c3CCCC4)C2)c(F)cc1[N+](=O)[O-] ZINC000548662512 504514615 /nfs/dbraw/zinc/51/46/15/504514615.db2.gz GOPONVFEAPXDRA-LBPRGKRZSA-N 1 1 360.389 3.269 20 5 FGBDMO Cc1c(Br)c(N[C@H]2CC[N@H+](C3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000542507640 504517686 /nfs/dbraw/zinc/51/76/86/504517686.db2.gz SEKIQPIPCJWIEC-NSHDSACASA-N 1 1 369.263 3.490 20 5 FGBDMO Cc1c(Br)c(NC[C@H]2CCC[N@H+](C(C)C)C2)ncc1[N+](=O)[O-] ZINC000542508072 504519170 /nfs/dbraw/zinc/51/91/70/504519170.db2.gz AJEIVOIMIDSFRS-GFCCVEGCSA-N 1 1 371.279 3.015 20 5 FGBDMO C[C@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[N@H+]1CCCC[C@@H]1C ZINC000542539574 504532823 /nfs/dbraw/zinc/53/28/23/504532823.db2.gz UROOXGCJNIWKJH-MJBXVCDLSA-N 1 1 351.422 3.217 20 5 FGBDMO O=C([C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000520605923 504539305 /nfs/dbraw/zinc/53/93/05/504539305.db2.gz GXWWDYNKZGXRBV-GOSISDBHSA-N 1 1 365.433 3.002 20 5 FGBDMO Cc1cc(N2CC[NH+](Cc3ccco3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000539552614 504605076 /nfs/dbraw/zinc/60/50/76/504605076.db2.gz QAUMSRHNHKOPQM-UHFFFAOYSA-N 1 1 352.394 3.367 20 5 FGBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000548934897 504626398 /nfs/dbraw/zinc/62/63/98/504626398.db2.gz WFALIIJJAVPQPB-PKOBYXMFSA-N 1 1 359.470 3.250 20 5 FGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000548934897 504626399 /nfs/dbraw/zinc/62/63/99/504626399.db2.gz WFALIIJJAVPQPB-PKOBYXMFSA-N 1 1 359.470 3.250 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2C[C@@H](CC)[C@H](O)C2)cc1OC ZINC000542915832 504656573 /nfs/dbraw/zinc/65/65/73/504656573.db2.gz UCVGLWNABCNIOQ-JJRVBVJISA-N 1 1 366.458 3.231 20 5 FGBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CCC(CO)CC2)cc1OC ZINC000542918149 504657760 /nfs/dbraw/zinc/65/77/60/504657760.db2.gz VELDRDKXOCIRGF-CQSZACIVSA-N 1 1 366.458 3.233 20 5 FGBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000549157122 504706125 /nfs/dbraw/zinc/70/61/25/504706125.db2.gz VQRCXCUJJJLJIU-SFHVURJKSA-N 1 1 357.385 3.014 20 5 FGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000549157122 504706131 /nfs/dbraw/zinc/70/61/31/504706131.db2.gz VQRCXCUJJJLJIU-SFHVURJKSA-N 1 1 357.385 3.014 20 5 FGBDMO C[C@@H]1c2ccccc2C[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000543060938 504709066 /nfs/dbraw/zinc/70/90/66/504709066.db2.gz DOBGTDYYBUDONK-CYBMUJFWSA-N 1 1 353.378 3.470 20 5 FGBDMO C[C@@H]1c2ccccc2C[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000543060938 504709070 /nfs/dbraw/zinc/70/90/70/504709070.db2.gz DOBGTDYYBUDONK-CYBMUJFWSA-N 1 1 353.378 3.470 20 5 FGBDMO Cc1cccc(C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)Cc2ccco2)c1 ZINC000536425250 504729749 /nfs/dbraw/zinc/72/97/49/504729749.db2.gz AQFPCKUHRJDUND-UHFFFAOYSA-N 1 1 367.405 3.360 20 5 FGBDMO Cc1cccc(C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)Cc2ccco2)c1 ZINC000536425250 504729750 /nfs/dbraw/zinc/72/97/50/504729750.db2.gz AQFPCKUHRJDUND-UHFFFAOYSA-N 1 1 367.405 3.360 20 5 FGBDMO COc1cc2c(c(OC)c1OC)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC000532878261 504770688 /nfs/dbraw/zinc/77/06/88/504770688.db2.gz DZLYYOVJZVCPDH-UHFFFAOYSA-N 1 1 372.421 3.221 20 5 FGBDMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000562496326 504837402 /nfs/dbraw/zinc/83/74/02/504837402.db2.gz IMFLWQKDHNEFIO-GOSISDBHSA-N 1 1 368.405 3.154 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000553153295 504839087 /nfs/dbraw/zinc/83/90/87/504839087.db2.gz MEDKQQOHVMREPT-YOEHRIQHSA-N 1 1 368.437 3.016 20 5 FGBDMO Cc1ccccc1C[C@@H](C)[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000562585098 504868768 /nfs/dbraw/zinc/86/87/68/504868768.db2.gz PKBHWOOWJBLFQM-MRXNPFEDSA-N 1 1 367.449 3.355 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000553787094 505011308 /nfs/dbraw/zinc/01/13/08/505011308.db2.gz TUSWPBSHJZSKEY-SFHVURJKSA-N 1 1 363.483 3.263 20 5 FGBDMO CC(=O)c1cc(N2CC[NH+](Cc3cccc(C)c3)CC2)ccc1[N+](=O)[O-] ZINC000550746229 505094130 /nfs/dbraw/zinc/09/41/30/505094130.db2.gz NAFKEDRJFZGFTB-UHFFFAOYSA-N 1 1 353.422 3.428 20 5 FGBDMO COCC(C)(C)CCC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000554372850 505157852 /nfs/dbraw/zinc/15/78/52/505157852.db2.gz ANRBZOGTIUEMDR-QGZVFWFLSA-N 1 1 360.458 3.460 20 5 FGBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCc1c[nH+]c2n1CCCC2 ZINC000557687107 505203222 /nfs/dbraw/zinc/20/32/22/505203222.db2.gz KHURJXDHSZZRHU-UHFFFAOYSA-N 1 1 364.789 3.180 20 5 FGBDMO O=[N+]([O-])c1ccc(NCc2c[nH+]c3n2CCCC3)nc1-c1ccc(F)cc1 ZINC000557689500 505204451 /nfs/dbraw/zinc/20/44/51/505204451.db2.gz OTWKUWXBIGRNGF-UHFFFAOYSA-N 1 1 367.384 3.363 20 5 FGBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000563787451 505238043 /nfs/dbraw/zinc/23/80/43/505238043.db2.gz HLQSGWZCRSOQRH-LLVKDONJSA-N 1 1 360.336 3.172 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](c3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000567046335 505347634 /nfs/dbraw/zinc/34/76/34/505347634.db2.gz ZDAYFLRSVLDEME-HOCLYGCPSA-N 1 1 354.410 3.115 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H](c3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000567046335 505347636 /nfs/dbraw/zinc/34/76/36/505347636.db2.gz ZDAYFLRSVLDEME-HOCLYGCPSA-N 1 1 354.410 3.115 20 5 FGBDMO C[NH+](C)[C@@H](CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)c1ccco1 ZINC000564302082 505377184 /nfs/dbraw/zinc/37/71/84/505377184.db2.gz KVMIEBPUZAXVCR-LBPRGKRZSA-N 1 1 371.315 3.239 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]C[C@H](CO)CC1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000552055854 505383573 /nfs/dbraw/zinc/38/35/73/505383573.db2.gz FMISBZFYYBWOQF-VQIMIIECSA-N 1 1 372.469 3.196 20 5 FGBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@@H](O)Cc1ccccc1 ZINC000552071780 505390795 /nfs/dbraw/zinc/39/07/95/505390795.db2.gz BYSXWOFVZJIVGW-INIZCTEOSA-N 1 1 366.364 3.232 20 5 FGBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000567196060 505391982 /nfs/dbraw/zinc/39/19/82/505391982.db2.gz HJKZEPVVBTWIMU-AEFFLSMTSA-N 1 1 374.485 3.214 20 5 FGBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)C1 ZINC000561763288 505431528 /nfs/dbraw/zinc/43/15/28/505431528.db2.gz ZAGDLWWFPSQUQK-OZVIIMIRSA-N 1 1 351.834 3.051 20 5 FGBDMO C[C@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@H]1C ZINC000552225746 505433740 /nfs/dbraw/zinc/43/37/40/505433740.db2.gz LRKNJVVZVKNKSW-GPMSIDNRSA-N 1 1 371.485 3.270 20 5 FGBDMO Cc1nc(C)c(CC[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000552249678 505440846 /nfs/dbraw/zinc/44/08/46/505440846.db2.gz HNLSSJVHFUCHMA-QGZVFWFLSA-N 1 1 371.466 3.323 20 5 FGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000558740217 505479288 /nfs/dbraw/zinc/47/92/88/505479288.db2.gz CDQLKPKLLAYCCD-LJQANCHMSA-N 1 1 371.412 3.404 20 5 FGBDMO CCOc1ccc(NC(=O)CC[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000558740657 505480491 /nfs/dbraw/zinc/48/04/91/505480491.db2.gz CYHRYVRIVOMEJD-UHFFFAOYSA-N 1 1 371.437 3.497 20 5 FGBDMO C[C@@H]1C[C@H](N(C)C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)CC[N@H+]1C ZINC000567547203 505494390 /nfs/dbraw/zinc/49/43/90/505494390.db2.gz KEYIDFYZKAZGBO-GHMZBOCLSA-N 1 1 359.348 3.168 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)c(F)c1 ZINC000558860578 505513583 /nfs/dbraw/zinc/51/35/83/505513583.db2.gz WKRJSSWVKRGPAK-UHFFFAOYSA-N 1 1 367.384 3.479 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)c(F)c1 ZINC000558860578 505513586 /nfs/dbraw/zinc/51/35/86/505513586.db2.gz WKRJSSWVKRGPAK-UHFFFAOYSA-N 1 1 367.384 3.479 20 5 FGBDMO C[C@H](CO)C1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000593085945 506384758 /nfs/dbraw/zinc/38/47/58/506384758.db2.gz ZVUKWQCHJHSGGI-LLVKDONJSA-N 1 1 357.248 3.198 20 5 FGBDMO CCCCC[C@@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000582807502 506430342 /nfs/dbraw/zinc/43/03/42/506430342.db2.gz GWAKHTSPDCRKLD-OAHLLOKOSA-N 1 1 354.472 3.413 20 5 FGBDMO CCCCC[C@@H]1CCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000582807502 506430350 /nfs/dbraw/zinc/43/03/50/506430350.db2.gz GWAKHTSPDCRKLD-OAHLLOKOSA-N 1 1 354.472 3.413 20 5 FGBDMO CCC[N@@H+](CCc1ccccn1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589195840 506480244 /nfs/dbraw/zinc/48/02/44/506480244.db2.gz PDFZCCJGFOWITA-UHFFFAOYSA-N 1 1 357.410 3.216 20 5 FGBDMO NC(=O)C[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000589209343 506484968 /nfs/dbraw/zinc/48/49/68/506484968.db2.gz GMNPUUSACYYQAS-AWEZNQCLSA-N 1 1 373.384 3.224 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599585478 506512256 /nfs/dbraw/zinc/51/22/56/506512256.db2.gz ZLMRTYDYKIDONQ-XJKSGUPXSA-N 1 1 364.442 3.403 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599585478 506512261 /nfs/dbraw/zinc/51/22/61/506512261.db2.gz ZLMRTYDYKIDONQ-XJKSGUPXSA-N 1 1 364.442 3.403 20 5 FGBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000596658073 506515135 /nfs/dbraw/zinc/51/51/35/506515135.db2.gz PLGZLHQYHNANDK-QGZVFWFLSA-N 1 1 362.474 3.388 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+][C@@H]1CNc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000593321491 506538613 /nfs/dbraw/zinc/53/86/13/506538613.db2.gz XTHDKDHVGNVBDR-QFBILLFUSA-N 1 1 363.421 3.044 20 5 FGBDMO CC1(C)[C@@H](c2cccc(F)c2)CC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000599631147 506540020 /nfs/dbraw/zinc/54/00/20/506540020.db2.gz WTPFMESUUURWNX-QGZVFWFLSA-N 1 1 359.401 3.164 20 5 FGBDMO COc1ccc([C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C2CC2)cn1 ZINC000599702447 506590531 /nfs/dbraw/zinc/59/05/31/506590531.db2.gz IRNWUCPQAWYRBQ-SFHVURJKSA-N 1 1 353.382 3.116 20 5 FGBDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000603667742 506591163 /nfs/dbraw/zinc/59/11/63/506591163.db2.gz BDVQKCIHPVQVBQ-HNNXBMFYSA-N 1 1 370.453 3.238 20 5 FGBDMO O=C(CC[N@H+]1CCO[C@@H](C2CCCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000612543726 506617765 /nfs/dbraw/zinc/61/77/65/506617765.db2.gz RPCFCQBFPOPAMW-GOSISDBHSA-N 1 1 361.442 3.205 20 5 FGBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])c4ccncc34)CC[C@H]21 ZINC000599829189 506662539 /nfs/dbraw/zinc/66/25/39/506662539.db2.gz AUEDLIFCWTVVQT-CXAGYDPISA-N 1 1 369.425 3.091 20 5 FGBDMO O=[N+]([O-])c1ccc(OCCCN2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000604012612 506685857 /nfs/dbraw/zinc/68/58/57/506685857.db2.gz WHRWGSVQIZYRMM-UHFFFAOYSA-N 1 1 361.467 3.243 20 5 FGBDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000590036361 506710578 /nfs/dbraw/zinc/71/05/78/506710578.db2.gz QTSJRGJWIUIWKD-QGZVFWFLSA-N 1 1 353.422 3.175 20 5 FGBDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000590036361 506710582 /nfs/dbraw/zinc/71/05/82/506710582.db2.gz QTSJRGJWIUIWKD-QGZVFWFLSA-N 1 1 353.422 3.175 20 5 FGBDMO C[C@H](NC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000604130505 506724532 /nfs/dbraw/zinc/72/45/32/506724532.db2.gz NEPSHRBECDFQHP-CVEARBPZSA-N 1 1 362.474 3.467 20 5 FGBDMO C[N@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000604197932 506746152 /nfs/dbraw/zinc/74/61/52/506746152.db2.gz BVMGUVJQUWNDJP-AWEZNQCLSA-N 1 1 355.394 3.211 20 5 FGBDMO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000593772472 506770086 /nfs/dbraw/zinc/77/00/86/506770086.db2.gz QIQUZWXVSHAJMK-RRFJBIMHSA-N 1 1 356.426 3.046 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C[C@@H]1C ZINC000597101656 506775724 /nfs/dbraw/zinc/77/57/24/506775724.db2.gz KUBDSVQEEAHDGT-JQWIXIFHSA-N 1 1 369.853 3.167 20 5 FGBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000590344472 506800435 /nfs/dbraw/zinc/80/04/35/506800435.db2.gz SYGWQUFBNHIRJY-AWEZNQCLSA-N 1 1 374.466 3.275 20 5 FGBDMO CSc1ccc(C(=O)N2CCC[N@@H+](CC3CCC3)CC2)cc1[N+](=O)[O-] ZINC000590347943 506800834 /nfs/dbraw/zinc/80/08/34/506800834.db2.gz PZOZKHHEEHCIBV-UHFFFAOYSA-N 1 1 363.483 3.265 20 5 FGBDMO CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000597209838 506837941 /nfs/dbraw/zinc/83/79/41/506837941.db2.gz DDPOBEWSFQDPPH-OXJNMPFZSA-N 1 1 353.422 3.319 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@H](c3ccc(O)cc3)C1)OCCO2 ZINC000600213430 506850728 /nfs/dbraw/zinc/85/07/28/506850728.db2.gz FICHLDLVEXKSFP-AWEZNQCLSA-N 1 1 356.378 3.061 20 5 FGBDMO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(OCC(F)(F)F)nn2)cc1[N+](=O)[O-] ZINC000593970850 506858799 /nfs/dbraw/zinc/85/87/99/506858799.db2.gz PCEAITHGSIZHMR-LLVKDONJSA-N 1 1 370.331 3.485 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594026236 506892212 /nfs/dbraw/zinc/89/22/12/506892212.db2.gz HCOINJOPNXTRQD-KRWDZBQOSA-N 1 1 361.442 3.265 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000609513117 506905227 /nfs/dbraw/zinc/90/52/27/506905227.db2.gz YHZUSNKMAGJWLP-ZDUSSCGKSA-N 1 1 367.812 3.197 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000609513117 506905228 /nfs/dbraw/zinc/90/52/28/506905228.db2.gz YHZUSNKMAGJWLP-ZDUSSCGKSA-N 1 1 367.812 3.197 20 5 FGBDMO C[C@H](c1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1)[NH+]1CCOCC1 ZINC000609518851 506907030 /nfs/dbraw/zinc/90/70/30/506907030.db2.gz RJKJGIVDXFACEK-CYBMUJFWSA-N 1 1 373.384 3.379 20 5 FGBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594056475 506911240 /nfs/dbraw/zinc/91/12/40/506911240.db2.gz DEDRUWKNRAWMAY-LSDHHAIUSA-N 1 1 352.822 3.387 20 5 FGBDMO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C[C@H]1C ZINC000613182054 506956826 /nfs/dbraw/zinc/95/68/26/506956826.db2.gz IHWWNRLXNOHAOU-OAHLLOKOSA-N 1 1 356.426 3.099 20 5 FGBDMO Cc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)o1 ZINC000609706090 506977938 /nfs/dbraw/zinc/97/79/38/506977938.db2.gz USMOFOQSTSPUMT-INIZCTEOSA-N 1 1 355.394 3.222 20 5 FGBDMO Cc1ccc([C@@H]2CCC[N@H+]2CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)o1 ZINC000609706090 506977944 /nfs/dbraw/zinc/97/79/44/506977944.db2.gz USMOFOQSTSPUMT-INIZCTEOSA-N 1 1 355.394 3.222 20 5 FGBDMO C[C@@H](c1cn(-c2ccccc2)nn1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000583824690 506994893 /nfs/dbraw/zinc/99/48/93/506994893.db2.gz GDNLPWTZVQIVLE-HNNXBMFYSA-N 1 1 351.410 3.411 20 5 FGBDMO C[C@@H](c1cn(-c2ccccc2)nn1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000583824690 506994898 /nfs/dbraw/zinc/99/48/98/506994898.db2.gz GDNLPWTZVQIVLE-HNNXBMFYSA-N 1 1 351.410 3.411 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000609874337 507034074 /nfs/dbraw/zinc/03/40/74/507034074.db2.gz RSTUUDFIUAFYMI-BETUJISGSA-N 1 1 353.850 3.346 20 5 FGBDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000583898792 507037952 /nfs/dbraw/zinc/03/79/52/507037952.db2.gz LZULQLDDYCXUMY-HZPDHXFCSA-N 1 1 371.437 3.150 20 5 FGBDMO C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cn2C)CC[N@H+]1Cc1ccccc1 ZINC000609977959 507060124 /nfs/dbraw/zinc/06/01/24/507060124.db2.gz KLBWJUDDVZDNDF-DOTOQJQBSA-N 1 1 370.453 3.058 20 5 FGBDMO CC[N@@H+]1CCc2nc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000610035713 507078359 /nfs/dbraw/zinc/07/83/59/507078359.db2.gz JBHHHUDYKNIADS-UHFFFAOYSA-N 1 1 374.466 3.346 20 5 FGBDMO CC[N@H+]1CCc2nc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000610035713 507078365 /nfs/dbraw/zinc/07/83/65/507078365.db2.gz JBHHHUDYKNIADS-UHFFFAOYSA-N 1 1 374.466 3.346 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597855597 507136090 /nfs/dbraw/zinc/13/60/90/507136090.db2.gz TZSASULUBGAWEO-KBPBESRZSA-N 1 1 365.499 3.312 20 5 FGBDMO Cc1cc(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000610297109 507182408 /nfs/dbraw/zinc/18/24/08/507182408.db2.gz LLSHIMGTUUDFMN-SFHVURJKSA-N 1 1 353.422 3.250 20 5 FGBDMO Cc1c(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000610298441 507183967 /nfs/dbraw/zinc/18/39/67/507183967.db2.gz WDRPSIACQNBOGU-KRWDZBQOSA-N 1 1 353.422 3.250 20 5 FGBDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601163537 507283992 /nfs/dbraw/zinc/28/39/92/507283992.db2.gz JIZSWCDTPYORTE-UHFFFAOYSA-N 1 1 351.422 3.318 20 5 FGBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000598218032 507321548 /nfs/dbraw/zinc/32/15/48/507321548.db2.gz CRPGWRZABRZHIC-CQSZACIVSA-N 1 1 361.442 3.130 20 5 FGBDMO C[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000598218563 507322628 /nfs/dbraw/zinc/32/26/28/507322628.db2.gz IDEFHNNPVFJLAC-ZIAGYGMSSA-N 1 1 363.433 3.361 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000595006381 507349919 /nfs/dbraw/zinc/34/99/19/507349919.db2.gz IUVSZXBSACUBDO-UONOGXRCSA-N 1 1 355.394 3.060 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)C1=O ZINC000595013072 507353542 /nfs/dbraw/zinc/35/35/42/507353542.db2.gz GUDIPORSOCUVAS-RDTXWAMCSA-N 1 1 369.421 3.055 20 5 FGBDMO C[C@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000595048652 507368446 /nfs/dbraw/zinc/36/84/46/507368446.db2.gz KTPFPSOETVHVIK-RDTXWAMCSA-N 1 1 351.410 3.206 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCOCC3(CCCC3)C2)cccc1[N+](=O)[O-] ZINC000614222990 507412808 /nfs/dbraw/zinc/41/28/08/507412808.db2.gz YTSIFLMVPRDKEZ-HNNXBMFYSA-N 1 1 361.442 3.123 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCOCC3(CCCC3)C2)cccc1[N+](=O)[O-] ZINC000614222990 507412810 /nfs/dbraw/zinc/41/28/10/507412810.db2.gz YTSIFLMVPRDKEZ-HNNXBMFYSA-N 1 1 361.442 3.123 20 5 FGBDMO CC[C@@](C)(COc1ncccc1Cl)[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595386192 507477508 /nfs/dbraw/zinc/47/75/08/507477508.db2.gz BDFDQNWYOXLGQA-HNNXBMFYSA-N 1 1 354.794 3.277 20 5 FGBDMO CC(C)(C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000598558858 507486155 /nfs/dbraw/zinc/48/61/55/507486155.db2.gz FMXAKIKVWMPUGX-INIZCTEOSA-N 1 1 359.470 3.111 20 5 FGBDMO Cc1noc(C[N@@H+](C)CCc2cccc(Br)c2)c1[N+](=O)[O-] ZINC000595495168 507530093 /nfs/dbraw/zinc/53/00/93/507530093.db2.gz RIPWGPLKOSAKLN-UHFFFAOYSA-N 1 1 354.204 3.328 20 5 FGBDMO Cc1noc(C[N@H+](C)CCc2cccc(Br)c2)c1[N+](=O)[O-] ZINC000595495168 507530091 /nfs/dbraw/zinc/53/00/91/507530091.db2.gz RIPWGPLKOSAKLN-UHFFFAOYSA-N 1 1 354.204 3.328 20 5 FGBDMO C[N@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 ZINC000611201639 507559581 /nfs/dbraw/zinc/55/95/81/507559581.db2.gz KYZGEZOLOFIBGN-INIZCTEOSA-N 1 1 368.437 3.031 20 5 FGBDMO Cn1cc(C[N@@H+]2CCOc3ccccc3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611262807 507589333 /nfs/dbraw/zinc/58/93/33/507589333.db2.gz CLDVSVDNYHOWNL-UHFFFAOYSA-N 1 1 364.405 3.390 20 5 FGBDMO Cn1cc(C[N@H+]2CCOc3ccccc3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611262807 507589343 /nfs/dbraw/zinc/58/93/43/507589343.db2.gz CLDVSVDNYHOWNL-UHFFFAOYSA-N 1 1 364.405 3.390 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cn(C)nc1-c1ccc(C)o1 ZINC000592363144 507619238 /nfs/dbraw/zinc/61/92/38/507619238.db2.gz DBMXBAJPKUVYEA-UHFFFAOYSA-N 1 1 356.382 3.195 20 5 FGBDMO COc1cc(C[N@H+]2CCCC[C@H]2[C@@H](C)CO)c([N+](=O)[O-])cc1OC(F)F ZINC000595671105 507620445 /nfs/dbraw/zinc/62/04/45/507620445.db2.gz NENBJRROISFISL-AAEUAGOBSA-N 1 1 374.384 3.188 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)[C@@H]2CCCC[C@H]12 ZINC000595730474 507651615 /nfs/dbraw/zinc/65/16/15/507651615.db2.gz JFQVYFDQHXFNGM-BZUAXINKSA-N 1 1 362.426 3.157 20 5 FGBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000595780733 507680894 /nfs/dbraw/zinc/68/08/94/507680894.db2.gz LXFCQKVQNPPQCD-KRWDZBQOSA-N 1 1 374.485 3.186 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC([C@H]4CCCCO4)CC3)o2)cc1 ZINC000595786278 507683945 /nfs/dbraw/zinc/68/39/45/507683945.db2.gz HJIMPAIWLBACOK-QGZVFWFLSA-N 1 1 372.425 3.426 20 5 FGBDMO Cn1cc(C[NH+]2CC(C)(CC(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000592522525 507693321 /nfs/dbraw/zinc/69/33/21/507693321.db2.gz DZGIFNYCOWTQQH-UHFFFAOYSA-N 1 1 350.369 3.472 20 5 FGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000602487187 507724103 /nfs/dbraw/zinc/72/41/03/507724103.db2.gz VXVLLXIWOSTSKL-JSGCOSHPSA-N 1 1 362.373 3.320 20 5 FGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000602487187 507724104 /nfs/dbraw/zinc/72/41/04/507724104.db2.gz VXVLLXIWOSTSKL-JSGCOSHPSA-N 1 1 362.373 3.320 20 5 FGBDMO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611557996 507737740 /nfs/dbraw/zinc/73/77/40/507737740.db2.gz QCGUMHSPEOVPFH-OAHLLOKOSA-N 1 1 369.421 3.037 20 5 FGBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611557996 507737743 /nfs/dbraw/zinc/73/77/43/507737743.db2.gz QCGUMHSPEOVPFH-OAHLLOKOSA-N 1 1 369.421 3.037 20 5 FGBDMO Cc1cc(C)c(-c2nn[nH]n2)c(NCCCCc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000737242628 598854329 /nfs/dbraw/zinc/85/43/29/598854329.db2.gz XSRSVMNQDBAHOJ-UHFFFAOYSA-N 1 1 367.413 3.222 20 5 FGBDMO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@H](O)c3ccccc3Cl)CC2)c1 ZINC000047742813 695867468 /nfs/dbraw/zinc/86/74/68/695867468.db2.gz ZFZWTQONXSATPO-SFHVURJKSA-N 1 1 361.829 3.104 20 5 FGBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000102637376 700476720 /nfs/dbraw/zinc/47/67/20/700476720.db2.gz CVKGIPZAPRVANM-LBPRGKRZSA-N 1 1 353.850 3.489 20 5 FGBDMO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000121944739 700683047 /nfs/dbraw/zinc/68/30/47/700683047.db2.gz JHBVXNVSYRATJU-UHFFFAOYSA-N 1 1 359.813 3.036 20 5 FGBDMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000121944739 700683049 /nfs/dbraw/zinc/68/30/49/700683049.db2.gz JHBVXNVSYRATJU-UHFFFAOYSA-N 1 1 359.813 3.036 20 5 FGBDMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000171668054 705392332 /nfs/dbraw/zinc/39/23/32/705392332.db2.gz OGAAFGXSVXYHGQ-LBPRGKRZSA-N 1 1 353.394 3.081 20 5 FGBDMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000171668054 705392338 /nfs/dbraw/zinc/39/23/38/705392338.db2.gz OGAAFGXSVXYHGQ-LBPRGKRZSA-N 1 1 353.394 3.081 20 5 FGBDMO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000173917086 705477054 /nfs/dbraw/zinc/47/70/54/705477054.db2.gz SYCBLAJTXBLHFN-AWEZNQCLSA-N 1 1 353.394 3.175 20 5 FGBDMO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000173917086 705477058 /nfs/dbraw/zinc/47/70/58/705477058.db2.gz SYCBLAJTXBLHFN-AWEZNQCLSA-N 1 1 353.394 3.175 20 5 FGBDMO C[N@H+]1CCCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])s3)cc2)CC1 ZINC000193524291 712894599 /nfs/dbraw/zinc/89/45/99/712894599.db2.gz AWKBOLCLTGVZLH-UHFFFAOYSA-N 1 1 360.439 3.051 20 5 FGBDMO Cc1ncc(C[N@@H+]2CC[C@H](Nc3ncc([N+](=O)[O-])s3)[C@@H](C)C2)s1 ZINC000374424218 713921599 /nfs/dbraw/zinc/92/15/99/713921599.db2.gz PLYDZNMFJUPUBK-CABZTGNLSA-N 1 1 353.473 3.139 20 5 FGBDMO Cc1ncc(C[N@H+]2CC[C@H](Nc3ncc([N+](=O)[O-])s3)[C@@H](C)C2)s1 ZINC000374424218 713921600 /nfs/dbraw/zinc/92/16/00/713921600.db2.gz PLYDZNMFJUPUBK-CABZTGNLSA-N 1 1 353.473 3.139 20 5 FGBDMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000380220508 713976384 /nfs/dbraw/zinc/97/63/84/713976384.db2.gz WFLWLGTVZAHSKK-OAHLLOKOSA-N 1 1 359.813 3.253 20 5 FGBDMO C[N@@H+](Cc1c(Br)cccc1[N+](=O)[O-])C[C@H]1CCCC[C@@H]1O ZINC000779154496 724396141 /nfs/dbraw/zinc/39/61/41/724396141.db2.gz UBVMKSHEFIHWGB-ABAIWWIYSA-N 1 1 357.248 3.340 20 5 FGBDMO C[N@H+](Cc1c(Br)cccc1[N+](=O)[O-])C[C@H]1CCCC[C@@H]1O ZINC000779154496 724396146 /nfs/dbraw/zinc/39/61/46/724396146.db2.gz UBVMKSHEFIHWGB-ABAIWWIYSA-N 1 1 357.248 3.340 20 5 FGBDMO CC[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@H](O)C(F)(F)F ZINC000779193453 724399206 /nfs/dbraw/zinc/39/92/06/724399206.db2.gz QWWNMVODQMROBY-NSHDSACASA-N 1 1 371.153 3.102 20 5 FGBDMO CC[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@H](O)C(F)(F)F ZINC000779193453 724399212 /nfs/dbraw/zinc/39/92/12/724399212.db2.gz QWWNMVODQMROBY-NSHDSACASA-N 1 1 371.153 3.102 20 5 FGBDMO CS[C@@H]1CCCC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000749466833 722729732 /nfs/dbraw/zinc/72/97/32/722729732.db2.gz XHVUPZAKPJCWDH-GFCCVEGCSA-N 1 1 357.863 3.404 20 5 FGBDMO CS[C@@H]1CCCC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000749466833 722729733 /nfs/dbraw/zinc/72/97/33/722729733.db2.gz XHVUPZAKPJCWDH-GFCCVEGCSA-N 1 1 357.863 3.404 20 5 FGBDMO O=C(OCc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000803505293 724453920 /nfs/dbraw/zinc/45/39/20/724453920.db2.gz YQRCGEDPZUHXOX-MRXNPFEDSA-N 1 1 354.353 3.323 20 5 FGBDMO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164626458 719055358 /nfs/dbraw/zinc/05/53/58/719055358.db2.gz RJKKXEHZPJVIQD-MJGOQNOKSA-N 1 1 352.438 3.399 20 5 FGBDMO COc1cnc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c([N+](=O)[O-])c1 ZINC001164624296 719074626 /nfs/dbraw/zinc/07/46/26/719074626.db2.gz KWEHETJXXQEOJO-VQIMIIECSA-N 1 1 368.437 3.099 20 5 FGBDMO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC3(C2)CC[N@@H+](CC2CC2)C3)c1 ZINC001164774032 721284881 /nfs/dbraw/zinc/28/48/81/721284881.db2.gz VUXJONIKDYCYRJ-UHFFFAOYSA-N 1 1 372.803 3.110 20 5 FGBDMO O=[N+]([O-])c1cccc(Br)c1C[NH+]1CCC(CCCO)CC1 ZINC000783599064 724770479 /nfs/dbraw/zinc/77/04/79/724770479.db2.gz ILNHXCOWYSCXHY-UHFFFAOYSA-N 1 1 357.248 3.342 20 5 FGBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc([N+](=O)[O-])ccn3)C[C@H]21 ZINC001165020340 721800859 /nfs/dbraw/zinc/80/08/59/721800859.db2.gz FFQYFTJVVIUEHU-ATZDWAIDSA-N 1 1 367.453 3.122 20 5 FGBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000732575977 722486192 /nfs/dbraw/zinc/48/61/92/722486192.db2.gz RNLZFYOSANKWOU-XQQFMLRXSA-N 1 1 353.850 3.344 20 5 FGBDMO COc1ccc(Cl)cc1C[C@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000741248343 722543806 /nfs/dbraw/zinc/54/38/06/722543806.db2.gz XXVSSEFWCRIJRP-CYBMUJFWSA-N 1 1 364.833 3.366 20 5 FGBDMO COc1ccc(Cl)cc1C[C@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000741248343 722543807 /nfs/dbraw/zinc/54/38/07/722543807.db2.gz XXVSSEFWCRIJRP-CYBMUJFWSA-N 1 1 364.833 3.366 20 5 FGBDMO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)OCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000754510324 722940465 /nfs/dbraw/zinc/94/04/65/722940465.db2.gz OSKWBIKCJFISIL-INIZCTEOSA-N 1 1 370.833 3.085 20 5 FGBDMO COc1cc(COC(=O)C(C)(C)[N@@H+](C)C2CCCC2)ccc1[N+](=O)[O-] ZINC000754878128 722947428 /nfs/dbraw/zinc/94/74/28/722947428.db2.gz HTTZVQFIHNUYHF-UHFFFAOYSA-N 1 1 350.415 3.300 20 5 FGBDMO C[C@H]1[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CCC12CCOCC2 ZINC000758292622 722987726 /nfs/dbraw/zinc/98/77/26/722987726.db2.gz WNNKOJSYYTXDPZ-GFCCVEGCSA-N 1 1 364.833 3.446 20 5 FGBDMO NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000760579781 723067408 /nfs/dbraw/zinc/06/74/08/723067408.db2.gz MJLLWVOIRSLGRE-HNNXBMFYSA-N 1 1 368.220 3.088 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000791129601 723213103 /nfs/dbraw/zinc/21/31/03/723213103.db2.gz OSUHZXPGRSCZFA-AAEUAGOBSA-N 1 1 371.840 3.261 20 5 FGBDMO CCC[C@@H]1CN(c2nc3ccc([N+](=O)[O-])cc3s2)CC[N@H+]1CCOC ZINC000766428785 723573522 /nfs/dbraw/zinc/57/35/22/723573522.db2.gz KWUJMXRABIHKEW-CQSZACIVSA-N 1 1 364.471 3.142 20 5 FGBDMO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-n2cnnn2)cc1 ZINC000773037928 723775018 /nfs/dbraw/zinc/77/50/18/723775018.db2.gz WINIQLNYFSZMHC-NSHDSACASA-N 1 1 358.789 3.075 20 5 FGBDMO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000776271948 724127099 /nfs/dbraw/zinc/12/70/99/724127099.db2.gz MLXDQGYEFNNLTL-SFHVURJKSA-N 1 1 361.829 3.104 20 5 FGBDMO O=[N+]([O-])c1ccc(C[NH2+]C[C@](O)(c2ccccc2)C(F)(F)F)c(F)c1 ZINC000778082441 724294065 /nfs/dbraw/zinc/29/40/65/724294065.db2.gz YAQNGOVCGOORKR-HNNXBMFYSA-N 1 1 358.291 3.274 20 5 FGBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778262283 724316299 /nfs/dbraw/zinc/31/62/99/724316299.db2.gz SFBKIRBXARFTPJ-BETUJISGSA-N 1 1 355.385 3.066 20 5 FGBDMO CCOCCC[N@H+]1CC[C@@H](NCc2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000787301683 725024080 /nfs/dbraw/zinc/02/40/80/725024080.db2.gz CNHJGEGKTMBQON-WMLDXEAASA-N 1 1 369.893 3.475 20 5 FGBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CCC[C@H]1C[NH+]1CCOCC1 ZINC000809949474 725277865 /nfs/dbraw/zinc/27/78/65/725277865.db2.gz OHMJXANXDCHFOE-AWEZNQCLSA-N 1 1 374.268 3.198 20 5 FGBDMO CS[C@H](C)CCC(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813170649 726845887 /nfs/dbraw/zinc/84/58/87/726845887.db2.gz JDBSPNJKEIUISM-CJNGLKHVSA-N 1 1 352.456 3.244 20 5 FGBDMO CS[C@H](C)CCC(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813170649 726845891 /nfs/dbraw/zinc/84/58/91/726845891.db2.gz JDBSPNJKEIUISM-CJNGLKHVSA-N 1 1 352.456 3.244 20 5 FGBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@H]1CCC(F)(F)C1 ZINC000813171533 726846069 /nfs/dbraw/zinc/84/60/69/726846069.db2.gz XZNJFBHGBKWQTR-ZFWWWQNUSA-N 1 1 354.353 3.148 20 5 FGBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@H]1CCC(F)(F)C1 ZINC000813171533 726846071 /nfs/dbraw/zinc/84/60/71/726846071.db2.gz XZNJFBHGBKWQTR-ZFWWWQNUSA-N 1 1 354.353 3.148 20 5 FGBDMO CC(C)[C@@H](CNc1cccc(Br)c1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000820617596 729011284 /nfs/dbraw/zinc/01/12/84/729011284.db2.gz SXSPXGYKIKDHIG-CQSZACIVSA-N 1 1 372.263 3.126 20 5 FGBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC[C@@H]21 ZINC000827254477 729427663 /nfs/dbraw/zinc/42/76/63/729427663.db2.gz PPDGUDDJWICLMK-ZANVPECISA-N 1 1 358.225 3.068 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000836775278 729969602 /nfs/dbraw/zinc/96/96/02/729969602.db2.gz ZSPIMVWDZVUOCK-SWLSCSKDSA-N 1 1 351.834 3.113 20 5 FGBDMO C[C@@H]1Cc2c([nH+]cn2CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000839612912 730136202 /nfs/dbraw/zinc/13/62/02/730136202.db2.gz SOKYCHMJGYWNOG-WDEREUQCSA-N 1 1 362.817 3.454 20 5 FGBDMO O=[N+]([O-])c1cc2cnn(C[N@H+]3CCC[C@H]3[C@H]3CCCOC3)c2c(Cl)c1 ZINC000842614017 730519030 /nfs/dbraw/zinc/51/90/30/730519030.db2.gz FXTMKZKRLMEYDX-LRDDRELGSA-N 1 1 364.833 3.446 20 5 FGBDMO CC[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C(=O)NCc1cccs1 ZINC000842746555 730538558 /nfs/dbraw/zinc/53/85/58/730538558.db2.gz CIBKALFYEVSXOI-AWEZNQCLSA-N 1 1 367.858 3.494 20 5 FGBDMO C[N@H+]1CC[C@H](CCOC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000847827616 731098559 /nfs/dbraw/zinc/09/85/59/731098559.db2.gz VPELFRFDWOSAJF-GFCCVEGCSA-N 1 1 361.423 3.217 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2C[C@@H](O)c3ccccc32)c1 ZINC000850371427 731349585 /nfs/dbraw/zinc/34/95/85/731349585.db2.gz JNQFNDIKBOLUEK-LSDHHAIUSA-N 1 1 350.321 3.464 20 5 FGBDMO Cc1[nH+]ccn1CCCN(C)c1cccc(Br)c1[N+](=O)[O-] ZINC000856737707 732050441 /nfs/dbraw/zinc/05/04/41/732050441.db2.gz MBTUXQYNILSCFZ-UHFFFAOYSA-N 1 1 353.220 3.389 20 5 FGBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000874827078 735935925 /nfs/dbraw/zinc/93/59/25/735935925.db2.gz BPCKWHJIXZBXCZ-STQMWFEESA-N 1 1 358.225 3.210 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](c3nc(C)cs3)C2)c1 ZINC000877813492 736727510 /nfs/dbraw/zinc/72/75/10/736727510.db2.gz GXXOVVMGXCKFNA-CYBMUJFWSA-N 1 1 361.423 3.136 20 5 FGBDMO COC1(C)CC[NH+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 ZINC000878375092 736819479 /nfs/dbraw/zinc/81/94/79/736819479.db2.gz WOXARFWNMRGTDU-UHFFFAOYSA-N 1 1 366.805 3.299 20 5 FGBDMO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCCn3nccc32)c1Br ZINC000879786937 737046196 /nfs/dbraw/zinc/04/61/96/737046196.db2.gz BGUFEZSTEGEFJF-NSHDSACASA-N 1 1 351.204 3.179 20 5 FGBDMO C[C@]1(C(F)(F)F)CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000880002254 737096137 /nfs/dbraw/zinc/09/61/37/737096137.db2.gz IMNHTGZQQQZWMH-AWEZNQCLSA-N 1 1 363.311 3.337 20 5 FGBDMO O=C(CC[N@H+]1CC[C@H](c2nccs2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000880319525 737154550 /nfs/dbraw/zinc/15/45/50/737154550.db2.gz HXCHROPOSSBQIM-NSHDSACASA-N 1 1 364.402 3.009 20 5 FGBDMO O=[N+]([O-])c1c(Br)cc(F)cc1N[C@@H]1CCn2cc[nH+]c2C1 ZINC000882208785 737433153 /nfs/dbraw/zinc/43/31/53/737433153.db2.gz BIQFRRNSDPYALT-SECBINFHSA-N 1 1 355.167 3.120 20 5 FGBDMO O=[N+]([O-])c1cc2cnn(C[N@H+]3CC[C@H]([C@H]4CCCO4)C3)c2c(Cl)c1 ZINC000884481299 737667507 /nfs/dbraw/zinc/66/75/07/737667507.db2.gz IUVYZFOGTCSFFV-XHDPSFHLSA-N 1 1 350.806 3.056 20 5 FGBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000886240731 739235920 /nfs/dbraw/zinc/23/59/20/739235920.db2.gz BOYHRYALUPMKGX-CYBMUJFWSA-N 1 1 359.348 3.171 20 5 FGBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000886240731 739235925 /nfs/dbraw/zinc/23/59/25/739235925.db2.gz BOYHRYALUPMKGX-CYBMUJFWSA-N 1 1 359.348 3.171 20 5 FGBDMO Cc1c(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000890358350 739785203 /nfs/dbraw/zinc/78/52/03/739785203.db2.gz PLCKMHHXTDDDHK-ONGXEEELSA-N 1 1 370.247 3.335 20 5 FGBDMO CC(C)[N@@H+](C)CCNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000896072559 742490969 /nfs/dbraw/zinc/49/09/69/742490969.db2.gz GTNSHLZCXUJFMN-UHFFFAOYSA-N 1 1 352.193 3.111 20 5 FGBDMO C[NH+](C)[C@H](CNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000905177369 743998543 /nfs/dbraw/zinc/99/85/43/743998543.db2.gz SKPZTHWJHUXBOR-OAHLLOKOSA-N 1 1 365.817 3.193 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000912284097 757301316 /nfs/dbraw/zinc/30/13/16/757301316.db2.gz OGQSJGZEDJTDGF-ZDUSSCGKSA-N 1 1 367.877 3.417 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000926948264 759854868 /nfs/dbraw/zinc/85/48/68/759854868.db2.gz JUXBCRCUCFEPMM-IACUBPJLSA-N 1 1 354.332 3.206 20 5 FGBDMO CN(Cc1cc([N+](=O)[O-])ccc1Br)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000930458605 760616407 /nfs/dbraw/zinc/61/64/07/760616407.db2.gz AJHSOSODPKYSTR-NNQSOWQGSA-N 1 1 368.275 3.414 20 5 FGBDMO O=[N+]([O-])c1ccc(Br)c(C[N@H+]2CC[C@@H](O)CC23CCC3)c1 ZINC000930753964 760687830 /nfs/dbraw/zinc/68/78/30/760687830.db2.gz KAXKNXZQRIXXQX-CYBMUJFWSA-N 1 1 355.232 3.237 20 5 FGBDMO O=[N+]([O-])c1ccc(Br)c(C[N@@H+]2CC[C@@H](O)CC23CCC3)c1 ZINC000930753964 760687837 /nfs/dbraw/zinc/68/78/37/760687837.db2.gz KAXKNXZQRIXXQX-CYBMUJFWSA-N 1 1 355.232 3.237 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000933440091 761390649 /nfs/dbraw/zinc/39/06/49/761390649.db2.gz XTQULVIMLOAOLP-CZUORRHYSA-N 1 1 367.877 3.370 20 5 FGBDMO Cc1noc(C[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)n1 ZINC000933572724 761431201 /nfs/dbraw/zinc/43/12/01/761431201.db2.gz AGFRYPDDWBCREW-GFCCVEGCSA-N 1 1 350.806 3.394 20 5 FGBDMO Cc1noc(C[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)n1 ZINC000933572724 761431207 /nfs/dbraw/zinc/43/12/07/761431207.db2.gz AGFRYPDDWBCREW-GFCCVEGCSA-N 1 1 350.806 3.394 20 5 FGBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000934546895 761652485 /nfs/dbraw/zinc/65/24/85/761652485.db2.gz JUKSIJLLEPJNSB-CYBMUJFWSA-N 1 1 351.472 3.024 20 5 FGBDMO Cc1[nH+]ccn1CCCN(C)C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000935012243 761767419 /nfs/dbraw/zinc/76/74/19/761767419.db2.gz XYPMAYSCTXRXSC-UHFFFAOYSA-N 1 1 364.833 3.234 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c([N+](=O)[O-])c1 ZINC000282073459 257375744 /nfs/dbraw/zinc/37/57/44/257375744.db2.gz ZFBHDZYUBBDIPP-CYBMUJFWSA-N 1 1 371.397 3.420 20 5 FGBDMO CCCc1[nH+]ccn1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000568332406 505667770 /nfs/dbraw/zinc/66/77/70/505667770.db2.gz VZKYUUIMMQLXDI-UHFFFAOYSA-N 1 1 371.178 3.397 20 5 FGBDMO Cc1c(C[N@H+](C)C2CCN(CCc3ccccn3)CC2)cccc1[N+](=O)[O-] ZINC000080968952 493804275 /nfs/dbraw/zinc/80/42/75/493804275.db2.gz SKWQFJNQIQRZBO-UHFFFAOYSA-N 1 1 368.481 3.437 20 5 FGBDMO Cc1c(CN(C)C2CC[NH+](CCc3ccccn3)CC2)cccc1[N+](=O)[O-] ZINC000080968952 493804280 /nfs/dbraw/zinc/80/42/80/493804280.db2.gz SKWQFJNQIQRZBO-UHFFFAOYSA-N 1 1 368.481 3.437 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000029483443 493840737 /nfs/dbraw/zinc/84/07/37/493840737.db2.gz GLGSOGMXNFROAR-QGZVFWFLSA-N 1 1 355.394 3.161 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000029483443 493840738 /nfs/dbraw/zinc/84/07/38/493840738.db2.gz GLGSOGMXNFROAR-QGZVFWFLSA-N 1 1 355.394 3.161 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000029622165 493847911 /nfs/dbraw/zinc/84/79/11/493847911.db2.gz CRTACNBJEFWKRZ-ZDUSSCGKSA-N 1 1 367.812 3.370 20 5 FGBDMO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000081293583 493861780 /nfs/dbraw/zinc/86/17/80/493861780.db2.gz GRINBVFOWYRTGP-CQSZACIVSA-N 1 1 351.834 3.243 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1CN1CCCCC1 ZINC000069078659 493917286 /nfs/dbraw/zinc/91/72/86/493917286.db2.gz KPUKMIDDFXOCQC-GOSISDBHSA-N 1 1 374.485 3.182 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1CN1CCCCC1 ZINC000069078659 493917290 /nfs/dbraw/zinc/91/72/90/493917290.db2.gz KPUKMIDDFXOCQC-GOSISDBHSA-N 1 1 374.485 3.182 20 5 FGBDMO CC(C)(C)C[C@@H]1CCC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000060877366 493957871 /nfs/dbraw/zinc/95/78/71/493957871.db2.gz QJZOBQONGBAZJG-LBPRGKRZSA-N 1 1 363.414 3.163 20 5 FGBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@H]1OCCc2ccccc21 ZINC000083170148 494002698 /nfs/dbraw/zinc/00/26/98/494002698.db2.gz ORFBTNGVXSATSC-GOSISDBHSA-N 1 1 353.378 3.482 20 5 FGBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@H]1OCCc2ccccc21 ZINC000083170148 494002704 /nfs/dbraw/zinc/00/27/04/494002704.db2.gz ORFBTNGVXSATSC-GOSISDBHSA-N 1 1 353.378 3.482 20 5 FGBDMO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)N1 ZINC000007126504 494002952 /nfs/dbraw/zinc/00/29/52/494002952.db2.gz QPYXJTDZQPGLQG-QGZVFWFLSA-N 1 1 374.360 3.301 20 5 FGBDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](c2ccccc2)O1 ZINC000070695763 494048556 /nfs/dbraw/zinc/04/85/56/494048556.db2.gz GMTRWKKPUCYKIV-DNVCBOLYSA-N 1 1 369.421 3.385 20 5 FGBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](c2ccccc2)O1 ZINC000070695763 494048558 /nfs/dbraw/zinc/04/85/58/494048558.db2.gz GMTRWKKPUCYKIV-DNVCBOLYSA-N 1 1 369.421 3.385 20 5 FGBDMO C[N@@H+](CCCc1ccccc1)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000052802855 494063629 /nfs/dbraw/zinc/06/36/29/494063629.db2.gz CZGIYOXYZKRXJV-UHFFFAOYSA-N 1 1 353.422 3.049 20 5 FGBDMO COc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000008241780 494078627 /nfs/dbraw/zinc/07/86/27/494078627.db2.gz ZYHFAJXFDUYQFQ-SNVBAGLBSA-N 1 1 365.336 3.171 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000063831152 494092424 /nfs/dbraw/zinc/09/24/24/494092424.db2.gz FXYKCEWMIMTQGQ-OKILXGFUSA-N 1 1 358.442 3.174 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1F ZINC000072032888 494117965 /nfs/dbraw/zinc/11/79/65/494117965.db2.gz HBISQIXYNGGSQB-UHFFFAOYSA-N 1 1 368.368 3.466 20 5 FGBDMO NC(=O)c1ccc(NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c([N+](=O)[O-])c1 ZINC000064550909 494133458 /nfs/dbraw/zinc/13/34/58/494133458.db2.gz YUQHGWGMNBAFEC-CYBMUJFWSA-N 1 1 374.466 3.079 20 5 FGBDMO CCCCNC(=O)C1([NH2+]Cc2c(F)cccc2[N+](=O)[O-])CCCCC1 ZINC000085906754 494140865 /nfs/dbraw/zinc/14/08/65/494140865.db2.gz SXVCADDVONNIIS-UHFFFAOYSA-N 1 1 351.422 3.443 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2N)cc1 ZINC000086248485 494146555 /nfs/dbraw/zinc/14/65/55/494146555.db2.gz GXNPWQISGVAKPL-LBPRGKRZSA-N 1 1 365.393 3.162 20 5 FGBDMO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CCCC1 ZINC000053814221 494169402 /nfs/dbraw/zinc/16/94/02/494169402.db2.gz LYEKJGXHBCDWDQ-UHFFFAOYSA-N 1 1 356.220 3.170 20 5 FGBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)COCc1cccs1 ZINC000065512356 494206496 /nfs/dbraw/zinc/20/64/96/494206496.db2.gz HJYCISUKGZCABO-KRWDZBQOSA-N 1 1 364.467 3.444 20 5 FGBDMO C[N@@H+](CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000054281622 494215627 /nfs/dbraw/zinc/21/56/27/494215627.db2.gz OQKNKMFJVIWROU-UHFFFAOYSA-N 1 1 368.437 3.031 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCS[C@@H](C(C)C)C1 ZINC000072836712 494261859 /nfs/dbraw/zinc/26/18/59/494261859.db2.gz KFBWTYHWWWHJHO-MRXNPFEDSA-N 1 1 367.471 3.005 20 5 FGBDMO C[C@H]1CCC[N@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000014787002 494324870 /nfs/dbraw/zinc/32/48/70/494324870.db2.gz IOYQOJWGXNHJOA-LBPRGKRZSA-N 1 1 360.439 3.389 20 5 FGBDMO C[C@H]1CCC[N@@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000014787002 494324874 /nfs/dbraw/zinc/32/48/74/494324874.db2.gz IOYQOJWGXNHJOA-LBPRGKRZSA-N 1 1 360.439 3.389 20 5 FGBDMO COc1ccc(C[N@H+]2CCCN(Cc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000055504532 494353728 /nfs/dbraw/zinc/35/37/28/494353728.db2.gz RYUXEBYTHVDFDQ-UHFFFAOYSA-N 1 1 355.438 3.311 20 5 FGBDMO COc1ccc(CN2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000055504532 494353733 /nfs/dbraw/zinc/35/37/33/494353733.db2.gz RYUXEBYTHVDFDQ-UHFFFAOYSA-N 1 1 355.438 3.311 20 5 FGBDMO COc1ccc(CN2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000055504532 494353736 /nfs/dbraw/zinc/35/37/36/494353736.db2.gz RYUXEBYTHVDFDQ-UHFFFAOYSA-N 1 1 355.438 3.311 20 5 FGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000078882450 494375412 /nfs/dbraw/zinc/37/54/12/494375412.db2.gz FWNVUHBDDRGKGE-AWEZNQCLSA-N 1 1 373.375 3.305 20 5 FGBDMO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000016554743 494394570 /nfs/dbraw/zinc/39/45/70/494394570.db2.gz LHQZFHWKIMPBJR-CYBMUJFWSA-N 1 1 373.409 3.071 20 5 FGBDMO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000016554743 494394577 /nfs/dbraw/zinc/39/45/77/494394577.db2.gz LHQZFHWKIMPBJR-CYBMUJFWSA-N 1 1 373.409 3.071 20 5 FGBDMO COc1cc(C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C2CC2)ccc1O ZINC000089973717 494418262 /nfs/dbraw/zinc/41/82/62/494418262.db2.gz IJLMOIMQCKSMIN-UHFFFAOYSA-N 1 1 358.394 3.482 20 5 FGBDMO COc1cc(C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C2CC2)ccc1O ZINC000089973717 494418266 /nfs/dbraw/zinc/41/82/66/494418266.db2.gz IJLMOIMQCKSMIN-UHFFFAOYSA-N 1 1 358.394 3.482 20 5 FGBDMO CCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCc2ccccc2C1 ZINC000090519244 494476460 /nfs/dbraw/zinc/47/64/60/494476460.db2.gz VLQWMECWBFHTLN-SFHVURJKSA-N 1 1 355.438 3.026 20 5 FGBDMO C[C@H]1C[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000079553902 494479658 /nfs/dbraw/zinc/47/96/58/494479658.db2.gz WAIDJEUYXMYCOD-QFBILLFUSA-N 1 1 367.449 3.307 20 5 FGBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccc(Br)o1 ZINC000046054427 494490973 /nfs/dbraw/zinc/49/09/73/494490973.db2.gz FQXOUQANNBTIHY-UHFFFAOYSA-N 1 1 355.188 3.461 20 5 FGBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079670118 494505150 /nfs/dbraw/zinc/50/51/50/494505150.db2.gz CPSCHFHGYJUPGN-SFHVURJKSA-N 1 1 368.437 3.059 20 5 FGBDMO COc1ccc(C[N@H+](C)[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1C ZINC000067399426 494532118 /nfs/dbraw/zinc/53/21/18/494532118.db2.gz COLOXACPQLVUSM-GOSISDBHSA-N 1 1 369.421 3.149 20 5 FGBDMO COc1ccc(C[N@@H+](C)[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1C ZINC000067399426 494532119 /nfs/dbraw/zinc/53/21/19/494532119.db2.gz COLOXACPQLVUSM-GOSISDBHSA-N 1 1 369.421 3.149 20 5 FGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000023236264 494557281 /nfs/dbraw/zinc/55/72/81/494557281.db2.gz DBJVTYRHGLMAPN-IUODEOHRSA-N 1 1 363.439 3.088 20 5 FGBDMO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000067536395 494560247 /nfs/dbraw/zinc/56/02/47/494560247.db2.gz PNMQVOPNZXNPCX-SFHVURJKSA-N 1 1 368.437 3.059 20 5 FGBDMO CC[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000107892427 494618603 /nfs/dbraw/zinc/61/86/03/494618603.db2.gz XWSDNUWJASDIRZ-OAHLLOKOSA-N 1 1 369.421 3.459 20 5 FGBDMO Cc1cc(C)cc(C2=CC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)c1 ZINC000092428557 494624224 /nfs/dbraw/zinc/62/42/24/494624224.db2.gz HINDLKDEEZVRDT-UHFFFAOYSA-N 1 1 353.422 3.163 20 5 FGBDMO CCC[C@@H]([NH2+]C[C@@H](C)CN1CCN(CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000121260451 494671184 /nfs/dbraw/zinc/67/11/84/494671184.db2.gz WRBFWKWDSVBQIG-YLJYHZDGSA-N 1 1 362.518 3.299 20 5 FGBDMO Cc1ccc(CN2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000092587173 494677792 /nfs/dbraw/zinc/67/77/92/494677792.db2.gz RKNQFMIMNIIWAM-IRXDYDNUSA-N 1 1 361.486 3.224 20 5 FGBDMO O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000131652453 494686613 /nfs/dbraw/zinc/68/66/13/494686613.db2.gz FFHDKLNDLQIGNN-SFHVURJKSA-N 1 1 365.433 3.396 20 5 FGBDMO C[N@@H+](Cc1nc2ccccc2s1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000025233612 494711611 /nfs/dbraw/zinc/71/16/11/494711611.db2.gz LHXZJGPBSCKESM-AWEZNQCLSA-N 1 1 373.434 3.076 20 5 FGBDMO C[N@H+](Cc1nc2ccccc2s1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000025233612 494711615 /nfs/dbraw/zinc/71/16/15/494711615.db2.gz LHXZJGPBSCKESM-AWEZNQCLSA-N 1 1 373.434 3.076 20 5 FGBDMO Cc1cc(NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000080543921 494731622 /nfs/dbraw/zinc/73/16/22/494731622.db2.gz JDOBKLOLNFLRRP-KRWDZBQOSA-N 1 1 354.882 3.241 20 5 FGBDMO C[C@@]1(c2ccccc2)C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000121574252 494807293 /nfs/dbraw/zinc/80/72/93/494807293.db2.gz QLPNEPSDCKYEHV-FQEVSTJZSA-N 1 1 369.421 3.171 20 5 FGBDMO C[C@@]1(c2ccccc2)C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000121574252 494807300 /nfs/dbraw/zinc/80/73/00/494807300.db2.gz QLPNEPSDCKYEHV-FQEVSTJZSA-N 1 1 369.421 3.171 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1ccccc1F ZINC000026224717 494810540 /nfs/dbraw/zinc/81/05/40/494810540.db2.gz RITPOSTZCVIQBY-UHFFFAOYSA-N 1 1 361.373 3.203 20 5 FGBDMO COCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000026447316 494825482 /nfs/dbraw/zinc/82/54/82/494825482.db2.gz IJLAUONRNGQGFV-UHFFFAOYSA-N 1 1 355.822 3.078 20 5 FGBDMO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000026484925 494828567 /nfs/dbraw/zinc/82/85/67/494828567.db2.gz JYCSXBOXNVCQDS-HNNXBMFYSA-N 1 1 357.435 3.383 20 5 FGBDMO O=C(C[N@H+]1CCC[C@H]1c1cccs1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000026484925 494828568 /nfs/dbraw/zinc/82/85/68/494828568.db2.gz JYCSXBOXNVCQDS-HNNXBMFYSA-N 1 1 357.435 3.383 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](C)c1cccnc1 ZINC000093235310 494848420 /nfs/dbraw/zinc/84/84/20/494848420.db2.gz AAUZAOLDPMPKNQ-CYBMUJFWSA-N 1 1 358.398 3.020 20 5 FGBDMO CCn1c(SCC[C@@H]2CCC[N@H+]2C)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000126846533 494848810 /nfs/dbraw/zinc/84/88/10/494848810.db2.gz IJKDFBQQAVGOIC-AWEZNQCLSA-N 1 1 361.471 3.450 20 5 FGBDMO CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093281093 494858697 /nfs/dbraw/zinc/85/86/97/494858697.db2.gz SLDALDLJHXDOPS-OJXHRBAXSA-N 1 1 359.470 3.482 20 5 FGBDMO CC(C)C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCCc2cccnc21 ZINC000126947380 494867102 /nfs/dbraw/zinc/86/71/02/494867102.db2.gz UTVFEPMNYHRVCO-SFHVURJKSA-N 1 1 370.453 3.187 20 5 FGBDMO COc1cc(C[N@H+](C)[C@@H](CCO)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000093442548 494891237 /nfs/dbraw/zinc/89/12/37/494891237.db2.gz WKBUHAXLTHIRMM-INIZCTEOSA-N 1 1 360.410 3.168 20 5 FGBDMO COc1cc(C[N@@H+](C)[C@@H](CCO)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000093442548 494891241 /nfs/dbraw/zinc/89/12/41/494891241.db2.gz WKBUHAXLTHIRMM-INIZCTEOSA-N 1 1 360.410 3.168 20 5 FGBDMO CNC(=O)CC1CC[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000093587744 494901970 /nfs/dbraw/zinc/90/19/70/494901970.db2.gz FQNWMIOINABURC-UHFFFAOYSA-N 1 1 374.466 3.066 20 5 FGBDMO CC[N@@H+](C)C[C@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000093769986 494920460 /nfs/dbraw/zinc/92/04/60/494920460.db2.gz TYCAYNMVCLXXCL-CQSZACIVSA-N 1 1 360.483 3.492 20 5 FGBDMO C[N@H+]1CC[C@H](CNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000109848424 494924476 /nfs/dbraw/zinc/92/44/76/494924476.db2.gz MBQSKDUBTVXGNG-CQSZACIVSA-N 1 1 354.410 3.020 20 5 FGBDMO Cc1c(CC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000122219558 494942130 /nfs/dbraw/zinc/94/21/30/494942130.db2.gz VRGAYKBUADWMSN-HNNXBMFYSA-N 1 1 355.438 3.082 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000134230341 495123975 /nfs/dbraw/zinc/12/39/75/495123975.db2.gz MLZFIGYXLBHRGT-KDOFPFPSSA-N 1 1 369.421 3.166 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000134230341 495123979 /nfs/dbraw/zinc/12/39/79/495123979.db2.gz MLZFIGYXLBHRGT-KDOFPFPSSA-N 1 1 369.421 3.166 20 5 FGBDMO Cc1c(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000134897342 495218349 /nfs/dbraw/zinc/21/83/49/495218349.db2.gz WQGZTCJJCBCRHB-RHSMWYFYSA-N 1 1 353.422 3.296 20 5 FGBDMO C[C@H]1C[C@@H](N(C)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@H+]1C ZINC000124046708 495225935 /nfs/dbraw/zinc/22/59/35/495225935.db2.gz KLQPAGFRUHAODS-JSGCOSHPSA-N 1 1 374.466 3.273 20 5 FGBDMO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000103469975 495237371 /nfs/dbraw/zinc/23/73/71/495237371.db2.gz RNJVOICNWCOGDJ-KGLIPLIRSA-N 1 1 351.422 3.251 20 5 FGBDMO O=C(CC[N@H+]1CCC[C@@H]1c1ccncc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000129502845 495254455 /nfs/dbraw/zinc/25/44/55/495254455.db2.gz DFIXOXIJFZVMKD-QGZVFWFLSA-N 1 1 358.373 3.295 20 5 FGBDMO COC[C@@H]1CCC[N@@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000112988003 495264194 /nfs/dbraw/zinc/26/41/94/495264194.db2.gz AJHAIIJDZIOXRJ-LLVKDONJSA-N 1 1 360.357 3.063 20 5 FGBDMO Cc1c(C[NH+]2CCN(c3ncnc4ccsc43)CC2)cccc1[N+](=O)[O-] ZINC000124442355 495288444 /nfs/dbraw/zinc/28/84/44/495288444.db2.gz BPFIFFQLZIDYKW-UHFFFAOYSA-N 1 1 369.450 3.230 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000129750799 495290456 /nfs/dbraw/zinc/29/04/56/495290456.db2.gz MBDRFMGYEJVJKI-KDOFPFPSSA-N 1 1 353.422 3.319 20 5 FGBDMO CC[C@@H](c1ccncc1)[N@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000130098671 495341348 /nfs/dbraw/zinc/34/13/48/495341348.db2.gz JOHBHXREKBTDPC-INIZCTEOSA-N 1 1 358.398 3.020 20 5 FGBDMO CC[C@@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000130098671 495341351 /nfs/dbraw/zinc/34/13/51/495341351.db2.gz JOHBHXREKBTDPC-INIZCTEOSA-N 1 1 358.398 3.020 20 5 FGBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000130310198 495371701 /nfs/dbraw/zinc/37/17/01/495371701.db2.gz BKQWXLARUSPJKJ-CYBMUJFWSA-N 1 1 358.442 3.316 20 5 FGBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000136608778 495390244 /nfs/dbraw/zinc/39/02/44/495390244.db2.gz PLEDTXSZSRPFKS-GFCCVEGCSA-N 1 1 353.850 3.489 20 5 FGBDMO Cc1ccccc1[C@H](C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000137606544 495446674 /nfs/dbraw/zinc/44/66/74/495446674.db2.gz PUWMGYJTVQRLSZ-INIZCTEOSA-N 1 1 353.422 3.422 20 5 FGBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000121033347 495508635 /nfs/dbraw/zinc/50/86/35/495508635.db2.gz QKTFNACYGSFYCM-HZPDHXFCSA-N 1 1 374.485 3.389 20 5 FGBDMO COc1cc(C[N@@H+](C)[C@@H](CO)CC(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000185330634 495534434 /nfs/dbraw/zinc/53/44/34/495534434.db2.gz KVDLUPUYNQPWQT-GFCCVEGCSA-N 1 1 362.373 3.044 20 5 FGBDMO CSc1ccc(C(=O)N2CC[N@@H+](C)CC23CCCCC3)cc1[N+](=O)[O-] ZINC000176237462 495557859 /nfs/dbraw/zinc/55/78/59/495557859.db2.gz MGDZPXRQNMFPBA-UHFFFAOYSA-N 1 1 363.483 3.407 20 5 FGBDMO COc1cc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc2c1OCO2 ZINC000154301525 495574067 /nfs/dbraw/zinc/57/40/67/495574067.db2.gz SFRNAFXQXKYZNM-UHFFFAOYSA-N 1 1 356.378 3.497 20 5 FGBDMO COc1cc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc2c1OCO2 ZINC000154301525 495574071 /nfs/dbraw/zinc/57/40/71/495574071.db2.gz SFRNAFXQXKYZNM-UHFFFAOYSA-N 1 1 356.378 3.497 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000173598884 495605522 /nfs/dbraw/zinc/60/55/22/495605522.db2.gz FVSFQJADBUBRES-HNNXBMFYSA-N 1 1 371.437 3.244 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[C@H](C[NH+]4CCCC4)C3)o2)c1 ZINC000150750076 495621743 /nfs/dbraw/zinc/62/17/43/495621743.db2.gz YVRDZADCMDMPSE-MRXNPFEDSA-N 1 1 370.453 3.210 20 5 FGBDMO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000574532182 505795050 /nfs/dbraw/zinc/79/50/50/505795050.db2.gz VLYSHWMEXRGMLR-OAHLLOKOSA-N 1 1 354.410 3.097 20 5 FGBDMO COc1ccnc(N2CC[NH+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC000182747511 495686189 /nfs/dbraw/zinc/68/61/89/495686189.db2.gz JGEHNBBCPSXVRG-HNNXBMFYSA-N 1 1 356.426 3.190 20 5 FGBDMO COc1cc[nH+]c(N2CCN([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC000182747511 495686193 /nfs/dbraw/zinc/68/61/93/495686193.db2.gz JGEHNBBCPSXVRG-HNNXBMFYSA-N 1 1 356.426 3.190 20 5 FGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000176539899 495689645 /nfs/dbraw/zinc/68/96/45/495689645.db2.gz JPWDAWZNMUQSHK-MJGOQNOKSA-N 1 1 374.485 3.186 20 5 FGBDMO Cc1nn(C)c(C)c1C[NH+]1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182753528 495690886 /nfs/dbraw/zinc/69/08/86/495690886.db2.gz FZMSGBKXIDWEBE-QGZVFWFLSA-N 1 1 371.485 3.132 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185712633 495693160 /nfs/dbraw/zinc/69/31/60/495693160.db2.gz GIBKEUCVJZWGMO-CVEARBPZSA-N 1 1 374.485 3.084 20 5 FGBDMO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185753374 495711545 /nfs/dbraw/zinc/71/15/45/495711545.db2.gz OHSXWSSOSJCBMY-JKSUJKDBSA-N 1 1 374.485 3.166 20 5 FGBDMO C[C@H]1C[C@@H](N(C)C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000182843368 495724371 /nfs/dbraw/zinc/72/43/71/495724371.db2.gz BUYNFCVLBOWCGA-AAEUAGOBSA-N 1 1 371.890 3.281 20 5 FGBDMO COc1ccc(OC)c([C@H](C)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000171139538 495739757 /nfs/dbraw/zinc/73/97/57/495739757.db2.gz NGWDSZMMFKDHOY-ZDUSSCGKSA-N 1 1 373.409 3.210 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3c[nH]c(-c4ccccc4)n3)C2)nc1 ZINC000179818802 495747825 /nfs/dbraw/zinc/74/78/25/495747825.db2.gz BQOFSDQHVODYQJ-HNNXBMFYSA-N 1 1 364.409 3.066 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3c[nH]c(-c4ccccc4)n3)C2)nc1 ZINC000179818802 495747834 /nfs/dbraw/zinc/74/78/34/495747834.db2.gz BQOFSDQHVODYQJ-HNNXBMFYSA-N 1 1 364.409 3.066 20 5 FGBDMO Cc1ccc([C@@H](C)NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000176725163 495763800 /nfs/dbraw/zinc/76/38/00/495763800.db2.gz URYSWAVSUOQPNZ-WBVHZDCISA-N 1 1 362.474 3.480 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000182996549 495791600 /nfs/dbraw/zinc/79/16/00/495791600.db2.gz TVUAIRBXVLSUMQ-CQSZACIVSA-N 1 1 358.394 3.340 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+](C)Cc2cccc(N(C)C)c2)cccc1[N+](=O)[O-] ZINC000159820959 495816724 /nfs/dbraw/zinc/81/67/24/495816724.db2.gz UBKLSQQUUACUFV-UHFFFAOYSA-N 1 1 370.453 3.430 20 5 FGBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000186012678 495820788 /nfs/dbraw/zinc/82/07/88/495820788.db2.gz PYCWMFIBHKTMDK-CYBMUJFWSA-N 1 1 368.865 3.122 20 5 FGBDMO COc1cccc(F)c1[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000174229676 495872622 /nfs/dbraw/zinc/87/26/22/495872622.db2.gz QJQBBGSQHKGLCM-NWDGAFQWSA-N 1 1 361.373 3.420 20 5 FGBDMO CCOc1cc(N2CC[NH+]([C@@H](C)c3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000160086403 495881563 /nfs/dbraw/zinc/88/15/63/495881563.db2.gz JQTBZFPOORAJCN-HNNXBMFYSA-N 1 1 356.426 3.272 20 5 FGBDMO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccc([N+](=O)[O-])cc1C ZINC000183229631 495889821 /nfs/dbraw/zinc/88/98/21/495889821.db2.gz MWFCSFRUTGGNHP-UHFFFAOYSA-N 1 1 359.401 3.181 20 5 FGBDMO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccc([N+](=O)[O-])cc1C ZINC000183229631 495889826 /nfs/dbraw/zinc/88/98/26/495889826.db2.gz MWFCSFRUTGGNHP-UHFFFAOYSA-N 1 1 359.401 3.181 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@@H]4OCCC[C@@H]4C3)o2)c1 ZINC000155386529 495940975 /nfs/dbraw/zinc/94/09/75/495940975.db2.gz GBTYKSDYGDZYKP-WBVHZDCISA-N 1 1 357.410 3.293 20 5 FGBDMO CC(C)Cn1cc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000183357170 495945201 /nfs/dbraw/zinc/94/52/01/495945201.db2.gz RZCQIRWYUFNNTF-UHFFFAOYSA-N 1 1 358.442 3.491 20 5 FGBDMO C[C@@H]1C[NH+](CCC2CCN(Cc3ccccc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000177482584 496079881 /nfs/dbraw/zinc/07/98/81/496079881.db2.gz JYHVONDWYXSJHV-IAGOWNOFSA-N 1 1 361.486 3.306 20 5 FGBDMO COc1ccc(OCC[N@H+]2CC[C@]3(C2)OCc2ccccc23)c([N+](=O)[O-])c1 ZINC000186711977 496117007 /nfs/dbraw/zinc/11/70/07/496117007.db2.gz PPENGJHZPZZEHS-HXUWFJFHSA-N 1 1 370.405 3.114 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@@H](Cn4ccnn4)C3)o2)cc1 ZINC000180799362 496151432 /nfs/dbraw/zinc/15/14/32/496151432.db2.gz DYZBTJAOFITNHQ-OAHLLOKOSA-N 1 1 367.409 3.359 20 5 FGBDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cccc(Cl)c1[N+](=O)[O-])C2 ZINC000177682837 496157589 /nfs/dbraw/zinc/15/75/89/496157589.db2.gz NYAAYFQUTYRJPH-QWHCGFSZSA-N 1 1 351.834 3.336 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000574665814 505827261 /nfs/dbraw/zinc/82/72/61/505827261.db2.gz MZLLVNNVVRRCHN-GOSISDBHSA-N 1 1 354.410 3.424 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000574665814 505827263 /nfs/dbraw/zinc/82/72/63/505827263.db2.gz MZLLVNNVVRRCHN-GOSISDBHSA-N 1 1 354.410 3.424 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2c(N)cccc2[N+](=O)[O-])cc1 ZINC000180848009 496170000 /nfs/dbraw/zinc/17/00/00/496170000.db2.gz IXCBEICPSGGERV-LBPRGKRZSA-N 1 1 365.393 3.162 20 5 FGBDMO CCc1cnc(C[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)s1 ZINC000177770480 496189119 /nfs/dbraw/zinc/18/91/19/496189119.db2.gz AUPIMJGTQANDKB-UHFFFAOYSA-N 1 1 362.455 3.383 20 5 FGBDMO CCc1cnc(C[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)s1 ZINC000177770480 496189122 /nfs/dbraw/zinc/18/91/22/496189122.db2.gz AUPIMJGTQANDKB-UHFFFAOYSA-N 1 1 362.455 3.383 20 5 FGBDMO CCS(=O)(=O)C[C@H](C)[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180894376 496189917 /nfs/dbraw/zinc/18/99/17/496189917.db2.gz SHGIFTCPVAUREW-KBXCAEBGSA-N 1 1 362.451 3.097 20 5 FGBDMO O=C(NC[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC000178059829 496309597 /nfs/dbraw/zinc/30/95/97/496309597.db2.gz NLVGFKWXRWIWIL-QGZVFWFLSA-N 1 1 353.422 3.237 20 5 FGBDMO CCOC(=O)CC[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000162216836 496316283 /nfs/dbraw/zinc/31/62/83/496316283.db2.gz RLYZDMZNNCELBU-HNNXBMFYSA-N 1 1 350.415 3.029 20 5 FGBDMO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162536323 496369475 /nfs/dbraw/zinc/36/94/75/496369475.db2.gz OTJSSLGYHJRLEW-FZMZJTMJSA-N 1 1 357.248 3.483 20 5 FGBDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162536323 496369479 /nfs/dbraw/zinc/36/94/79/496369479.db2.gz OTJSSLGYHJRLEW-FZMZJTMJSA-N 1 1 357.248 3.483 20 5 FGBDMO CCCCNC(=O)C1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000163265882 496490426 /nfs/dbraw/zinc/49/04/26/496490426.db2.gz RPNUJJKKGRNZRE-UHFFFAOYSA-N 1 1 353.850 3.377 20 5 FGBDMO C[NH+](C)[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccco1 ZINC000173078891 496541417 /nfs/dbraw/zinc/54/14/17/496541417.db2.gz VMTDYUZWTOCOAB-ZDUSSCGKSA-N 1 1 371.315 3.239 20 5 FGBDMO Cc1cnc(CC[N@@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)s1 ZINC000157782599 496553224 /nfs/dbraw/zinc/55/32/24/496553224.db2.gz GYYFOJQFAZHBDM-CYBMUJFWSA-N 1 1 362.455 3.170 20 5 FGBDMO Cc1cnc(CC[N@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)s1 ZINC000157782599 496553227 /nfs/dbraw/zinc/55/32/27/496553227.db2.gz GYYFOJQFAZHBDM-CYBMUJFWSA-N 1 1 362.455 3.170 20 5 FGBDMO Cc1ccc(N2CCC(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)[nH+]c1 ZINC000157817368 496563206 /nfs/dbraw/zinc/56/32/06/496563206.db2.gz VPRQHYKUKBPGKA-UHFFFAOYSA-N 1 1 374.828 3.350 20 5 FGBDMO CC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H](C)Cc1ccsc1 ZINC000187781721 496570107 /nfs/dbraw/zinc/57/01/07/496570107.db2.gz RBBAUGVESAMASX-CQSZACIVSA-N 1 1 373.478 3.499 20 5 FGBDMO CC[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](C)c1cccc(O)c1 ZINC000181957968 496613255 /nfs/dbraw/zinc/61/32/55/496613255.db2.gz OMSHEUYYPYQNSC-WMLDXEAASA-N 1 1 360.410 3.123 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)ccc1Cl ZINC000153940591 496630408 /nfs/dbraw/zinc/63/04/08/496630408.db2.gz UUECTMCGELYNSX-ZDUSSCGKSA-N 1 1 361.833 3.166 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)ccc1Cl ZINC000153940591 496630414 /nfs/dbraw/zinc/63/04/14/496630414.db2.gz UUECTMCGELYNSX-ZDUSSCGKSA-N 1 1 361.833 3.166 20 5 FGBDMO CCC(C)(C)[C@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182233737 496715486 /nfs/dbraw/zinc/71/54/86/496715486.db2.gz WSDVERQNWSQDSR-MRXNPFEDSA-N 1 1 354.472 3.269 20 5 FGBDMO CCC(C)(C)[C@H]1CCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182233737 496715491 /nfs/dbraw/zinc/71/54/91/496715491.db2.gz WSDVERQNWSQDSR-MRXNPFEDSA-N 1 1 354.472 3.269 20 5 FGBDMO C[C@@H](c1nc2ccccc2s1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000179222583 496715957 /nfs/dbraw/zinc/71/59/57/496715957.db2.gz FJANGFVLQUXFKV-LBPRGKRZSA-N 1 1 358.423 3.059 20 5 FGBDMO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000179222583 496715960 /nfs/dbraw/zinc/71/59/60/496715960.db2.gz FJANGFVLQUXFKV-LBPRGKRZSA-N 1 1 358.423 3.059 20 5 FGBDMO CSc1cccc(C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)c1[N+](=O)[O-] ZINC000188245591 496722827 /nfs/dbraw/zinc/72/28/27/496722827.db2.gz HSEPCUNCRFHSPJ-UHFFFAOYSA-N 1 1 374.466 3.145 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@]1(CO)CC(C)C ZINC000191654760 496847233 /nfs/dbraw/zinc/84/72/33/496847233.db2.gz WQMOGTREXRQZCH-LJQANCHMSA-N 1 1 363.458 3.105 20 5 FGBDMO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000269581546 496974266 /nfs/dbraw/zinc/97/42/66/496974266.db2.gz WLOWDWIBJFIRAE-RHSMWYFYSA-N 1 1 368.437 3.165 20 5 FGBDMO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248373139 496986297 /nfs/dbraw/zinc/98/62/97/496986297.db2.gz GQPKTKAEBVUXQP-GXTWGEPZSA-N 1 1 366.364 3.306 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000248390286 496991448 /nfs/dbraw/zinc/99/14/48/496991448.db2.gz HWOIESFVSHQBDX-SUMDDJOVSA-N 1 1 361.486 3.352 20 5 FGBDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248468610 497021756 /nfs/dbraw/zinc/02/17/56/497021756.db2.gz UEEXGPLUDQRXGU-KBAYOESNSA-N 1 1 356.422 3.213 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC([C@@H]4CCCO4)CC3)o2)cc1 ZINC000189152602 497026092 /nfs/dbraw/zinc/02/60/92/497026092.db2.gz ILIVHBINWXXMHB-INIZCTEOSA-N 1 1 358.398 3.036 20 5 FGBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000278255385 497052678 /nfs/dbraw/zinc/05/26/78/497052678.db2.gz WIZFWVJNMXCXKR-BFUOFWGJSA-N 1 1 361.445 3.306 20 5 FGBDMO COc1cc(C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)c([N+](=O)[O-])cc1F ZINC000274280622 497058981 /nfs/dbraw/zinc/05/89/81/497058981.db2.gz DABJSVKHSRSIBZ-FTJNGKRUSA-N 1 1 366.414 3.331 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CCS[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000569222104 505882823 /nfs/dbraw/zinc/88/28/23/505882823.db2.gz JGMNUEUTJADIDY-GOSISDBHSA-N 1 1 373.478 3.154 20 5 FGBDMO CSc1cccc(C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000249121167 497171163 /nfs/dbraw/zinc/17/11/63/497171163.db2.gz HCTBZGSMDHHKGK-QWHCGFSZSA-N 1 1 351.472 3.167 20 5 FGBDMO C[N@@H+](CCCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)C1CCCCC1 ZINC000189637582 497190900 /nfs/dbraw/zinc/19/09/00/497190900.db2.gz ZPWXZPOSSOETQG-UHFFFAOYSA-N 1 1 369.487 3.065 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCCCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000189681306 497209449 /nfs/dbraw/zinc/20/94/49/497209449.db2.gz OVMIAROXMIQEQW-AWEZNQCLSA-N 1 1 369.487 3.065 20 5 FGBDMO CC[C@]1(CO)CCC[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000249543693 497220105 /nfs/dbraw/zinc/22/01/05/497220105.db2.gz FRCVWCLYFZSFLR-ACJLOTCBSA-N 1 1 360.414 3.190 20 5 FGBDMO COc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc([N+](=O)[O-])c1C ZINC000249711324 497235513 /nfs/dbraw/zinc/23/55/13/497235513.db2.gz YLEHGZUVHKRHIZ-LPHOPBHVSA-N 1 1 369.421 3.087 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000271196934 497288105 /nfs/dbraw/zinc/28/81/05/497288105.db2.gz OWYJXDOHJGPKFV-UHFFFAOYSA-N 1 1 352.341 3.299 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])c(NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)n1 ZINC000578256425 505898841 /nfs/dbraw/zinc/89/88/41/505898841.db2.gz HGBWXWRSMNFHFV-GOSISDBHSA-N 1 1 370.453 3.175 20 5 FGBDMO C[C@@H](c1cccnc1)[NH+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255167318 497360683 /nfs/dbraw/zinc/36/06/83/497360683.db2.gz DFJNNKROMJLKSQ-AFCDSYGPSA-N 1 1 352.438 3.382 20 5 FGBDMO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCc2sccc2C1)c1ccccc1[N+](=O)[O-] ZINC000271576139 497387271 /nfs/dbraw/zinc/38/72/71/497387271.db2.gz AYSXMBVTKZITOF-OLZOCXBDSA-N 1 1 359.451 3.280 20 5 FGBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275687582 497403596 /nfs/dbraw/zinc/40/35/96/497403596.db2.gz PFZYNWJTPBYWLP-WOJBJXKFSA-N 1 1 361.445 3.450 20 5 FGBDMO COc1cc(C[N@H+]2CCSC[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000190473851 497493975 /nfs/dbraw/zinc/49/39/75/497493975.db2.gz RBJASSCZSRNWIY-SNVBAGLBSA-N 1 1 362.398 3.390 20 5 FGBDMO C[C@@H](Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000245731403 497519719 /nfs/dbraw/zinc/51/97/19/497519719.db2.gz ITLHOLFHXHCONB-KUHUBIRLSA-N 1 1 368.437 3.218 20 5 FGBDMO C[C@@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272274007 497582955 /nfs/dbraw/zinc/58/29/55/497582955.db2.gz LUOUAEQVXVJMKR-ZBFHGGJFSA-N 1 1 371.412 3.374 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]C[C@](C)(O)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000276761982 497645567 /nfs/dbraw/zinc/64/55/67/497645567.db2.gz HAHVOCLDPVYTGL-ICSRJNTNSA-N 1 1 372.469 3.339 20 5 FGBDMO CCO[C@@H]1C[C@H]([NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000272513730 497648493 /nfs/dbraw/zinc/64/84/93/497648493.db2.gz JPKIGGNFEKAJQY-KSZLIROESA-N 1 1 370.453 3.355 20 5 FGBDMO CC(C)[N@H+]1CCC[C@H](CN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272515335 497648989 /nfs/dbraw/zinc/64/89/89/497648989.db2.gz JVRREUNWIHNUAZ-VQIMIIECSA-N 1 1 371.485 3.128 20 5 FGBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246354593 497706296 /nfs/dbraw/zinc/70/62/96/497706296.db2.gz KHVNQPKNTJZYJA-ZBFHGGJFSA-N 1 1 360.458 3.025 20 5 FGBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000246764312 497808825 /nfs/dbraw/zinc/80/88/25/497808825.db2.gz HUYKNJMCFPOTBD-IEBWSBKVSA-N 1 1 374.485 3.043 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCN(C)[C@@H](c2nc(C3CC3)no2)C1 ZINC000284561770 497829118 /nfs/dbraw/zinc/82/91/18/497829118.db2.gz GAEXMTXCAUMFMD-CXAGYDPISA-N 1 1 371.441 3.213 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCN(C)[C@@H](c2nc(C3CC3)no2)C1 ZINC000284561770 497829111 /nfs/dbraw/zinc/82/91/11/497829111.db2.gz GAEXMTXCAUMFMD-CXAGYDPISA-N 1 1 371.441 3.213 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000295903141 497847423 /nfs/dbraw/zinc/84/74/23/497847423.db2.gz DFNYCMVBSBEAPL-DOMZBBRYSA-N 1 1 360.414 3.189 20 5 FGBDMO Cc1c[nH+]cn1C1CCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000364364432 497920888 /nfs/dbraw/zinc/92/08/88/497920888.db2.gz UBSJFNGALKCHPE-AWEZNQCLSA-N 1 1 374.466 3.444 20 5 FGBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](CSC)C2)c([N+](=O)[O-])c1 ZINC000292274706 497949837 /nfs/dbraw/zinc/94/98/37/497949837.db2.gz BHDLLOPIHRKXKZ-CYBMUJFWSA-N 1 1 367.471 3.007 20 5 FGBDMO CC[N@@H+](C)Cc1cccc(CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)c1 ZINC000280998281 497981015 /nfs/dbraw/zinc/98/10/15/497981015.db2.gz PJWDITCZXPAJTN-UHFFFAOYSA-N 1 1 367.409 3.307 20 5 FGBDMO C[C@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000301267573 498030097 /nfs/dbraw/zinc/03/00/97/498030097.db2.gz PXWDJDYPISFZML-CYBMUJFWSA-N 1 1 367.409 3.176 20 5 FGBDMO O=C(CC[N@@H+]1CCOC[C@@H]1c1ccccc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000364628184 498057052 /nfs/dbraw/zinc/05/70/52/498057052.db2.gz FNFLFDDMPIWPCJ-GOSISDBHSA-N 1 1 373.384 3.136 20 5 FGBDMO O=C(CC[N@H+]1CCOC[C@@H]1c1ccccc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000364628184 498057057 /nfs/dbraw/zinc/05/70/57/498057057.db2.gz FNFLFDDMPIWPCJ-GOSISDBHSA-N 1 1 373.384 3.136 20 5 FGBDMO CCOC1CC2(C1)CC[N@@H+]([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C2 ZINC000285354727 498061349 /nfs/dbraw/zinc/06/13/49/498061349.db2.gz AZXQCHQOXYSHLD-XVTSOASTSA-N 1 1 361.442 3.121 20 5 FGBDMO CCOC1CC2(C1)CC[N@H+]([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C2 ZINC000285354727 498061351 /nfs/dbraw/zinc/06/13/51/498061351.db2.gz AZXQCHQOXYSHLD-XVTSOASTSA-N 1 1 361.442 3.121 20 5 FGBDMO CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289213811 498063425 /nfs/dbraw/zinc/06/34/25/498063425.db2.gz CCEHWLUYXIDWSD-NNQSOWQGSA-N 1 1 355.385 3.253 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@H]1c1ccnn1C ZINC000281255954 498075686 /nfs/dbraw/zinc/07/56/86/498075686.db2.gz DXPFRVNRJVKIEA-SFHVURJKSA-N 1 1 371.441 3.193 20 5 FGBDMO C[C@@H]1C[C@@H](N2CCCC2)C[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000285421997 498080117 /nfs/dbraw/zinc/08/01/17/498080117.db2.gz DSVYHFQFMARMCS-CRAIPNDOSA-N 1 1 370.453 3.351 20 5 FGBDMO C[C@@H]1C[C@@H](N2CCCC2)C[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000285421997 498080123 /nfs/dbraw/zinc/08/01/23/498080123.db2.gz DSVYHFQFMARMCS-CRAIPNDOSA-N 1 1 370.453 3.351 20 5 FGBDMO COc1cc(N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000301386514 498086447 /nfs/dbraw/zinc/08/64/47/498086447.db2.gz CRYBMVXYWGTIJY-RHSMWYFYSA-N 1 1 356.426 3.321 20 5 FGBDMO COc1cc(N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000301386515 498087369 /nfs/dbraw/zinc/08/73/69/498087369.db2.gz CRYBMVXYWGTIJY-WMLDXEAASA-N 1 1 356.426 3.321 20 5 FGBDMO COc1ccc(C[N@H+]2CCCN(c3ccc([N+](=O)[O-])c(C)n3)CC2)cc1 ZINC000301620227 498191741 /nfs/dbraw/zinc/19/17/41/498191741.db2.gz DUWHSDLALSNGBW-UHFFFAOYSA-N 1 1 356.426 3.019 20 5 FGBDMO Cc1nc(NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000301630555 498197003 /nfs/dbraw/zinc/19/70/03/498197003.db2.gz IVDIFMRNXQHQSS-IBGZPJMESA-N 1 1 369.469 3.089 20 5 FGBDMO Cc1nc(NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000301630555 498197009 /nfs/dbraw/zinc/19/70/09/498197009.db2.gz IVDIFMRNXQHQSS-IBGZPJMESA-N 1 1 369.469 3.089 20 5 FGBDMO Cc1nc(NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000301630555 498197017 /nfs/dbraw/zinc/19/70/17/498197017.db2.gz IVDIFMRNXQHQSS-IBGZPJMESA-N 1 1 369.469 3.089 20 5 FGBDMO CC[C@@H](Nc1ncccc1[N+](=O)[O-])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000301667381 498213460 /nfs/dbraw/zinc/21/34/60/498213460.db2.gz OYZLAYWBOBZDHA-AEFFLSMTSA-N 1 1 356.426 3.081 20 5 FGBDMO CC[C@@H](Nc1ncccc1[N+](=O)[O-])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000301667381 498213465 /nfs/dbraw/zinc/21/34/65/498213465.db2.gz OYZLAYWBOBZDHA-AEFFLSMTSA-N 1 1 356.426 3.081 20 5 FGBDMO CCO[C@@H](CC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000569727942 506002462 /nfs/dbraw/zinc/00/24/62/506002462.db2.gz RWYUJJKAVJDUGV-ROUUACIJSA-N 1 1 360.458 3.459 20 5 FGBDMO CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[N@H+]1C ZINC000331149588 498263463 /nfs/dbraw/zinc/26/34/63/498263463.db2.gz OCJKSETURBWBLY-CQSZACIVSA-N 1 1 359.348 3.026 20 5 FGBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3cccc([N+](=O)[O-])c3Cl)CC[C@H]21 ZINC000289784349 498291211 /nfs/dbraw/zinc/29/12/11/498291211.db2.gz TVMDIFUGHXBQMB-DGCLKSJQSA-N 1 1 352.822 3.196 20 5 FGBDMO CCOC(=O)c1ccnc(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000301848136 498292336 /nfs/dbraw/zinc/29/23/36/498292336.db2.gz VGYDDJFJNSSDLE-JKSUJKDBSA-N 1 1 370.409 3.024 20 5 FGBDMO COc1cc(N2CC[NH+](Cc3cccc(C)c3)CC2)c(F)cc1[N+](=O)[O-] ZINC000301860478 498297992 /nfs/dbraw/zinc/29/79/92/498297992.db2.gz KQMQAUDLNDKLQJ-UHFFFAOYSA-N 1 1 359.401 3.373 20 5 FGBDMO CC(C)(C)Oc1cc(N2CC[NH+](Cc3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000301881634 498310184 /nfs/dbraw/zinc/31/01/84/498310184.db2.gz MFQLXSUIQCNHHJ-UHFFFAOYSA-N 1 1 370.453 3.489 20 5 FGBDMO CC(C)[C@H]1C[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCCO1 ZINC000293234439 498315923 /nfs/dbraw/zinc/31/59/23/498315923.db2.gz SKQBUOZWWNEFJG-XJKSGUPXSA-N 1 1 360.414 3.453 20 5 FGBDMO Cc1cccc(NC2CCN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)[nH+]1 ZINC000361431513 498391900 /nfs/dbraw/zinc/39/19/00/498391900.db2.gz YOPLQNMRUMWSDU-UHFFFAOYSA-N 1 1 354.410 3.323 20 5 FGBDMO CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)Nc1ncc([N+](=O)[O-])cn1 ZINC000302177880 498430527 /nfs/dbraw/zinc/43/05/27/498430527.db2.gz XVFISSPQGQCDJP-KRWDZBQOSA-N 1 1 355.442 3.270 20 5 FGBDMO Cc1nc(Nc2cccc3c2CC[N@@H+](CC(C)(C)O)C3)ccc1[N+](=O)[O-] ZINC000302190033 498435160 /nfs/dbraw/zinc/43/51/60/498435160.db2.gz VHNHJXIIXVQTKC-UHFFFAOYSA-N 1 1 356.426 3.171 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC000286665521 498469860 /nfs/dbraw/zinc/46/98/60/498469860.db2.gz BCBHJIUSBNZEAI-INIZCTEOSA-N 1 1 350.802 3.470 20 5 FGBDMO C[C@H](NC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000297660071 498528058 /nfs/dbraw/zinc/52/80/58/498528058.db2.gz OIZJKYNNCXBKLF-HNNXBMFYSA-N 1 1 360.458 3.316 20 5 FGBDMO CC(C)c1nccn1[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000362781607 498552265 /nfs/dbraw/zinc/55/22/65/498552265.db2.gz OEUIBQYGZXYKLJ-MSOLQXFVSA-N 1 1 358.442 3.285 20 5 FGBDMO Cc1ccccc1NC(=O)CC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000572804501 506055093 /nfs/dbraw/zinc/05/50/93/506055093.db2.gz HBCMLTJBZXJYIX-UHFFFAOYSA-N 1 1 355.394 3.126 20 5 FGBDMO Cc1ccccc1NC(=O)CC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000572804501 506055095 /nfs/dbraw/zinc/05/50/95/506055095.db2.gz HBCMLTJBZXJYIX-UHFFFAOYSA-N 1 1 355.394 3.126 20 5 FGBDMO Cc1ccnc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1[N+](=O)[O-] ZINC000302794212 498576772 /nfs/dbraw/zinc/57/67/72/498576772.db2.gz NTDBJTNAALPSFH-KRWDZBQOSA-N 1 1 356.426 3.001 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1c(C)nn(-c2ccccn2)c1C ZINC000282603503 498577659 /nfs/dbraw/zinc/57/76/59/498577659.db2.gz HYRFDPJPFXYZEJ-UHFFFAOYSA-N 1 1 367.409 3.091 20 5 FGBDMO CCS[C@H]1CCCC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000303467306 498678549 /nfs/dbraw/zinc/67/85/49/498678549.db2.gz PQLJTFHALPGTGH-DLBZAZTESA-N 1 1 363.483 3.308 20 5 FGBDMO CCS[C@@H]1CCCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000303467309 498678711 /nfs/dbraw/zinc/67/87/11/498678711.db2.gz PQLJTFHALPGTGH-SJORKVTESA-N 1 1 363.483 3.308 20 5 FGBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000579017188 506075266 /nfs/dbraw/zinc/07/52/66/506075266.db2.gz NGDPUASPWPXASO-MJGOQNOKSA-N 1 1 365.433 3.156 20 5 FGBDMO CCOC1(C)CC[NH+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000298332140 498734603 /nfs/dbraw/zinc/73/46/03/498734603.db2.gz ROKRJBPPZGTTMJ-UHFFFAOYSA-N 1 1 355.822 3.078 20 5 FGBDMO CCN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000366142755 498794705 /nfs/dbraw/zinc/79/47/05/498794705.db2.gz HEJXOPDFMSQFLH-YJBOKZPZSA-N 1 1 368.437 3.287 20 5 FGBDMO C[C@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000323768494 498822465 /nfs/dbraw/zinc/82/24/65/498822465.db2.gz YMTCYFGRKWTZHS-OAHLLOKOSA-N 1 1 371.412 3.328 20 5 FGBDMO Cc1ccc([C@H](C)N[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000366299042 498864949 /nfs/dbraw/zinc/86/49/49/498864949.db2.gz LVGWMMVTPQNSCM-RNIPGJKVSA-N 1 1 361.486 3.443 20 5 FGBDMO Cc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000366299042 498864955 /nfs/dbraw/zinc/86/49/55/498864955.db2.gz LVGWMMVTPQNSCM-RNIPGJKVSA-N 1 1 361.486 3.443 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+](C)C[C@@H](O)C(F)(F)F)o2)c([N+](=O)[O-])c1 ZINC000576261747 506115943 /nfs/dbraw/zinc/11/59/43/506115943.db2.gz GZACNRVETITVPC-OAHLLOKOSA-N 1 1 374.315 3.218 20 5 FGBDMO COc1ccc(-c2ccc(C[N@@H+](C)C[C@@H](O)C(F)(F)F)o2)c([N+](=O)[O-])c1 ZINC000576261747 506115946 /nfs/dbraw/zinc/11/59/46/506115946.db2.gz GZACNRVETITVPC-OAHLLOKOSA-N 1 1 374.315 3.218 20 5 FGBDMO Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000363693631 498947008 /nfs/dbraw/zinc/94/70/08/498947008.db2.gz AQJFHXDMKOTMAR-RHSMWYFYSA-N 1 1 364.833 3.070 20 5 FGBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000299343287 499030010 /nfs/dbraw/zinc/03/00/10/499030010.db2.gz FGOCOAZXSJCNMH-HUUCEWRRSA-N 1 1 365.499 3.312 20 5 FGBDMO COc1ccc([C@H](C[NH+](C)C)N[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000284070239 499042864 /nfs/dbraw/zinc/04/28/64/499042864.db2.gz NBDXWGOXTLDQBX-ACJLOTCBSA-N 1 1 358.442 3.139 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000363961713 499068031 /nfs/dbraw/zinc/06/80/31/499068031.db2.gz JBZFNIVKGQMXJM-AEFFLSMTSA-N 1 1 358.442 3.197 20 5 FGBDMO COc1cc(OC)c(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c(OC)c1 ZINC000284303299 499086136 /nfs/dbraw/zinc/08/61/36/499086136.db2.gz YTLZRVADOZCHDA-NSHDSACASA-N 1 1 361.398 3.054 20 5 FGBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CCN(c2ccc(Cl)cc2)CC1 ZINC000369997945 499163698 /nfs/dbraw/zinc/16/36/98/499163698.db2.gz QBLBMKYYCXHOBX-UHFFFAOYSA-N 1 1 363.849 3.046 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](OCc2csc(C)n2)C1 ZINC000367304605 499177098 /nfs/dbraw/zinc/17/70/98/499177098.db2.gz FEVZASUQEJAAAU-MRXNPFEDSA-N 1 1 363.439 3.159 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](OCc2csc(C)n2)C1 ZINC000367304605 499177100 /nfs/dbraw/zinc/17/71/00/499177100.db2.gz FEVZASUQEJAAAU-MRXNPFEDSA-N 1 1 363.439 3.159 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cc1[N+](=O)[O-] ZINC000370120456 499183242 /nfs/dbraw/zinc/18/32/42/499183242.db2.gz NXFGUSFOPSVXKW-DKIMLUQUSA-N 1 1 372.469 3.090 20 5 FGBDMO Cc1cc(C2=CC[N@H+](Cc3cnc([C@@H](C)O)s3)CC2)cc([N+](=O)[O-])c1N ZINC000367377377 499191581 /nfs/dbraw/zinc/19/15/81/499191581.db2.gz JTUDXQKJBBGQSH-GFCCVEGCSA-N 1 1 374.466 3.285 20 5 FGBDMO Cc1cc(C2=CC[N@@H+](Cc3cnc([C@@H](C)O)s3)CC2)cc([N+](=O)[O-])c1N ZINC000367377377 499191584 /nfs/dbraw/zinc/19/15/84/499191584.db2.gz JTUDXQKJBBGQSH-GFCCVEGCSA-N 1 1 374.466 3.285 20 5 FGBDMO C[N@H+]1CC[C@@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H]1c1cccs1 ZINC000370327963 499209990 /nfs/dbraw/zinc/20/99/90/499209990.db2.gz XPPVSQIWYFSSSB-HNAYVOBHSA-N 1 1 373.478 3.398 20 5 FGBDMO Cc1[nH+]c(CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c2n1CCCC2 ZINC000367673048 499223430 /nfs/dbraw/zinc/22/34/30/499223430.db2.gz QBMOSAVQIHAEKP-UHFFFAOYSA-N 1 1 357.414 3.375 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3CCc4[nH]cnc4C3)cs2)c1 ZINC000368087662 499262832 /nfs/dbraw/zinc/26/28/32/499262832.db2.gz BVPIRFWPOPEVFL-LBPRGKRZSA-N 1 1 355.423 3.089 20 5 FGBDMO CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000370877154 499265833 /nfs/dbraw/zinc/26/58/33/499265833.db2.gz RASILVHPPRGZAB-INIZCTEOSA-N 1 1 356.426 3.321 20 5 FGBDMO C[C@@H]1CCC[N@H+]1C1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000371140835 499292802 /nfs/dbraw/zinc/29/28/02/499292802.db2.gz ZMVHVHPFHNPCRX-CQSZACIVSA-N 1 1 370.453 3.094 20 5 FGBDMO Cc1ccc(NC2CC[NH+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)cc1 ZINC000368909066 499345383 /nfs/dbraw/zinc/34/53/83/499345383.db2.gz GTAHLEQZROKMTA-UHFFFAOYSA-N 1 1 368.437 3.079 20 5 FGBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000371707365 499357530 /nfs/dbraw/zinc/35/75/30/499357530.db2.gz NYZNZCHRHTYIEQ-CYBMUJFWSA-N 1 1 369.874 3.037 20 5 FGBDMO COc1cc(C[N@@H+]2CCC[C@H](OC)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000371737699 499360322 /nfs/dbraw/zinc/36/03/22/499360322.db2.gz WNXCSAHPHDKIBR-LBPRGKRZSA-N 1 1 360.357 3.206 20 5 FGBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(c3ccccn3)CC2)c2c(c1)COCO2 ZINC000372215036 499409991 /nfs/dbraw/zinc/40/99/91/499409991.db2.gz BOIQGCHDSORPCB-UHFFFAOYSA-N 1 1 355.394 3.236 20 5 FGBDMO COc1cc(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cc([N+](=O)[O-])c1C ZINC000582156663 506145995 /nfs/dbraw/zinc/14/59/95/506145995.db2.gz HIIUDXFCGOFLQP-UHFFFAOYSA-N 1 1 363.458 3.104 20 5 FGBDMO CSc1cccc(C(=O)N2CCC([N@H+]3CCC[C@H]3C)CC2)c1[N+](=O)[O-] ZINC000372379460 499426356 /nfs/dbraw/zinc/42/63/56/499426356.db2.gz YYTZEHATIPPTTG-CYBMUJFWSA-N 1 1 363.483 3.406 20 5 FGBDMO C[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H]1c1cccnc1 ZINC000369659037 499432828 /nfs/dbraw/zinc/43/28/28/499432828.db2.gz ZAXIZFUDXIRABR-GUYCJALGSA-N 1 1 374.828 3.066 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC(c4ccccn4)CC3)n2)c1 ZINC000378265724 499496103 /nfs/dbraw/zinc/49/61/03/499496103.db2.gz VYPILZWAORZZHW-UHFFFAOYSA-N 1 1 365.393 3.419 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(n3c[nH+]cc3C)CC2)c1 ZINC000375369747 499511154 /nfs/dbraw/zinc/51/11/54/499511154.db2.gz YGDDOKBJPSUEFK-UHFFFAOYSA-N 1 1 360.439 3.299 20 5 FGBDMO C[N@H+]1CC[C@H]2CCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]21 ZINC000378479312 499522333 /nfs/dbraw/zinc/52/23/33/499522333.db2.gz XDHMFURJYSGDEZ-GUYCJALGSA-N 1 1 358.467 3.244 20 5 FGBDMO CNc1ccc(C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000379694509 499542957 /nfs/dbraw/zinc/54/29/57/499542957.db2.gz TTWVJVMOCZPFGQ-OAHLLOKOSA-N 1 1 370.453 3.277 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000397958655 499565148 /nfs/dbraw/zinc/56/51/48/499565148.db2.gz CQVUZCWEWNRPFH-PBHICJAKSA-N 1 1 365.437 3.216 20 5 FGBDMO CC(=O)c1cc(N[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000376174793 499588713 /nfs/dbraw/zinc/58/87/13/499588713.db2.gz UMGACAINKMDBMC-QANKJYHBSA-N 1 1 361.442 3.099 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2C)cc1F ZINC000409452226 499598084 /nfs/dbraw/zinc/59/80/84/499598084.db2.gz GMOPSJAMDXDMSG-UHFFFAOYSA-N 1 1 368.368 3.466 20 5 FGBDMO O=C(CC[N@H+](Cc1ccco1)C[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000410024531 499636863 /nfs/dbraw/zinc/63/68/63/499636863.db2.gz DWFJTQSHRXZHDE-INIZCTEOSA-N 1 1 373.409 3.198 20 5 FGBDMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411123920 499700303 /nfs/dbraw/zinc/70/03/03/499700303.db2.gz FZEFZTGWFKXTGJ-YZGWKJHDSA-N 1 1 365.433 3.089 20 5 FGBDMO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000411140150 499702046 /nfs/dbraw/zinc/70/20/46/499702046.db2.gz ZRABWYDTDSSBTB-VQTJNVASSA-N 1 1 365.433 3.043 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@](O)(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000377716896 499724677 /nfs/dbraw/zinc/72/46/77/499724677.db2.gz GQUZXXOXTRZUHK-IBGZPJMESA-N 1 1 371.393 3.377 20 5 FGBDMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411326538 499726284 /nfs/dbraw/zinc/72/62/84/499726284.db2.gz NFHFQYMVEWMGBF-CQSZACIVSA-N 1 1 357.410 3.192 20 5 FGBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@@H](C)CCSC)c([N+](=O)[O-])c1 ZINC000411376832 499731216 /nfs/dbraw/zinc/73/12/16/499731216.db2.gz UUTTXFWYEFGREH-LBPRGKRZSA-N 1 1 355.460 3.005 20 5 FGBDMO COc1ccc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C(C)C)cc1[N+](=O)[O-] ZINC000377791481 499734509 /nfs/dbraw/zinc/73/45/09/499734509.db2.gz FNEGBDQXYJNNBG-OAHLLOKOSA-N 1 1 372.425 3.228 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCO[C@H](C4CCC4)C3)o2)c1 ZINC000411853606 499797355 /nfs/dbraw/zinc/79/73/55/499797355.db2.gz SGURDAVQFQBXIC-SFHVURJKSA-N 1 1 357.410 3.293 20 5 FGBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000576446232 506160352 /nfs/dbraw/zinc/16/03/52/506160352.db2.gz WEHHOKUDMCHUHJ-UHFFFAOYSA-N 1 1 363.483 3.021 20 5 FGBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000412004363 499811960 /nfs/dbraw/zinc/81/19/60/499811960.db2.gz CWMRFEDBYOVTSC-RTBURBONSA-N 1 1 355.438 3.415 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000412307834 499843474 /nfs/dbraw/zinc/84/34/74/499843474.db2.gz IFYKJKYCDNVWTN-LJQANCHMSA-N 1 1 373.497 3.498 20 5 FGBDMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000412343605 499846775 /nfs/dbraw/zinc/84/67/75/499846775.db2.gz WETPWKYNBKADTR-VQTJNVASSA-N 1 1 365.433 3.041 20 5 FGBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ncc([N+](=O)[O-])cc1F ZINC000413169329 499921816 /nfs/dbraw/zinc/92/18/16/499921816.db2.gz MKGFIKLYIGHQME-INIZCTEOSA-N 1 1 358.417 3.477 20 5 FGBDMO O=[N+]([O-])c1cnc(N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(F)c1 ZINC000413282370 499936844 /nfs/dbraw/zinc/93/68/44/499936844.db2.gz PKQSRJMNZVTMNR-LJQANCHMSA-N 1 1 356.401 3.231 20 5 FGBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)c1 ZINC000429120100 500006751 /nfs/dbraw/zinc/00/67/51/500006751.db2.gz CJIKLPZEXVFDKC-HNNXBMFYSA-N 1 1 352.847 3.311 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425071803 500011358 /nfs/dbraw/zinc/01/13/58/500011358.db2.gz ZXZCTBUFTNHBMV-XJKSGUPXSA-N 1 1 363.483 3.262 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000429215634 500024752 /nfs/dbraw/zinc/02/47/52/500024752.db2.gz QIBSIZKUUBLUOT-GFCCVEGCSA-N 1 1 374.268 3.450 20 5 FGBDMO CN(Cc1ccccc1F)C(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429228557 500027512 /nfs/dbraw/zinc/02/75/12/500027512.db2.gz TUXVWJBMYVQKFL-UHFFFAOYSA-N 1 1 359.401 3.217 20 5 FGBDMO CC[C@](C)(C(=O)OC)[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)CC1CC1 ZINC000425347776 500079913 /nfs/dbraw/zinc/07/99/13/500079913.db2.gz MDTBNHJMTOFZAO-GOSISDBHSA-N 1 1 350.415 3.157 20 5 FGBDMO CC[C@](C)(C(=O)OC)[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)CC1CC1 ZINC000425347776 500079916 /nfs/dbraw/zinc/07/99/16/500079916.db2.gz MDTBNHJMTOFZAO-GOSISDBHSA-N 1 1 350.415 3.157 20 5 FGBDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425439689 500107042 /nfs/dbraw/zinc/10/70/42/500107042.db2.gz FNECPEONNCUPSX-SUNKGSAMSA-N 1 1 357.248 3.339 20 5 FGBDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425439689 500107045 /nfs/dbraw/zinc/10/70/45/500107045.db2.gz FNECPEONNCUPSX-SUNKGSAMSA-N 1 1 357.248 3.339 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000425466072 500113580 /nfs/dbraw/zinc/11/35/80/500113580.db2.gz ASLCKONBPCMVOD-TYNCELHUSA-N 1 1 369.259 3.340 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000425466072 500113582 /nfs/dbraw/zinc/11/35/82/500113582.db2.gz ASLCKONBPCMVOD-TYNCELHUSA-N 1 1 369.259 3.340 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCC[C@H](CCO)CC1 ZINC000425478427 500118333 /nfs/dbraw/zinc/11/83/33/500118333.db2.gz PCQGWUYUNVWTBB-LBPRGKRZSA-N 1 1 357.248 3.342 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@H](CCO)CC1 ZINC000425478427 500118336 /nfs/dbraw/zinc/11/83/36/500118336.db2.gz PCQGWUYUNVWTBB-LBPRGKRZSA-N 1 1 357.248 3.342 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC000421794007 500152692 /nfs/dbraw/zinc/15/26/92/500152692.db2.gz ZKACBXKDLQWYCV-MSOLQXFVSA-N 1 1 353.422 3.039 20 5 FGBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H](C)C1 ZINC000430147209 500200243 /nfs/dbraw/zinc/20/02/43/500200243.db2.gz KQIXONUHWPJBMN-IOASZLSFSA-N 1 1 369.412 3.358 20 5 FGBDMO C[C@@H]1C[C@]2(CCO1)C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@H](C)O2 ZINC000430253310 500215675 /nfs/dbraw/zinc/21/56/75/500215675.db2.gz IIHMRFQNFSGKGO-JTDSTZFVSA-N 1 1 364.442 3.022 20 5 FGBDMO CC[N@@H+](CCNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)CCC(F)(F)F ZINC000573417345 506189888 /nfs/dbraw/zinc/18/98/88/506189888.db2.gz GJAVIHUFEVMQAF-GFCCVEGCSA-N 1 1 361.364 3.089 20 5 FGBDMO CC(C)(C)c1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2ccncc2)cc1[N+](=O)[O-] ZINC000423972956 500427202 /nfs/dbraw/zinc/42/72/02/500427202.db2.gz PZTRBXVJMCDZFI-GOSISDBHSA-N 1 1 368.437 3.074 20 5 FGBDMO COc1ccc([C@H](C[NH3+])CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000420368939 500449242 /nfs/dbraw/zinc/44/92/42/500449242.db2.gz XAOIDILAYREJPQ-QGZVFWFLSA-N 1 1 355.438 3.310 20 5 FGBDMO CCN1CCN(C[C@@H](C)C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433115478 500629473 /nfs/dbraw/zinc/62/94/73/500629473.db2.gz IIWBAQMTUZXCDJ-JXFKEZNVSA-N 1 1 374.529 3.180 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@H](Oc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000570628882 506207893 /nfs/dbraw/zinc/20/78/93/506207893.db2.gz LAOJTOUSOIEUAH-KRWDZBQOSA-N 1 1 369.421 3.385 20 5 FGBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000447693976 500647278 /nfs/dbraw/zinc/64/72/78/500647278.db2.gz OVEMGBVTCLSFDD-ZFWWWQNUSA-N 1 1 351.410 3.140 20 5 FGBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCCCCn1cc[nH+]c1C ZINC000447813313 500668481 /nfs/dbraw/zinc/66/84/81/500668481.db2.gz VKDCIKCCRDDCOZ-UHFFFAOYSA-N 1 1 366.805 3.432 20 5 FGBDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000443337751 500712496 /nfs/dbraw/zinc/71/24/96/500712496.db2.gz CTQOWOBOAYZIPX-JKIFEVAISA-N 1 1 359.426 3.274 20 5 FGBDMO COc1cc(C[NH2+]Cc2ccccc2N(C)C(C)C)c([N+](=O)[O-])cc1O ZINC000438344246 500773952 /nfs/dbraw/zinc/77/39/52/500773952.db2.gz GQRNDGJNMHVZFB-UHFFFAOYSA-N 1 1 359.426 3.443 20 5 FGBDMO C[C@]1(c2ccccc2)CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000438494189 500792983 /nfs/dbraw/zinc/79/29/83/500792983.db2.gz SHVFTRHPIIGFFU-FPOVZHCZSA-N 1 1 365.433 3.364 20 5 FGBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000448784585 500833439 /nfs/dbraw/zinc/83/34/39/500833439.db2.gz XDSUQHRZBQPOIP-NWDGAFQWSA-N 1 1 373.375 3.464 20 5 FGBDMO CCOC(=O)CC1([NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCCC1 ZINC000434616208 500866229 /nfs/dbraw/zinc/86/62/29/500866229.db2.gz PCMUPCYBBWNXHE-UHFFFAOYSA-N 1 1 374.397 3.000 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000444924847 500922139 /nfs/dbraw/zinc/92/21/39/500922139.db2.gz RGKNNGJHEWUOBD-ZDUSSCGKSA-N 1 1 364.446 3.235 20 5 FGBDMO CS[C@@H]1CN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C[C@@H]1[NH+]1CCCC1 ZINC000445606574 501009928 /nfs/dbraw/zinc/00/99/28/501009928.db2.gz DFBRWBCTPSKVJZ-RBUKOAKNSA-N 1 1 372.494 3.467 20 5 FGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@](C)(NCC(=O)OC(C)(C)C)C1 ZINC000440522593 501018468 /nfs/dbraw/zinc/01/84/68/501018468.db2.gz OQUNLHMTAGXWKY-KUHUBIRLSA-N 1 1 363.458 3.052 20 5 FGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@](C)(NCC(=O)OC(C)(C)C)C1 ZINC000440522593 501018470 /nfs/dbraw/zinc/01/84/70/501018470.db2.gz OQUNLHMTAGXWKY-KUHUBIRLSA-N 1 1 363.458 3.052 20 5 FGBDMO COc1cc(CNC[C@H]2CCC[N@H+]2C2CCCCC2)c([N+](=O)[O-])cc1O ZINC000435744589 501021540 /nfs/dbraw/zinc/02/15/40/501021540.db2.gz XSHFXIPJOBMICX-MRXNPFEDSA-N 1 1 363.458 3.196 20 5 FGBDMO Cc1cc(C)c(C(=O)NC2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)o1 ZINC000598927864 506230504 /nfs/dbraw/zinc/23/05/04/506230504.db2.gz UBJIPODSGGOUQZ-UHFFFAOYSA-N 1 1 357.410 3.199 20 5 FGBDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(=O)N1c2ccccc2C[C@@H]1C ZINC000449644513 501048430 /nfs/dbraw/zinc/04/84/30/501048430.db2.gz FLSGHHFDFHLEST-STQMWFEESA-N 1 1 357.385 3.190 20 5 FGBDMO COC(=O)[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1c1ccccc1 ZINC000449754990 501076502 /nfs/dbraw/zinc/07/65/02/501076502.db2.gz LJUHACIZUWBQEI-IRXDYDNUSA-N 1 1 358.369 3.123 20 5 FGBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000582459639 506233567 /nfs/dbraw/zinc/23/35/67/506233567.db2.gz WGSPNACYSAWSMQ-NSHDSACASA-N 1 1 359.373 3.046 20 5 FGBDMO C[C@@H]1C[N@H+](CCCCNc2nccc3cc([N+](=O)[O-])ccc32)C[C@H](C)O1 ZINC000450378200 501105441 /nfs/dbraw/zinc/10/54/41/501105441.db2.gz MQQIOJALDLZXJH-GASCZTMLSA-N 1 1 358.442 3.444 20 5 FGBDMO COc1cc(C[NH2+]Cc2cnccc2C(F)(F)F)c([N+](=O)[O-])cc1O ZINC000596063172 506236616 /nfs/dbraw/zinc/23/66/16/506236616.db2.gz ULOZANDROQIIBZ-UHFFFAOYSA-N 1 1 357.288 3.013 20 5 FGBDMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000450024721 501157634 /nfs/dbraw/zinc/15/76/34/501157634.db2.gz QOUCXQSPFIUOKB-LBPRGKRZSA-N 1 1 359.348 3.170 20 5 FGBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000446849079 501173065 /nfs/dbraw/zinc/17/30/65/501173065.db2.gz LKXNBWRTDZJVIO-HOCLYGCPSA-N 1 1 365.437 3.396 20 5 FGBDMO C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000446849079 501173067 /nfs/dbraw/zinc/17/30/67/501173067.db2.gz LKXNBWRTDZJVIO-HOCLYGCPSA-N 1 1 365.437 3.396 20 5 FGBDMO CCOc1ccc(NC(=O)Cn2c[nH+]c3c2C[C@@H](C)[C@H](C)C3)c([N+](=O)[O-])c1 ZINC000450997756 501237683 /nfs/dbraw/zinc/23/76/83/501237683.db2.gz KMRHSQKUFDOPKF-CHWSQXEVSA-N 1 1 372.425 3.200 20 5 FGBDMO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000451182246 501250546 /nfs/dbraw/zinc/25/05/46/501250546.db2.gz IRJPZWCTEBPGKV-LBTNJELSSA-N 1 1 353.422 3.460 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000451328811 501267090 /nfs/dbraw/zinc/26/70/90/501267090.db2.gz IVMSKRBULGUXSE-INIZCTEOSA-N 1 1 350.802 3.422 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000451328811 501267091 /nfs/dbraw/zinc/26/70/91/501267091.db2.gz IVMSKRBULGUXSE-INIZCTEOSA-N 1 1 350.802 3.422 20 5 FGBDMO COc1cc(C[N@@H+](Cc2cnn(C)c2)CC(C)C)c([N+](=O)[O-])cc1OC ZINC000453621477 501364318 /nfs/dbraw/zinc/36/43/18/501364318.db2.gz MYXCUMKFFJBYRO-UHFFFAOYSA-N 1 1 362.430 3.004 20 5 FGBDMO COc1cc(C[N@H+](Cc2cnn(C)c2)CC(C)C)c([N+](=O)[O-])cc1OC ZINC000453621477 501364321 /nfs/dbraw/zinc/36/43/21/501364321.db2.gz MYXCUMKFFJBYRO-UHFFFAOYSA-N 1 1 362.430 3.004 20 5 FGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451882326 501392579 /nfs/dbraw/zinc/39/25/79/501392579.db2.gz CBWHCEUSJYCFKY-XHDPSFHLSA-N 1 1 362.348 3.127 20 5 FGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451882326 501392580 /nfs/dbraw/zinc/39/25/80/501392580.db2.gz CBWHCEUSJYCFKY-XHDPSFHLSA-N 1 1 362.348 3.127 20 5 FGBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000451883468 501392591 /nfs/dbraw/zinc/39/25/91/501392591.db2.gz FDYXIAWNNMJDLZ-PELKAZGASA-N 1 1 372.265 3.359 20 5 FGBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000451883468 501392592 /nfs/dbraw/zinc/39/25/92/501392592.db2.gz FDYXIAWNNMJDLZ-PELKAZGASA-N 1 1 372.265 3.359 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451964300 501409673 /nfs/dbraw/zinc/40/96/73/501409673.db2.gz IWARIPALRJMJPN-GOSISDBHSA-N 1 1 363.483 3.451 20 5 FGBDMO COC(=O)c1c(Cl)c(NC[C@@H]2CC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000596091594 506251305 /nfs/dbraw/zinc/25/13/05/506251305.db2.gz AKKLHCKUXGQVMS-NSHDSACASA-N 1 1 355.822 3.177 20 5 FGBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602665274 506252867 /nfs/dbraw/zinc/25/28/67/506252867.db2.gz GMGOACCUECJHCL-SKDRFNHKSA-N 1 1 362.293 3.191 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000456344761 501504827 /nfs/dbraw/zinc/50/48/27/501504827.db2.gz RWGYCKJLNSSJRQ-MRXNPFEDSA-N 1 1 367.449 3.497 20 5 FGBDMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)c2csc([N+](=O)[O-])c2)CCC1 ZINC000452720489 501551448 /nfs/dbraw/zinc/55/14/48/501551448.db2.gz SRMPURNFDJWKOW-UHFFFAOYSA-N 1 1 359.451 3.441 20 5 FGBDMO O=[N+]([O-])c1sc(C[NH2+]C2(CF)CCOCC2)cc1Br ZINC000602682276 506260490 /nfs/dbraw/zinc/26/04/90/506260490.db2.gz WBMNJKDXJPKXAN-UHFFFAOYSA-N 1 1 353.213 3.027 20 5 FGBDMO O=[N+]([O-])c1cccc(Br)c1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000596106484 506261384 /nfs/dbraw/zinc/26/13/84/506261384.db2.gz AQZGDPMUSJFOAQ-SNVBAGLBSA-N 1 1 351.204 3.464 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000582506768 506262127 /nfs/dbraw/zinc/26/21/27/506262127.db2.gz RPTDALAAMBYSCE-BEFAXECRSA-N 1 1 353.422 3.296 20 5 FGBDMO O=[N+]([O-])c1ccc2c(c1)CN([C@@H]1CC[N@@H+](Cc3ccccc3)C1)CCO2 ZINC000459496373 501663914 /nfs/dbraw/zinc/66/39/14/501663914.db2.gz HAHGANKAGUPRHD-LJQANCHMSA-N 1 1 353.422 3.064 20 5 FGBDMO COc1cc(C[N@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)c([N+](=O)[O-])cc1F ZINC000459833237 501718848 /nfs/dbraw/zinc/71/88/48/501718848.db2.gz UVUDBOFOLVHQOD-LLVKDONJSA-N 1 1 356.394 3.152 20 5 FGBDMO COc1cc(C[N@@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)c([N+](=O)[O-])cc1F ZINC000459833237 501718850 /nfs/dbraw/zinc/71/88/50/501718850.db2.gz UVUDBOFOLVHQOD-LLVKDONJSA-N 1 1 356.394 3.152 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@](CO)(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000463450558 501727050 /nfs/dbraw/zinc/72/70/50/501727050.db2.gz TVSBNZNUQSGUTJ-NRFANRHFSA-N 1 1 370.449 3.421 20 5 FGBDMO CC[C@@H](CO)[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccccc1 ZINC000467182852 501729554 /nfs/dbraw/zinc/72/95/54/501729554.db2.gz UZYACKDCHKIUEW-KRWDZBQOSA-N 1 1 371.437 3.115 20 5 FGBDMO CC(=O)N[C@H](C)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000481589746 501825149 /nfs/dbraw/zinc/82/51/49/501825149.db2.gz VRKIWZPKTDEVQE-CQSZACIVSA-N 1 1 363.458 3.119 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474435781 501836355 /nfs/dbraw/zinc/83/63/55/501836355.db2.gz TXIGMJGPIHKWGI-MRXNPFEDSA-N 1 1 354.410 3.299 20 5 FGBDMO COc1cc(C[N@@H+]2CCC[C@](C)(OC)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000470907025 501850139 /nfs/dbraw/zinc/85/01/39/501850139.db2.gz QYYJGQQOZNUXIA-INIZCTEOSA-N 1 1 360.357 3.206 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@](C)(OC)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000470907025 501850141 /nfs/dbraw/zinc/85/01/41/501850141.db2.gz QYYJGQQOZNUXIA-INIZCTEOSA-N 1 1 360.357 3.206 20 5 FGBDMO COc1cc(C[N@@H+]2CCC[C@@](C)(OC)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000470923806 501857984 /nfs/dbraw/zinc/85/79/84/501857984.db2.gz PNCJRIBGJWLGRW-QGZVFWFLSA-N 1 1 374.384 3.248 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@@](C)(OC)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000470923806 501857987 /nfs/dbraw/zinc/85/79/87/501857987.db2.gz PNCJRIBGJWLGRW-QGZVFWFLSA-N 1 1 374.384 3.248 20 5 FGBDMO O=[N+]([O-])c1cccnc1N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000467792782 501875244 /nfs/dbraw/zinc/87/52/44/501875244.db2.gz KXOOSAJZPZSIEW-FQEVSTJZSA-N 1 1 352.438 3.482 20 5 FGBDMO CC(C)[C@H]1CN(C)CC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000471209718 501957258 /nfs/dbraw/zinc/95/72/58/501957258.db2.gz DVLTYZDZECWWPX-QGZVFWFLSA-N 1 1 358.442 3.064 20 5 FGBDMO CC(C)[C@H]1C[N@H+](C)CCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000471209718 501957260 /nfs/dbraw/zinc/95/72/60/501957260.db2.gz DVLTYZDZECWWPX-QGZVFWFLSA-N 1 1 358.442 3.064 20 5 FGBDMO CC(C)[C@H]1C[N@@H+](C)CCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000471209718 501957264 /nfs/dbraw/zinc/95/72/64/501957264.db2.gz DVLTYZDZECWWPX-QGZVFWFLSA-N 1 1 358.442 3.064 20 5 FGBDMO CC(C)[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cccc(Br)c1 ZINC000478440498 501983078 /nfs/dbraw/zinc/98/30/78/501983078.db2.gz ZEDVTUOQKBTCNC-UHFFFAOYSA-N 1 1 367.247 3.464 20 5 FGBDMO C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(N)c2F)[C@H]1c1ccc(F)c(F)c1 ZINC000485978186 502009065 /nfs/dbraw/zinc/00/90/65/502009065.db2.gz HPVOWVKHZHKPRK-CXAGYDPISA-N 1 1 366.343 3.452 20 5 FGBDMO C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(N)c2F)[C@H]1c1ccc(F)c(F)c1 ZINC000485978186 502009067 /nfs/dbraw/zinc/00/90/67/502009067.db2.gz HPVOWVKHZHKPRK-CXAGYDPISA-N 1 1 366.343 3.452 20 5 FGBDMO CCc1ccc([C@H]([NH2+]C[C@]2(OC)CCOC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000461090050 502010115 /nfs/dbraw/zinc/01/01/15/502010115.db2.gz YIXQEXKPUSOEME-RTBURBONSA-N 1 1 360.410 3.235 20 5 FGBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CCc1cccs1 ZINC000464762434 502084524 /nfs/dbraw/zinc/08/45/24/502084524.db2.gz VLESFBAMIBDICY-UHFFFAOYSA-N 1 1 361.423 3.129 20 5 FGBDMO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000482493097 502086984 /nfs/dbraw/zinc/08/69/84/502086984.db2.gz FIMYWWHRILZUPC-HOTGVXAUSA-N 1 1 364.442 3.261 20 5 FGBDMO CO[C@@]1(C)C[C@H]([N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000464818948 502105431 /nfs/dbraw/zinc/10/54/31/502105431.db2.gz ALVIKMAGOXUZPP-LPHOPBHVSA-N 1 1 363.458 3.367 20 5 FGBDMO CC[C@H](Nc1ncc(C)cc1[N+](=O)[O-])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000471698628 502111438 /nfs/dbraw/zinc/11/14/38/502111438.db2.gz RBVAJUGPJFFBSY-HKUYNNGSSA-N 1 1 370.453 3.390 20 5 FGBDMO CC[C@H](Nc1ncc(C)cc1[N+](=O)[O-])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000471698628 502111440 /nfs/dbraw/zinc/11/14/40/502111440.db2.gz RBVAJUGPJFFBSY-HKUYNNGSSA-N 1 1 370.453 3.390 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475301678 502125639 /nfs/dbraw/zinc/12/56/39/502125639.db2.gz JUBOGLHGOBPXNO-SFHVURJKSA-N 1 1 353.422 3.250 20 5 FGBDMO CCN1CC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C[C@H]1c1ncc[nH]1 ZINC000475349816 502144660 /nfs/dbraw/zinc/14/46/60/502144660.db2.gz OICFBIJBLLHVJV-RXBGNRNISA-N 1 1 355.442 3.100 20 5 FGBDMO CCN1CC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C[C@H]1c1ncc[nH]1 ZINC000475349816 502144662 /nfs/dbraw/zinc/14/46/62/502144662.db2.gz OICFBIJBLLHVJV-RXBGNRNISA-N 1 1 355.442 3.100 20 5 FGBDMO C[C@H]1CC[N@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)[C@H]1C ZINC000482850786 502197327 /nfs/dbraw/zinc/19/73/27/502197327.db2.gz ALNYFTUQCPOYQG-RYUDHWBXSA-N 1 1 360.439 3.387 20 5 FGBDMO C[C@H]1CC[N@@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)[C@H]1C ZINC000482850786 502197332 /nfs/dbraw/zinc/19/73/32/502197332.db2.gz ALNYFTUQCPOYQG-RYUDHWBXSA-N 1 1 360.439 3.387 20 5 FGBDMO CC(C)C[C@H]1CCC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000468870523 502212753 /nfs/dbraw/zinc/21/27/53/502212753.db2.gz GVZQVLBYLNVOEO-CYBMUJFWSA-N 1 1 363.414 3.020 20 5 FGBDMO CC(C)C[C@H]1CCC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000468870523 502212759 /nfs/dbraw/zinc/21/27/59/502212759.db2.gz GVZQVLBYLNVOEO-CYBMUJFWSA-N 1 1 363.414 3.020 20 5 FGBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000475663590 502247346 /nfs/dbraw/zinc/24/73/46/502247346.db2.gz XHIQKPAUTRVDHZ-HXUWFJFHSA-N 1 1 356.422 3.043 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@@H](C)c2cccc(O)c2)cc1[N+](=O)[O-] ZINC000475704537 502258892 /nfs/dbraw/zinc/25/88/92/502258892.db2.gz HKQWNIUVIXJDOJ-ZDUSSCGKSA-N 1 1 374.393 3.045 20 5 FGBDMO Cc1c(NC(=O)CC[N@@H+](CCCO)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000486801587 502267658 /nfs/dbraw/zinc/26/76/58/502267658.db2.gz MDRNQKXQBKGNDT-UHFFFAOYSA-N 1 1 371.437 3.116 20 5 FGBDMO O=C1[C@@H]([N@H+]2CC[C@@H](c3ccc(F)cc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000483102050 502271765 /nfs/dbraw/zinc/27/17/65/502271765.db2.gz WAPUDLCJJIGDCE-BEFAXECRSA-N 1 1 369.396 3.329 20 5 FGBDMO CC(C)(C)[C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000483259169 502331058 /nfs/dbraw/zinc/33/10/58/502331058.db2.gz WJJWAEULQNMSBE-CQSZACIVSA-N 1 1 354.472 3.127 20 5 FGBDMO CC(C)(C)[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000483259169 502331064 /nfs/dbraw/zinc/33/10/64/502331064.db2.gz WJJWAEULQNMSBE-CQSZACIVSA-N 1 1 354.472 3.127 20 5 FGBDMO Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000487030885 502335629 /nfs/dbraw/zinc/33/56/29/502335629.db2.gz SJIFDOBPDXMYQY-SFHVURJKSA-N 1 1 367.449 3.198 20 5 FGBDMO CCOc1cc(C[N@@H+]2CC(C)(C)O[C@@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000483350100 502359395 /nfs/dbraw/zinc/35/93/95/502359395.db2.gz DWGIAINNVAFVLC-IBGZPJMESA-N 1 1 364.442 3.154 20 5 FGBDMO CCOc1cc(C[N@H+]2CC(C)(C)O[C@@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000483350100 502359401 /nfs/dbraw/zinc/35/94/01/502359401.db2.gz DWGIAINNVAFVLC-IBGZPJMESA-N 1 1 364.442 3.154 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000462236647 502362876 /nfs/dbraw/zinc/36/28/76/502362876.db2.gz IDXKJQRNHNRSBT-RDTXWAMCSA-N 1 1 354.410 3.237 20 5 FGBDMO Cc1ccc([C@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)s2)cc1[N+](=O)[O-] ZINC000469329004 502377494 /nfs/dbraw/zinc/37/74/94/502377494.db2.gz SXGLBGOMPDTDOP-NSHDSACASA-N 1 1 354.453 3.219 20 5 FGBDMO CN(c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000462484255 502458320 /nfs/dbraw/zinc/45/83/20/502458320.db2.gz QSSUKHNVKRBPJV-KRWDZBQOSA-N 1 1 368.437 3.242 20 5 FGBDMO Cc1[nH+]cn(-c2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)c1C ZINC000462762459 502560646 /nfs/dbraw/zinc/56/06/46/502560646.db2.gz KAHSSIVZZVDGNK-UHFFFAOYSA-N 1 1 366.377 3.415 20 5 FGBDMO CCOCC[N@H+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@@H]1CC ZINC000462814385 502585101 /nfs/dbraw/zinc/58/51/01/502585101.db2.gz PPSRXZUSTZFEOL-ZDUSSCGKSA-N 1 1 373.400 3.133 20 5 FGBDMO CCc1nn(C)c(NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000480532622 502593511 /nfs/dbraw/zinc/59/35/11/502593511.db2.gz XLOIOJFANXIQCR-QGZVFWFLSA-N 1 1 357.458 3.213 20 5 FGBDMO Cc1c([C@@H](C)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000484181239 502594743 /nfs/dbraw/zinc/59/47/43/502594743.db2.gz VTNBRWZHDZGLTB-UTKZUKDTSA-N 1 1 369.465 3.191 20 5 FGBDMO Cc1c([C@@H](C)[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000484181239 502594748 /nfs/dbraw/zinc/59/47/48/502594748.db2.gz VTNBRWZHDZGLTB-UTKZUKDTSA-N 1 1 369.465 3.191 20 5 FGBDMO CCC1CCC([N@@H+](CCO)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000488166462 502644739 /nfs/dbraw/zinc/64/47/39/502644739.db2.gz JAFMGGIWVWWBBU-UHFFFAOYSA-N 1 1 374.441 3.408 20 5 FGBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000462986383 502650825 /nfs/dbraw/zinc/65/08/25/502650825.db2.gz FQJOUFSRENNMEZ-DLBZAZTESA-N 1 1 359.470 3.297 20 5 FGBDMO COc1ccc([C@@H](C)[N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000484562864 502671004 /nfs/dbraw/zinc/67/10/04/502671004.db2.gz BMFXLELELIMJJV-RHSMWYFYSA-N 1 1 360.410 3.036 20 5 FGBDMO COCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CC[C@@H](C)C1 ZINC000484856846 502756560 /nfs/dbraw/zinc/75/65/60/502756560.db2.gz JPUHVWHBTRPMCL-ZBFHGGJFSA-N 1 1 363.458 3.369 20 5 FGBDMO CC[N@H+](C[C@@H]1CCCO1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000488702849 502785747 /nfs/dbraw/zinc/78/57/47/502785747.db2.gz SDUAQDWNXBQYKM-YPMHNXCESA-N 1 1 355.822 3.076 20 5 FGBDMO CC[N@@H+](C[C@@H]1CCCO1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000488702849 502785750 /nfs/dbraw/zinc/78/57/50/502785750.db2.gz SDUAQDWNXBQYKM-YPMHNXCESA-N 1 1 355.822 3.076 20 5 FGBDMO Cc1ccc(NC(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000504894360 502819994 /nfs/dbraw/zinc/81/99/94/502819994.db2.gz ICSSYXPRKPVZHP-OAHLLOKOSA-N 1 1 368.437 3.472 20 5 FGBDMO COCC[N@@H+](C)CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000505053319 502845992 /nfs/dbraw/zinc/84/59/92/502845992.db2.gz DQSWZSDQTAAMEZ-LJQANCHMSA-N 1 1 371.437 3.034 20 5 FGBDMO COc1ccc2nc(C[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)sc2c1 ZINC000489008101 502858632 /nfs/dbraw/zinc/85/86/32/502858632.db2.gz HJFDAURRQXIFDX-UHFFFAOYSA-N 1 1 373.438 3.247 20 5 FGBDMO COCc1cc([N+](=O)[O-])ccc1NC[C@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000599139969 506340764 /nfs/dbraw/zinc/34/07/64/506340764.db2.gz QZQIELSSTPMQPS-GOSISDBHSA-N 1 1 371.437 3.436 20 5 FGBDMO Cn1cc(C[N@@H+]2CCc3ccc(O)cc3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000509576416 502939372 /nfs/dbraw/zinc/93/93/72/502939372.db2.gz VUONNLPQCGPZLK-UHFFFAOYSA-N 1 1 364.405 3.259 20 5 FGBDMO Cn1cc(C[N@H+]2CCc3ccc(O)cc3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000509576416 502939377 /nfs/dbraw/zinc/93/93/77/502939377.db2.gz VUONNLPQCGPZLK-UHFFFAOYSA-N 1 1 364.405 3.259 20 5 FGBDMO CC[C@H](NC(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000489449335 502961364 /nfs/dbraw/zinc/96/13/64/502961364.db2.gz NXPFVWUJOQQTAH-QGWWYQLQSA-N 1 1 374.485 3.418 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@H]2Cc2ccccc2)c1 ZINC000501781992 503079215 /nfs/dbraw/zinc/07/92/15/503079215.db2.gz WXEWIRSFCUFEMW-PKOBYXMFSA-N 1 1 356.422 3.042 20 5 FGBDMO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1C ZINC000501808302 503084755 /nfs/dbraw/zinc/08/47/55/503084755.db2.gz YGBJVTXAGQNUAJ-SFHVURJKSA-N 1 1 358.438 3.392 20 5 FGBDMO Cc1ccc(C)c(OC[C@@H](O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1C ZINC000501808302 503084759 /nfs/dbraw/zinc/08/47/59/503084759.db2.gz YGBJVTXAGQNUAJ-SFHVURJKSA-N 1 1 358.438 3.392 20 5 FGBDMO CC[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C)[N@H+]1CCc2ccccc2C1 ZINC000498039422 503093051 /nfs/dbraw/zinc/09/30/51/503093051.db2.gz VMVXQVNENMLAQA-GOSISDBHSA-N 1 1 367.449 3.470 20 5 FGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000490040290 503097732 /nfs/dbraw/zinc/09/77/32/503097732.db2.gz DPCBDZKYPZAWDH-YJBOKZPZSA-N 1 1 368.437 3.498 20 5 FGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000490040290 503097738 /nfs/dbraw/zinc/09/77/38/503097738.db2.gz DPCBDZKYPZAWDH-YJBOKZPZSA-N 1 1 368.437 3.498 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000514200499 503111200 /nfs/dbraw/zinc/11/12/00/503111200.db2.gz VSZXSZFUETXENJ-WCQYABFASA-N 1 1 371.384 3.141 20 5 FGBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514213067 503114021 /nfs/dbraw/zinc/11/40/21/503114021.db2.gz HZDOSTPPVCGMRI-CYBMUJFWSA-N 1 1 371.384 3.191 20 5 FGBDMO CCN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000501951774 503115406 /nfs/dbraw/zinc/11/54/06/503115406.db2.gz VYORNMALYDLXMG-NVXWUHKLSA-N 1 1 370.453 3.231 20 5 FGBDMO CC[N@@H+](CCOCCO)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000502337020 503181837 /nfs/dbraw/zinc/18/18/37/503181837.db2.gz DTNMDYYQJRSVJW-UHFFFAOYSA-N 1 1 350.440 3.154 20 5 FGBDMO COC(=O)C[C@](C)([NH2+]Cc1csc([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000510750625 503184934 /nfs/dbraw/zinc/18/49/34/503184934.db2.gz KOLSILYLPZUMDS-KRWDZBQOSA-N 1 1 364.423 3.233 20 5 FGBDMO CCc1cc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506962600 503201741 /nfs/dbraw/zinc/20/17/41/503201741.db2.gz WRQKVSCJQZWEKV-FUHWJXTLSA-N 1 1 367.453 3.075 20 5 FGBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000511126499 503262428 /nfs/dbraw/zinc/26/24/28/503262428.db2.gz QLMNSKNBEANVDT-IBGZPJMESA-N 1 1 353.422 3.089 20 5 FGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000511126499 503262433 /nfs/dbraw/zinc/26/24/33/503262433.db2.gz QLMNSKNBEANVDT-IBGZPJMESA-N 1 1 353.422 3.089 20 5 FGBDMO CCC[C@@H](C(=O)OCC)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000502880363 503296829 /nfs/dbraw/zinc/29/68/29/503296829.db2.gz DTESBSLRZQJPBP-KRWDZBQOSA-N 1 1 350.415 3.170 20 5 FGBDMO CC[N@@H+](CCNc1cc(OC)c([N+](=O)[O-])cc1F)CCC(F)(F)F ZINC000491582097 503320680 /nfs/dbraw/zinc/32/06/80/503320680.db2.gz UDLXQHLUQQSVLX-UHFFFAOYSA-N 1 1 353.316 3.429 20 5 FGBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000511599188 503352379 /nfs/dbraw/zinc/35/23/79/503352379.db2.gz NHSYQNOIXVKVRJ-GOSISDBHSA-N 1 1 374.485 3.043 20 5 FGBDMO CCOc1cc(C[N@@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)ccc1[N+](=O)[O-] ZINC000492582554 503375461 /nfs/dbraw/zinc/37/54/61/503375461.db2.gz LUVLQAWDUKHVPX-HZPDHXFCSA-N 1 1 366.483 3.480 20 5 FGBDMO C[C@@](CO)([NH2+]Cc1cc(F)ccc1OC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000602962771 506367929 /nfs/dbraw/zinc/36/79/29/506367929.db2.gz OWKFCFHVEXYIOA-KRWDZBQOSA-N 1 1 370.327 3.333 20 5 FGBDMO COc1cc(C[N@@H+](Cc2ccccc2)[C@@H](CO)C2CC2)ccc1[N+](=O)[O-] ZINC000492662845 503379767 /nfs/dbraw/zinc/37/97/67/503379767.db2.gz YQBBPSSAKCUKJD-IBGZPJMESA-N 1 1 356.422 3.377 20 5 FGBDMO CCCCCn1cc(C[NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])c(C)n1 ZINC000503270925 503381642 /nfs/dbraw/zinc/38/16/42/503381642.db2.gz MFPGEMBVUOTAIV-UHFFFAOYSA-N 1 1 362.430 3.294 20 5 FGBDMO CCOc1cc(CN2CC[N@@H+](C)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000492772058 503384150 /nfs/dbraw/zinc/38/41/50/503384150.db2.gz NFYJOKSFEZMDAO-IBGZPJMESA-N 1 1 355.438 3.482 20 5 FGBDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000499439790 503404893 /nfs/dbraw/zinc/40/48/93/503404893.db2.gz FKFGBBKMNWGEAF-UONOGXRCSA-N 1 1 359.451 3.391 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000499439790 503404897 /nfs/dbraw/zinc/40/48/97/503404897.db2.gz FKFGBBKMNWGEAF-UONOGXRCSA-N 1 1 359.451 3.391 20 5 FGBDMO NC(=O)c1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000511873653 503405386 /nfs/dbraw/zinc/40/53/86/503405386.db2.gz OXUBERXAGBHMNJ-GUDVDZBRSA-N 1 1 365.433 3.462 20 5 FGBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000499713094 503464255 /nfs/dbraw/zinc/46/42/55/503464255.db2.gz NLMRVDAPZPONBD-HUUCEWRRSA-N 1 1 365.499 3.456 20 5 FGBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000508339895 503478540 /nfs/dbraw/zinc/47/85/40/503478540.db2.gz ACJJSPTYPBYXTG-KGLIPLIRSA-N 1 1 360.458 3.019 20 5 FGBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1cccc2[nH]ccc21 ZINC000494078965 503484233 /nfs/dbraw/zinc/48/42/33/503484233.db2.gz MRFAGNIEBFNPEY-UHFFFAOYSA-N 1 1 364.405 3.097 20 5 FGBDMO NC(=O)c1ccc(C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000508617157 503529459 /nfs/dbraw/zinc/52/94/59/503529459.db2.gz YCILSCQOLZDYSF-HWKANZROSA-N 1 1 351.406 3.372 20 5 FGBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000500443017 503626176 /nfs/dbraw/zinc/62/61/76/503626176.db2.gz SGEXYCIXTDYMRZ-CABCVRRESA-N 1 1 371.412 3.469 20 5 FGBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000500443017 503626178 /nfs/dbraw/zinc/62/61/78/503626178.db2.gz SGEXYCIXTDYMRZ-CABCVRRESA-N 1 1 371.412 3.469 20 5 FGBDMO COc1ccc(-c2ccc(CN3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)o2)c([N+](=O)[O-])c1 ZINC000495092558 503666089 /nfs/dbraw/zinc/66/60/89/503666089.db2.gz WZWGCGUGYRXQPE-LIRRHRJNSA-N 1 1 371.437 3.389 20 5 FGBDMO COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]4CCN(C)C[C@@H]43)o2)c([N+](=O)[O-])c1 ZINC000495092558 503666098 /nfs/dbraw/zinc/66/60/98/503666098.db2.gz WZWGCGUGYRXQPE-LIRRHRJNSA-N 1 1 371.437 3.389 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+]3CC[C@@H]4CCN(C)C[C@@H]43)o2)c([N+](=O)[O-])c1 ZINC000495092558 503666106 /nfs/dbraw/zinc/66/61/06/503666106.db2.gz WZWGCGUGYRXQPE-LIRRHRJNSA-N 1 1 371.437 3.389 20 5 FGBDMO CCC[C@H](C)[C@@H]1CCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000543207181 503679616 /nfs/dbraw/zinc/67/96/16/503679616.db2.gz AIYGRTHLKVSLGS-YOEHRIQHSA-N 1 1 354.472 3.269 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1ccccc1)C[C@@H](C)O ZINC000532970225 503680857 /nfs/dbraw/zinc/68/08/57/503680857.db2.gz BYOLQZAFAMNILB-MRXNPFEDSA-N 1 1 371.437 3.115 20 5 FGBDMO CC[C@H](Cc1ccccc1)[N@@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000532974080 503683129 /nfs/dbraw/zinc/68/31/29/503683129.db2.gz OQJTUWXYLZRPSD-MRXNPFEDSA-N 1 1 371.437 3.495 20 5 FGBDMO CC[C@H](Cc1ccccc1)[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000532979131 503685753 /nfs/dbraw/zinc/68/57/53/503685753.db2.gz YIYWXZVUHVNIKL-GOSISDBHSA-N 1 1 367.449 3.437 20 5 FGBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ccncc1OC[C@@H]1CCOC1 ZINC000517246398 503692756 /nfs/dbraw/zinc/69/27/56/503692756.db2.gz UWAXOYLDSSRACB-KDOFPFPSSA-N 1 1 369.421 3.182 20 5 FGBDMO O=C([C@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1)N1CCCC1 ZINC000517438808 503746696 /nfs/dbraw/zinc/74/66/96/503746696.db2.gz LAGWUVMLKMJRFT-INIZCTEOSA-N 1 1 369.421 3.299 20 5 FGBDMO COCC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000533255282 503780119 /nfs/dbraw/zinc/78/01/19/503780119.db2.gz VAEWDUVCPWDSDC-HNNXBMFYSA-N 1 1 357.410 3.243 20 5 FGBDMO COCC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000533255282 503780124 /nfs/dbraw/zinc/78/01/24/503780124.db2.gz VAEWDUVCPWDSDC-HNNXBMFYSA-N 1 1 357.410 3.243 20 5 FGBDMO COc1ccccc1[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000533288448 503793847 /nfs/dbraw/zinc/79/38/47/503793847.db2.gz JIKVYHKXQYYIMK-HUUCEWRRSA-N 1 1 369.421 3.420 20 5 FGBDMO COc1ccccc1[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000533288448 503793851 /nfs/dbraw/zinc/79/38/51/503793851.db2.gz JIKVYHKXQYYIMK-HUUCEWRRSA-N 1 1 369.421 3.420 20 5 FGBDMO CC(C)n1cc([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000543503066 503794897 /nfs/dbraw/zinc/79/48/97/503794897.db2.gz LRRAOPFLLHRJHH-LLVKDONJSA-N 1 1 365.821 3.315 20 5 FGBDMO O=C1[C@H]([N@H+]2CC[C@@H](Cc3ccccc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000533292780 503795269 /nfs/dbraw/zinc/79/52/69/503795269.db2.gz VZRREVPNFGAFAP-FXAWDEMLSA-N 1 1 365.433 3.265 20 5 FGBDMO COc1ccc(C[NH+]2CCC([C@@](C)(O)C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000546639379 503818750 /nfs/dbraw/zinc/81/87/50/503818750.db2.gz ZTQYJPGBJAWQMC-OAHLLOKOSA-N 1 1 362.348 3.129 20 5 FGBDMO C[N@@H+]1CC=C(CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 ZINC000537244934 503855832 /nfs/dbraw/zinc/85/58/32/503855832.db2.gz TVLVDPNXZUBJPB-UHFFFAOYSA-N 1 1 367.405 3.379 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000537297862 503872828 /nfs/dbraw/zinc/87/28/28/503872828.db2.gz DVJJHGXUMMINBS-MRXNPFEDSA-N 1 1 363.458 3.053 20 5 FGBDMO COc1ccc(-c2ccc(CNCC3=CC[N@H+](C)CC3)o2)c([N+](=O)[O-])c1 ZINC000537342948 503884108 /nfs/dbraw/zinc/88/41/08/503884108.db2.gz IPZAEHPCLAZNJL-UHFFFAOYSA-N 1 1 357.410 3.215 20 5 FGBDMO COc1ccc(-c2ccc(CNCC3=CC[N@@H+](C)CC3)o2)c([N+](=O)[O-])c1 ZINC000537342948 503884110 /nfs/dbraw/zinc/88/41/10/503884110.db2.gz IPZAEHPCLAZNJL-UHFFFAOYSA-N 1 1 357.410 3.215 20 5 FGBDMO C[C@@H]1C[C@@H](CCNC(=O)c2ccc([N+](=O)[O-])cn2)C[N@H+]1Cc1ccccc1 ZINC000533574105 503893688 /nfs/dbraw/zinc/89/36/88/503893688.db2.gz ZCIQJYLFUIXZCL-NVXWUHKLSA-N 1 1 368.437 3.020 20 5 FGBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000533833816 503965912 /nfs/dbraw/zinc/96/59/12/503965912.db2.gz BVTVYAWXUHIYCF-UHFFFAOYSA-N 1 1 371.315 3.087 20 5 FGBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000518935530 504097809 /nfs/dbraw/zinc/09/78/09/504097809.db2.gz KWQGLFZEWCGKAT-ZDUSSCGKSA-N 1 1 351.422 3.364 20 5 FGBDMO CC(C)(C)[N@@H+]1CCCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000534300178 504101731 /nfs/dbraw/zinc/10/17/31/504101731.db2.gz PKQWNJJIKSGCHX-UHFFFAOYSA-N 1 1 357.252 3.063 20 5 FGBDMO CC(C)(C)[N@H+]1CCCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000534300178 504101734 /nfs/dbraw/zinc/10/17/34/504101734.db2.gz PKQWNJJIKSGCHX-UHFFFAOYSA-N 1 1 357.252 3.063 20 5 FGBDMO Cc1ncc(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c(=O)[nH]1 ZINC000544384655 504111302 /nfs/dbraw/zinc/11/13/02/504111302.db2.gz ASBSEVFVQLPLHC-SFHVURJKSA-N 1 1 350.378 3.278 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](c2cccc(C)c2)C1 ZINC000541386029 504112347 /nfs/dbraw/zinc/11/23/47/504112347.db2.gz AXMHHOBAEGAHCB-INIZCTEOSA-N 1 1 369.421 3.340 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](c2cccc(C)c2)C1 ZINC000541386029 504112351 /nfs/dbraw/zinc/11/23/51/504112351.db2.gz AXMHHOBAEGAHCB-INIZCTEOSA-N 1 1 369.421 3.340 20 5 FGBDMO Cn1cc(CN2CCC[N@H+](C(C)(C)C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000534348508 504119443 /nfs/dbraw/zinc/11/94/43/504119443.db2.gz LGGJJVGMYVMJHH-UHFFFAOYSA-N 1 1 371.485 3.302 20 5 FGBDMO CCC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CC[N@H+]1Cc1ccccc1 ZINC000538331420 504210141 /nfs/dbraw/zinc/21/01/41/504210141.db2.gz PIVBKTUUIXVJBM-KRWDZBQOSA-N 1 1 370.453 3.060 20 5 FGBDMO COc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000542001448 504330580 /nfs/dbraw/zinc/33/05/80/504330580.db2.gz IZVYBBCMQPDBTI-INIZCTEOSA-N 1 1 369.421 3.454 20 5 FGBDMO COc1cc(N2CC[C@H](n3c[nH+]c4c3CCCC4)C2)c([N+](=O)[O-])cc1F ZINC000548334371 504404236 /nfs/dbraw/zinc/40/42/36/504404236.db2.gz ZMWPMSXSJOLQGH-LBPRGKRZSA-N 1 1 360.389 3.269 20 5 FGBDMO Cc1ccc([C@H]2CCC[N@H+]2C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000542210781 504408105 /nfs/dbraw/zinc/40/81/05/504408105.db2.gz YUNOSCBRYUBYCB-ZWKOTPCHSA-N 1 1 356.422 3.480 20 5 FGBDMO COc1cc(C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)ccc1[N+](=O)[O-] ZINC000539330442 504533243 /nfs/dbraw/zinc/53/32/43/504533243.db2.gz PZHZOOCOYKQGKG-UHFFFAOYSA-N 1 1 369.421 3.492 20 5 FGBDMO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000542568758 504541762 /nfs/dbraw/zinc/54/17/62/504541762.db2.gz OJNLPOPZHAFJPK-GDBMZVCRSA-N 1 1 371.412 3.228 20 5 FGBDMO Cn1ccc([C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)c2ccc(F)cc2)n1 ZINC000539406901 504561210 /nfs/dbraw/zinc/56/12/10/504561210.db2.gz JGQHLWSNEWLWHD-LJQANCHMSA-N 1 1 354.385 3.389 20 5 FGBDMO COc1ccc(-c2ccc(CN[C@H]3C[N@@H+](C4CC4)C[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000532321896 504610291 /nfs/dbraw/zinc/61/02/91/504610291.db2.gz VARRLEXYQOWKDY-UGSOOPFHSA-N 1 1 371.437 3.436 20 5 FGBDMO COc1ccc(-c2ccc(CN[C@H]3C[N@H+](C4CC4)C[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000532321896 504610296 /nfs/dbraw/zinc/61/02/96/504610296.db2.gz VARRLEXYQOWKDY-UGSOOPFHSA-N 1 1 371.437 3.436 20 5 FGBDMO C[N@@H+](CCC(=O)N1CCc2sccc2C1)CCc1cccc([N+](=O)[O-])c1 ZINC000548934251 504626743 /nfs/dbraw/zinc/62/67/43/504626743.db2.gz XSANTBJFRCVXPG-UHFFFAOYSA-N 1 1 373.478 3.106 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])c(NCc2ccc(C[NH+]3CCOCC3)cc2)n1 ZINC000542864547 504640314 /nfs/dbraw/zinc/64/03/14/504640314.db2.gz AIPPFVPFQIRZPH-UHFFFAOYSA-N 1 1 356.426 3.051 20 5 FGBDMO C[N@@H+](CCCCc1ccccc1)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000532474148 504662964 /nfs/dbraw/zinc/66/29/64/504662964.db2.gz HAGTXDAZOALZJA-UHFFFAOYSA-N 1 1 367.449 3.439 20 5 FGBDMO COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1C ZINC000556239460 504825960 /nfs/dbraw/zinc/82/59/60/504825960.db2.gz ZHHIOZHEJVEJEO-YPMHNXCESA-N 1 1 373.409 3.248 20 5 FGBDMO C[C@@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000565439162 504887579 /nfs/dbraw/zinc/88/75/79/504887579.db2.gz DXJXLWZXZRZFEU-SNVBAGLBSA-N 1 1 362.257 3.183 20 5 FGBDMO C[C@@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000565439162 504887580 /nfs/dbraw/zinc/88/75/80/504887580.db2.gz DXJXLWZXZRZFEU-SNVBAGLBSA-N 1 1 362.257 3.183 20 5 FGBDMO O=C(Cn1c[nH+]c2c1CCCC2)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000562768959 504938981 /nfs/dbraw/zinc/93/89/81/504938981.db2.gz SDXLOSUZARDSJC-MRXNPFEDSA-N 1 1 368.437 3.076 20 5 FGBDMO C[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC[N@H+](C2CCC2)C1 ZINC000553527574 504941333 /nfs/dbraw/zinc/94/13/33/504941333.db2.gz KCXJFUCJWFLGLH-AWEZNQCLSA-N 1 1 363.483 3.020 20 5 FGBDMO C[N@@H+](CCCCc1ccccc1)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000550179774 504986707 /nfs/dbraw/zinc/98/67/07/504986707.db2.gz NCHWULKADQVNGT-UHFFFAOYSA-N 1 1 367.449 3.439 20 5 FGBDMO CC(C)CC[C@@](C)(O)C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000556872993 505002040 /nfs/dbraw/zinc/00/20/40/505002040.db2.gz SWLXJMBIQWUBSR-IEBWSBKVSA-N 1 1 360.458 3.195 20 5 FGBDMO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000554600128 505217528 /nfs/dbraw/zinc/21/75/28/505217528.db2.gz ZWDCLGRTPYEFDI-SFHVURJKSA-N 1 1 362.474 3.120 20 5 FGBDMO CN(C(=O)C[N@@H+]1CCc2ccccc2C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000560971775 505219338 /nfs/dbraw/zinc/21/93/38/505219338.db2.gz VYFNZCLNWWOZJU-UHFFFAOYSA-N 1 1 353.422 3.351 20 5 FGBDMO CN(C(=O)C[N@H+]1CCc2ccccc2C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000560971775 505219343 /nfs/dbraw/zinc/21/93/43/505219343.db2.gz VYFNZCLNWWOZJU-UHFFFAOYSA-N 1 1 353.422 3.351 20 5 FGBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000563727142 505222328 /nfs/dbraw/zinc/22/23/28/505222328.db2.gz ZRWHHAHEKZWMLF-JSGCOSHPSA-N 1 1 369.849 3.006 20 5 FGBDMO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000554835550 505276517 /nfs/dbraw/zinc/27/65/17/505276517.db2.gz UQGGHESNHBGPAF-GFCCVEGCSA-N 1 1 362.817 3.145 20 5 FGBDMO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000554835550 505276519 /nfs/dbraw/zinc/27/65/19/505276519.db2.gz UQGGHESNHBGPAF-GFCCVEGCSA-N 1 1 362.817 3.145 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000558095785 505306758 /nfs/dbraw/zinc/30/67/58/505306758.db2.gz HECDGEMHTYBGTQ-GOSISDBHSA-N 1 1 354.410 3.464 20 5 FGBDMO Cc1c(NC(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000558228418 505339479 /nfs/dbraw/zinc/33/94/79/505339479.db2.gz RRANFPSGBUIAEG-UHFFFAOYSA-N 1 1 354.410 3.251 20 5 FGBDMO Cc1ccc(NC(=O)N(C)CCC[N@@H+](C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000558230962 505339917 /nfs/dbraw/zinc/33/99/17/505339917.db2.gz DISXGBZAFLGIGX-UHFFFAOYSA-N 1 1 360.414 3.482 20 5 FGBDMO COc1ccc(OCC[N@@H+](C)Cc2ccccc2N(C)C)c([N+](=O)[O-])c1 ZINC000564157274 505341294 /nfs/dbraw/zinc/34/12/94/505341294.db2.gz NPXAVWKVKKCKBD-UHFFFAOYSA-N 1 1 359.426 3.180 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](c3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000567046334 505347106 /nfs/dbraw/zinc/34/71/06/505347106.db2.gz ZDAYFLRSVLDEME-GOEBONIOSA-N 1 1 354.410 3.115 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](c3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000567046334 505347109 /nfs/dbraw/zinc/34/71/09/505347109.db2.gz ZDAYFLRSVLDEME-GOEBONIOSA-N 1 1 354.410 3.115 20 5 FGBDMO O=C(NCc1c[nH+]c2n1CCCC2)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000552041590 505379417 /nfs/dbraw/zinc/37/94/17/505379417.db2.gz AEXVNPPPQAIRPC-UHFFFAOYSA-N 1 1 368.315 3.076 20 5 FGBDMO CC[C@H]1CN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000552161997 505418787 /nfs/dbraw/zinc/41/87/87/505418787.db2.gz AAJYNGIEFQQPGX-INIZCTEOSA-N 1 1 369.421 3.037 20 5 FGBDMO CC[C@H]1CN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000552161997 505418791 /nfs/dbraw/zinc/41/87/91/505418791.db2.gz AAJYNGIEFQQPGX-INIZCTEOSA-N 1 1 369.421 3.037 20 5 FGBDMO CC(C)CC[C@](C)(O)C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000552247297 505439745 /nfs/dbraw/zinc/43/97/45/505439745.db2.gz JFNKULVQWFMMIJ-MJGOQNOKSA-N 1 1 360.458 3.195 20 5 FGBDMO CC(C)CC[C@@](C)(O)C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000552247298 505440490 /nfs/dbraw/zinc/44/04/90/505440490.db2.gz JFNKULVQWFMMIJ-PKOBYXMFSA-N 1 1 360.458 3.195 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]CCCOC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000552247491 505440599 /nfs/dbraw/zinc/44/05/99/505440599.db2.gz RFOKGPJWOMMBID-SFHVURJKSA-N 1 1 358.442 3.357 20 5 FGBDMO Cn1ccnc1[C@H](NC[C@H]1[N@@H+](C)CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000552265363 505445221 /nfs/dbraw/zinc/44/52/21/505445221.db2.gz UXDMNFIZHCLHNQ-QZTJIDSGSA-N 1 1 371.485 3.128 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]CCC[C@@H]1CCCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000552276313 505448204 /nfs/dbraw/zinc/44/82/04/505448204.db2.gz SIAHVEZEANEWDJ-ZYSHUDEJSA-N 1 1 372.469 3.339 20 5 FGBDMO CC[C@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000555539119 505450107 /nfs/dbraw/zinc/45/01/07/505450107.db2.gz VXQVKOWRVLPBKX-GOSISDBHSA-N 1 1 370.453 3.034 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000558739803 505479278 /nfs/dbraw/zinc/47/92/78/505479278.db2.gz PEFHNWHVFBICFW-UHFFFAOYSA-N 1 1 357.410 3.107 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000558739803 505479281 /nfs/dbraw/zinc/47/92/81/505479281.db2.gz PEFHNWHVFBICFW-UHFFFAOYSA-N 1 1 357.410 3.107 20 5 FGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC3(C2)Oc2ccccc2O3)cc1 ZINC000588982473 506403760 /nfs/dbraw/zinc/40/37/60/506403760.db2.gz LJZZJCJLKGXADG-UHFFFAOYSA-N 1 1 356.378 3.237 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000596438959 506404268 /nfs/dbraw/zinc/40/42/68/506404268.db2.gz AUGZAKFWWMFUGI-NSHDSACASA-N 1 1 354.838 3.490 20 5 FGBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3cc(CO)ccc3F)CC2)cc1 ZINC000599304649 506405612 /nfs/dbraw/zinc/40/56/12/506405612.db2.gz ZTIZUNBBKCJEEF-UHFFFAOYSA-N 1 1 360.385 3.270 20 5 FGBDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000596461801 506418496 /nfs/dbraw/zinc/41/84/96/506418496.db2.gz LYXFXTSKABLBLU-MRXNPFEDSA-N 1 1 360.845 3.396 20 5 FGBDMO C[C@@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000593173631 506440163 /nfs/dbraw/zinc/44/01/63/506440163.db2.gz RSWMMBLNMSUDTA-OAHLLOKOSA-N 1 1 371.412 3.009 20 5 FGBDMO C[C@@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000593173631 506440166 /nfs/dbraw/zinc/44/01/66/506440166.db2.gz RSWMMBLNMSUDTA-OAHLLOKOSA-N 1 1 371.412 3.009 20 5 FGBDMO O=[N+]([O-])c1c(N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)ccc2ncccc21 ZINC000596514022 506442036 /nfs/dbraw/zinc/44/20/36/506442036.db2.gz FEKGLSZQWXAHSR-QZTJIDSGSA-N 1 1 368.437 3.198 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@@H+](C)CC(C)C ZINC000593204102 506462796 /nfs/dbraw/zinc/46/27/96/506462796.db2.gz TZAKPCQCWVRKCS-UHFFFAOYSA-N 1 1 353.488 3.415 20 5 FGBDMO O=C1[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCN1C1CCCCC1 ZINC000612189535 506477803 /nfs/dbraw/zinc/47/78/03/506477803.db2.gz DNFMGUMRTVUADY-INIZCTEOSA-N 1 1 351.834 3.271 20 5 FGBDMO C[C@@H]1C[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H](C)C1(F)F ZINC000599514628 506481630 /nfs/dbraw/zinc/48/16/30/506481630.db2.gz YPRQMZFQICDDNW-GHMZBOCLSA-N 1 1 352.341 3.368 20 5 FGBDMO COc1ccc(C[NH+]2CCN(c3cccc4[nH]ccc43)CC2)cc1[N+](=O)[O-] ZINC000599624365 506535031 /nfs/dbraw/zinc/53/50/31/506535031.db2.gz CXKRMXHHTPRKEC-UHFFFAOYSA-N 1 1 366.421 3.407 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1 ZINC000589516112 506575808 /nfs/dbraw/zinc/57/58/08/506575808.db2.gz CXDLDDYWPFFIHM-CABCVRRESA-N 1 1 362.426 3.020 20 5 FGBDMO CCC[N@@H+](CC)C[C@H](C)Nc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000589608539 506603014 /nfs/dbraw/zinc/60/30/14/506603014.db2.gz NXJJUCREVHFUOS-AWEZNQCLSA-N 1 1 350.463 3.265 20 5 FGBDMO CC(C)[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000603757543 506610868 /nfs/dbraw/zinc/61/08/68/506610868.db2.gz NINUCIJIYYEHEJ-KRWDZBQOSA-N 1 1 373.478 3.469 20 5 FGBDMO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccccc2OC)c([N+](=O)[O-])c1 ZINC000603782938 506617518 /nfs/dbraw/zinc/61/75/18/506617518.db2.gz JJFITTVKLSUANK-ZDUSSCGKSA-N 1 1 373.409 3.291 20 5 FGBDMO O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000593461425 506632055 /nfs/dbraw/zinc/63/20/55/506632055.db2.gz KHRSILCDJATFII-UHFFFAOYSA-N 1 1 364.405 3.171 20 5 FGBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])c4ccncc34)CC[C@@H]21 ZINC000599829190 506661569 /nfs/dbraw/zinc/66/15/69/506661569.db2.gz AUEDLIFCWTVVQT-DYVFJYSZSA-N 1 1 369.425 3.091 20 5 FGBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000603930600 506661718 /nfs/dbraw/zinc/66/17/18/506661718.db2.gz ZVDHAAIMYLYOGS-GASCZTMLSA-N 1 1 362.474 3.124 20 5 FGBDMO CC(C)(C)[N@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC1 ZINC000599830327 506663612 /nfs/dbraw/zinc/66/36/12/506663612.db2.gz QRWBXEUXTASVEJ-UHFFFAOYSA-N 1 1 371.441 3.481 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C[C@@H]1C ZINC000599830945 506664246 /nfs/dbraw/zinc/66/42/46/506664246.db2.gz GGNWUBIAMIDRRO-UONOGXRCSA-N 1 1 371.441 3.480 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCc2ccc(O)cc2CC1 ZINC000608866727 506730383 /nfs/dbraw/zinc/73/03/83/506730383.db2.gz YUOWWTAYLGUTIN-UHFFFAOYSA-N 1 1 369.421 3.038 20 5 FGBDMO COc1ccccc1C[NH+]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000609075609 506770602 /nfs/dbraw/zinc/77/06/02/506770602.db2.gz GTIHFJGXEYIZSU-INIZCTEOSA-N 1 1 355.438 3.482 20 5 FGBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1csc([N+](=O)[O-])c1 ZINC000604472141 506840863 /nfs/dbraw/zinc/84/08/63/506840863.db2.gz BZNVQBWBWXDUCT-OAHLLOKOSA-N 1 1 359.451 3.298 20 5 FGBDMO COc1cccc(C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC(C)C)c1 ZINC000604494616 506851575 /nfs/dbraw/zinc/85/15/75/506851575.db2.gz HUFOPGNVVRNXJJ-UHFFFAOYSA-N 1 1 371.437 3.361 20 5 FGBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000600228407 506859420 /nfs/dbraw/zinc/85/94/20/506859420.db2.gz LGPAAXJNFOTSAH-OAHLLOKOSA-N 1 1 356.426 3.213 20 5 FGBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000600228406 506859588 /nfs/dbraw/zinc/85/95/88/506859588.db2.gz LGPAAXJNFOTSAH-HNNXBMFYSA-N 1 1 356.426 3.213 20 5 FGBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000600230298 506861838 /nfs/dbraw/zinc/86/18/38/506861838.db2.gz QODHENFFLLICGJ-HNNXBMFYSA-N 1 1 361.442 3.130 20 5 FGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(OCC(F)(F)F)nn1 ZINC000593986466 506866731 /nfs/dbraw/zinc/86/67/31/506866731.db2.gz CEDVUTOCGUFDCC-UHFFFAOYSA-N 1 1 370.331 3.000 20 5 FGBDMO CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000609488887 506897212 /nfs/dbraw/zinc/89/72/12/506897212.db2.gz JIDXQFBJXFQUTP-IBGZPJMESA-N 1 1 353.422 3.265 20 5 FGBDMO C[C@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[N@@H+](C)Cc1ccccc1 ZINC000609529551 506909681 /nfs/dbraw/zinc/90/96/81/506909681.db2.gz UBWTWJQYQNJRJS-CQSZACIVSA-N 1 1 366.421 3.326 20 5 FGBDMO COc1cc(CN2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000613380894 507060298 /nfs/dbraw/zinc/06/02/98/507060298.db2.gz ZMRXBGZKRYWNGE-QGZVFWFLSA-N 1 1 373.428 3.449 20 5 FGBDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000591071286 507101019 /nfs/dbraw/zinc/10/10/19/507101019.db2.gz JRIDSAZLNVAZKB-OTWHNJEPSA-N 1 1 351.406 3.001 20 5 FGBDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000591071286 507101026 /nfs/dbraw/zinc/10/10/26/507101026.db2.gz JRIDSAZLNVAZKB-OTWHNJEPSA-N 1 1 351.406 3.001 20 5 FGBDMO C[C@@]12CCC[N@H+]1C[C@@H](c1noc(-c3ccc([N+](=O)[O-])cc3Cl)n1)OC2 ZINC000584020320 507106147 /nfs/dbraw/zinc/10/61/47/507106147.db2.gz XGQLRBRTZDEKHE-BBRMVZONSA-N 1 1 364.789 3.224 20 5 FGBDMO CC(C)[C@@H]1[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC12CCOCC2 ZINC000591266052 507175767 /nfs/dbraw/zinc/17/57/67/507175767.db2.gz SUOMCJVIMYNIJE-SFHVURJKSA-N 1 1 362.426 3.003 20 5 FGBDMO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c(Br)c1 ZINC000594604069 507207589 /nfs/dbraw/zinc/20/75/89/507207589.db2.gz XWUFJSVTNGFLBJ-STQMWFEESA-N 1 1 355.236 3.181 20 5 FGBDMO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c(Br)c1 ZINC000594604069 507207593 /nfs/dbraw/zinc/20/75/93/507207593.db2.gz XWUFJSVTNGFLBJ-STQMWFEESA-N 1 1 355.236 3.181 20 5 FGBDMO O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000600977203 507212572 /nfs/dbraw/zinc/21/25/72/507212572.db2.gz CJVOVRVPFLVPCH-UHFFFAOYSA-N 1 1 357.385 3.082 20 5 FGBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000610446053 507243174 /nfs/dbraw/zinc/24/31/74/507243174.db2.gz ONHZATFJMWMQTL-KRWDZBQOSA-N 1 1 367.449 3.260 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC([C@@H](O)C(F)(F)F)CC3)c2c1 ZINC000601130024 507271549 /nfs/dbraw/zinc/27/15/49/507271549.db2.gz CMQFKZSECSXCKD-OAHLLOKOSA-N 1 1 355.316 3.283 20 5 FGBDMO C[C@](CO)([NH2+]Cc1cc(O)cc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000601148921 507276713 /nfs/dbraw/zinc/27/67/13/507276713.db2.gz HNVQGDKLSATGFG-MRXNPFEDSA-N 1 1 370.327 3.317 20 5 FGBDMO C[C@@](CO)([NH2+]Cc1ccc(OC(F)F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000601149897 507277896 /nfs/dbraw/zinc/27/78/96/507277896.db2.gz RQQWKSUJBNLPDJ-KRWDZBQOSA-N 1 1 370.327 3.333 20 5 FGBDMO COc1ccc(Cl)cc1C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601150341 507279700 /nfs/dbraw/zinc/27/97/00/507279700.db2.gz WALYZOHUYBQNON-QGZVFWFLSA-N 1 1 350.802 3.254 20 5 FGBDMO Cc1[nH+]ccn1CCCCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601227948 507303720 /nfs/dbraw/zinc/30/37/20/507303720.db2.gz JPLWLWRSGBXKRZ-UHFFFAOYSA-N 1 1 356.426 3.118 20 5 FGBDMO Cc1sc(C(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000598195453 507307151 /nfs/dbraw/zinc/30/71/51/507307151.db2.gz NUARQGVHWZBQCM-INIZCTEOSA-N 1 1 373.478 3.354 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000594919289 507316039 /nfs/dbraw/zinc/31/60/39/507316039.db2.gz HHGSPTMRBGJAEZ-SFHVURJKSA-N 1 1 358.394 3.061 20 5 FGBDMO CC(C)(C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000598219460 507322982 /nfs/dbraw/zinc/32/29/82/507322982.db2.gz MCDGDAFRUOGPBX-INIZCTEOSA-N 1 1 359.470 3.396 20 5 FGBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000598221460 507324547 /nfs/dbraw/zinc/32/45/47/507324547.db2.gz VPGJYHXCMKLHSP-AWEZNQCLSA-N 1 1 363.483 3.210 20 5 FGBDMO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000598221905 507324806 /nfs/dbraw/zinc/32/48/06/507324806.db2.gz YHUDSGINSZYFNZ-ZDUSSCGKSA-N 1 1 351.834 3.385 20 5 FGBDMO CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])s1 ZINC000584420423 507334881 /nfs/dbraw/zinc/33/48/81/507334881.db2.gz IAESFKUGTMRIKK-CQSZACIVSA-N 1 1 366.464 3.227 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCN(C2CCCCC2)C1=O ZINC000595021811 507358388 /nfs/dbraw/zinc/35/83/88/507358388.db2.gz GDQPECLUGISZCS-SUMWQHHRSA-N 1 1 361.442 3.188 20 5 FGBDMO C[C@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000595050133 507368461 /nfs/dbraw/zinc/36/84/61/507368461.db2.gz PZGADHQNYBENRS-RDTXWAMCSA-N 1 1 351.410 3.206 20 5 FGBDMO CNC(=O)C[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)c1ccccc1 ZINC000595053684 507369798 /nfs/dbraw/zinc/36/97/98/507369798.db2.gz LAPFVSUMOVBOOS-DYVFJYSZSA-N 1 1 357.410 3.131 20 5 FGBDMO CN(C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000601573833 507391713 /nfs/dbraw/zinc/39/17/13/507391713.db2.gz FSBNEASKLZPFDH-JWTNVVGKSA-N 1 1 357.454 3.100 20 5 FGBDMO O=[N+]([O-])c1ncccc1N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000610808056 507397728 /nfs/dbraw/zinc/39/77/28/507397728.db2.gz YENNRJQWIPSLHT-QZTJIDSGSA-N 1 1 352.438 3.481 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601701953 507431768 /nfs/dbraw/zinc/43/17/68/507431768.db2.gz QVWLHPTXMQOTGJ-GDBMZVCRSA-N 1 1 371.412 3.232 20 5 FGBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000598466620 507437511 /nfs/dbraw/zinc/43/75/11/507437511.db2.gz QWDHHYQGLCPYMP-UHFFFAOYSA-N 1 1 372.263 3.208 20 5 FGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000595299619 507452600 /nfs/dbraw/zinc/45/26/00/507452600.db2.gz WJMWIEBMEDKXBS-HNNXBMFYSA-N 1 1 373.432 3.431 20 5 FGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000595299619 507452607 /nfs/dbraw/zinc/45/26/07/507452607.db2.gz WJMWIEBMEDKXBS-HNNXBMFYSA-N 1 1 373.432 3.431 20 5 FGBDMO Cc1noc(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1[N+](=O)[O-] ZINC000595333005 507464278 /nfs/dbraw/zinc/46/42/78/507464278.db2.gz MAMKNVRISNYHDM-FQEVSTJZSA-N 1 1 370.453 3.379 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000598508000 507465195 /nfs/dbraw/zinc/46/51/95/507465195.db2.gz AORRHVCRLGVNHN-KRWDZBQOSA-N 1 1 353.422 3.216 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000598508000 507465197 /nfs/dbraw/zinc/46/51/97/507465197.db2.gz AORRHVCRLGVNHN-KRWDZBQOSA-N 1 1 353.422 3.216 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595503800 507534067 /nfs/dbraw/zinc/53/40/67/507534067.db2.gz CDFXCMQBRQSXRU-KUHUBIRLSA-N 1 1 371.441 3.124 20 5 FGBDMO CC(C)C[N@H+](CCc1ccc(F)cc1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000611185021 507552621 /nfs/dbraw/zinc/55/26/21/507552621.db2.gz FUOKJUIBQYEOJG-UHFFFAOYSA-N 1 1 361.417 3.096 20 5 FGBDMO COCC[N@H+](Cc1ccccc1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611252082 507582386 /nfs/dbraw/zinc/58/23/86/507582386.db2.gz LCUYLIHLTBOQOJ-UHFFFAOYSA-N 1 1 358.394 3.015 20 5 FGBDMO COCC[N@@H+](Cc1ccccc1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611252082 507582392 /nfs/dbraw/zinc/58/23/92/507582392.db2.gz LCUYLIHLTBOQOJ-UHFFFAOYSA-N 1 1 358.394 3.015 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000592376505 507626519 /nfs/dbraw/zinc/62/65/19/507626519.db2.gz UWEAZNHGWUMDDX-QUCCMNQESA-N 1 1 369.465 3.429 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000592433611 507654988 /nfs/dbraw/zinc/65/49/88/507654988.db2.gz LSXFATLNDJOYHT-UONOGXRCSA-N 1 1 369.412 3.408 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c2c(c1)COCO2 ZINC000595791869 507688282 /nfs/dbraw/zinc/68/82/82/507688282.db2.gz XMLPNJPDKIEGLA-KSSFIOAISA-N 1 1 362.426 3.242 20 5 FGBDMO CC(C)NC(=O)[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000595852050 507714167 /nfs/dbraw/zinc/71/41/67/507714167.db2.gz XJCITRNMRDGTGD-HNNXBMFYSA-N 1 1 363.458 3.119 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC2CC1(c1ccccc1)C2 ZINC000595911081 507739141 /nfs/dbraw/zinc/73/91/41/507739141.db2.gz MBYGSRWXHRDTHX-UHFFFAOYSA-N 1 1 351.406 3.463 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC2CC1(c1ccccc1)C2 ZINC000595911081 507739145 /nfs/dbraw/zinc/73/91/45/507739145.db2.gz MBYGSRWXHRDTHX-UHFFFAOYSA-N 1 1 351.406 3.463 20 5 FGBDMO O=[N+]([O-])c1sccc1N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000588070524 507752007 /nfs/dbraw/zinc/75/20/07/507752007.db2.gz NNIXAZDWWWFZEL-KRWDZBQOSA-N 1 1 372.494 3.053 20 5 FGBDMO Cc1c([C@@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)cccc1[N+](=O)[O-] ZINC000822020672 607057991 /nfs/dbraw/zinc/05/79/91/607057991.db2.gz GPXRRYXFKBEIOJ-LLVKDONJSA-N 1 1 356.361 3.073 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000127379220 700760840 /nfs/dbraw/zinc/76/08/40/700760840.db2.gz FBYIYKMYGZYFSG-ZDUSSCGKSA-N 1 1 353.850 3.346 20 5 FGBDMO CCS[C@@H]1CCCC[N@@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000153112470 704985632 /nfs/dbraw/zinc/98/56/32/704985632.db2.gz YVIFQUMKLONPAH-MRXNPFEDSA-N 1 1 361.471 3.418 20 5 FGBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000164567487 705330880 /nfs/dbraw/zinc/33/08/80/705330880.db2.gz DCMFUKMGDUDJGS-GFCCVEGCSA-N 1 1 354.838 3.348 20 5 FGBDMO O=C(c1csc([N+](=O)[O-])c1)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000261712068 713713292 /nfs/dbraw/zinc/71/32/92/713713292.db2.gz DRBVNLMZIKGBDB-CYBMUJFWSA-N 1 1 351.815 3.096 20 5 FGBDMO Cc1ncc(C[N@@H+]2CC[C@@H](Nc3ncc([N+](=O)[O-])s3)[C@@H](C)C2)s1 ZINC000374424219 713921557 /nfs/dbraw/zinc/92/15/57/713921557.db2.gz PLYDZNMFJUPUBK-JOYOIKCWSA-N 1 1 353.473 3.139 20 5 FGBDMO Cc1ncc(C[N@H+]2CC[C@@H](Nc3ncc([N+](=O)[O-])s3)[C@@H](C)C2)s1 ZINC000374424219 713921558 /nfs/dbraw/zinc/92/15/58/713921558.db2.gz PLYDZNMFJUPUBK-JOYOIKCWSA-N 1 1 353.473 3.139 20 5 FGBDMO C[N@H+]1CCCC[C@@H]1CCC(=O)OCCCOc1ccc([N+](=O)[O-])cc1 ZINC000803857677 724476595 /nfs/dbraw/zinc/47/65/95/724476595.db2.gz YJFHUMXIBPSBQB-OAHLLOKOSA-N 1 1 350.415 3.171 20 5 FGBDMO Cc1cnc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c([N+](=O)[O-])c1 ZINC001164626468 719056367 /nfs/dbraw/zinc/05/63/67/719056367.db2.gz RLWZWLWZOYQPMZ-HKUYNNGSSA-N 1 1 352.438 3.399 20 5 FGBDMO O=[N+]([O-])c1cnc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c(F)c1 ZINC001164623693 719071895 /nfs/dbraw/zinc/07/18/95/719071895.db2.gz KONKKXIRIZYBTG-MAUKXSAKSA-N 1 1 356.401 3.230 20 5 FGBDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000804869798 724559262 /nfs/dbraw/zinc/55/92/62/724559262.db2.gz DOPGPPISOPWXTR-UHFFFAOYSA-N 1 1 365.817 3.435 20 5 FGBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CC3(C2)CC[N@@H+](CC2CC2)C3)c1 ZINC001164774699 721303368 /nfs/dbraw/zinc/30/33/68/721303368.db2.gz IDQDFNBXVNBBBS-UHFFFAOYSA-N 1 1 373.844 3.114 20 5 FGBDMO O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000715597188 722416027 /nfs/dbraw/zinc/41/60/27/722416027.db2.gz OZGBZKFUWHBAAY-OAHLLOKOSA-N 1 1 359.813 3.253 20 5 FGBDMO O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000715597188 722416028 /nfs/dbraw/zinc/41/60/28/722416028.db2.gz OZGBZKFUWHBAAY-OAHLLOKOSA-N 1 1 359.813 3.253 20 5 FGBDMO COC1CCN(C(C)(C)C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000730817265 722471226 /nfs/dbraw/zinc/47/12/26/722471226.db2.gz JPSYESKNUQDQPB-UHFFFAOYSA-N 1 1 355.866 3.227 20 5 FGBDMO CC(C)OCCC[N@@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000740880838 722538966 /nfs/dbraw/zinc/53/89/66/722538966.db2.gz AMJKOTIOELQNEI-GFCCVEGCSA-N 1 1 357.838 3.322 20 5 FGBDMO CC[N@@H+](CCNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-])CCC(F)(F)F ZINC000757618427 722977553 /nfs/dbraw/zinc/97/75/53/722977553.db2.gz OSGGCAABGASYIF-UHFFFAOYSA-N 1 1 365.327 3.046 20 5 FGBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cn1c(=O)oc2cc(Cl)ccc21 ZINC000795643308 723603953 /nfs/dbraw/zinc/60/39/53/723603953.db2.gz DGUJUEUKSUYLEH-UHFFFAOYSA-N 1 1 361.785 3.288 20 5 FGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cn1c(=O)oc2cc(Cl)ccc21 ZINC000795643308 723603955 /nfs/dbraw/zinc/60/39/55/723603955.db2.gz DGUJUEUKSUYLEH-UHFFFAOYSA-N 1 1 361.785 3.288 20 5 FGBDMO CO[C@@]1(C)CCC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000796500095 723640422 /nfs/dbraw/zinc/64/04/22/723640422.db2.gz JGGNNLSDRWPNMB-INIZCTEOSA-N 1 1 355.822 3.078 20 5 FGBDMO COC(=O)CC[N@@H+](Cc1c(Br)cccc1[N+](=O)[O-])CC(C)C ZINC000768852072 723669637 /nfs/dbraw/zinc/66/96/37/723669637.db2.gz UHDIKQYUJXJCTO-UHFFFAOYSA-N 1 1 373.247 3.378 20 5 FGBDMO COC(=O)CC[N@H+](Cc1c(Br)cccc1[N+](=O)[O-])CC(C)C ZINC000768852072 723669638 /nfs/dbraw/zinc/66/96/38/723669638.db2.gz UHDIKQYUJXJCTO-UHFFFAOYSA-N 1 1 373.247 3.378 20 5 FGBDMO C[N@@H+](CCOC(=O)c1ccc([N+](=O)[O-])c(F)c1)Cc1ccc(F)cc1 ZINC000769092600 723676628 /nfs/dbraw/zinc/67/66/28/723676628.db2.gz JBWJKWMNVPGLPO-UHFFFAOYSA-N 1 1 350.321 3.162 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=S)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000772802126 723768572 /nfs/dbraw/zinc/76/85/72/723768572.db2.gz ZTFMELVIVOYXID-AWEZNQCLSA-N 1 1 350.488 3.249 20 5 FGBDMO C[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000809215836 725234720 /nfs/dbraw/zinc/23/47/20/725234720.db2.gz XCDLHPZSEDIXHG-CQSZACIVSA-N 1 1 350.802 3.120 20 5 FGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC000810068582 725286441 /nfs/dbraw/zinc/28/64/41/725286441.db2.gz SKSUZLRINDHFLW-NEPJUHHUSA-N 1 1 359.348 3.046 20 5 FGBDMO CCn1cccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1=O ZINC000811497605 725369705 /nfs/dbraw/zinc/36/97/05/725369705.db2.gz RMGQRFXOGOIUJY-UHFFFAOYSA-N 1 1 356.209 3.373 20 5 FGBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000811894208 725384175 /nfs/dbraw/zinc/38/41/75/725384175.db2.gz WHIUTQVJAHTUML-GFCCVEGCSA-N 1 1 356.854 3.168 20 5 FGBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000812393893 725395531 /nfs/dbraw/zinc/39/55/31/725395531.db2.gz KUJRBSGCYDHPAZ-NSHDSACASA-N 1 1 372.263 3.208 20 5 FGBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@@H]1C ZINC000813116685 726840780 /nfs/dbraw/zinc/84/07/80/726840780.db2.gz LZEKLVQHILDDEH-VHSXEESVSA-N 1 1 360.241 3.456 20 5 FGBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@@H]1C ZINC000813116685 726840784 /nfs/dbraw/zinc/84/07/84/726840784.db2.gz LZEKLVQHILDDEH-VHSXEESVSA-N 1 1 360.241 3.456 20 5 FGBDMO O=C(/C=C/c1cccs1)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813174467 726846580 /nfs/dbraw/zinc/84/65/80/726846580.db2.gz UGYMZFZNMPQBFA-MOEXGYKKSA-N 1 1 358.419 3.487 20 5 FGBDMO O=C(/C=C/c1cccs1)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813174467 726846583 /nfs/dbraw/zinc/84/65/83/726846583.db2.gz UGYMZFZNMPQBFA-MOEXGYKKSA-N 1 1 358.419 3.487 20 5 FGBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000813426581 726874876 /nfs/dbraw/zinc/87/48/76/726874876.db2.gz JIWDJHNDROUBMA-SNVBAGLBSA-N 1 1 360.241 3.362 20 5 FGBDMO CC[N@H+]1CC[C@H]2OCCN(Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])[C@H]2C1 ZINC000815138184 727043896 /nfs/dbraw/zinc/04/38/96/727043896.db2.gz GNAOXKXFFXVDAP-LSDHHAIUSA-N 1 1 374.268 3.197 20 5 FGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)c1 ZINC000815207357 727052253 /nfs/dbraw/zinc/05/22/53/727052253.db2.gz CIJSPKWEIGZIEV-MSOLQXFVSA-N 1 1 362.813 3.435 20 5 FGBDMO C[N@H+]1CCC[C@@]2(CCN(Cc3c(Br)cccc3[N+](=O)[O-])C2)C1 ZINC000816642434 727183966 /nfs/dbraw/zinc/18/39/66/727183966.db2.gz ZJASOZBFGAXFRU-MRXNPFEDSA-N 1 1 368.275 3.275 20 5 FGBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC[C@H]21 ZINC000827254474 729427644 /nfs/dbraw/zinc/42/76/44/729427644.db2.gz PPDGUDDJWICLMK-NOZJJQNGSA-N 1 1 358.225 3.068 20 5 FGBDMO COC(=O)c1cc([N+](=O)[O-])c(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Cl ZINC000829114111 729458802 /nfs/dbraw/zinc/45/88/02/729458802.db2.gz UPABWCSDVGTOBA-FGWVZKOKSA-N 1 1 353.806 3.072 20 5 FGBDMO COC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000832744455 729729547 /nfs/dbraw/zinc/72/95/47/729729547.db2.gz DPASSDZLSIHDNE-OLZOCXBDSA-N 1 1 369.849 3.324 20 5 FGBDMO COC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000832744455 729729548 /nfs/dbraw/zinc/72/95/48/729729548.db2.gz DPASSDZLSIHDNE-OLZOCXBDSA-N 1 1 369.849 3.324 20 5 FGBDMO Cc1[nH+]ccn1CCCCNC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC000836712956 729966884 /nfs/dbraw/zinc/96/68/84/729966884.db2.gz JTTRCOTVJRZNKD-UHFFFAOYSA-N 1 1 350.806 3.272 20 5 FGBDMO COc1cc(C(=O)OC[C@@H]2CCC[N@H+](C(C)C)C2)cc([N+](=O)[O-])c1C ZINC000842833507 730548289 /nfs/dbraw/zinc/54/82/89/730548289.db2.gz KVZWHQSYZYCHAD-CQSZACIVSA-N 1 1 350.415 3.189 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@H]1COC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000845731066 730888870 /nfs/dbraw/zinc/88/88/70/730888870.db2.gz LRWUOSKLWJJYFK-NSHDSACASA-N 1 1 358.341 3.226 20 5 FGBDMO C[C@@H]1C[C@H]([N@@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CCO1 ZINC000852021764 731534382 /nfs/dbraw/zinc/53/43/82/731534382.db2.gz LCLBRMITSWYSBS-GHMZBOCLSA-N 1 1 355.232 3.283 20 5 FGBDMO C[C@@H]1C[C@H]([N@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CCO1 ZINC000852021764 731534387 /nfs/dbraw/zinc/53/43/87/731534387.db2.gz LCLBRMITSWYSBS-GHMZBOCLSA-N 1 1 355.232 3.283 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@](O)(C3CC3)C2)ccc1Br ZINC000852501787 731593911 /nfs/dbraw/zinc/59/39/11/731593911.db2.gz UZFSOCYKMODFLX-OAHLLOKOSA-N 1 1 355.232 3.094 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@](O)(C3CC3)C2)ccc1Br ZINC000852501787 731593913 /nfs/dbraw/zinc/59/39/13/731593913.db2.gz UZFSOCYKMODFLX-OAHLLOKOSA-N 1 1 355.232 3.094 20 5 FGBDMO C[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1CCC[NH3+] ZINC000852758853 731631194 /nfs/dbraw/zinc/63/11/94/731631194.db2.gz FUGDBKFMNFDWSW-IUODEOHRSA-N 1 1 368.865 3.026 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)cc1Cl ZINC000854735133 731857379 /nfs/dbraw/zinc/85/73/79/731857379.db2.gz KGDGEAWWJAJAMZ-QGZVFWFLSA-N 1 1 351.834 3.115 20 5 FGBDMO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])n1 ZINC000860150725 732461171 /nfs/dbraw/zinc/46/11/71/732461171.db2.gz XQCKEMHGBNNOEC-WCQYABFASA-N 1 1 373.196 3.213 20 5 FGBDMO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1nccc(C(F)(F)F)n1 ZINC000866374884 733341050 /nfs/dbraw/zinc/34/10/50/733341050.db2.gz HWPMQONUWXCTLW-VIFPVBQESA-N 1 1 358.295 3.264 20 5 FGBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCS(=O)(=O)C(C)(C)C ZINC000872046542 735581209 /nfs/dbraw/zinc/58/12/09/735581209.db2.gz YJCGXUHUFHDWPR-LLVKDONJSA-N 1 1 360.501 3.181 20 5 FGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCS(=O)(=O)C(C)(C)C ZINC000872046543 735581290 /nfs/dbraw/zinc/58/12/90/735581290.db2.gz YJCGXUHUFHDWPR-NSHDSACASA-N 1 1 360.501 3.181 20 5 FGBDMO CO[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 ZINC000878400363 736824724 /nfs/dbraw/zinc/82/47/24/736824724.db2.gz AAHNIFWTUCQMRP-GFCCVEGCSA-N 1 1 366.805 3.299 20 5 FGBDMO COC[C@H]([NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000894090309 742237577 /nfs/dbraw/zinc/23/75/77/742237577.db2.gz SFEKFGIWZMMXCG-AWEZNQCLSA-N 1 1 366.801 3.440 20 5 FGBDMO COc1c(O)ccc(CN(C)CCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000896028131 742484422 /nfs/dbraw/zinc/48/44/22/742484422.db2.gz OWAQWDPISAICDP-UHFFFAOYSA-N 1 1 351.447 3.007 20 5 FGBDMO CC[N@H+]1CCCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC1 ZINC000900634599 743140765 /nfs/dbraw/zinc/14/07/65/743140765.db2.gz UECSUAAXLPFPBX-UHFFFAOYSA-N 1 1 364.204 3.209 20 5 FGBDMO C[N@H+]1CCC[C@H]2CN(C(=O)CCc3ccc([N+](=O)[O-])cc3Cl)CC[C@H]21 ZINC000907038114 744180777 /nfs/dbraw/zinc/18/07/77/744180777.db2.gz QWLUPAUWHPXFMA-WMLDXEAASA-N 1 1 365.861 3.124 20 5 FGBDMO C[C@H]1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC[N@H+](C2CCC2)C1 ZINC000908358052 744281830 /nfs/dbraw/zinc/28/18/30/744281830.db2.gz KLNXAGVKWXYSKV-LLVKDONJSA-N 1 1 369.824 3.334 20 5 FGBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000933621491 761441512 /nfs/dbraw/zinc/44/15/12/761441512.db2.gz IRAOXXSUTHUTRP-ZDUSSCGKSA-N 1 1 351.472 3.263 20 5 FGBDMO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000570846290 505594044 /nfs/dbraw/zinc/59/40/44/505594044.db2.gz RXHIKZHJNRBKIS-QGZVFWFLSA-N 1 1 357.458 3.096 20 5 FGBDMO CC[NH+](CC)CC1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000047978579 493768557 /nfs/dbraw/zinc/76/85/57/493768557.db2.gz IILWFFBIXFQVMW-UHFFFAOYSA-N 1 1 363.458 3.015 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+](C)Cc2ccc(Cl)nc2)cccc1[N+](=O)[O-] ZINC000080910623 493789284 /nfs/dbraw/zinc/78/92/84/493789284.db2.gz USJZEYVGEFSGID-UHFFFAOYSA-N 1 1 362.817 3.412 20 5 FGBDMO COc1ccc(NC(=O)C[N@@H+](Cc2ccccc2)C(C)C)c([N+](=O)[O-])c1 ZINC000028842923 493803939 /nfs/dbraw/zinc/80/39/39/493803939.db2.gz QAIHYPORJCRZSK-UHFFFAOYSA-N 1 1 357.410 3.453 20 5 FGBDMO Cc1cc(N2CCC([N@@H+](C)CCc3ccc([N+](=O)[O-])cc3)CC2)nc(C)n1 ZINC000080968003 493804449 /nfs/dbraw/zinc/80/44/49/493804449.db2.gz MMAQWMDPOQLHLM-UHFFFAOYSA-N 1 1 369.469 3.145 20 5 FGBDMO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000081123348 493836394 /nfs/dbraw/zinc/83/63/94/493836394.db2.gz VKNZYBQVUZXIMQ-UONOGXRCSA-N 1 1 351.834 3.081 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(F)cc1 ZINC000003541981 493852546 /nfs/dbraw/zinc/85/25/46/493852546.db2.gz CWGOZKRFECONKK-GFCCVEGCSA-N 1 1 361.373 3.202 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(F)cc1 ZINC000003541981 493852549 /nfs/dbraw/zinc/85/25/49/493852549.db2.gz CWGOZKRFECONKK-GFCCVEGCSA-N 1 1 361.373 3.202 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCCOc1ccccc1 ZINC000029853007 493862987 /nfs/dbraw/zinc/86/29/87/493862987.db2.gz DPYDJXWMJQTGCC-OAHLLOKOSA-N 1 1 357.410 3.323 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCCOc1ccccc1 ZINC000029853007 493862991 /nfs/dbraw/zinc/86/29/91/493862991.db2.gz DPYDJXWMJQTGCC-OAHLLOKOSA-N 1 1 357.410 3.323 20 5 FGBDMO Cc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000076494281 493905686 /nfs/dbraw/zinc/90/56/86/493905686.db2.gz BMFXZYHYZGNJFY-INIZCTEOSA-N 1 1 353.422 3.250 20 5 FGBDMO Cc1ccc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000076494281 493905692 /nfs/dbraw/zinc/90/56/92/493905692.db2.gz BMFXZYHYZGNJFY-INIZCTEOSA-N 1 1 353.422 3.250 20 5 FGBDMO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000050631692 493925094 /nfs/dbraw/zinc/92/50/94/493925094.db2.gz SPBSRXDYMKONQT-HNNXBMFYSA-N 1 1 372.450 3.029 20 5 FGBDMO Cc1cc(C)c(NC(=O)C[N@H+](C)CCOc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000051589650 493977896 /nfs/dbraw/zinc/97/78/96/493977896.db2.gz BUWKEZQJGMDOEC-UHFFFAOYSA-N 1 1 371.437 3.469 20 5 FGBDMO Cc1cc(C)c(NC(=O)C[N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000051589650 493977899 /nfs/dbraw/zinc/97/78/99/493977899.db2.gz BUWKEZQJGMDOEC-UHFFFAOYSA-N 1 1 371.437 3.469 20 5 FGBDMO CC[N@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000052072406 494002707 /nfs/dbraw/zinc/00/27/07/494002707.db2.gz FTWLSSSTJMVZKK-LLVKDONJSA-N 1 1 360.357 3.063 20 5 FGBDMO COc1ccccc1[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(C)s1)[NH+](C)C ZINC000032695896 494006125 /nfs/dbraw/zinc/00/61/25/494006125.db2.gz NIPGDYWDQPCOTQ-CQSZACIVSA-N 1 1 363.439 3.006 20 5 FGBDMO Cc1[nH+]ccn1CCNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000052191140 494010104 /nfs/dbraw/zinc/01/01/04/494010104.db2.gz ZNDMGNLWYPSBJO-UHFFFAOYSA-N 1 1 366.377 3.322 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCOc2ccccc2C1 ZINC000077233935 494038835 /nfs/dbraw/zinc/03/88/35/494038835.db2.gz YQTBIDPJOPMVQN-UHFFFAOYSA-N 1 1 355.394 3.126 20 5 FGBDMO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000052829565 494065365 /nfs/dbraw/zinc/06/53/65/494065365.db2.gz LKYOXDDCUMTSLB-AWEZNQCLSA-N 1 1 374.828 3.494 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1ccccn1)C(C)C ZINC000052832780 494067302 /nfs/dbraw/zinc/06/73/02/494067302.db2.gz RXYMJEJDGBUJPI-UHFFFAOYSA-N 1 1 372.425 3.238 20 5 FGBDMO CC(C)(C)[N@H+]1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000063725150 494080870 /nfs/dbraw/zinc/08/08/70/494080870.db2.gz LIMQMNXQDDUPJY-UHFFFAOYSA-N 1 1 362.474 3.120 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000063821883 494091434 /nfs/dbraw/zinc/09/14/34/494091434.db2.gz QRDKLLHXRMRQBI-INIZCTEOSA-N 1 1 363.458 3.135 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000010339670 494150550 /nfs/dbraw/zinc/15/05/50/494150550.db2.gz IQQJUWMOZJKCRD-QGZVFWFLSA-N 1 1 355.394 3.379 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000010339670 494150553 /nfs/dbraw/zinc/15/05/53/494150553.db2.gz IQQJUWMOZJKCRD-QGZVFWFLSA-N 1 1 355.394 3.379 20 5 FGBDMO Cc1cccc(NC(=O)C[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)c1C ZINC000065208744 494178973 /nfs/dbraw/zinc/17/89/73/494178973.db2.gz NLIIGNGBOPFVKT-UHFFFAOYSA-N 1 1 357.410 3.161 20 5 FGBDMO Cc1cccc(NC(=O)C[N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)c1C ZINC000065208744 494178977 /nfs/dbraw/zinc/17/89/77/494178977.db2.gz NLIIGNGBOPFVKT-UHFFFAOYSA-N 1 1 357.410 3.161 20 5 FGBDMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000054059068 494190989 /nfs/dbraw/zinc/19/09/89/494190989.db2.gz KIORXZZFSDINCO-MRXNPFEDSA-N 1 1 361.373 3.284 20 5 FGBDMO COc1ccc(C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000054226046 494208471 /nfs/dbraw/zinc/20/84/71/494208471.db2.gz QCPIUTKFJSFNRS-PBHICJAKSA-N 1 1 369.421 3.169 20 5 FGBDMO CC(C)Oc1cccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000072665039 494228635 /nfs/dbraw/zinc/22/86/35/494228635.db2.gz DHVLOJYXCMKTTL-MRXNPFEDSA-N 1 1 356.426 3.463 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000043149718 494271581 /nfs/dbraw/zinc/27/15/81/494271581.db2.gz PEQZRMIMTIHVEJ-INIZCTEOSA-N 1 1 354.410 3.299 20 5 FGBDMO Cc1c(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000043347968 494289930 /nfs/dbraw/zinc/28/99/30/494289930.db2.gz AAJNSQYDTMBYDB-MRXNPFEDSA-N 1 1 354.410 3.299 20 5 FGBDMO CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000066473836 494341623 /nfs/dbraw/zinc/34/16/23/494341623.db2.gz GFNQMXIRMANPMJ-GJZGRUSLSA-N 1 1 363.458 3.120 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@H+](CC)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000016483201 494391829 /nfs/dbraw/zinc/39/18/29/494391829.db2.gz WURSGFOCZDMINE-UHFFFAOYSA-N 1 1 357.410 3.454 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@@H+](CC)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000016483201 494391831 /nfs/dbraw/zinc/39/18/31/494391831.db2.gz WURSGFOCZDMINE-UHFFFAOYSA-N 1 1 357.410 3.454 20 5 FGBDMO C[N@@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1 ZINC000089997024 494422517 /nfs/dbraw/zinc/42/25/17/494422517.db2.gz JVCRRFMLRJXYIL-SJORKVTESA-N 1 1 359.813 3.423 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1 ZINC000089997024 494422522 /nfs/dbraw/zinc/42/25/22/494422522.db2.gz JVCRRFMLRJXYIL-SJORKVTESA-N 1 1 359.813 3.423 20 5 FGBDMO O=C(NCCC[N@H+]1CCc2ccccc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000073889903 494443215 /nfs/dbraw/zinc/44/32/15/494443215.db2.gz XOOLOELHMDDTJK-UHFFFAOYSA-N 1 1 354.410 3.165 20 5 FGBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC000073917799 494448701 /nfs/dbraw/zinc/44/87/01/494448701.db2.gz UIKMCHCUEYVYFQ-UHFFFAOYSA-N 1 1 370.453 3.088 20 5 FGBDMO O=C1[C@H]([N@@H+]2CCCc3sccc3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000067399673 494531701 /nfs/dbraw/zinc/53/17/01/494531701.db2.gz KKJPTMRVQIGGAO-MRXNPFEDSA-N 1 1 357.435 3.210 20 5 FGBDMO O=C1[C@H]([N@H+]2CCCc3sccc3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000067399673 494531707 /nfs/dbraw/zinc/53/17/07/494531707.db2.gz KKJPTMRVQIGGAO-MRXNPFEDSA-N 1 1 357.435 3.210 20 5 FGBDMO O=C(CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)NCc1ccccc1Cl ZINC000131337241 494587300 /nfs/dbraw/zinc/58/73/00/494587300.db2.gz ARYWDZNNPDRSOL-UHFFFAOYSA-N 1 1 373.840 3.313 20 5 FGBDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)c2C1 ZINC000092408002 494617547 /nfs/dbraw/zinc/61/75/47/494617547.db2.gz RFFOSKYJPUIUDW-UHFFFAOYSA-N 1 1 371.441 3.137 20 5 FGBDMO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000092506522 494649813 /nfs/dbraw/zinc/64/98/13/494649813.db2.gz PQBHJADKORTCQH-RXGJYJJYSA-N 1 1 359.470 3.182 20 5 FGBDMO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000092506522 494649817 /nfs/dbraw/zinc/64/98/17/494649817.db2.gz PQBHJADKORTCQH-RXGJYJJYSA-N 1 1 359.470 3.182 20 5 FGBDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)nc1 ZINC000092004476 494749930 /nfs/dbraw/zinc/74/99/30/494749930.db2.gz ALMIBJADWQPDGO-QGZVFWFLSA-N 1 1 368.437 3.457 20 5 FGBDMO C[NH+]1CCN(CCCCNc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000121456981 494764821 /nfs/dbraw/zinc/76/48/21/494764821.db2.gz MGJZHHLQFZMYBV-UHFFFAOYSA-N 1 1 361.273 3.341 20 5 FGBDMO Cc1nc2ccccc2nc1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047742849 494768670 /nfs/dbraw/zinc/76/86/70/494768670.db2.gz DSAFNPSOQFCGRN-UHFFFAOYSA-N 1 1 363.421 3.169 20 5 FGBDMO Cn1cc(C[N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])c(C(F)(F)F)n1 ZINC000092068848 494776793 /nfs/dbraw/zinc/77/67/93/494776793.db2.gz CVWJWEZJTXWQIJ-FNORWQNLSA-N 1 1 354.332 3.492 20 5 FGBDMO Cn1cc(C[N@@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])c(C(F)(F)F)n1 ZINC000092068848 494776801 /nfs/dbraw/zinc/77/68/01/494776801.db2.gz CVWJWEZJTXWQIJ-FNORWQNLSA-N 1 1 354.332 3.492 20 5 FGBDMO CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)CC1CC[NH+](C)CC1 ZINC000093088646 494824743 /nfs/dbraw/zinc/82/47/43/494824743.db2.gz MIAMLCVXRMBIPX-UHFFFAOYSA-N 1 1 360.483 3.492 20 5 FGBDMO CCn1c(SCC[C@H]2CCC[N@H+]2C)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000126846754 494848990 /nfs/dbraw/zinc/84/89/90/494848990.db2.gz IJKDFBQQAVGOIC-CQSZACIVSA-N 1 1 361.471 3.450 20 5 FGBDMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000027334092 494861999 /nfs/dbraw/zinc/86/19/99/494861999.db2.gz VMEYGZIFMLIYPH-HNNXBMFYSA-N 1 1 363.801 3.408 20 5 FGBDMO CN(Cc1cc(O)ccc1[N+](=O)[O-])C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093336730 494872975 /nfs/dbraw/zinc/87/29/75/494872975.db2.gz HAXBWNUNMAWNNK-KRWDZBQOSA-N 1 1 355.438 3.254 20 5 FGBDMO CN(Cc1cc(O)ccc1[N+](=O)[O-])C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093336730 494872977 /nfs/dbraw/zinc/87/29/77/494872977.db2.gz HAXBWNUNMAWNNK-KRWDZBQOSA-N 1 1 355.438 3.254 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3c[nH]nc3-c3ccccc3)C2)nc1 ZINC000093534333 494898528 /nfs/dbraw/zinc/89/85/28/494898528.db2.gz AJPYOGZTMPSEAA-INIZCTEOSA-N 1 1 364.409 3.066 20 5 FGBDMO Cc1cc(C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)cc([N+](=O)[O-])c1 ZINC000121990851 494905376 /nfs/dbraw/zinc/90/53/76/494905376.db2.gz KBEMDBYHQHXNQS-CYBMUJFWSA-N 1 1 359.451 3.141 20 5 FGBDMO Cc1cc(C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)cc([N+](=O)[O-])c1 ZINC000121990851 494905381 /nfs/dbraw/zinc/90/53/81/494905381.db2.gz KBEMDBYHQHXNQS-CYBMUJFWSA-N 1 1 359.451 3.141 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)C1CC1 ZINC000132779317 494923321 /nfs/dbraw/zinc/92/33/21/494923321.db2.gz UNEBMZWUKZFNEC-OXJNMPFZSA-N 1 1 373.497 3.006 20 5 FGBDMO C[C@H]1C[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)C[N@H+]1Cc1ccccc1 ZINC000127323481 494928226 /nfs/dbraw/zinc/92/82/26/494928226.db2.gz FZWATVZIXJDFGY-YJBOKZPZSA-N 1 1 368.437 3.057 20 5 FGBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000122543459 494991876 /nfs/dbraw/zinc/99/18/76/494991876.db2.gz RAAWLUOKGZQVBI-CYBMUJFWSA-N 1 1 358.442 3.463 20 5 FGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000122836233 495038514 /nfs/dbraw/zinc/03/85/14/495038514.db2.gz ISCUVVIPXUHSIJ-GZBFAFLISA-N 1 1 351.472 3.017 20 5 FGBDMO Cc1cc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])nc(N2CCCC2)n1 ZINC000580449220 505762445 /nfs/dbraw/zinc/76/24/45/505762445.db2.gz JQIJVKTVDURZRH-KRWDZBQOSA-N 1 1 353.426 3.071 20 5 FGBDMO COc1ccc(-c2ccc(CNC[C@H]3CC[N@H+](C4CC4)C3)o2)c([N+](=O)[O-])c1 ZINC000102421827 495136309 /nfs/dbraw/zinc/13/63/09/495136309.db2.gz FUNQINYRUSQKII-CQSZACIVSA-N 1 1 371.437 3.437 20 5 FGBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000112360352 495179957 /nfs/dbraw/zinc/17/99/57/495179957.db2.gz YGRNMMCRHGHBJD-GOSISDBHSA-N 1 1 357.385 3.014 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000134880565 495214433 /nfs/dbraw/zinc/21/44/33/495214433.db2.gz PWFYVVNXCWTZJI-WBVHZDCISA-N 1 1 353.422 3.296 20 5 FGBDMO Cn1cc(C[N@@H+](C)CCC2CCOCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000129617331 495271203 /nfs/dbraw/zinc/27/12/03/495271203.db2.gz HYTVZZOOEIDWAU-UHFFFAOYSA-N 1 1 358.442 3.244 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000113900343 495334335 /nfs/dbraw/zinc/33/43/35/495334335.db2.gz JHXPHIJAKDFKSJ-SJORKVTESA-N 1 1 374.485 3.120 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@](O)(C(F)(F)F)C3)o2)cc1 ZINC000130154741 495349570 /nfs/dbraw/zinc/34/95/70/495349570.db2.gz PWNNHKBJCRKSBB-HNNXBMFYSA-N 1 1 356.300 3.354 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@](O)(C(F)(F)F)C3)o2)cc1 ZINC000130154741 495349574 /nfs/dbraw/zinc/34/95/74/495349574.db2.gz PWNNHKBJCRKSBB-HNNXBMFYSA-N 1 1 356.300 3.354 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000136030603 495351545 /nfs/dbraw/zinc/35/15/45/495351545.db2.gz XUDFXPIRGJHIST-CYBMUJFWSA-N 1 1 351.472 3.169 20 5 FGBDMO C[C@@H](NC(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000571652036 505783114 /nfs/dbraw/zinc/78/31/14/505783114.db2.gz UANYOPVPTJSQIY-CQSZACIVSA-N 1 1 359.401 3.086 20 5 FGBDMO C[C@@H](NC(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000571652036 505783118 /nfs/dbraw/zinc/78/31/18/505783118.db2.gz UANYOPVPTJSQIY-CQSZACIVSA-N 1 1 359.401 3.086 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@@]4(O)CCCC[C@@H]4C3)o2)c1 ZINC000140357898 495493557 /nfs/dbraw/zinc/49/35/57/495493557.db2.gz NNJLDYVRBIYDPJ-UZLBHIALSA-N 1 1 371.437 3.419 20 5 FGBDMO COc1ccc(CCC[N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000125900926 495515764 /nfs/dbraw/zinc/51/57/64/495515764.db2.gz LZGQDRREIWYCHT-UHFFFAOYSA-N 1 1 371.437 3.415 20 5 FGBDMO Cc1cnc([C@H]([NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C2CC2)s1 ZINC000185346540 495540178 /nfs/dbraw/zinc/54/01/78/495540178.db2.gz FOYGWOZACQZXOQ-IAQYHMDHSA-N 1 1 360.439 3.428 20 5 FGBDMO Cc1cnc([C@@H]([NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C2CC2)s1 ZINC000185350233 495542597 /nfs/dbraw/zinc/54/25/97/495542597.db2.gz KWBUIJKOLFLEPB-HOTGVXAUSA-N 1 1 372.450 3.206 20 5 FGBDMO C[N@@H+](CCCc1cc(-c2ccccc2)no1)CCn1ccc([N+](=O)[O-])n1 ZINC000176224784 495552976 /nfs/dbraw/zinc/55/29/76/495552976.db2.gz WTQUJUJLPIEUQP-UHFFFAOYSA-N 1 1 355.398 3.011 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000185524128 495609601 /nfs/dbraw/zinc/60/96/01/495609601.db2.gz MDQNYVYDVRPTOR-AOIWGVFYSA-N 1 1 359.470 3.106 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000159651999 495778820 /nfs/dbraw/zinc/77/88/20/495778820.db2.gz CECXKHJXKAYUKV-ZDUSSCGKSA-N 1 1 351.472 3.121 20 5 FGBDMO Cc1ccc(NCCCNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)[nH+]c1 ZINC000183016133 495799579 /nfs/dbraw/zinc/79/95/79/495799579.db2.gz NJOVLCNJNZQFQN-ZDUSSCGKSA-N 1 1 360.389 3.159 20 5 FGBDMO O=C(C[NH2+]C1(c2ccc(F)cc2F)CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000179984647 495811377 /nfs/dbraw/zinc/81/13/77/495811377.db2.gz NHIHVGMGLQCNES-UHFFFAOYSA-N 1 1 361.348 3.481 20 5 FGBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000186015575 495820853 /nfs/dbraw/zinc/82/08/53/495820853.db2.gz PTXXFCOCVPOIBL-ZDUSSCGKSA-N 1 1 368.865 3.168 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000183254322 495901209 /nfs/dbraw/zinc/90/12/09/495901209.db2.gz URMUMNWHSWFKTQ-UHFFFAOYSA-N 1 1 371.412 3.390 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000183254322 495901218 /nfs/dbraw/zinc/90/12/18/495901218.db2.gz URMUMNWHSWFKTQ-UHFFFAOYSA-N 1 1 371.412 3.390 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@](C)(O)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000180199186 495902371 /nfs/dbraw/zinc/90/23/71/495902371.db2.gz DIPBXUVIORXBBL-FQEVSTJZSA-N 1 1 372.421 3.139 20 5 FGBDMO COc1ccc([C@@H]2CC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000155334779 495924442 /nfs/dbraw/zinc/92/44/42/495924442.db2.gz ILMTYCDNMAQUAH-MRXNPFEDSA-N 1 1 369.421 3.422 20 5 FGBDMO CCN(C(=O)c1csc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186321040 495947393 /nfs/dbraw/zinc/94/73/93/495947393.db2.gz BBXBEPAVJBDLAL-MRXNPFEDSA-N 1 1 359.451 3.393 20 5 FGBDMO C[C@@H]1C[C@@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C[N@H+]1C1CC1 ZINC000177144738 495947457 /nfs/dbraw/zinc/94/74/57/495947457.db2.gz APCVTFPXYGKMOF-DGCLKSJQSA-N 1 1 372.450 3.073 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000174551706 496006198 /nfs/dbraw/zinc/00/61/98/496006198.db2.gz XVWYUVGXILYQIP-CQSZACIVSA-N 1 1 359.430 3.155 20 5 FGBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2N)cc1 ZINC000183505072 496013480 /nfs/dbraw/zinc/01/34/80/496013480.db2.gz PVVYAQKMLBLMSX-ZDUSSCGKSA-N 1 1 369.425 3.199 20 5 FGBDMO C[C@@]1(CNc2ccc3ncc([N+](=O)[O-])n3n2)CCC[N@H+]1Cc1ccccc1 ZINC000160807957 496046713 /nfs/dbraw/zinc/04/67/13/496046713.db2.gz VTIHRSMMGAMRJH-IBGZPJMESA-N 1 1 366.425 3.104 20 5 FGBDMO C[C@@H]1C[C@H](NC(=O)Nc2ccncc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000183647332 496061978 /nfs/dbraw/zinc/06/19/78/496061978.db2.gz LOZICFHWNFPNKG-GDBMZVCRSA-N 1 1 369.425 3.164 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2CC[C@H](C1)[N@H+]2C(C)C ZINC000174746190 496086547 /nfs/dbraw/zinc/08/65/47/496086547.db2.gz AQEOGFLGMZJGEV-DZGCQCFKSA-N 1 1 362.430 3.082 20 5 FGBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](c3ccccc3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000177555544 496109800 /nfs/dbraw/zinc/10/98/00/496109800.db2.gz RNNBICWMHLWFRF-YOEHRIQHSA-N 1 1 369.421 3.420 20 5 FGBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@H](c3ccccc3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000177555544 496109804 /nfs/dbraw/zinc/10/98/04/496109804.db2.gz RNNBICWMHLWFRF-YOEHRIQHSA-N 1 1 369.421 3.420 20 5 FGBDMO Cc1c(CC(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000161145293 496113396 /nfs/dbraw/zinc/11/33/96/496113396.db2.gz RLHZKMZCCWLWHK-OAHLLOKOSA-N 1 1 367.449 3.009 20 5 FGBDMO C[C@H](c1ccccc1Br)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174835400 496126234 /nfs/dbraw/zinc/12/62/34/496126234.db2.gz NSRKZHPZGSAQCR-LLVKDONJSA-N 1 1 353.220 3.247 20 5 FGBDMO C[C@H](c1ccccc1Br)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174835400 496126235 /nfs/dbraw/zinc/12/62/35/496126235.db2.gz NSRKZHPZGSAQCR-LLVKDONJSA-N 1 1 353.220 3.247 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000156124796 496164372 /nfs/dbraw/zinc/16/43/72/496164372.db2.gz SGSMENYHLBULTK-CQSZACIVSA-N 1 1 364.446 3.237 20 5 FGBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000175051361 496227200 /nfs/dbraw/zinc/22/72/00/496227200.db2.gz SJADEJHUEZBWAW-SJLPKXTDSA-N 1 1 370.453 3.351 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3nc4ccccc4s3)C2)nc1 ZINC000172358583 496267292 /nfs/dbraw/zinc/26/72/92/496267292.db2.gz LVNISPCXEIRIQD-GFCCVEGCSA-N 1 1 355.423 3.286 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3nc4ccccc4s3)C2)nc1 ZINC000172358583 496267297 /nfs/dbraw/zinc/26/72/97/496267297.db2.gz LVNISPCXEIRIQD-GFCCVEGCSA-N 1 1 355.423 3.286 20 5 FGBDMO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000161981798 496275123 /nfs/dbraw/zinc/27/51/23/496275123.db2.gz CFMSAYOWESVXME-HNNXBMFYSA-N 1 1 363.801 3.348 20 5 FGBDMO NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000161981798 496275128 /nfs/dbraw/zinc/27/51/28/496275128.db2.gz CFMSAYOWESVXME-HNNXBMFYSA-N 1 1 363.801 3.348 20 5 FGBDMO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)cccc1[N+](=O)[O-] ZINC000156548980 496276478 /nfs/dbraw/zinc/27/64/78/496276478.db2.gz UUGUCUGIAYOREZ-RDTXWAMCSA-N 1 1 371.441 3.011 20 5 FGBDMO O=[N+]([O-])c1cccc(C[N@H+](C[C@H](O)COc2ccccc2F)C2CC2)c1 ZINC000178000505 496282598 /nfs/dbraw/zinc/28/25/98/496282598.db2.gz BTICZCNIJCKDLL-KRWDZBQOSA-N 1 1 360.385 3.138 20 5 FGBDMO CSc1ccc(C(=O)N2CCC[N@H+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000172422342 496292103 /nfs/dbraw/zinc/29/21/03/496292103.db2.gz FKLIUWZGSXCHAJ-UHFFFAOYSA-N 1 1 363.483 3.407 20 5 FGBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000162424633 496350895 /nfs/dbraw/zinc/35/08/95/496350895.db2.gz QKFVNWDSZZQALD-FQEVSTJZSA-N 1 1 368.437 3.083 20 5 FGBDMO CC(C)(C)OC1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000162444578 496354745 /nfs/dbraw/zinc/35/47/45/496354745.db2.gz GCKMYZMOVQLIHJ-UHFFFAOYSA-N 1 1 360.414 3.424 20 5 FGBDMO CN(C)C(=O)c1cccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000153294274 496412427 /nfs/dbraw/zinc/41/24/27/496412427.db2.gz AQQXHHVVTVFONE-UHFFFAOYSA-N 1 1 353.422 3.461 20 5 FGBDMO CN(C)C(=O)c1cccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000153294274 496412433 /nfs/dbraw/zinc/41/24/33/496412433.db2.gz AQQXHHVVTVFONE-UHFFFAOYSA-N 1 1 353.422 3.461 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000157162334 496419195 /nfs/dbraw/zinc/41/91/95/496419195.db2.gz AFJVKPOGWDGVNL-ZQIUZPCESA-N 1 1 363.483 3.018 20 5 FGBDMO C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181505382 496423344 /nfs/dbraw/zinc/42/33/44/496423344.db2.gz GPXHMGLZDXTDDZ-NVXWUHKLSA-N 1 1 359.470 3.297 20 5 FGBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000175533374 496430746 /nfs/dbraw/zinc/43/07/46/496430746.db2.gz KWPZCEGUSZXKPE-ZDUSSCGKSA-N 1 1 353.850 3.490 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000181545717 496439328 /nfs/dbraw/zinc/43/93/28/496439328.db2.gz PFDGWNLFJOJIFI-CHWSQXEVSA-N 1 1 363.483 3.450 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)ccc1OC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000153472163 496467041 /nfs/dbraw/zinc/46/70/41/496467041.db2.gz LQDPALDKDBOMKF-MRXNPFEDSA-N 1 1 362.813 3.046 20 5 FGBDMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000153540641 496490691 /nfs/dbraw/zinc/49/06/91/496490691.db2.gz PMRXTSIAUNISRU-ACZYKPOESA-N 1 1 355.438 3.083 20 5 FGBDMO CC(=O)N1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(C)(C)C1 ZINC000184725668 496508451 /nfs/dbraw/zinc/50/84/51/496508451.db2.gz VGJMJWRLCCHCTI-UHFFFAOYSA-N 1 1 357.410 3.298 20 5 FGBDMO CC(=O)N1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(C)(C)C1 ZINC000184725668 496508453 /nfs/dbraw/zinc/50/84/53/496508453.db2.gz VGJMJWRLCCHCTI-UHFFFAOYSA-N 1 1 357.410 3.298 20 5 FGBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000153656100 496534589 /nfs/dbraw/zinc/53/45/89/496534589.db2.gz QYVFCIVWEPQXLW-MRXNPFEDSA-N 1 1 374.485 3.175 20 5 FGBDMO COc1ccccc1[C@H]1CC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000157872241 496574794 /nfs/dbraw/zinc/57/47/94/496574794.db2.gz QOOMLVORJPQSIL-HNNXBMFYSA-N 1 1 369.421 3.340 20 5 FGBDMO COc1ccccc1[C@H]1CC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000157872241 496574797 /nfs/dbraw/zinc/57/47/97/496574797.db2.gz QOOMLVORJPQSIL-HNNXBMFYSA-N 1 1 369.421 3.340 20 5 FGBDMO C[N@H+](Cc1cc2ccccc2o1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181939788 496606156 /nfs/dbraw/zinc/60/61/56/496606156.db2.gz FTHKHQIZLFGWNM-HNNXBMFYSA-N 1 1 356.378 3.213 20 5 FGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c(Cl)c1 ZINC000182223547 496712781 /nfs/dbraw/zinc/71/27/81/496712781.db2.gz OBAIRZIKZYJKMU-MRXNPFEDSA-N 1 1 354.834 3.408 20 5 FGBDMO Cc1cnc([C@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000185295385 496725764 /nfs/dbraw/zinc/72/57/64/496725764.db2.gz NVKQRPHYTYYTOQ-XHDPSFHLSA-N 1 1 360.439 3.428 20 5 FGBDMO Cc1cnc([C@H]([NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C2CC2)s1 ZINC000185307700 496726876 /nfs/dbraw/zinc/72/68/76/496726876.db2.gz SLVFYHDZLLPEII-XHDPSFHLSA-N 1 1 360.439 3.428 20 5 FGBDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000191497249 496784355 /nfs/dbraw/zinc/78/43/55/496784355.db2.gz HACAMVAGEQPXDF-GOSISDBHSA-N 1 1 371.437 3.031 20 5 FGBDMO COC[C@@H](Cc1ccccc1)[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000191497249 496784350 /nfs/dbraw/zinc/78/43/50/496784350.db2.gz HACAMVAGEQPXDF-GOSISDBHSA-N 1 1 371.437 3.031 20 5 FGBDMO COc1ccc(CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000268788709 496786349 /nfs/dbraw/zinc/78/63/49/496786349.db2.gz BBGOHXHJUFFTED-HNNXBMFYSA-N 1 1 373.453 3.395 20 5 FGBDMO C[N@H+]1CCC[C@@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000247300626 496829488 /nfs/dbraw/zinc/82/94/88/496829488.db2.gz GXDNFYAWJWHZII-KXBFYZLASA-N 1 1 373.478 3.398 20 5 FGBDMO C[N@H+]1CCC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H]1c1cccs1 ZINC000247318346 496832858 /nfs/dbraw/zinc/83/28/58/496832858.db2.gz HWWXVSIMPCNHKK-BEFAXECRSA-N 1 1 373.478 3.398 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@]1(CO)CC(C)C ZINC000191643967 496844133 /nfs/dbraw/zinc/84/41/33/496844133.db2.gz KCPFZOUHTBELEM-IBGZPJMESA-N 1 1 363.458 3.105 20 5 FGBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000195335482 496894216 /nfs/dbraw/zinc/89/42/16/496894216.db2.gz UAXVURVFYIVPPA-CQSZACIVSA-N 1 1 351.838 3.488 20 5 FGBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CC[C@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000248369988 496984860 /nfs/dbraw/zinc/98/48/60/496984860.db2.gz WXEPVLRGSJIOLU-QUCCMNQESA-N 1 1 369.421 3.040 20 5 FGBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CC[C@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000248369988 496984863 /nfs/dbraw/zinc/98/48/63/496984863.db2.gz WXEPVLRGSJIOLU-QUCCMNQESA-N 1 1 369.421 3.040 20 5 FGBDMO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248373140 496985549 /nfs/dbraw/zinc/98/55/49/496985549.db2.gz GQPKTKAEBVUXQP-TZMCWYRMSA-N 1 1 366.364 3.306 20 5 FGBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]3CCCC[C@H]32)cc1 ZINC000248373367 496986468 /nfs/dbraw/zinc/98/64/68/496986468.db2.gz IJJBTDGKQJSPNU-RHSMWYFYSA-N 1 1 352.456 3.023 20 5 FGBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H]3CCCC[C@H]32)cc1 ZINC000248373367 496986470 /nfs/dbraw/zinc/98/64/70/496986470.db2.gz IJJBTDGKQJSPNU-RHSMWYFYSA-N 1 1 352.456 3.023 20 5 FGBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000278181969 497030520 /nfs/dbraw/zinc/03/05/20/497030520.db2.gz QUMULBHUPGYKPF-SNVBAGLBSA-N 1 1 350.806 3.128 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)s1 ZINC000278196942 497034620 /nfs/dbraw/zinc/03/46/20/497034620.db2.gz PJZFOBGZRKBTCO-CYBMUJFWSA-N 1 1 372.406 3.280 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)s1 ZINC000278196942 497034623 /nfs/dbraw/zinc/03/46/23/497034623.db2.gz PJZFOBGZRKBTCO-CYBMUJFWSA-N 1 1 372.406 3.280 20 5 FGBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000248563476 497040789 /nfs/dbraw/zinc/04/07/89/497040789.db2.gz KARWMLRYWOMBQD-KGLIPLIRSA-N 1 1 351.422 3.218 20 5 FGBDMO COc1cc(C[N@H+](C[C@H]2CCCO2)[C@H]2CCSC2)c([N+](=O)[O-])cc1F ZINC000248601053 497053016 /nfs/dbraw/zinc/05/30/16/497053016.db2.gz AGBKBPJKOYKQAE-UONOGXRCSA-N 1 1 370.446 3.229 20 5 FGBDMO COc1cc(C[N@@H+](C[C@H]2CCCO2)[C@H]2CCSC2)c([N+](=O)[O-])cc1F ZINC000248601053 497053019 /nfs/dbraw/zinc/05/30/19/497053019.db2.gz AGBKBPJKOYKQAE-UONOGXRCSA-N 1 1 370.446 3.229 20 5 FGBDMO C[C@H](c1cccnc1)[NH+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000265159962 497060335 /nfs/dbraw/zinc/06/03/35/497060335.db2.gz VRSOIUSBAZPXOE-OAHLLOKOSA-N 1 1 363.421 3.421 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[N@H+](C4CCCC4)CC3)o2)cc1 ZINC000265667579 497157541 /nfs/dbraw/zinc/15/75/41/497157541.db2.gz VUPAOIZEOXRJOK-UHFFFAOYSA-N 1 1 371.441 3.095 20 5 FGBDMO CC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](C)Cc1ccsc1 ZINC000249589165 497226326 /nfs/dbraw/zinc/22/63/26/497226326.db2.gz UWQSLKOZUNGAEB-PBHICJAKSA-N 1 1 364.467 3.349 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC2(CCOCC2)C1 ZINC000266039586 497239430 /nfs/dbraw/zinc/23/94/30/497239430.db2.gz VSABLOCCAOSPKT-UHFFFAOYSA-N 1 1 361.442 3.124 20 5 FGBDMO CC(C)(C)N1CC[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O ZINC000572120293 505895104 /nfs/dbraw/zinc/89/51/04/505895104.db2.gz PCVPBNCXXGWXKX-OAHLLOKOSA-N 1 1 357.410 3.344 20 5 FGBDMO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3cc(F)ccc3[N+](=O)[O-])CC2)C1 ZINC000193133112 497310367 /nfs/dbraw/zinc/31/03/67/497310367.db2.gz PIIQPELJGULTIW-AWEZNQCLSA-N 1 1 363.433 3.204 20 5 FGBDMO Cc1cc(C2CC[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)n[nH]1 ZINC000271608382 497397362 /nfs/dbraw/zinc/39/73/62/497397362.db2.gz JRZJLLNSXOPUFK-UHFFFAOYSA-N 1 1 371.441 3.143 20 5 FGBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000193642307 497434641 /nfs/dbraw/zinc/43/46/41/497434641.db2.gz PABRBLNWWSCGCS-OAHLLOKOSA-N 1 1 374.466 3.178 20 5 FGBDMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000193880323 497509740 /nfs/dbraw/zinc/50/97/40/497509740.db2.gz JIRMNIDNALENKO-MRXNPFEDSA-N 1 1 354.410 3.238 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000245904565 497565146 /nfs/dbraw/zinc/56/51/46/497565146.db2.gz SUIDXSJOLMITRE-HIFRSBDPSA-N 1 1 363.483 3.404 20 5 FGBDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000267580812 497582619 /nfs/dbraw/zinc/58/26/19/497582619.db2.gz GEOJQSYBTNMYGL-KBPBESRZSA-N 1 1 374.441 3.253 20 5 FGBDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000267580812 497582623 /nfs/dbraw/zinc/58/26/23/497582623.db2.gz GEOJQSYBTNMYGL-KBPBESRZSA-N 1 1 374.441 3.253 20 5 FGBDMO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000272494504 497644016 /nfs/dbraw/zinc/64/40/16/497644016.db2.gz HRHXZHRWYMZBOP-LSDHHAIUSA-N 1 1 361.442 3.027 20 5 FGBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000272494504 497644022 /nfs/dbraw/zinc/64/40/22/497644022.db2.gz HRHXZHRWYMZBOP-LSDHHAIUSA-N 1 1 361.442 3.027 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000272498969 497645091 /nfs/dbraw/zinc/64/50/91/497645091.db2.gz GMCZYONCACKSOP-DOTOQJQBSA-N 1 1 356.426 3.109 20 5 FGBDMO CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000272540144 497655677 /nfs/dbraw/zinc/65/56/77/497655677.db2.gz OWKJFPKXHPFSSW-RYQLBKOJSA-N 1 1 358.442 3.211 20 5 FGBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000272574780 497666829 /nfs/dbraw/zinc/66/68/29/497666829.db2.gz VOJVYGKHTUYJKE-DGCLKSJQSA-N 1 1 355.460 3.391 20 5 FGBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000272574780 497666836 /nfs/dbraw/zinc/66/68/36/497666836.db2.gz VOJVYGKHTUYJKE-DGCLKSJQSA-N 1 1 355.460 3.391 20 5 FGBDMO C[C@@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272736631 497716976 /nfs/dbraw/zinc/71/69/76/497716976.db2.gz LPSVAYZIRMBPCG-NVXWUHKLSA-N 1 1 374.485 3.090 20 5 FGBDMO COc1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000272810470 497735860 /nfs/dbraw/zinc/73/58/60/497735860.db2.gz JDYOVFCXUMGSEQ-CJNGLKHVSA-N 1 1 374.441 3.084 20 5 FGBDMO C[N@H+]1CCC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)[C@H]1c1cccs1 ZINC000246464750 497743809 /nfs/dbraw/zinc/74/38/09/497743809.db2.gz NMODPNHMKVWRST-PXAZEXFGSA-N 1 1 374.466 3.051 20 5 FGBDMO CC[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000272896338 497755869 /nfs/dbraw/zinc/75/58/69/497755869.db2.gz YSABASUMODQWFV-LRDDRELGSA-N 1 1 363.439 3.044 20 5 FGBDMO COc1cc(C(=O)N2CC[N@H+](C)Cc3ccccc32)cc([N+](=O)[O-])c1C ZINC000191253726 497759022 /nfs/dbraw/zinc/75/90/22/497759022.db2.gz AJPOHLJBWKFSBY-UHFFFAOYSA-N 1 1 355.394 3.004 20 5 FGBDMO COc1cc(C(=O)N2CC[N@@H+](C)Cc3ccccc32)cc([N+](=O)[O-])c1C ZINC000191253726 497759026 /nfs/dbraw/zinc/75/90/26/497759026.db2.gz AJPOHLJBWKFSBY-UHFFFAOYSA-N 1 1 355.394 3.004 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000194834369 497785924 /nfs/dbraw/zinc/78/59/24/497785924.db2.gz QUAFFKJIOPDAOR-WBVHZDCISA-N 1 1 353.422 3.296 20 5 FGBDMO C[C@@H]1OCC[C@@]12C[N@H+](Cc1cc(=O)oc3ccc4ccccc4c13)CCO2 ZINC000280561357 497790271 /nfs/dbraw/zinc/79/02/71/497790271.db2.gz UYHOFNSZDCQRFA-OYHNWAKOSA-N 1 1 365.429 3.326 20 5 FGBDMO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cc(=O)oc3ccc4ccccc4c13)CCO2 ZINC000280561357 497790274 /nfs/dbraw/zinc/79/02/74/497790274.db2.gz UYHOFNSZDCQRFA-OYHNWAKOSA-N 1 1 365.429 3.326 20 5 FGBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000246675339 497798127 /nfs/dbraw/zinc/79/81/27/497798127.db2.gz ILXXQJXNPFMNRI-OLZOCXBDSA-N 1 1 353.850 3.027 20 5 FGBDMO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000284683728 497865275 /nfs/dbraw/zinc/86/52/75/497865275.db2.gz HELMSDVPRJDOLG-GFCCVEGCSA-N 1 1 366.414 3.378 20 5 FGBDMO Cc1c(NC(=O)CC[N@@H+](C)C2CCN(C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000299651093 497881846 /nfs/dbraw/zinc/88/18/46/497881846.db2.gz ZXFDKARYGJFLCJ-UHFFFAOYSA-N 1 1 362.474 3.036 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+](C)C2CCN(C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000299651093 497881849 /nfs/dbraw/zinc/88/18/49/497881849.db2.gz ZXFDKARYGJFLCJ-UHFFFAOYSA-N 1 1 362.474 3.036 20 5 FGBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000280763109 497888935 /nfs/dbraw/zinc/88/89/35/497888935.db2.gz BEJOWVXWWZPMES-DLBZAZTESA-N 1 1 366.421 3.013 20 5 FGBDMO CC(=O)c1cccc(NC(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000292167750 497907281 /nfs/dbraw/zinc/90/72/81/497907281.db2.gz PHEPTZGDKMYCAS-UHFFFAOYSA-N 1 1 355.394 3.261 20 5 FGBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](Cc3c(C4CC4)nc4sccn34)C2)c1 ZINC000364341196 497907836 /nfs/dbraw/zinc/90/78/36/497907836.db2.gz TXOARXRBEXZZQJ-ZDUSSCGKSA-N 1 1 372.454 3.215 20 5 FGBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3c(C4CC4)nc4sccn34)C2)c1 ZINC000364341196 497907843 /nfs/dbraw/zinc/90/78/43/497907843.db2.gz TXOARXRBEXZZQJ-ZDUSSCGKSA-N 1 1 372.454 3.215 20 5 FGBDMO COCC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCc2cccnc21 ZINC000364343029 497909492 /nfs/dbraw/zinc/90/94/92/497909492.db2.gz WOIOWTTWYRQHFC-OALUTQOASA-N 1 1 371.437 3.049 20 5 FGBDMO C[C@@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000301267574 498029838 /nfs/dbraw/zinc/02/98/38/498029838.db2.gz PXWDJDYPISFZML-ZDUSSCGKSA-N 1 1 367.409 3.176 20 5 FGBDMO O=[N+]([O-])c1cnc(NCc2cccc(C[NH+]3CCOCC3)c2)c(Cl)c1 ZINC000301289610 498040290 /nfs/dbraw/zinc/04/02/90/498040290.db2.gz SSBRGHMWTPDLEY-UHFFFAOYSA-N 1 1 362.817 3.088 20 5 FGBDMO C[N@H+]1CC[C@@H](CNC(=O)c2csc([N+](=O)[O-])c2)[C@@H]1c1cccs1 ZINC000364633157 498059914 /nfs/dbraw/zinc/05/99/14/498059914.db2.gz JQMDVEWUDOHFFT-IINYFYTJSA-N 1 1 351.453 3.141 20 5 FGBDMO CC(C)n1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC000581411736 505982557 /nfs/dbraw/zinc/98/25/57/505982557.db2.gz SSZVUXFZZPTVHU-KRWDZBQOSA-N 1 1 370.457 3.109 20 5 FGBDMO CCN1CC[NH+](Cc2ccccc2CNc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000301497322 498136454 /nfs/dbraw/zinc/13/64/54/498136454.db2.gz BRRNGIHTBWBYDN-UHFFFAOYSA-N 1 1 372.444 3.484 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000296743573 498178226 /nfs/dbraw/zinc/17/82/26/498178226.db2.gz PAKMVTIXKSBCSX-ZIAGYGMSSA-N 1 1 371.441 3.122 20 5 FGBDMO COc1cc(NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)ccc1[N+](=O)[O-] ZINC000578688452 505997114 /nfs/dbraw/zinc/99/71/14/505997114.db2.gz ZRKGBPPQGWEABV-OAHLLOKOSA-N 1 1 371.437 3.436 20 5 FGBDMO COc1cc(NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)ccc1[N+](=O)[O-] ZINC000578688452 505997115 /nfs/dbraw/zinc/99/71/15/505997115.db2.gz ZRKGBPPQGWEABV-OAHLLOKOSA-N 1 1 371.437 3.436 20 5 FGBDMO Cn1cc[nH+]c1C[C@H]1CCCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000301735935 498244101 /nfs/dbraw/zinc/24/41/01/498244101.db2.gz ZZNCFZQSCUPJRF-CQSZACIVSA-N 1 1 351.410 3.336 20 5 FGBDMO CC(=O)c1ccc(Nc2ccc(N3CCOCC3)[nH+]c2C)c([N+](=O)[O-])c1 ZINC000301736773 498244775 /nfs/dbraw/zinc/24/47/75/498244775.db2.gz BOSJIHQMLRZMHD-UHFFFAOYSA-N 1 1 356.382 3.081 20 5 FGBDMO Cn1cc[nH+]c1C[C@H]1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000365030154 498263465 /nfs/dbraw/zinc/26/34/65/498263465.db2.gz VSBCCYIKKDDSAQ-CQSZACIVSA-N 1 1 351.410 3.336 20 5 FGBDMO CCOC(=O)c1ccnc(N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000301848134 498292090 /nfs/dbraw/zinc/29/20/90/498292090.db2.gz VGYDDJFJNSSDLE-HOTGVXAUSA-N 1 1 370.409 3.024 20 5 FGBDMO CN(C(=O)Nc1cccc([N+](=O)[O-])c1Cl)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289789992 498294035 /nfs/dbraw/zinc/29/40/35/498294035.db2.gz UEJXGGIINJYTGZ-FOSCPWQOSA-N 1 1 352.822 3.337 20 5 FGBDMO CC(C)(C)Oc1cc(N2CC[NH+](Cc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000301879740 498307942 /nfs/dbraw/zinc/30/79/42/498307942.db2.gz LMZYJIVWNJDSRF-UHFFFAOYSA-N 1 1 370.453 3.489 20 5 FGBDMO Nc1c(F)c(N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)ccc1[N+](=O)[O-] ZINC000281903821 498312538 /nfs/dbraw/zinc/31/25/38/498312538.db2.gz MWSOLBNMJOWKQV-GFCCVEGCSA-N 1 1 359.405 3.233 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000286271510 498346358 /nfs/dbraw/zinc/34/63/58/498346358.db2.gz OKPWXTIDUDDKJB-LJQANCHMSA-N 1 1 371.462 3.395 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)c(N2CC[C@@H](C[NH+]3CCOCC3)C2)c(Cl)c1 ZINC000302010638 498366499 /nfs/dbraw/zinc/36/64/99/498366499.db2.gz CFMLIYJQEIRPML-NSHDSACASA-N 1 1 360.241 3.060 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000361418824 498389295 /nfs/dbraw/zinc/38/92/95/498389295.db2.gz UOGMIAAWFPERJH-SFHVURJKSA-N 1 1 367.449 3.497 20 5 FGBDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000361672858 498417116 /nfs/dbraw/zinc/41/71/16/498417116.db2.gz YRNSUJDIXKOVQD-HKUYNNGSSA-N 1 1 366.421 3.055 20 5 FGBDMO CC[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000302217004 498446813 /nfs/dbraw/zinc/44/68/13/498446813.db2.gz JYIREYASCQTQMZ-CABCVRRESA-N 1 1 365.796 3.425 20 5 FGBDMO CC[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000302217004 498446817 /nfs/dbraw/zinc/44/68/17/498446817.db2.gz JYIREYASCQTQMZ-CABCVRRESA-N 1 1 365.796 3.425 20 5 FGBDMO C[C@@H]1C[NH+](C[C@@H]2CCCN2c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000302739679 498554811 /nfs/dbraw/zinc/55/48/11/498554811.db2.gz CGZZOBPJOBASIK-NFAWXSAZSA-N 1 1 353.850 3.326 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000365676437 498593761 /nfs/dbraw/zinc/59/37/61/498593761.db2.gz MWNJQOPFODPFRW-SUMWQHHRSA-N 1 1 359.451 3.388 20 5 FGBDMO COCc1nccc([C@@H]2CCC[N@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000363036184 498614708 /nfs/dbraw/zinc/61/47/08/498614708.db2.gz CYZOQRJXUHCCRE-GOEBONIOSA-N 1 1 356.426 3.472 20 5 FGBDMO CC1(C)C[C@H](O)CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000332241918 498616521 /nfs/dbraw/zinc/61/65/21/498616521.db2.gz VHQHEGVMANBPAW-CYBMUJFWSA-N 1 1 357.248 3.340 20 5 FGBDMO CC1(C)C[C@H](O)CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000332241918 498616527 /nfs/dbraw/zinc/61/65/27/498616527.db2.gz VHQHEGVMANBPAW-CYBMUJFWSA-N 1 1 357.248 3.340 20 5 FGBDMO O=C(c1cccc([N+](=O)[O-])c1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000365746983 498623176 /nfs/dbraw/zinc/62/31/76/498623176.db2.gz OVDLNLXAOKMIKJ-MOPGFXCFSA-N 1 1 365.433 3.189 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000332299463 498640380 /nfs/dbraw/zinc/64/03/80/498640380.db2.gz UZUMZGNHXPPWTD-JKSUJKDBSA-N 1 1 363.483 3.452 20 5 FGBDMO Cc1cccnc1NC(=O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000365790543 498641394 /nfs/dbraw/zinc/64/13/94/498641394.db2.gz JIKSJJGJUGVCJA-AWEZNQCLSA-N 1 1 372.400 3.288 20 5 FGBDMO Cc1cccnc1NC(=O)[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000365790543 498641400 /nfs/dbraw/zinc/64/14/00/498641400.db2.gz JIKSJJGJUGVCJA-AWEZNQCLSA-N 1 1 372.400 3.288 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cc(F)c2F)[C@H]1c1ccccc1 ZINC000363163005 498681659 /nfs/dbraw/zinc/68/16/59/498681659.db2.gz RCKSWSFBFJOBFD-DOTOQJQBSA-N 1 1 361.348 3.048 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@H](c3cc(C)n[nH]3)C2)c([N+](=O)[O-])cc1OC ZINC000283008683 498744675 /nfs/dbraw/zinc/74/46/75/498744675.db2.gz LGQQYPNOUPWFQE-ZDUSSCGKSA-N 1 1 360.414 3.023 20 5 FGBDMO COc1cc(C[N@@H+]2CCC[C@H](c3cc(C)[nH]n3)C2)c([N+](=O)[O-])cc1OC ZINC000283008683 498744680 /nfs/dbraw/zinc/74/46/80/498744680.db2.gz LGQQYPNOUPWFQE-ZDUSSCGKSA-N 1 1 360.414 3.023 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@H](c3cc(C)[nH]n3)C2)c([N+](=O)[O-])cc1OC ZINC000283008683 498744687 /nfs/dbraw/zinc/74/46/87/498744687.db2.gz LGQQYPNOUPWFQE-ZDUSSCGKSA-N 1 1 360.414 3.023 20 5 FGBDMO Cc1nc([C@@H]2CCCN2CCn2ccc([N+](=O)[O-])n2)[nH]c1-c1ccccc1 ZINC000363309651 498755305 /nfs/dbraw/zinc/75/53/05/498755305.db2.gz WPPBPPLCVRFCLS-INIZCTEOSA-N 1 1 366.425 3.327 20 5 FGBDMO Cc1[nH]c([C@@H]2CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)nc1-c1ccccc1 ZINC000363309651 498755310 /nfs/dbraw/zinc/75/53/10/498755310.db2.gz WPPBPPLCVRFCLS-INIZCTEOSA-N 1 1 366.425 3.327 20 5 FGBDMO Cc1[nH]c([C@@H]2CCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)nc1-c1ccccc1 ZINC000363309651 498755316 /nfs/dbraw/zinc/75/53/16/498755316.db2.gz WPPBPPLCVRFCLS-INIZCTEOSA-N 1 1 366.425 3.327 20 5 FGBDMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000576165254 506091998 /nfs/dbraw/zinc/09/19/98/506091998.db2.gz GPCDWHJOMGSZMA-GDIGMMSISA-N 1 1 353.422 3.260 20 5 FGBDMO C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000295226102 498947997 /nfs/dbraw/zinc/94/79/97/498947997.db2.gz BBHOLEMUIQKEQT-LLVKDONJSA-N 1 1 371.359 3.170 20 5 FGBDMO C[NH+](C)[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)c1ccco1 ZINC000284017462 499031111 /nfs/dbraw/zinc/03/11/11/499031111.db2.gz OEPSEDFJWYALHC-GFCCVEGCSA-N 1 1 352.778 3.266 20 5 FGBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC)C1 ZINC000284091852 499047200 /nfs/dbraw/zinc/04/72/00/499047200.db2.gz SRFQAYYNYNMUIY-HNNXBMFYSA-N 1 1 372.473 3.041 20 5 FGBDMO C[C@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000570269719 506129524 /nfs/dbraw/zinc/12/95/24/506129524.db2.gz FAMADWPCFMVTET-JXFKEZNVSA-N 1 1 367.449 3.479 20 5 FGBDMO CC(=O)NCc1ccc([C@H]2CCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)o1 ZINC000364059674 499103264 /nfs/dbraw/zinc/10/32/64/499103264.db2.gz YITKXOLMMIPDOG-GOSISDBHSA-N 1 1 357.410 3.204 20 5 FGBDMO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000372478792 499132700 /nfs/dbraw/zinc/13/27/00/499132700.db2.gz WOWIGHQVOXRSAX-GFCCVEGCSA-N 1 1 372.347 3.316 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(Nc2cccc(C)[nH+]2)CC1 ZINC000372861597 499186113 /nfs/dbraw/zinc/18/61/13/499186113.db2.gz NHEIEKNPIVFAPN-UHFFFAOYSA-N 1 1 370.409 3.024 20 5 FGBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000367393061 499193766 /nfs/dbraw/zinc/19/37/66/499193766.db2.gz YCTKHCPSPVMKEX-OAHLLOKOSA-N 1 1 357.454 3.498 20 5 FGBDMO CC(C)c1ccc(C[N@H+]2CCC[C@@H]2[C@H]2COCC[C@]2(C)O)cc1[N+](=O)[O-] ZINC000367471270 499203197 /nfs/dbraw/zinc/20/31/97/499203197.db2.gz OHJOCQLBAQRFGG-GGPKGHCWSA-N 1 1 362.470 3.470 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc([C@H]3C[N@@H+](C4CCCCC4)CCO3)no2)s1 ZINC000367927646 499246430 /nfs/dbraw/zinc/24/64/30/499246430.db2.gz JIBPEHJRTLVHJN-GFCCVEGCSA-N 1 1 364.427 3.412 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc([C@H]3C[N@H+](C4CCCCC4)CCO3)no2)s1 ZINC000367927646 499246432 /nfs/dbraw/zinc/24/64/32/499246432.db2.gz JIBPEHJRTLVHJN-GFCCVEGCSA-N 1 1 364.427 3.412 20 5 FGBDMO O=C(Nc1cccnc1)C1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000370755054 499251754 /nfs/dbraw/zinc/25/17/54/499251754.db2.gz VHZCLEKWHVNOJI-UHFFFAOYSA-N 1 1 374.828 3.494 20 5 FGBDMO Cc1[nH+]c(CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c2n1CCCC2 ZINC000371311165 499308649 /nfs/dbraw/zinc/30/86/49/499308649.db2.gz SVTFPUWTSLHQDQ-LBPRGKRZSA-N 1 1 374.466 3.233 20 5 FGBDMO Cc1[nH+]c(CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c2n1CCCC2 ZINC000371311164 499308874 /nfs/dbraw/zinc/30/88/74/499308874.db2.gz SVTFPUWTSLHQDQ-GFCCVEGCSA-N 1 1 374.466 3.233 20 5 FGBDMO C[N@@H+](C[C@@H]1CC12CCN(C(=O)c1cc(F)ccc1[N+](=O)[O-])CC2)C1CC1 ZINC000371316397 499309327 /nfs/dbraw/zinc/30/93/27/499309327.db2.gz DONGRUTTZVJUMN-ZDUSSCGKSA-N 1 1 361.417 3.070 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H](Cc3ccncc3)C2)cccc1[N+](=O)[O-] ZINC000368765700 499329769 /nfs/dbraw/zinc/32/97/69/499329769.db2.gz QPGHMSBRELCJEZ-DOTOQJQBSA-N 1 1 368.437 3.190 20 5 FGBDMO COCC[C@H]1CCCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000368764659 499329827 /nfs/dbraw/zinc/32/98/27/499329827.db2.gz IMDBCWWEAZLJFJ-CYBMUJFWSA-N 1 1 369.849 3.325 20 5 FGBDMO COCC[C@H]1CCCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000368764659 499329829 /nfs/dbraw/zinc/32/98/29/499329829.db2.gz IMDBCWWEAZLJFJ-CYBMUJFWSA-N 1 1 369.849 3.325 20 5 FGBDMO Cc1cccc(NC2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3C)CC2)[nH+]1 ZINC000372182051 499406253 /nfs/dbraw/zinc/40/62/53/499406253.db2.gz ULPJVLDTCHJGOM-UHFFFAOYSA-N 1 1 368.437 3.252 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@]3(CCCCO3)C2)cccc1[N+](=O)[O-] ZINC000373183692 499455962 /nfs/dbraw/zinc/45/59/62/499455962.db2.gz SKJKKQZEEIBIOC-LJQANCHMSA-N 1 1 361.442 3.267 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375283713 499503030 /nfs/dbraw/zinc/50/30/30/499503030.db2.gz FVQKLERIBMEFHI-YVEFUNNKSA-N 1 1 367.833 3.078 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375283713 499503032 /nfs/dbraw/zinc/50/30/32/499503032.db2.gz FVQKLERIBMEFHI-YVEFUNNKSA-N 1 1 367.833 3.078 20 5 FGBDMO C[C@H]1C[C@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000379678045 499542507 /nfs/dbraw/zinc/54/25/07/499542507.db2.gz DYDWPIBCDNHOJM-GOEBONIOSA-N 1 1 365.437 3.358 20 5 FGBDMO C[C@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000396426245 499563435 /nfs/dbraw/zinc/56/34/35/499563435.db2.gz GTONLXCBFIWFLE-AWEZNQCLSA-N 1 1 357.385 3.080 20 5 FGBDMO C[C@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000396426245 499563436 /nfs/dbraw/zinc/56/34/36/499563436.db2.gz GTONLXCBFIWFLE-AWEZNQCLSA-N 1 1 357.385 3.080 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](Cc3ccncc3)C2)cccc1[N+](=O)[O-] ZINC000375872392 499563771 /nfs/dbraw/zinc/56/37/71/499563771.db2.gz MZFOWJSFFHXQFC-KRWDZBQOSA-N 1 1 368.437 3.191 20 5 FGBDMO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000408276804 499582903 /nfs/dbraw/zinc/58/29/03/499582903.db2.gz LKLYRRAZCDLSFC-YVEFUNNKSA-N 1 1 362.405 3.215 20 5 FGBDMO O=[N+]([O-])c1ccc2c(c1NC[C@H]1CCC[N@@H+](Cc3cccnc3)C1)CCN2 ZINC000376429901 499608107 /nfs/dbraw/zinc/60/81/07/499608107.db2.gz VWIMFTWMRUGSLU-MRXNPFEDSA-N 1 1 367.453 3.282 20 5 FGBDMO O=C([C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1)N1CCCC1 ZINC000376506580 499613630 /nfs/dbraw/zinc/61/36/30/499613630.db2.gz LWDRBNWNJBJGIX-CYBMUJFWSA-N 1 1 371.359 3.058 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2nc(CN[C@H]3CC[N@H+]4CCC[C@H]4C3)cs2)c1 ZINC000377642239 499714425 /nfs/dbraw/zinc/71/44/25/499714425.db2.gz BHQBYAYRVJCOJO-HOCLYGCPSA-N 1 1 358.467 3.435 20 5 FGBDMO CC(C)[C@@]1(CO)CC[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000377684508 499719461 /nfs/dbraw/zinc/71/94/61/499719461.db2.gz WTVSAMIPDZOFPG-UGSOOPFHSA-N 1 1 360.414 3.046 20 5 FGBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000411589562 499766598 /nfs/dbraw/zinc/76/65/98/499766598.db2.gz IEJSVFWVEYNQHI-FHLIZLRMSA-N 1 1 359.470 3.325 20 5 FGBDMO COc1ccc(NC(=O)CC[N@H+]2CC(C)(C)[C@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000411770939 499788931 /nfs/dbraw/zinc/78/89/31/499788931.db2.gz NXPSEOGNRDABJA-HOCLYGCPSA-N 1 1 361.442 3.443 20 5 FGBDMO COc1ccc(NC(=O)CCn2c[nH+]c3c2C[C@H](C)[C@H](C)C3)c([N+](=O)[O-])c1 ZINC000411804564 499792710 /nfs/dbraw/zinc/79/27/10/499792710.db2.gz XAXXPQANBOYFIW-OLZOCXBDSA-N 1 1 372.425 3.200 20 5 FGBDMO CC[N@@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)C1CC(C)(C)C1 ZINC000414533832 499804176 /nfs/dbraw/zinc/80/41/76/499804176.db2.gz IVRRPRDVMDSXAZ-UHFFFAOYSA-N 1 1 350.415 3.157 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000411953505 499806108 /nfs/dbraw/zinc/80/61/08/499806108.db2.gz UIGDBBUDOMJZQP-MJGOQNOKSA-N 1 1 369.421 3.040 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+]3CCC[C@H](CO)[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000414560108 499808923 /nfs/dbraw/zinc/80/89/23/499808923.db2.gz AGDPAWMNOWFUBL-ZIAGYGMSSA-N 1 1 360.410 3.456 20 5 FGBDMO COc1ccc(-c2ccc(CN3CC[C@@H](C)[C@H](C[NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000415123747 499866890 /nfs/dbraw/zinc/86/68/90/499866890.db2.gz JOOSXNRBHGMQOI-ZIAGYGMSSA-N 1 1 359.426 3.280 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)o1 ZINC000573297589 506164225 /nfs/dbraw/zinc/16/42/25/506164225.db2.gz ANDDZZXKJSVQAT-ZDUSSCGKSA-N 1 1 355.354 3.012 20 5 FGBDMO O=[N+]([O-])c1cnc(N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c(F)c1 ZINC000413035235 499905869 /nfs/dbraw/zinc/90/58/69/499905869.db2.gz NSUBUSGFPGTJPB-UHFFFAOYSA-N 1 1 364.808 3.495 20 5 FGBDMO O=[N+]([O-])c1cnc(N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c(F)c1 ZINC000413035235 499905870 /nfs/dbraw/zinc/90/58/70/499905870.db2.gz NSUBUSGFPGTJPB-UHFFFAOYSA-N 1 1 364.808 3.495 20 5 FGBDMO Cc1noc(C)c1C[NH+]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413086542 499911674 /nfs/dbraw/zinc/91/16/74/499911674.db2.gz CWBPLOPXSSTTOF-UHFFFAOYSA-N 1 1 367.409 3.070 20 5 FGBDMO CCOCC[N@H+]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)C[C@@H]1CC ZINC000413136062 499918146 /nfs/dbraw/zinc/91/81/46/499918146.db2.gz SHFYRTXQXDUGOY-HNNXBMFYSA-N 1 1 358.442 3.080 20 5 FGBDMO Nc1ccc(N2CCN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])CC2)c[nH+]1 ZINC000429200095 500022968 /nfs/dbraw/zinc/02/29/68/500022968.db2.gz BDENDSFSKHMBEV-UHFFFAOYSA-N 1 1 368.224 3.036 20 5 FGBDMO Cn1nc(C(C)(C)C)cc1NC(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429247297 500033547 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COc1ccc(OCC[N@@H+](C)CCOc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000441246319 501108269 /nfs/dbraw/zinc/10/82/69/501108269.db2.gz HLQMJQZDIVWHAC-UHFFFAOYSA-N 1 1 360.410 3.301 20 5 FGBDMO COc1ccc(OCC[N@@H+](C)CCc2ccccc2OC)c([N+](=O)[O-])c1 ZINC000441493050 501148223 /nfs/dbraw/zinc/14/82/23/501148223.db2.gz SOAJXIIZIYPFBB-UHFFFAOYSA-N 1 1 360.410 3.165 20 5 FGBDMO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446840275 501171365 /nfs/dbraw/zinc/17/13/65/501171365.db2.gz YDFWCRSVKRQOBU-LIRRHRJNSA-N 1 1 365.437 3.081 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446840275 501171368 /nfs/dbraw/zinc/17/13/68/501171368.db2.gz YDFWCRSVKRQOBU-LIRRHRJNSA-N 1 1 365.437 3.081 20 5 FGBDMO Cc1cc(C(F)(F)F)cc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)[nH+]1 ZINC000596073283 506241812 /nfs/dbraw/zinc/24/18/12/506241812.db2.gz JLNSUAOOZPKWEB-UHFFFAOYSA-N 1 1 367.331 3.039 20 5 FGBDMO CC(C)(C)c1cn2c([nH+]1)CC[C@H](Nc1nccc3cc([N+](=O)[O-])ccc31)C2 ZINC000450297573 501228514 /nfs/dbraw/zinc/22/85/14/501228514.db2.gz JEFRHKVJPMVESC-AWEZNQCLSA-N 1 1 365.437 3.486 20 5 FGBDMO O=C(NC[C@H]1CCCC[N@H+]1C1CC1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000451204436 501251862 /nfs/dbraw/zinc/25/18/62/501251862.db2.gz UHIIDUFFTARCEJ-CYBMUJFWSA-N 1 1 371.359 3.360 20 5 FGBDMO COc1c(C)c[nH+]c(CN(C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1C ZINC000451380712 501280094 /nfs/dbraw/zinc/28/00/94/501280094.db2.gz YEXUFHWFLUUGIH-AWEZNQCLSA-N 1 1 372.425 3.074 20 5 FGBDMO CCc1[nH+]ccn1[C@H](C)CC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000592788932 506244453 /nfs/dbraw/zinc/24/44/53/506244453.db2.gz PIJDZWGABOVXDE-GFCCVEGCSA-N 1 1 364.833 3.317 20 5 FGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](c3cccc(Br)c3)C2)n1 ZINC000451575681 501328367 /nfs/dbraw/zinc/32/83/67/501328367.db2.gz YHUWUIBWSYTVDV-CYBMUJFWSA-N 1 1 365.231 3.043 20 5 FGBDMO C[N@H+]1CCC[C@@H](CCNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000458219996 501396124 /nfs/dbraw/zinc/39/61/24/501396124.db2.gz YFPQKLCERIZBFQ-NSHDSACASA-N 1 1 359.348 3.075 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@]4(CCSC4)C3)o2)cc1 ZINC000451954744 501407102 /nfs/dbraw/zinc/40/71/02/501407102.db2.gz AAYCLTYTIPQZDT-KRWDZBQOSA-N 1 1 360.439 3.364 20 5 FGBDMO Cc1ccc(C[N@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cc1C ZINC000452039343 501423184 /nfs/dbraw/zinc/42/31/84/501423184.db2.gz GRONMQJTHBLBTI-UHFFFAOYSA-N 1 1 371.393 3.011 20 5 FGBDMO Cc1ccc(C[N@@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cc1C ZINC000452039343 501423186 /nfs/dbraw/zinc/42/31/86/501423186.db2.gz GRONMQJTHBLBTI-UHFFFAOYSA-N 1 1 371.393 3.011 20 5 FGBDMO COC[C@@H]1CCC[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000452110731 501437163 /nfs/dbraw/zinc/43/71/63/501437163.db2.gz ZNJCNXDFTXQVDZ-ZIAGYGMSSA-N 1 1 360.414 3.454 20 5 FGBDMO C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C[N@H+]1C1CC1 ZINC000454651931 501601850 /nfs/dbraw/zinc/60/18/50/501601850.db2.gz HBMQJJYAEXHTRN-OIISXLGYSA-N 1 1 372.469 3.109 20 5 FGBDMO CC1=CC[N@@H+](CCNC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000454790053 501630175 /nfs/dbraw/zinc/63/01/75/501630175.db2.gz QRJVYUNEHFGZOV-GOSISDBHSA-N 1 1 372.469 3.136 20 5 FGBDMO C[C@@H]([NH2+][C@@H](C)c1nc2c(s1)CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000459631651 501690017 /nfs/dbraw/zinc/69/00/17/501690017.db2.gz JATQIYNWVWRKTI-MNOVXSKESA-N 1 1 360.439 3.218 20 5 FGBDMO COc1c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000474200458 501741381 /nfs/dbraw/zinc/74/13/81/501741381.db2.gz VIWUYQWVCQZHID-INIZCTEOSA-N 1 1 373.409 3.153 20 5 FGBDMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467221085 501743259 /nfs/dbraw/zinc/74/32/59/501743259.db2.gz ZIRZEVFSTVHVTO-DOMZBBRYSA-N 1 1 366.849 3.016 20 5 FGBDMO Cc1c(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000481461921 501782233 /nfs/dbraw/zinc/78/22/33/501782233.db2.gz CKULMROJPOILCA-LJQANCHMSA-N 1 1 371.412 3.323 20 5 FGBDMO Cc1c(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000481461921 501782237 /nfs/dbraw/zinc/78/22/37/501782237.db2.gz CKULMROJPOILCA-LJQANCHMSA-N 1 1 371.412 3.323 20 5 FGBDMO COC(=O)COc1ccc(C[NH2+][C@H]2CSc3ccccc32)cc1[N+](=O)[O-] ZINC000474373917 501810343 /nfs/dbraw/zinc/81/03/43/501810343.db2.gz ODJHOBDHBUITGB-AWEZNQCLSA-N 1 1 374.418 3.083 20 5 FGBDMO COC(=O)c1c(Cl)c(NCCCCn2cc[nH+]c2C)ccc1[N+](=O)[O-] ZINC000596137097 506275009 /nfs/dbraw/zinc/27/50/09/506275009.db2.gz QQZZNFGMCKLXLJ-UHFFFAOYSA-N 1 1 366.805 3.432 20 5 FGBDMO CCC1(CC)[C@H]([N@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@@H]1OC ZINC000485756964 501925874 /nfs/dbraw/zinc/92/58/74/501925874.db2.gz GZOLSTVYMOTELI-CVEARBPZSA-N 1 1 363.458 3.367 20 5 FGBDMO CCC1(CC)[C@H]([N@@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@@H]1OC ZINC000485756964 501925878 /nfs/dbraw/zinc/92/58/78/501925878.db2.gz GZOLSTVYMOTELI-CVEARBPZSA-N 1 1 363.458 3.367 20 5 FGBDMO COc1cc(CN2CC[NH+](C/C=C\c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000485774295 501931237 /nfs/dbraw/zinc/93/12/37/501931237.db2.gz QYTVTKWKCYXJSL-YVMONPNESA-N 1 1 367.449 3.434 20 5 FGBDMO CC(C)[C@@H]1CN(C)CC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000471209717 501956586 /nfs/dbraw/zinc/95/65/86/501956586.db2.gz DVLTYZDZECWWPX-KRWDZBQOSA-N 1 1 358.442 3.064 20 5 FGBDMO CC(C)[C@@H]1C[N@H+](C)CCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000471209717 501956588 /nfs/dbraw/zinc/95/65/88/501956588.db2.gz DVLTYZDZECWWPX-KRWDZBQOSA-N 1 1 358.442 3.064 20 5 FGBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000471209717 501956594 /nfs/dbraw/zinc/95/65/94/501956594.db2.gz DVLTYZDZECWWPX-KRWDZBQOSA-N 1 1 358.442 3.064 20 5 FGBDMO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000485859639 501964213 /nfs/dbraw/zinc/96/42/13/501964213.db2.gz AKJWXVIARXNSRY-CYBMUJFWSA-N 1 1 374.441 3.027 20 5 FGBDMO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000485859639 501964220 /nfs/dbraw/zinc/96/42/20/501964220.db2.gz AKJWXVIARXNSRY-CYBMUJFWSA-N 1 1 374.441 3.027 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000468485069 502075629 /nfs/dbraw/zinc/07/56/29/502075629.db2.gz XCYMILWVJJCRKP-AEFFLSMTSA-N 1 1 361.486 3.400 20 5 FGBDMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)c1 ZINC000471592212 502078029 /nfs/dbraw/zinc/07/80/29/502078029.db2.gz CUGGQBKJHMARSP-UHFFFAOYSA-N 1 1 358.442 3.475 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000475157337 502085553 /nfs/dbraw/zinc/08/55/53/502085553.db2.gz PKNRBSNPRFFURM-RDBSUJKOSA-N 1 1 350.415 3.013 20 5 FGBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475237700 502106789 /nfs/dbraw/zinc/10/67/89/502106789.db2.gz SKYXWURXFMFSPV-CQSZACIVSA-N 1 1 374.363 3.418 20 5 FGBDMO CO[C@]1(C)C[C@H]([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1(C)C ZINC000464827303 502108674 /nfs/dbraw/zinc/10/86/74/502108674.db2.gz HBURJQIORSHENM-QFBILLFUSA-N 1 1 363.458 3.367 20 5 FGBDMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1F ZINC000478896569 502115158 /nfs/dbraw/zinc/11/51/58/502115158.db2.gz ZJTMAESRLRSQBV-HNNXBMFYSA-N 1 1 372.400 3.378 20 5 FGBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000461544200 502141462 /nfs/dbraw/zinc/14/14/62/502141462.db2.gz IAQNXPSIRMVUIE-UONOGXRCSA-N 1 1 353.488 3.312 20 5 FGBDMO CCN1CC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C[C@@H]1c1ncc[nH]1 ZINC000475349817 502144600 /nfs/dbraw/zinc/14/46/00/502144600.db2.gz OICFBIJBLLHVJV-VHUCWBOISA-N 1 1 355.442 3.100 20 5 FGBDMO CCN1CC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C[C@@H]1c1ncc[nH]1 ZINC000475349817 502144602 /nfs/dbraw/zinc/14/46/02/502144602.db2.gz OICFBIJBLLHVJV-VHUCWBOISA-N 1 1 355.442 3.100 20 5 FGBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000461637314 502160226 /nfs/dbraw/zinc/16/02/26/502160226.db2.gz NXFUIDQWFFAAHR-NSHDSACASA-N 1 1 372.263 3.208 20 5 FGBDMO Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000475424025 502167641 /nfs/dbraw/zinc/16/76/41/502167641.db2.gz RYWXSRDSTXQZHM-GOSISDBHSA-N 1 1 353.422 3.250 20 5 FGBDMO C[N@H+]1CCCC12CCN(c1c(Br)cccc1[N+](=O)[O-])CC2 ZINC000596182402 506298236 /nfs/dbraw/zinc/29/82/36/506298236.db2.gz OEELTWIMMVOJND-UHFFFAOYSA-N 1 1 354.248 3.422 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CCC3(C2)CCCCC3)cc1[N+](=O)[O-] ZINC000475698937 502257017 /nfs/dbraw/zinc/25/70/17/502257017.db2.gz GNEWASPTELUPPW-UHFFFAOYSA-N 1 1 362.426 3.303 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+]2Cc3ccccc3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000475713010 502260937 /nfs/dbraw/zinc/26/09/37/502260937.db2.gz ADRBFVAOVPFWRR-AWEZNQCLSA-N 1 1 370.405 3.093 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2Cc3ccccc3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000475713010 502260942 /nfs/dbraw/zinc/26/09/42/502260942.db2.gz ADRBFVAOVPFWRR-AWEZNQCLSA-N 1 1 370.405 3.093 20 5 FGBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000483110236 502275985 /nfs/dbraw/zinc/27/59/85/502275985.db2.gz BEZBVIATULDPLI-AWEZNQCLSA-N 1 1 373.384 3.171 20 5 FGBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000483110236 502275991 /nfs/dbraw/zinc/27/59/91/502275991.db2.gz BEZBVIATULDPLI-AWEZNQCLSA-N 1 1 373.384 3.171 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000483113922 502277533 /nfs/dbraw/zinc/27/75/33/502277533.db2.gz BQCDGUDWYCYBBR-CQSZACIVSA-N 1 1 373.384 3.171 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000483113922 502277538 /nfs/dbraw/zinc/27/75/38/502277538.db2.gz BQCDGUDWYCYBBR-CQSZACIVSA-N 1 1 373.384 3.171 20 5 FGBDMO O=C(C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000483116444 502279384 /nfs/dbraw/zinc/27/93/84/502279384.db2.gz NVGXKJCUHBORSR-MRXNPFEDSA-N 1 1 369.396 3.113 20 5 FGBDMO O=C(C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000483116444 502279387 /nfs/dbraw/zinc/27/93/87/502279387.db2.gz NVGXKJCUHBORSR-MRXNPFEDSA-N 1 1 369.396 3.113 20 5 FGBDMO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000472318306 502312980 /nfs/dbraw/zinc/31/29/80/502312980.db2.gz SHSUWWHMYXSYDG-NVXWUHKLSA-N 1 1 353.422 3.486 20 5 FGBDMO Cc1ccc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000462170602 502333403 /nfs/dbraw/zinc/33/34/03/502333403.db2.gz PKJKJJZULRUMJU-QAPCUYQASA-N 1 1 353.422 3.154 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@@H+](CC2CC2)CC2CCC2)c([N+](=O)[O-])c1 ZINC000483276441 502336526 /nfs/dbraw/zinc/33/65/26/502336526.db2.gz FVPBOOAFCGXBPG-UHFFFAOYSA-N 1 1 361.442 3.444 20 5 FGBDMO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000476078455 502377908 /nfs/dbraw/zinc/37/79/08/502377908.db2.gz ZFOOCVXJNCXOBX-UHFFFAOYSA-N 1 1 371.441 3.345 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@H+](CCO)Cc2ccc(Br)s2)cc1 ZINC000483485210 502405357 /nfs/dbraw/zinc/40/53/57/502405357.db2.gz LXIYUWJQMFDVEZ-UHFFFAOYSA-N 1 1 371.256 3.413 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCO)Cc2ccc(Br)s2)cc1 ZINC000483485210 502405362 /nfs/dbraw/zinc/40/53/62/502405362.db2.gz LXIYUWJQMFDVEZ-UHFFFAOYSA-N 1 1 371.256 3.413 20 5 FGBDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000483856278 502507951 /nfs/dbraw/zinc/50/79/51/502507951.db2.gz MNYRMBZKDNPLDW-UHFFFAOYSA-N 1 1 364.377 3.313 20 5 FGBDMO C[C@@H](c1ccsc1)[NH+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000462693507 502536154 /nfs/dbraw/zinc/53/61/54/502536154.db2.gz WZNUMWBEZJAYSW-ZDUSSCGKSA-N 1 1 369.450 3.483 20 5 FGBDMO COCC[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000602837857 506320698 /nfs/dbraw/zinc/32/06/98/506320698.db2.gz BGSDEYVSTXCQJB-CQSZACIVSA-N 1 1 372.347 3.215 20 5 FGBDMO CNc1c(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000462757035 502559558 /nfs/dbraw/zinc/55/95/58/502559558.db2.gz ASAULSXRYZCBME-UONOGXRCSA-N 1 1 360.458 3.019 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+](C)Cc2sccc2C)cc1[N+](=O)[O-] ZINC000462825437 502588616 /nfs/dbraw/zinc/58/86/16/502588616.db2.gz JQWSGEYVOPFVNI-UHFFFAOYSA-N 1 1 364.423 3.149 20 5 FGBDMO C[C@@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C[N@H+]1Cc1ccccc1 ZINC000466538468 502600940 /nfs/dbraw/zinc/60/09/40/502600940.db2.gz HGWIRKSFIBMIDV-RHSMWYFYSA-N 1 1 354.410 3.379 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCC(F)(F)[C@H](CO)C3)o2)c1 ZINC000462880257 502611618 /nfs/dbraw/zinc/61/16/18/502611618.db2.gz WLEZBVHDWXHSOV-ZDUSSCGKSA-N 1 1 352.337 3.304 20 5 FGBDMO COc1cc(C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)cc([N+](=O)[O-])c1C ZINC000480591204 502613791 /nfs/dbraw/zinc/61/37/91/502613791.db2.gz IINLASAOIMQHAG-CQSZACIVSA-N 1 1 371.437 3.162 20 5 FGBDMO Cc1ccc(N2CCC(Nc3c4ccccc4ncc3[N+](=O)[O-])CC2)[nH+]c1 ZINC000488096049 502625895 /nfs/dbraw/zinc/62/58/95/502625895.db2.gz CNWVGDDVOYNHGI-UHFFFAOYSA-N 1 1 363.421 3.349 20 5 FGBDMO CCCCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1(C)C ZINC000477058901 502664655 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356.357 3.458 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000511363783 503307091 /nfs/dbraw/zinc/30/70/91/503307091.db2.gz VNCNNOJRTPRVIW-ZDUSSCGKSA-N 1 1 363.483 3.476 20 5 FGBDMO CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C)c3[nH+]ccn3c2)cc1OC ZINC000502961297 503315223 /nfs/dbraw/zinc/31/52/23/503315223.db2.gz QVSOCMXZORHVFY-UHFFFAOYSA-N 1 1 370.365 3.211 20 5 FGBDMO COc1ccc(-c2ccc(C[NH2+]Cc3snnc3C)o2)c([N+](=O)[O-])c1 ZINC000492088663 503347674 /nfs/dbraw/zinc/34/76/74/503347674.db2.gz WIIJFPAAFQOYRV-UHFFFAOYSA-N 1 1 360.395 3.313 20 5 FGBDMO CCOc1cc(C[N@@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)ccc1[N+](=O)[O-] ZINC000492582553 503375523 /nfs/dbraw/zinc/37/55/23/503375523.db2.gz LUVLQAWDUKHVPX-HOTGVXAUSA-N 1 1 366.483 3.480 20 5 FGBDMO COc1cc(C[N@@H+](Cc2ccccc2)[C@H](CO)C2CC2)ccc1[N+](=O)[O-] ZINC000492662846 503379931 /nfs/dbraw/zinc/37/99/31/503379931.db2.gz YQBBPSSAKCUKJD-LJQANCHMSA-N 1 1 356.422 3.377 20 5 FGBDMO 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ZINC000552276310 505448627 /nfs/dbraw/zinc/44/86/27/505448627.db2.gz SIAHVEZEANEWDJ-ATZDWAIDSA-N 1 1 372.469 3.339 20 5 FGBDMO C[C@@H]1C[C@@H](CC[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000552283434 505450110 /nfs/dbraw/zinc/45/01/10/505450110.db2.gz CYSVNECQLPLZOV-RVKKMQEKSA-N 1 1 358.442 3.213 20 5 FGBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000552337995 505465894 /nfs/dbraw/zinc/46/58/94/505465894.db2.gz LQEDROIKWALWET-NSHDSACASA-N 1 1 361.364 3.464 20 5 FGBDMO C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000558739847 505479097 /nfs/dbraw/zinc/47/90/97/505479097.db2.gz QBELIWTYDCSBDX-HUUCEWRRSA-N 1 1 373.428 3.474 20 5 FGBDMO C[C@H](O)C[C@H]1COCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000561983011 505485109 /nfs/dbraw/zinc/48/51/09/505485109.db2.gz MPAZLLGBOMIHRA-KBPBESRZSA-N 1 1 362.451 3.295 20 5 FGBDMO C[C@H](O)C[C@H]1COCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000561983011 505485111 /nfs/dbraw/zinc/48/51/11/505485111.db2.gz MPAZLLGBOMIHRA-KBPBESRZSA-N 1 1 362.451 3.295 20 5 FGBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000567653807 505526172 /nfs/dbraw/zinc/52/61/72/505526172.db2.gz IAXKFMUFXHQKEX-UHFFFAOYSA-N 1 1 356.426 3.411 20 5 FGBDMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000567837258 505567020 /nfs/dbraw/zinc/56/70/20/505567020.db2.gz JOXOEBQLNFVLLC-GOSISDBHSA-N 1 1 369.421 3.007 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@H]1CCCn2nccc21 ZINC000603029828 506387966 /nfs/dbraw/zinc/38/79/66/506387966.db2.gz QGZYNFVTSDGEOY-LBPRGKRZSA-N 1 1 351.204 3.179 20 5 FGBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+](C2CC2)C2CCCCC2)cc1 ZINC000612059076 506414472 /nfs/dbraw/zinc/41/44/72/506414472.db2.gz HQWGQJPPKFWTNN-UHFFFAOYSA-N 1 1 352.456 3.166 20 5 FGBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+](C2CC2)C2CCCCC2)cc1 ZINC000612059076 506414477 /nfs/dbraw/zinc/41/44/77/506414477.db2.gz HQWGQJPPKFWTNN-UHFFFAOYSA-N 1 1 352.456 3.166 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)c2ncccc12 ZINC000596514967 506441508 /nfs/dbraw/zinc/44/15/08/506441508.db2.gz QLJWVSPAUGYNIR-QZTJIDSGSA-N 1 1 368.437 3.198 20 5 FGBDMO O=[N+]([O-])c1cnc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)s1 ZINC000596526058 506446414 /nfs/dbraw/zinc/44/64/14/506446414.db2.gz PTPIFLOHNFOEDM-OAHLLOKOSA-N 1 1 358.467 3.187 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000599514531 506481597 /nfs/dbraw/zinc/48/15/97/506481597.db2.gz XRDYQVBEFSPXFJ-TXEJJXNPSA-N 1 1 355.385 3.455 20 5 FGBDMO C[C@H]1CC[N@@H+](CCOc2ccc(-c3cc([N+](=O)[O-])ccc3CO)cc2)C1 ZINC000596634993 506500935 /nfs/dbraw/zinc/50/09/35/506500935.db2.gz USTAWMXONYKLON-HNNXBMFYSA-N 1 1 356.422 3.475 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+][C@@H]1CNc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000593319258 506535416 /nfs/dbraw/zinc/53/54/16/506535416.db2.gz KLFREQUPEBVVKF-QFBILLFUSA-N 1 1 363.421 3.044 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)CCCOc2ccccc2)c1 ZINC000589495851 506567897 /nfs/dbraw/zinc/56/78/97/506567897.db2.gz FKLPQOYKTPHXOF-UHFFFAOYSA-N 1 1 358.394 3.282 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)CCCOc2ccccc2)c1 ZINC000589495851 506567902 /nfs/dbraw/zinc/56/79/02/506567902.db2.gz FKLPQOYKTPHXOF-UHFFFAOYSA-N 1 1 358.394 3.282 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@@H](C)[C@H]2Cc3ccccc3O2)c1 ZINC000589505488 506572359 /nfs/dbraw/zinc/57/23/59/506572359.db2.gz JTPLAIONHFUWKH-ORAYPTAESA-N 1 1 370.405 3.205 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@@H](C)[C@H]2Cc3ccccc3O2)c1 ZINC000589505488 506572365 /nfs/dbraw/zinc/57/23/65/506572365.db2.gz JTPLAIONHFUWKH-ORAYPTAESA-N 1 1 370.405 3.205 20 5 FGBDMO Cc1cc(NC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000603837421 506629431 /nfs/dbraw/zinc/62/94/31/506629431.db2.gz GRMZZMGKAOOHOL-SFHVURJKSA-N 1 1 354.410 3.424 20 5 FGBDMO Cc1cc(NC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000603837421 506629434 /nfs/dbraw/zinc/62/94/34/506629434.db2.gz GRMZZMGKAOOHOL-SFHVURJKSA-N 1 1 354.410 3.424 20 5 FGBDMO CCN1CC[NH+](Cc2ccccc2CNc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000603854112 506635459 /nfs/dbraw/zinc/63/54/59/506635459.db2.gz WIFCKMHDOBAGDH-UHFFFAOYSA-N 1 1 372.444 3.484 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000599792197 506639164 /nfs/dbraw/zinc/63/91/64/506639164.db2.gz YYZBWTJNXILMFA-HNNXBMFYSA-N 1 1 362.430 3.132 20 5 FGBDMO O=[N+]([O-])c1cc(F)ccc1N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000593495802 506653136 /nfs/dbraw/zinc/65/31/36/506653136.db2.gz JGNXVSHILOTLDR-VQTJNVASSA-N 1 1 371.412 3.214 20 5 FGBDMO CC[N@H+]1C[C@@H](C)N(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C[C@@H]1C ZINC000599833394 506667012 /nfs/dbraw/zinc/66/70/12/506667012.db2.gz RCXIBASOXUBKKI-QWHCGFSZSA-N 1 1 357.414 3.089 20 5 FGBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599836618 506668041 /nfs/dbraw/zinc/66/80/41/506668041.db2.gz VEGUJUOWXIHYNA-ZDUSSCGKSA-N 1 1 357.414 3.139 20 5 FGBDMO C[N@H+]1CCC[C@H](NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000604198273 506746394 /nfs/dbraw/zinc/74/63/94/506746394.db2.gz FDQMDEZSLSDWDT-INIZCTEOSA-N 1 1 354.410 3.162 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+](Cc2ccccc2F)CC2CC2)c1 ZINC000604291631 506774409 /nfs/dbraw/zinc/77/44/09/506774409.db2.gz FCBMXBRROYEUDJ-GOSISDBHSA-N 1 1 374.412 3.386 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)c1 ZINC000600227710 506860031 /nfs/dbraw/zinc/86/00/31/506860031.db2.gz FCKBUHKDPBIATQ-CQSZACIVSA-N 1 1 363.483 3.454 20 5 FGBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000600230299 506862083 /nfs/dbraw/zinc/86/20/83/506862083.db2.gz QODHENFFLLICGJ-OAHLLOKOSA-N 1 1 361.442 3.130 20 5 FGBDMO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000604535245 506865274 /nfs/dbraw/zinc/86/52/74/506865274.db2.gz OTCWTGWCCFWKOK-CRAIPNDOSA-N 1 1 368.437 3.079 20 5 FGBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594056474 506910677 /nfs/dbraw/zinc/91/06/77/506910677.db2.gz DEDRUWKNRAWMAY-HUUCEWRRSA-N 1 1 352.822 3.387 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000600471795 506963187 /nfs/dbraw/zinc/96/31/87/506963187.db2.gz UZPPGUDCPXUZNV-AWEZNQCLSA-N 1 1 351.834 3.303 20 5 FGBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000594198086 507001189 /nfs/dbraw/zinc/00/11/89/507001189.db2.gz ROOVERPHZSQYIH-KBPBESRZSA-N 1 1 371.359 3.360 20 5 FGBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000594198703 507003258 /nfs/dbraw/zinc/00/32/58/507003258.db2.gz VDMUJRFDEPEFPT-DZGCQCFKSA-N 1 1 371.359 3.360 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c([N+](=O)[O-])cc1F ZINC000613383407 507060871 /nfs/dbraw/zinc/06/08/71/507060871.db2.gz NLGDXXVRWKAXSJ-KGLIPLIRSA-N 1 1 352.406 3.381 20 5 FGBDMO CC(C)(NC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000594283370 507061175 /nfs/dbraw/zinc/06/11/75/507061175.db2.gz GSDWRTRQUDZHBD-IAGOWNOFSA-N 1 1 360.458 3.146 20 5 FGBDMO Cc1c(Br)cc(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000583966750 507074025 /nfs/dbraw/zinc/07/40/25/507074025.db2.gz RYACNHKDCHXMBC-JTQLQIEISA-N 1 1 372.263 3.124 20 5 FGBDMO Cc1[nH+]cn(CCCCc2noc(COc3cccc([N+](=O)[O-])c3)n2)c1C ZINC000594535066 507174907 /nfs/dbraw/zinc/17/49/07/507174907.db2.gz ROYAVDAUKLXONT-UHFFFAOYSA-N 1 1 371.397 3.393 20 5 FGBDMO Cc1ccc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000610296626 507182667 /nfs/dbraw/zinc/18/26/67/507182667.db2.gz IKTZFEOJPGSDLI-GOSISDBHSA-N 1 1 353.422 3.250 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000610296455 507183340 /nfs/dbraw/zinc/18/33/40/507183340.db2.gz DFIDNYCYMWIWHC-KRWDZBQOSA-N 1 1 357.385 3.080 20 5 FGBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601021375 507230005 /nfs/dbraw/zinc/23/00/05/507230005.db2.gz XPFPPLZNFZYKQZ-INIZCTEOSA-N 1 1 359.470 3.253 20 5 FGBDMO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000610446062 507243891 /nfs/dbraw/zinc/24/38/91/507243891.db2.gz OTEOKALSIXCKGU-AWEZNQCLSA-N 1 1 359.451 3.393 20 5 FGBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000610446062 507243892 /nfs/dbraw/zinc/24/38/92/507243892.db2.gz OTEOKALSIXCKGU-AWEZNQCLSA-N 1 1 359.451 3.393 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@@H]3CCO[C@@H](c4cccnc4)C3)c2c1 ZINC000601171309 507285714 /nfs/dbraw/zinc/28/57/14/507285714.db2.gz LMAGTUCOYXYNFC-AUUYWEPGSA-N 1 1 350.378 3.292 20 5 FGBDMO Cc1ccc([C@@H](C)NC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000610595648 507311286 /nfs/dbraw/zinc/31/12/86/507311286.db2.gz GERWSJHMQSIAEN-ZBFHGGJFSA-N 1 1 360.458 3.280 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000595054295 507370270 /nfs/dbraw/zinc/37/02/70/507370270.db2.gz ZBMOUDDRCQVJRL-SJKOYZFVSA-N 1 1 373.384 3.199 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cnc(C(F)(F)F)nc1 ZINC000595060278 507373487 /nfs/dbraw/zinc/37/34/87/507373487.db2.gz MDAZUFPSNXUGIJ-VIFPVBQESA-N 1 1 356.304 3.263 20 5 FGBDMO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595293725 507450780 /nfs/dbraw/zinc/45/07/80/507450780.db2.gz FLAUVPINXWKZTR-UKRRQHHQSA-N 1 1 351.422 3.251 20 5 FGBDMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000610969002 507459230 /nfs/dbraw/zinc/45/92/30/507459230.db2.gz UTROBGPUULZXBV-UHFFFAOYSA-N 1 1 364.405 3.256 20 5 FGBDMO COc1ccccc1COC1CC[NH+](Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595407555 507483731 /nfs/dbraw/zinc/48/37/31/507483731.db2.gz IXUAVZJWSZMSIL-UHFFFAOYSA-N 1 1 361.398 3.081 20 5 FGBDMO Cc1cccc(C[N@H+]2CC[C@H](NC(=O)c3c(F)cccc3[N+](=O)[O-])C2)c1 ZINC000601851616 507486816 /nfs/dbraw/zinc/48/68/16/507486816.db2.gz UJZZLCPJVBCCLS-HNNXBMFYSA-N 1 1 357.385 3.047 20 5 FGBDMO O=C(C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000592134973 507497710 /nfs/dbraw/zinc/49/77/10/507497710.db2.gz XMCHLEYRVAXQJV-BLLLJJGKSA-N 1 1 367.833 3.078 20 5 FGBDMO O=C(C[N@H+]1CCC[C@@H]1[C@H]1CCCOC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000592134973 507497714 /nfs/dbraw/zinc/49/77/14/507497714.db2.gz XMCHLEYRVAXQJV-BLLLJJGKSA-N 1 1 367.833 3.078 20 5 FGBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000611087628 507511281 /nfs/dbraw/zinc/51/12/81/507511281.db2.gz AVDGEWVRBFFXLO-UHFFFAOYSA-N 1 1 370.453 3.034 20 5 FGBDMO COc1cc(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)c(F)cc1[N+](=O)[O-] ZINC000611256206 507583987 /nfs/dbraw/zinc/58/39/87/507583987.db2.gz SYRXEFSPWTWOSO-HNNXBMFYSA-N 1 1 359.401 3.453 20 5 FGBDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611276257 507600973 /nfs/dbraw/zinc/60/09/73/507600973.db2.gz FPNPKRMUPQCHBG-ZIAGYGMSSA-N 1 1 352.456 3.472 20 5 FGBDMO C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611286840 507605796 /nfs/dbraw/zinc/60/57/96/507605796.db2.gz QZYIYHSXBGVPFZ-FZKQIMNGSA-N 1 1 370.405 3.190 20 5 FGBDMO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000595672395 507620548 /nfs/dbraw/zinc/62/05/48/507620548.db2.gz ITSBPWBQBFAROO-FZMZJTMJSA-N 1 1 357.248 3.340 20 5 FGBDMO C[C@@H](CO)[C@@H]1CCCC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000595672395 507620554 /nfs/dbraw/zinc/62/05/54/507620554.db2.gz ITSBPWBQBFAROO-FZMZJTMJSA-N 1 1 357.248 3.340 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@@H]2CCCC[C@H]12 ZINC000595728113 507649874 /nfs/dbraw/zinc/64/98/74/507649874.db2.gz JETQJCSOODIBEF-BZUAXINKSA-N 1 1 350.390 3.288 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)[C@H]2CCCC[C@H]12 ZINC000595731002 507652700 /nfs/dbraw/zinc/65/27/00/507652700.db2.gz FNZCMKUMPRZCJH-ZACQAIPSSA-N 1 1 362.426 3.157 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)[C@H]2CCCC[C@H]12 ZINC000595732167 507654518 /nfs/dbraw/zinc/65/45/18/507654518.db2.gz OLXDWQUOEVLBNM-ZACQAIPSSA-N 1 1 362.426 3.157 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000592433610 507655904 /nfs/dbraw/zinc/65/59/04/507655904.db2.gz LSXFATLNDJOYHT-KGLIPLIRSA-N 1 1 369.412 3.408 20 5 FGBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000598887831 507663372 /nfs/dbraw/zinc/66/33/72/507663372.db2.gz DBDVPKUEVXRGKR-UHFFFAOYSA-N 1 1 361.364 3.464 20 5 FGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000595788440 507685202 /nfs/dbraw/zinc/68/52/02/507685202.db2.gz OCVUJFIQHLHBDG-KBXCAEBGSA-N 1 1 361.442 3.203 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC([C@@H]4CCCCO4)CC3)n2)c1 ZINC000595787948 507685983 /nfs/dbraw/zinc/68/59/83/507685983.db2.gz KVESWPVYMBSMFR-KRWDZBQOSA-N 1 1 372.425 3.426 20 5 FGBDMO C[C@@H]1CC2(C[N@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CCOCC2 ZINC000592527191 507696412 /nfs/dbraw/zinc/69/64/12/507696412.db2.gz MGYRFOHYZPPDBN-OAHLLOKOSA-N 1 1 370.453 3.386 20 5 FGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c(F)c1 ZINC000611498030 507708089 /nfs/dbraw/zinc/70/80/89/507708089.db2.gz HCOABHMCUXAFBV-JKSUJKDBSA-N 1 1 372.318 3.358 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000595838862 507708323 /nfs/dbraw/zinc/70/83/23/507708323.db2.gz XQGDWDKGNZMZOQ-HNNXBMFYSA-N 1 1 361.442 3.444 20 5 FGBDMO COc1ccc(NC(=O)C[N@@H+](C)C[C@H]2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000595877245 507723651 /nfs/dbraw/zinc/72/36/51/507723651.db2.gz IDUQDWRDUYRERR-OAHLLOKOSA-N 1 1 369.421 3.204 20 5 FGBDMO O=[N+]([O-])c1sc(CN[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1Br ZINC000602514716 507733472 /nfs/dbraw/zinc/73/34/72/507733472.db2.gz PPNRZCRPCFXWDS-VXGBXAGGSA-N 1 1 360.277 3.135 20 5 FGBDMO O=[N+]([O-])c1sc(C[NH2+][C@@H]2CCN3CCCC[C@H]23)cc1Br ZINC000602514716 507733476 /nfs/dbraw/zinc/73/34/76/507733476.db2.gz PPNRZCRPCFXWDS-VXGBXAGGSA-N 1 1 360.277 3.135 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595907336 507737107 /nfs/dbraw/zinc/73/71/07/507737107.db2.gz AROGAIGFTOMPHX-BGYRXZFFSA-N 1 1 373.453 3.124 20 5 FGBDMO CN(C(=O)C[N@@H+]1CC2CC1(c1ccccc1)C2)c1ccc([N+](=O)[O-])cc1 ZINC000595911714 507738767 /nfs/dbraw/zinc/73/87/67/507738767.db2.gz SGJQWKMTKBYNCK-UHFFFAOYSA-N 1 1 351.406 3.179 20 5 FGBDMO CN(C(=O)C[N@H+]1CC2CC1(c1ccccc1)C2)c1ccc([N+](=O)[O-])cc1 ZINC000595911714 507738773 /nfs/dbraw/zinc/73/87/73/507738773.db2.gz SGJQWKMTKBYNCK-UHFFFAOYSA-N 1 1 351.406 3.179 20 5 FGBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC3(C2)CCCCC3)cc1 ZINC000181914148 568198537 /nfs/dbraw/zinc/19/85/37/568198537.db2.gz GUPQBZRQAYOUAH-UHFFFAOYSA-N 1 1 352.456 3.025 20 5 FGBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC3(C2)CCCCC3)cc1 ZINC000181914148 568198538 /nfs/dbraw/zinc/19/85/38/568198538.db2.gz GUPQBZRQAYOUAH-UHFFFAOYSA-N 1 1 352.456 3.025 20 5 FGBDMO Cc1ccc([C@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)cc1[N+](=O)[O-] ZINC000822228676 607057742 /nfs/dbraw/zinc/05/77/42/607057742.db2.gz BYZSCFWTYPHDQD-NSHDSACASA-N 1 1 356.361 3.073 20 5 FGBDMO NC(=O)[C@H]1C[N@H+](Cc2c3ccccc3c(Cl)c3ccccc32)CCO1 ZINC000092734927 700441151 /nfs/dbraw/zinc/44/11/51/700441151.db2.gz YAHKNMFHKMDACB-GOSISDBHSA-N 1 1 354.837 3.333 20 5 FGBDMO NC(=O)[C@H]1C[N@@H+](Cc2c3ccccc3c(Cl)c3ccccc32)CCO1 ZINC000092734927 700441153 /nfs/dbraw/zinc/44/11/53/700441153.db2.gz YAHKNMFHKMDACB-GOSISDBHSA-N 1 1 354.837 3.333 20 5 FGBDMO CC(C)([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)NCC1CCCC1 ZINC000136038333 704856854 /nfs/dbraw/zinc/85/68/54/704856854.db2.gz JGBCYAQUWYBINE-UHFFFAOYSA-N 1 1 353.850 3.423 20 5 FGBDMO O=[N+]([O-])c1cc(CN2CC[NH+](Cc3cccc(O)c3)CC2)ccc1Cl ZINC000153991080 705019138 /nfs/dbraw/zinc/01/91/38/705019138.db2.gz ZJRYSFLZBJJOOE-UHFFFAOYSA-N 1 1 361.829 3.272 20 5 FGBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)CCc1nccs1 ZINC000157777643 705163832 /nfs/dbraw/zinc/16/38/32/705163832.db2.gz WNXAIMMETALTSK-SNVBAGLBSA-N 1 1 368.846 3.206 20 5 FGBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)CCc1nccs1 ZINC000157777643 705163834 /nfs/dbraw/zinc/16/38/34/705163834.db2.gz WNXAIMMETALTSK-SNVBAGLBSA-N 1 1 368.846 3.206 20 5 FGBDMO CCS[C@H]1CC[C@H]([N@H+](C)Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000173487443 705461075 /nfs/dbraw/zinc/46/10/75/705461075.db2.gz RRWMQOJRGOFNJM-AAEUAGOBSA-N 1 1 351.428 3.066 20 5 FGBDMO CCS[C@H]1CC[C@H]([N@@H+](C)Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000173487443 705461081 /nfs/dbraw/zinc/46/10/81/705461081.db2.gz RRWMQOJRGOFNJM-AAEUAGOBSA-N 1 1 351.428 3.066 20 5 FGBDMO C[N@@H+](CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000177719965 705636373 /nfs/dbraw/zinc/63/63/73/705636373.db2.gz USKKTJINJAOLAN-UHFFFAOYSA-N 1 1 365.792 3.249 20 5 FGBDMO Cc1nsc(N2CCC[N@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)n1 ZINC000182815072 705862962 /nfs/dbraw/zinc/86/29/62/705862962.db2.gz GHLXWWOPBDUBPT-ZDUSSCGKSA-N 1 1 361.471 3.336 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000524888582 714307946 /nfs/dbraw/zinc/30/79/46/714307946.db2.gz DWEVJUKSQPFPFZ-JSGCOSHPSA-N 1 1 351.472 3.262 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000526127564 714408151 /nfs/dbraw/zinc/40/81/51/714408151.db2.gz AJINFKSOVORPJC-OAHLLOKOSA-N 1 1 359.813 3.473 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000526127564 714408155 /nfs/dbraw/zinc/40/81/55/714408155.db2.gz AJINFKSOVORPJC-OAHLLOKOSA-N 1 1 359.813 3.473 20 5 FGBDMO COCC[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H]1CC[C@H](C)C1 ZINC000616742547 714597152 /nfs/dbraw/zinc/59/71/52/714597152.db2.gz DLTGWCBKRWPCFE-ZFWWWQNUSA-N 1 1 350.415 3.003 20 5 FGBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000619566994 714853552 /nfs/dbraw/zinc/85/35/52/714853552.db2.gz GINYGUHCWMGGSY-ZIAGYGMSSA-N 1 1 351.472 3.018 20 5 FGBDMO COc1cc(COC(=O)CC[C@@H]2CCCC[N@H+]2C)c([N+](=O)[O-])cc1F ZINC000803854492 724475506 /nfs/dbraw/zinc/47/55/06/724475506.db2.gz SEJVFBOSZOFUNQ-ZDUSSCGKSA-N 1 1 354.378 3.050 20 5 FGBDMO CC[N@@H+](CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])CCC(F)(F)F ZINC000804649506 724536821 /nfs/dbraw/zinc/53/68/21/724536821.db2.gz BMULEFBBNLSKBU-UHFFFAOYSA-N 1 1 350.297 3.189 20 5 FGBDMO O=[N+]([O-])c1cnc(Cl)nc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164628734 719055343 /nfs/dbraw/zinc/05/53/43/719055343.db2.gz ZOPSXHXMUPTMFG-GOEBONIOSA-N 1 1 373.844 3.139 20 5 FGBDMO CCc1cc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000508330848 719244333 /nfs/dbraw/zinc/24/43/33/719244333.db2.gz WNYYBWMGUFIHNX-KBPBESRZSA-N 1 1 355.442 3.143 20 5 FGBDMO Cc1cc(Cl)nc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c1[N+](=O)[O-] ZINC001164725381 720362897 /nfs/dbraw/zinc/36/28/97/720362897.db2.gz NBRZPRRSCPLVAP-LSDHHAIUSA-N 1 1 373.844 3.200 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)nc1Cl ZINC001164730352 720364389 /nfs/dbraw/zinc/36/43/89/720364389.db2.gz WZZIXMUZWRGMDV-LSDHHAIUSA-N 1 1 373.844 3.200 20 5 FGBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cccc([N+](=O)[O-])n3)C[C@@H]21 ZINC001165022264 721804941 /nfs/dbraw/zinc/80/49/41/721804941.db2.gz IJWWHGRUFBIZDC-RYQLBKOJSA-N 1 1 367.453 3.122 20 5 FGBDMO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000752083234 722844336 /nfs/dbraw/zinc/84/43/36/722844336.db2.gz GXDXGBUMJQGDAQ-VXGBXAGGSA-N 1 1 355.460 3.391 20 5 FGBDMO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000752083234 722844337 /nfs/dbraw/zinc/84/43/37/722844337.db2.gz GXDXGBUMJQGDAQ-VXGBXAGGSA-N 1 1 355.460 3.391 20 5 FGBDMO Cc1cnn(-c2cc[nH+]cc2NC(=O)c2cccc(Cl)c2[N+](=O)[O-])c1 ZINC000752858528 722874739 /nfs/dbraw/zinc/87/47/39/722874739.db2.gz CTGAOBXOAAVNKY-UHFFFAOYSA-N 1 1 357.757 3.390 20 5 FGBDMO COCC[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccco1 ZINC000754461394 722939450 /nfs/dbraw/zinc/93/94/50/722939450.db2.gz ZKKXCRCVRCNTSS-LBPRGKRZSA-N 1 1 367.789 3.147 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790482250 723145079 /nfs/dbraw/zinc/14/50/79/723145079.db2.gz JKVSHUMYPIZIOT-LBPRGKRZSA-N 1 1 371.840 3.311 20 5 FGBDMO COC(=O)[C@]1(C(F)(F)F)CC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000796301508 723631543 /nfs/dbraw/zinc/63/15/43/723631543.db2.gz ARAFKSDOOMSVRK-ABAIWWIYSA-N 1 1 360.332 3.392 20 5 FGBDMO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccc2c(c1)OCC(=O)N2 ZINC000796840569 723656780 /nfs/dbraw/zinc/65/67/80/723656780.db2.gz YTQQCLKRNXYJRW-SNVBAGLBSA-N 1 1 361.785 3.430 20 5 FGBDMO O=C1CCCN1C[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000768555392 723661738 /nfs/dbraw/zinc/66/17/38/723661738.db2.gz QTZGWCKVSAEKRZ-AWEZNQCLSA-N 1 1 351.834 3.225 20 5 FGBDMO O=C1CCCN1C[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000768555392 723661739 /nfs/dbraw/zinc/66/17/39/723661739.db2.gz QTZGWCKVSAEKRZ-AWEZNQCLSA-N 1 1 351.834 3.225 20 5 FGBDMO O=[N+]([O-])c1cccc(Br)c1C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000769003761 723674057 /nfs/dbraw/zinc/67/40/57/723674057.db2.gz IKPVLYVCNWUSLU-UHFFFAOYSA-N 1 1 365.231 3.460 20 5 FGBDMO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000769390554 723684076 /nfs/dbraw/zinc/68/40/76/723684076.db2.gz WDWDVJYLJPLYNN-LSDHHAIUSA-N 1 1 357.248 3.483 20 5 FGBDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000769390554 723684077 /nfs/dbraw/zinc/68/40/77/723684077.db2.gz WDWDVJYLJPLYNN-LSDHHAIUSA-N 1 1 357.248 3.483 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1COC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC000797476368 723824710 /nfs/dbraw/zinc/82/47/10/723824710.db2.gz RPROTEIXYVKPMF-UHFFFAOYSA-N 1 1 350.415 3.300 20 5 FGBDMO COCC[N@@H+](Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)C1CCCC1 ZINC000774627719 723911786 /nfs/dbraw/zinc/91/17/86/723911786.db2.gz SVJLAPYFYANMEY-UHFFFAOYSA-N 1 1 352.822 3.446 20 5 FGBDMO CCCN(C(=S)NC[C@@H]1CCC[N@H+]1CC)c1cccc([N+](=O)[O-])c1 ZINC000799507798 724036373 /nfs/dbraw/zinc/03/63/73/724036373.db2.gz QPMWGBGWKQGMFM-INIZCTEOSA-N 1 1 350.488 3.170 20 5 FGBDMO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000776271945 724127120 /nfs/dbraw/zinc/12/71/20/724127120.db2.gz MLXDQGYEFNNLTL-GOSISDBHSA-N 1 1 361.829 3.104 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000810665937 725321520 /nfs/dbraw/zinc/32/15/20/725321520.db2.gz GNGNLXOLIORQLU-QGZVFWFLSA-N 1 1 371.840 3.119 20 5 FGBDMO O=C(O[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000810836875 725329995 /nfs/dbraw/zinc/32/99/95/725329995.db2.gz CVTKSRFRHJVFSI-GXTWGEPZSA-N 1 1 358.316 3.397 20 5 FGBDMO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1=O ZINC000811481597 725368494 /nfs/dbraw/zinc/36/84/94/725368494.db2.gz GWUZXFZBUHUXHC-DYLAAIIWSA-N 1 1 358.225 3.001 20 5 FGBDMO CN(C)[C@@]1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCSC1 ZINC000811483891 725368504 /nfs/dbraw/zinc/36/85/04/725368504.db2.gz QWPKWDBBVLQMOQ-CQSZACIVSA-N 1 1 364.298 3.429 20 5 FGBDMO CCO[C@H](CC[NH+](C)C)CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811487054 725368786 /nfs/dbraw/zinc/36/87/86/725368786.db2.gz LEBNVLHAMBMFAN-CYBMUJFWSA-N 1 1 364.273 3.348 20 5 FGBDMO Cc1sccc1CC(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173584 726846464 /nfs/dbraw/zinc/84/64/64/726846464.db2.gz DXZKBZCVACHOKE-KRWDZBQOSA-N 1 1 360.435 3.325 20 5 FGBDMO Cc1sccc1CC(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173584 726846468 /nfs/dbraw/zinc/84/64/68/726846468.db2.gz DXZKBZCVACHOKE-KRWDZBQOSA-N 1 1 360.435 3.325 20 5 FGBDMO Cn1c(=O)c(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])cc2ccccc21 ZINC000813790273 726914816 /nfs/dbraw/zinc/91/48/16/726914816.db2.gz LLVIGSCYQKFAME-UHFFFAOYSA-N 1 1 357.797 3.390 20 5 FGBDMO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000816952641 727209530 /nfs/dbraw/zinc/20/95/30/727209530.db2.gz OQCLZBRHBSLUTO-DOMZBBRYSA-N 1 1 363.845 3.337 20 5 FGBDMO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000821613296 729101807 /nfs/dbraw/zinc/10/18/07/729101807.db2.gz HGTDACMYOGNNCV-UHFFFAOYSA-N 1 1 358.789 3.060 20 5 FGBDMO C[C@@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@H+](C2CC2)C1 ZINC000824445737 729339029 /nfs/dbraw/zinc/33/90/29/729339029.db2.gz LSXCQGZKAUXLIP-GFCCVEGCSA-N 1 1 368.275 3.273 20 5 FGBDMO C[C@@]12COC[C@]1(C)C[N@@H+](Cc1c(Br)cccc1[N+](=O)[O-])C2 ZINC000827017721 729421747 /nfs/dbraw/zinc/42/17/47/729421747.db2.gz JEEGVUWBBZXORY-GASCZTMLSA-N 1 1 355.232 3.216 20 5 FGBDMO C[C@@]12COC[C@]1(C)C[N@H+](Cc1c(Br)cccc1[N+](=O)[O-])C2 ZINC000827017721 729421748 /nfs/dbraw/zinc/42/17/48/729421748.db2.gz JEEGVUWBBZXORY-GASCZTMLSA-N 1 1 355.232 3.216 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000827285833 729428059 /nfs/dbraw/zinc/42/80/59/729428059.db2.gz BCKIQEQFIDFPRR-CJNGLKHVSA-N 1 1 363.483 3.262 20 5 FGBDMO CC[N@@H+](CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC(F)(F)F ZINC000830402029 729555678 /nfs/dbraw/zinc/55/56/78/729555678.db2.gz JCQAPBZJSUWRMU-UHFFFAOYSA-N 1 1 367.755 3.252 20 5 FGBDMO C[C@H]1CC2(C[N@H+]1Cn1ncc3cc([N+](=O)[O-])cc(Cl)c31)CCOCC2 ZINC000842639260 730523657 /nfs/dbraw/zinc/52/36/57/730523657.db2.gz QHOLADBGYYGXJE-LBPRGKRZSA-N 1 1 364.833 3.446 20 5 FGBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000843831926 730658895 /nfs/dbraw/zinc/65/88/95/730658895.db2.gz ARCIUGPNZQMSQT-CQSZACIVSA-N 1 1 351.422 3.140 20 5 FGBDMO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000844910850 730788229 /nfs/dbraw/zinc/78/82/29/730788229.db2.gz KJBPPLCRANKTQF-XYPHTWIQSA-N 1 1 353.850 3.109 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000845739124 730890177 /nfs/dbraw/zinc/89/01/77/730890177.db2.gz FLCJRZOMOBXTJG-JSGCOSHPSA-N 1 1 352.456 3.491 20 5 FGBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000846933250 730996341 /nfs/dbraw/zinc/99/63/41/730996341.db2.gz FWXZHJXAMYOQDB-AWEZNQCLSA-N 1 1 374.268 3.198 20 5 FGBDMO Cc1cc(Cl)c(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000847254752 731041006 /nfs/dbraw/zinc/04/10/06/731041006.db2.gz HIKZCEBSWWBJMY-LSDHHAIUSA-N 1 1 351.834 3.303 20 5 FGBDMO Cc1noc(C[N@@H+]2CCC[C@](O)(c3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC000852210349 731556535 /nfs/dbraw/zinc/55/65/35/731556535.db2.gz BWJOZEHREPNXAZ-MRXNPFEDSA-N 1 1 351.790 3.028 20 5 FGBDMO Cc1noc(C[N@H+]2CCC[C@](O)(c3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC000852210349 731556539 /nfs/dbraw/zinc/55/65/39/731556539.db2.gz BWJOZEHREPNXAZ-MRXNPFEDSA-N 1 1 351.790 3.028 20 5 FGBDMO Cc1csc(CC2(O)CC[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2)n1 ZINC000878928946 736935007 /nfs/dbraw/zinc/93/50/07/736935007.db2.gz RVFDNDHNQNMZAG-UHFFFAOYSA-N 1 1 365.430 3.068 20 5 FGBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879561608 737007398 /nfs/dbraw/zinc/00/73/98/737007398.db2.gz RCYMAEJCMRTVEQ-GRYCIOLGSA-N 1 1 369.874 3.260 20 5 FGBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879561608 737007400 /nfs/dbraw/zinc/00/74/00/737007400.db2.gz RCYMAEJCMRTVEQ-GRYCIOLGSA-N 1 1 369.874 3.260 20 5 FGBDMO CC(C)(O)[C@H]1CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000879964545 737091804 /nfs/dbraw/zinc/09/18/04/737091804.db2.gz IVMBLJAHEYQDKQ-LBPRGKRZSA-N 1 1 357.248 3.340 20 5 FGBDMO CC(C)(O)[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000879964545 737091810 /nfs/dbraw/zinc/09/18/10/737091810.db2.gz IVMBLJAHEYQDKQ-LBPRGKRZSA-N 1 1 357.248 3.340 20 5 FGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)c1Br ZINC000886819560 739306353 /nfs/dbraw/zinc/30/63/53/739306353.db2.gz UGRQCSUKNUQWOQ-SMDDNHRTSA-N 1 1 355.232 3.358 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000887929160 739447258 /nfs/dbraw/zinc/44/72/58/739447258.db2.gz LOIPZVTZZDJYOC-SCLBCKFNSA-N 1 1 363.483 3.119 20 5 FGBDMO Cn1ncc(C[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])c1C1CC1 ZINC000896005819 742480701 /nfs/dbraw/zinc/48/07/01/742480701.db2.gz FZIZKYTVWHYJIH-UHFFFAOYSA-N 1 1 365.231 3.258 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CNCCC1(F)F ZINC000903958359 743905332 /nfs/dbraw/zinc/90/53/32/743905332.db2.gz YOEWSGUGYJKULR-BPUTZDHNSA-N 1 1 353.413 3.140 20 5 FGBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000920758264 758596676 /nfs/dbraw/zinc/59/66/76/758596676.db2.gz PXGBQKXFSOKYOK-AWEZNQCLSA-N 1 1 365.231 3.218 20 5 FGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(Br)nc1N ZINC000930354021 760586722 /nfs/dbraw/zinc/58/67/22/760586722.db2.gz NJYUGQYKPYQCCJ-UHFFFAOYSA-N 1 1 365.231 3.009 20 5 FGBDMO C[C@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000573812099 505627066 /nfs/dbraw/zinc/62/70/66/505627066.db2.gz ORIYURSHDVSTOK-INIZCTEOSA-N 1 1 368.437 3.011 20 5 FGBDMO C[C@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000573812099 505627069 /nfs/dbraw/zinc/62/70/69/505627069.db2.gz ORIYURSHDVSTOK-INIZCTEOSA-N 1 1 368.437 3.011 20 5 FGBDMO CC[C@H](C(=O)NCCc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000568146973 505627943 /nfs/dbraw/zinc/62/79/43/505627943.db2.gz IHIFXHZLAHSGKX-GOSISDBHSA-N 1 1 355.438 3.164 20 5 FGBDMO O=C(C[N@@H+]1CCC[C@H]1c1ccc(F)cc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000028281389 493783842 /nfs/dbraw/zinc/78/38/42/493783842.db2.gz SUTDRECCPWNJGY-SFHVURJKSA-N 1 1 369.396 3.460 20 5 FGBDMO O=C(C[N@H+]1CCC[C@H]1c1ccc(F)cc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000028281389 493783843 /nfs/dbraw/zinc/78/38/43/493783843.db2.gz SUTDRECCPWNJGY-SFHVURJKSA-N 1 1 369.396 3.460 20 5 FGBDMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)nc1 ZINC000080926834 493792838 /nfs/dbraw/zinc/79/28/38/493792838.db2.gz HKLSCDMBELEHNV-INIZCTEOSA-N 1 1 354.410 3.149 20 5 FGBDMO Cc1ccc(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000029161549 493822127 /nfs/dbraw/zinc/82/21/27/493822127.db2.gz PKDLSUSTEHFWCL-UHFFFAOYSA-N 1 1 367.449 3.470 20 5 FGBDMO Cc1c(NC(=O)CCN2CC[N@H+](C)CC23CCCCC3)cccc1[N+](=O)[O-] ZINC000081597759 493925418 /nfs/dbraw/zinc/92/54/18/493925418.db2.gz APQCNEZQPAGINU-UHFFFAOYSA-N 1 1 374.485 3.182 20 5 FGBDMO CCN1CC[NH+](Cc2ccc(CNc3ccc(F)cc3[N+](=O)[O-])cc2)CC1 ZINC000060741773 493953381 /nfs/dbraw/zinc/95/33/81/493953381.db2.gz KRVGNUFAWLQNMN-UHFFFAOYSA-N 1 1 372.444 3.484 20 5 FGBDMO C[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2sccc2C1 ZINC000031663834 493953950 /nfs/dbraw/zinc/95/39/50/493953950.db2.gz JHJNAWMGEOPOAG-GFCCVEGCSA-N 1 1 360.439 3.225 20 5 FGBDMO C[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCc2sccc2C1 ZINC000031663834 493953951 /nfs/dbraw/zinc/95/39/51/493953951.db2.gz JHJNAWMGEOPOAG-GFCCVEGCSA-N 1 1 360.439 3.225 20 5 FGBDMO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000031766408 493959751 /nfs/dbraw/zinc/95/97/51/493959751.db2.gz OGOAQNAHMQWUAG-UHFFFAOYSA-N 1 1 359.451 3.313 20 5 FGBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000031766408 493959756 /nfs/dbraw/zinc/95/97/56/493959756.db2.gz OGOAQNAHMQWUAG-UHFFFAOYSA-N 1 1 359.451 3.313 20 5 FGBDMO CC(C)[C@@H]1CN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC[N@@H+]1C ZINC000577228247 505691406 /nfs/dbraw/zinc/69/14/06/505691406.db2.gz IVVPVHYMWPICDO-IBGZPJMESA-N 1 1 363.461 3.094 20 5 FGBDMO CC(C)[C@@H]1CN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC[N@H+]1C ZINC000577228247 505691408 /nfs/dbraw/zinc/69/14/08/505691408.db2.gz IVVPVHYMWPICDO-IBGZPJMESA-N 1 1 363.461 3.094 20 5 FGBDMO CC[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000032445973 493990344 /nfs/dbraw/zinc/99/03/44/493990344.db2.gz NBWSTPZECHKCBC-IBGZPJMESA-N 1 1 367.449 3.090 20 5 FGBDMO Cc1cc(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc(N2CCCC2)[nH+]1 ZINC000577252133 505694649 /nfs/dbraw/zinc/69/46/49/505694649.db2.gz RRAOCCQWWNHGLF-UHFFFAOYSA-N 1 1 374.828 3.482 20 5 FGBDMO CCOc1ccc(C[N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000007687104 494035842 /nfs/dbraw/zinc/03/58/42/494035842.db2.gz HVSZIGLRAZCTIG-UHFFFAOYSA-N 1 1 357.410 3.372 20 5 FGBDMO CCOc1ccc(C[N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000007687104 494035849 /nfs/dbraw/zinc/03/58/49/494035849.db2.gz HVSZIGLRAZCTIG-UHFFFAOYSA-N 1 1 357.410 3.372 20 5 FGBDMO CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccc(C(=O)N(C)C)cc1 ZINC000077383439 494073355 /nfs/dbraw/zinc/07/33/55/494073355.db2.gz GDERLLWBLZVPGM-UHFFFAOYSA-N 1 1 371.437 3.198 20 5 FGBDMO CSc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000010085427 494142302 /nfs/dbraw/zinc/14/23/02/494142302.db2.gz DJBTXZGLKCSZHS-INIZCTEOSA-N 1 1 371.462 3.321 20 5 FGBDMO Cc1sc(C(=O)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000064735557 494144546 /nfs/dbraw/zinc/14/45/46/494144546.db2.gz SQMKYDGGUAVWMQ-SCRDCRAPSA-N 1 1 351.472 3.442 20 5 FGBDMO CC(C)[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccccc1 ZINC000011035797 494168938 /nfs/dbraw/zinc/16/89/38/494168938.db2.gz LIIAROABNQBHEN-UHFFFAOYSA-N 1 1 353.422 3.395 20 5 FGBDMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000054203902 494206667 /nfs/dbraw/zinc/20/66/67/494206667.db2.gz NACWJFUZCAWFAY-MRXNPFEDSA-N 1 1 354.410 3.149 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3ccccc3[N+](=O)[O-])c2)C[C@H](C)O1 ZINC000078152596 494243632 /nfs/dbraw/zinc/24/36/32/494243632.db2.gz LHOAHGRIOLBGTC-GASCZTMLSA-N 1 1 369.421 3.456 20 5 FGBDMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3ccccc3[N+](=O)[O-])c2)C[C@H](C)O1 ZINC000078152596 494243636 /nfs/dbraw/zinc/24/36/36/494243636.db2.gz LHOAHGRIOLBGTC-GASCZTMLSA-N 1 1 369.421 3.456 20 5 FGBDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000065910517 494254472 /nfs/dbraw/zinc/25/44/72/494254472.db2.gz HCAGROHXRFYXQW-UHFFFAOYSA-N 1 1 363.458 3.087 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@H](Nc3cc(C)c([N+](=O)[O-])cn3)C2)cc(OC)c1 ZINC000088751343 494257785 /nfs/dbraw/zinc/25/77/85/494257785.db2.gz XXPWEKAFLOCLIY-OAHLLOKOSA-N 1 1 372.425 3.002 20 5 FGBDMO COc1ccccc1[C@H](CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[NH+](C)C ZINC000043148479 494271218 /nfs/dbraw/zinc/27/12/18/494271218.db2.gz QTYJPTRCMRZOFB-KRWDZBQOSA-N 1 1 372.425 3.336 20 5 FGBDMO Cc1c(NC(=O)N2CC[NH+](Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000043348295 494290347 /nfs/dbraw/zinc/29/03/47/494290347.db2.gz JBBBEVQAXLQQBH-UHFFFAOYSA-N 1 1 354.410 3.253 20 5 FGBDMO CN(C(=O)C[NH+]1CCC(c2ccc(O)cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000055103365 494301484 /nfs/dbraw/zinc/30/14/84/494301484.db2.gz BMGGOHREPAPGCK-UHFFFAOYSA-N 1 1 369.421 3.143 20 5 FGBDMO O=C(NC1CC1)c1ccc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000078526335 494313343 /nfs/dbraw/zinc/31/33/43/494313343.db2.gz SCQWPYAWMZQGCU-KRWDZBQOSA-N 1 1 372.469 3.163 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)CCOc1ccccc1C ZINC000015099302 494338698 /nfs/dbraw/zinc/33/86/98/494338698.db2.gz KNIJOPKYXSMOSI-UHFFFAOYSA-N 1 1 357.410 3.161 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)CCOc1ccccc1C ZINC000015099302 494338701 /nfs/dbraw/zinc/33/87/01/494338701.db2.gz KNIJOPKYXSMOSI-UHFFFAOYSA-N 1 1 357.410 3.161 20 5 FGBDMO Cc1cccc(OCC[N@@H+](C)[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000015100892 494338821 /nfs/dbraw/zinc/33/88/21/494338821.db2.gz FABSZQIQXAFLDA-OAHLLOKOSA-N 1 1 357.410 3.241 20 5 FGBDMO Cc1cccc(OCC[N@H+](C)[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000015100892 494338823 /nfs/dbraw/zinc/33/88/23/494338823.db2.gz FABSZQIQXAFLDA-OAHLLOKOSA-N 1 1 357.410 3.241 20 5 FGBDMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)C1 ZINC000073303028 494352926 /nfs/dbraw/zinc/35/29/26/494352926.db2.gz CDWFGPLELBBJAW-ZDUSSCGKSA-N 1 1 359.382 3.161 20 5 FGBDMO C[NH+](C)[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000044836520 494383288 /nfs/dbraw/zinc/38/32/88/494383288.db2.gz YKLNGGYBNDUYAY-CYBMUJFWSA-N 1 1 353.831 3.342 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C)C1 ZINC000089912738 494399494 /nfs/dbraw/zinc/39/94/94/494399494.db2.gz AFDZSGDWMCWCAB-RDTXWAMCSA-N 1 1 358.442 3.412 20 5 FGBDMO COc1ccc(C[N@H+]2CCC[C@H]2CO)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000092456055 494632087 /nfs/dbraw/zinc/63/20/87/494632087.db2.gz IOGGAKNTKOMJIM-SFHVURJKSA-N 1 1 372.421 3.139 20 5 FGBDMO O=[N+]([O-])c1ccc(OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c(Cl)c1 ZINC000131497013 494637996 /nfs/dbraw/zinc/63/79/96/494637996.db2.gz KZUCUZHTJXWOHU-INIZCTEOSA-N 1 1 362.813 3.046 20 5 FGBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000047187794 494650942 /nfs/dbraw/zinc/65/09/42/494650942.db2.gz KLJYIXGREHAVEN-ZDUSSCGKSA-N 1 1 353.850 3.490 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000131576976 494662697 /nfs/dbraw/zinc/66/26/97/494662697.db2.gz ZNZPNCGDAYFDIN-CYBMUJFWSA-N 1 1 354.834 3.266 20 5 FGBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)c1 ZINC000126303633 494702217 /nfs/dbraw/zinc/70/22/17/494702217.db2.gz MTDWLILJQAFJCC-ZDUSSCGKSA-N 1 1 371.224 3.251 20 5 FGBDMO COc1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1Cl ZINC000121332328 494706319 /nfs/dbraw/zinc/70/63/19/494706319.db2.gz WJKJLAIOIJKELR-CYBMUJFWSA-N 1 1 362.817 3.338 20 5 FGBDMO COc1ccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1Cl ZINC000121332328 494706328 /nfs/dbraw/zinc/70/63/28/494706328.db2.gz WJKJLAIOIJKELR-CYBMUJFWSA-N 1 1 362.817 3.338 20 5 FGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000091892305 494714200 /nfs/dbraw/zinc/71/42/00/494714200.db2.gz BEWJHISYGKOCIC-MJGOQNOKSA-N 1 1 369.469 3.054 20 5 FGBDMO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000091892305 494714204 /nfs/dbraw/zinc/71/42/04/494714204.db2.gz BEWJHISYGKOCIC-MJGOQNOKSA-N 1 1 369.469 3.054 20 5 FGBDMO CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000091892305 494714215 /nfs/dbraw/zinc/71/42/15/494714215.db2.gz BEWJHISYGKOCIC-MJGOQNOKSA-N 1 1 369.469 3.054 20 5 FGBDMO CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000080501699 494721012 /nfs/dbraw/zinc/72/10/12/494721012.db2.gz UZIKQMXIILDKPB-IBGZPJMESA-N 1 1 367.449 3.260 20 5 FGBDMO O=C(C[N@H+]1CCC[C@H]1Cc1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000025441629 494739876 /nfs/dbraw/zinc/73/98/76/494739876.db2.gz KZRUJYHJEOQNNQ-SFHVURJKSA-N 1 1 365.433 3.191 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](C)CCSC ZINC000126439559 494751817 /nfs/dbraw/zinc/75/18/17/494751817.db2.gz GDICJLIIZDOKKY-GFCCVEGCSA-N 1 1 355.460 3.005 20 5 FGBDMO CCOCCO[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000092067427 494775870 /nfs/dbraw/zinc/77/58/70/494775870.db2.gz VRJJRUNTBBHVBQ-HNNXBMFYSA-N 1 1 360.410 3.482 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000075534977 494788092 /nfs/dbraw/zinc/78/80/92/494788092.db2.gz UJIKXGBRORPODW-GOSISDBHSA-N 1 1 354.410 3.333 20 5 FGBDMO C[C@@H]1C[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)C[N@H+]1Cc1ccccc1 ZINC000132043548 494805641 /nfs/dbraw/zinc/80/56/41/494805641.db2.gz IHCLQMHGGQXTLK-VQIMIIECSA-N 1 1 367.449 3.164 20 5 FGBDMO COc1ccccc1C[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000026223444 494810490 /nfs/dbraw/zinc/81/04/90/494810490.db2.gz PSJFUEYQXWOTSC-UHFFFAOYSA-N 1 1 373.409 3.073 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000026257814 494814243 /nfs/dbraw/zinc/81/42/43/494814243.db2.gz FOHHSQORRKCPGT-UHFFFAOYSA-N 1 1 371.393 3.093 20 5 FGBDMO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126663134 494814379 /nfs/dbraw/zinc/81/43/79/494814379.db2.gz HZWVXFHQNPLRKM-BFUOFWGJSA-N 1 1 368.437 3.165 20 5 FGBDMO CCCC[N@H+](Cc1ccccc1Cl)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075684755 494816469 /nfs/dbraw/zinc/81/64/69/494816469.db2.gz MJPUZRCUORJFAM-INIZCTEOSA-N 1 1 366.849 3.108 20 5 FGBDMO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000093200885 494841989 /nfs/dbraw/zinc/84/19/89/494841989.db2.gz QKBNLCKQZUVWEH-OAHLLOKOSA-N 1 1 359.430 3.026 20 5 FGBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000109313091 494858359 /nfs/dbraw/zinc/85/83/59/494858359.db2.gz WDWPOFCVUHWQCE-IBGZPJMESA-N 1 1 368.437 3.117 20 5 FGBDMO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000093282668 494860231 /nfs/dbraw/zinc/86/02/31/494860231.db2.gz QMLITTKLWAVXNR-AWEZNQCLSA-N 1 1 350.415 3.015 20 5 FGBDMO Cc1ccc(OC2CC[NH+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)cc1 ZINC000116883299 494866505 /nfs/dbraw/zinc/86/65/05/494866505.db2.gz IMJFMOYZBRKOTJ-UHFFFAOYSA-N 1 1 369.421 3.046 20 5 FGBDMO COc1ccc(NC(=O)C[N@H+](C)[C@H](C)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000027557467 494872857 /nfs/dbraw/zinc/87/28/57/494872857.db2.gz ANZWSTZQGIJFEH-GFCCVEGCSA-N 1 1 361.373 3.374 20 5 FGBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000027557467 494872861 /nfs/dbraw/zinc/87/28/61/494872861.db2.gz ANZWSTZQGIJFEH-GFCCVEGCSA-N 1 1 361.373 3.374 20 5 FGBDMO Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc([N+](=O)[O-])c1 ZINC000121915161 494888440 /nfs/dbraw/zinc/88/84/40/494888440.db2.gz LCRHIEAWUIFDPG-UHFFFAOYSA-N 1 1 353.422 3.251 20 5 FGBDMO CC(C)Cc1ncc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000093534928 494898867 /nfs/dbraw/zinc/89/88/67/494898867.db2.gz LDIPKINFZARRCL-CYBMUJFWSA-N 1 1 361.471 3.331 20 5 FGBDMO COc1ccc(C[N@@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)cc1 ZINC000117333628 494912139 /nfs/dbraw/zinc/91/21/39/494912139.db2.gz FKKGZZMEPLZJNQ-UHFFFAOYSA-N 1 1 371.393 3.033 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000132914391 494942320 /nfs/dbraw/zinc/94/23/20/494942320.db2.gz XNRMTQOQTJADDQ-OKILXGFUSA-N 1 1 351.422 3.222 20 5 FGBDMO Cc1nc(C[NH+]2CCC(CNC(=O)c3ccc([N+](=O)[O-])cc3)CC2)cs1 ZINC000111042583 495033623 /nfs/dbraw/zinc/03/36/23/495033623.db2.gz RWDMVELZOXQJBB-UHFFFAOYSA-N 1 1 374.466 3.002 20 5 FGBDMO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](c2cccc(Cl)c2)c2ccccn2)n1 ZINC000133735433 495054005 /nfs/dbraw/zinc/05/40/05/495054005.db2.gz PVEARKJZDMCFJE-KRWDZBQOSA-N 1 1 357.801 3.219 20 5 FGBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000134324936 495135120 /nfs/dbraw/zinc/13/51/20/495135120.db2.gz KROQBPROCYUCNU-CYBMUJFWSA-N 1 1 351.422 3.364 20 5 FGBDMO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000119424671 495164543 /nfs/dbraw/zinc/16/45/43/495164543.db2.gz VUNINVIHOGNKDN-HNAYVOBHSA-N 1 1 369.469 3.430 20 5 FGBDMO C[C@@H]1CCC[N@H+]1C1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000134752758 495195795 /nfs/dbraw/zinc/19/57/95/495195795.db2.gz VUJFSVNQYRIDDO-CQSZACIVSA-N 1 1 371.441 3.094 20 5 FGBDMO Cc1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000580471757 505766952 /nfs/dbraw/zinc/76/69/52/505766952.db2.gz FGDXGRGWPPIWJU-SFHVURJKSA-N 1 1 354.410 3.424 20 5 FGBDMO Cc1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000580471757 505766956 /nfs/dbraw/zinc/76/69/56/505766956.db2.gz FGDXGRGWPPIWJU-SFHVURJKSA-N 1 1 354.410 3.424 20 5 FGBDMO O=C(CC[N@H+]1CC[C@@H](Cc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000124323534 495269945 /nfs/dbraw/zinc/26/99/45/495269945.db2.gz XGYFCXIFXZLKOC-KRWDZBQOSA-N 1 1 353.422 3.488 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CCc1ccccn1 ZINC000129911160 495313012 /nfs/dbraw/zinc/31/30/12/495313012.db2.gz XNAMEMMUPNRXCH-LBPRGKRZSA-N 1 1 362.817 3.145 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)CCc1ccccn1 ZINC000129911160 495313017 /nfs/dbraw/zinc/31/30/17/495313017.db2.gz XNAMEMMUPNRXCH-LBPRGKRZSA-N 1 1 362.817 3.145 20 5 FGBDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000130510418 495403499 /nfs/dbraw/zinc/40/34/99/495403499.db2.gz DTHDLPKUZAWSHY-QGZVFWFLSA-N 1 1 371.441 3.409 20 5 FGBDMO Cc1c(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000114644853 495403940 /nfs/dbraw/zinc/40/39/40/495403940.db2.gz DMPBSPPZHIJYKU-QGZVFWFLSA-N 1 1 353.422 3.298 20 5 FGBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000120573950 495408200 /nfs/dbraw/zinc/40/82/00/495408200.db2.gz GNDIMLBJGLQOLW-OAHLLOKOSA-N 1 1 360.458 3.001 20 5 FGBDMO O=c1cc(C[N@H+]2CCC[C@@H](Cn3cncn3)C2)c2c(ccc3ccccc32)o1 ZINC000106176420 495423276 /nfs/dbraw/zinc/42/32/76/495423276.db2.gz UYSGKDDZVFIGLX-MRXNPFEDSA-N 1 1 374.444 3.450 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000137214446 495430239 /nfs/dbraw/zinc/43/02/39/495430239.db2.gz CASLALGNLLDRLX-LBPRGKRZSA-N 1 1 362.455 3.278 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+](C)[C@H](C)C[S@@](C)=O)o2)c([N+](=O)[O-])c1 ZINC000130861966 495458011 /nfs/dbraw/zinc/45/80/11/495458011.db2.gz UZJOOIAEWXGEBT-YDBLSZJJSA-N 1 1 366.439 3.062 20 5 FGBDMO COc1ccc(-c2ccc(C[N@@H+](C)[C@H](C)C[S@@](C)=O)o2)c([N+](=O)[O-])c1 ZINC000130861966 495458016 /nfs/dbraw/zinc/45/80/16/495458016.db2.gz UZJOOIAEWXGEBT-YDBLSZJJSA-N 1 1 366.439 3.062 20 5 FGBDMO NC(=O)c1ccc(C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000138785017 495468065 /nfs/dbraw/zinc/46/80/65/495468065.db2.gz VPXMVUJRRLWKTH-GOSISDBHSA-N 1 1 351.406 3.346 20 5 FGBDMO CSc1ccc(C(=O)N2CCC([N@H+]3CCC[C@H]3C)CC2)cc1[N+](=O)[O-] ZINC000125595247 495468517 /nfs/dbraw/zinc/46/85/17/495468517.db2.gz SKKYETTXDYMQBM-CYBMUJFWSA-N 1 1 363.483 3.406 20 5 FGBDMO C[NH+](C)[C@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccco1 ZINC000131202825 495505486 /nfs/dbraw/zinc/50/54/86/495505486.db2.gz DFVKRJHRVMICBV-QGZVFWFLSA-N 1 1 372.425 3.165 20 5 FGBDMO CCc1ccc(C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000173463819 495541413 /nfs/dbraw/zinc/54/14/13/495541413.db2.gz TVGKELPEGJMLLL-UHFFFAOYSA-N 1 1 368.437 3.259 20 5 FGBDMO Cc1ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000179463430 495601779 /nfs/dbraw/zinc/60/17/79/495601779.db2.gz ZCLSJXCRYIDHBI-FUHWJXTLSA-N 1 1 354.410 3.470 20 5 FGBDMO COc1ccnc(N2CC[NH+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC000182747491 495685804 /nfs/dbraw/zinc/68/58/04/495685804.db2.gz JGEHNBBCPSXVRG-OAHLLOKOSA-N 1 1 356.426 3.190 20 5 FGBDMO COc1cc[nH+]c(N2CCN([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC000182747491 495685811 /nfs/dbraw/zinc/68/58/11/495685811.db2.gz JGEHNBBCPSXVRG-OAHLLOKOSA-N 1 1 356.426 3.190 20 5 FGBDMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176731523 495765951 /nfs/dbraw/zinc/76/59/51/495765951.db2.gz XGEJKCSXLUUFFL-PBHICJAKSA-N 1 1 371.441 3.343 20 5 FGBDMO CC(C)c1ccc(C[NH2+]C(C)(C)CCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000185893244 495767595 /nfs/dbraw/zinc/76/75/95/495767595.db2.gz MBPCLEDGQHSJKD-UHFFFAOYSA-N 1 1 362.518 3.224 20 5 FGBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000155041818 495814726 /nfs/dbraw/zinc/81/47/26/495814726.db2.gz OAHQQUPBCGTDAU-NVXWUHKLSA-N 1 1 359.470 3.449 20 5 FGBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000171412725 495863820 /nfs/dbraw/zinc/86/38/20/495863820.db2.gz BODZQEJAKKBEHE-KRWDZBQOSA-N 1 1 374.441 3.411 20 5 FGBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3cn4ccccc4n3)CC2)cc1 ZINC000174241458 495879204 /nfs/dbraw/zinc/87/92/04/495879204.db2.gz DVTJJNXMBVNUAM-UHFFFAOYSA-N 1 1 352.394 3.286 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000183214360 495883189 /nfs/dbraw/zinc/88/31/89/495883189.db2.gz OTVXVEXQPLPYLW-UAGQMJEPSA-N 1 1 360.458 3.090 20 5 FGBDMO CSc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000180158110 495885320 /nfs/dbraw/zinc/88/53/20/495885320.db2.gz MZHBVBIPOQCCMH-YJBOKZPZSA-N 1 1 371.462 3.492 20 5 FGBDMO COc1cc(C[N@@H+](C)C[C@@H](C)c2nccs2)c([N+](=O)[O-])cc1OC ZINC000183256158 495902548 /nfs/dbraw/zinc/90/25/48/495902548.db2.gz DYGISALXIBUERV-LLVKDONJSA-N 1 1 351.428 3.304 20 5 FGBDMO C[N@@H+](CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000177063040 495907432 /nfs/dbraw/zinc/90/74/32/495907432.db2.gz KYODRLQXLOVSSH-UHFFFAOYSA-N 1 1 365.792 3.249 20 5 FGBDMO C[C@@H]([NH2+]CC(=O)Nc1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 ZINC000180418588 495988884 /nfs/dbraw/zinc/98/88/84/495988884.db2.gz CISGHYPFCFNXAY-LLVKDONJSA-N 1 1 356.407 3.494 20 5 FGBDMO C[C@@H]([N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1(C)CC1 ZINC000177240206 495989949 /nfs/dbraw/zinc/98/99/49/495989949.db2.gz HPCJKTZPLOEJNY-SNVBAGLBSA-N 1 1 370.247 3.416 20 5 FGBDMO COc1cc(C[N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1O ZINC000174538966 496001461 /nfs/dbraw/zinc/00/14/61/496001461.db2.gz WBQFMWRYPPCTLA-UHFFFAOYSA-N 1 1 373.409 3.078 20 5 FGBDMO C[NH+](C)[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccccc1Cl ZINC000177287943 496006750 /nfs/dbraw/zinc/00/67/50/496006750.db2.gz XLVSSVQEEUNLRY-INIZCTEOSA-N 1 1 365.792 3.420 20 5 FGBDMO Cc1csc([C@H]([NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C2CC2)n1 ZINC000183546591 496025839 /nfs/dbraw/zinc/02/58/39/496025839.db2.gz GOVHUWZDGNGATG-HZPDHXFCSA-N 1 1 372.450 3.206 20 5 FGBDMO C[C@H]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000183646500 496060208 /nfs/dbraw/zinc/06/02/08/496060208.db2.gz VXZONXLXCWREBP-HNNXBMFYSA-N 1 1 369.425 3.118 20 5 FGBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@]4(C3)OCc3ccccc34)nc2c1 ZINC000186636631 496083172 /nfs/dbraw/zinc/08/31/72/496083172.db2.gz OFHGSNBEVUUYFZ-LJQANCHMSA-N 1 1 351.362 3.367 20 5 FGBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@]4(C3)OCc3ccccc34)nc2c1 ZINC000186636631 496083182 /nfs/dbraw/zinc/08/31/82/496083182.db2.gz OFHGSNBEVUUYFZ-LJQANCHMSA-N 1 1 351.362 3.367 20 5 FGBDMO C[C@@H](NCc1ccccc1C[NH+]1CCC(O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000161144474 496113758 /nfs/dbraw/zinc/11/37/58/496113758.db2.gz XFEWAFSYPCMFDK-MRXNPFEDSA-N 1 1 369.465 3.402 20 5 FGBDMO Cc1c(CC(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000161145411 496113785 /nfs/dbraw/zinc/11/37/85/496113785.db2.gz RLHZKMZCCWLWHK-HNNXBMFYSA-N 1 1 367.449 3.009 20 5 FGBDMO O=[N+]([O-])c1cnn(CC[N@@H+](Cc2ccc3c(c2)CCO3)C2CCCC2)c1 ZINC000174844582 496129625 /nfs/dbraw/zinc/12/96/25/496129625.db2.gz BCIQAYMWRWZXNJ-UHFFFAOYSA-N 1 1 356.426 3.171 20 5 FGBDMO Cc1c(CC(=O)NCCC[N@H+]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000161234807 496133599 /nfs/dbraw/zinc/13/35/99/496133599.db2.gz WKXWFCWEBQXYRG-UHFFFAOYSA-N 1 1 367.449 3.010 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2c(N)cccc2[N+](=O)[O-])cc1 ZINC000180847987 496169780 /nfs/dbraw/zinc/16/97/80/496169780.db2.gz IXCBEICPSGGERV-GFCCVEGCSA-N 1 1 365.393 3.162 20 5 FGBDMO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000172122347 496174456 /nfs/dbraw/zinc/17/44/56/496174456.db2.gz SSGJQMAVOGWZSK-JTQLQIEISA-N 1 1 372.830 3.031 20 5 FGBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000174952679 496179316 /nfs/dbraw/zinc/17/93/16/496179316.db2.gz OBCMLSDBBODPHW-HNNXBMFYSA-N 1 1 359.451 3.250 20 5 FGBDMO CCOC(=O)CC[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000161934127 496264905 /nfs/dbraw/zinc/26/49/05/496264905.db2.gz WTMGHDHFZYYQRY-CYBMUJFWSA-N 1 1 361.398 3.291 20 5 FGBDMO Cc1c(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000156550215 496276601 /nfs/dbraw/zinc/27/66/01/496276601.db2.gz RPQLYPIKBVHDQW-KDOFPFPSSA-N 1 1 358.442 3.384 20 5 FGBDMO CCOc1ccc([C@H](C)[NH2+]C2CCN(CCCOC)CC2)cc1[N+](=O)[O-] ZINC000153512710 496480262 /nfs/dbraw/zinc/48/02/62/496480262.db2.gz UYVKMDRJZDWAEY-HNNXBMFYSA-N 1 1 365.474 3.145 20 5 FGBDMO COc1cc(C[NH2+][C@H](C)c2cccnc2)c([N+](=O)[O-])cc1OC(F)F ZINC000181663338 496492974 /nfs/dbraw/zinc/49/29/74/496492974.db2.gz CDYQJBUGLZAMTO-SNVBAGLBSA-N 1 1 353.325 3.451 20 5 FGBDMO COc1cc(C[NH2+][C@@H](C)c2cccnc2)c([N+](=O)[O-])cc1OC(F)F ZINC000181663318 496493068 /nfs/dbraw/zinc/49/30/68/496493068.db2.gz CDYQJBUGLZAMTO-JTQLQIEISA-N 1 1 353.325 3.451 20 5 FGBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC[C@@H]21 ZINC000178569309 496502238 /nfs/dbraw/zinc/50/22/38/496502238.db2.gz QOFJTEQISRSHOP-WFASDCNBSA-N 1 1 359.451 3.366 20 5 FGBDMO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000153717768 496555878 /nfs/dbraw/zinc/55/58/78/496555878.db2.gz VJDYAGIEKXIGGG-HQWTUQCVSA-N 1 1 355.438 3.083 20 5 FGBDMO CC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H](C)Cc1ccsc1 ZINC000187803277 496578203 /nfs/dbraw/zinc/57/82/03/496578203.db2.gz IFLFDVVUXATZAG-AWEZNQCLSA-N 1 1 373.478 3.499 20 5 FGBDMO CCOCCC[N@H+]1CC[C@H](Nc2ncc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000153784239 496579186 /nfs/dbraw/zinc/57/91/86/496579186.db2.gz JMHNOVILQNVMIW-OCCSQVGLSA-N 1 1 356.854 3.192 20 5 FGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(n3cncn3)CC2)c(C(F)(F)F)c1 ZINC000157940627 496590629 /nfs/dbraw/zinc/59/06/29/496590629.db2.gz XMTPVKVNJAMSOZ-UHFFFAOYSA-N 1 1 355.320 3.042 20 5 FGBDMO NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000185036089 496631400 /nfs/dbraw/zinc/63/14/00/496631400.db2.gz NRUBRXOJNACTDJ-HNNXBMFYSA-N 1 1 368.220 3.088 20 5 FGBDMO C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1nc(-c2cccc(F)c2)no1 ZINC000185103603 496661959 /nfs/dbraw/zinc/66/19/59/496661959.db2.gz CMJHTEXHFGEGEQ-BDJLRTHQSA-N 1 1 372.356 3.168 20 5 FGBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000182134415 496683005 /nfs/dbraw/zinc/68/30/05/496683005.db2.gz VPFATWMLLVYMSM-KRWDZBQOSA-N 1 1 360.483 3.490 20 5 FGBDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1C ZINC000188105897 496685758 /nfs/dbraw/zinc/68/57/58/496685758.db2.gz GBONHFDWFAAOIE-ZFWWWQNUSA-N 1 1 358.394 3.486 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000158421397 496697964 /nfs/dbraw/zinc/69/79/64/496697964.db2.gz YAFDUYGVBUPDTR-OLZOCXBDSA-N 1 1 351.472 3.262 20 5 FGBDMO CC[C@@H]1c2ccsc2CC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182209926 496708427 /nfs/dbraw/zinc/70/84/27/496708427.db2.gz VHMFLWOMNQMARV-DZGCQCFKSA-N 1 1 362.451 3.405 20 5 FGBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc(SC)c2[N+](=O)[O-])C1 ZINC000188179747 496710475 /nfs/dbraw/zinc/71/04/75/496710475.db2.gz KUGCWJSTRLPUOA-ZDUSSCGKSA-N 1 1 351.472 3.121 20 5 FGBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000273204121 496738763 /nfs/dbraw/zinc/73/87/63/496738763.db2.gz LPGBLSRVYRASKV-LBPRGKRZSA-N 1 1 371.890 3.141 20 5 FGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188329017 496754801 /nfs/dbraw/zinc/75/48/01/496754801.db2.gz VIKZSTKIHPUUGT-DYESRHJHSA-N 1 1 369.465 3.225 20 5 FGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000188329017 496754805 /nfs/dbraw/zinc/75/48/05/496754805.db2.gz VIKZSTKIHPUUGT-DYESRHJHSA-N 1 1 369.465 3.225 20 5 FGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000188329017 496754811 /nfs/dbraw/zinc/75/48/11/496754811.db2.gz VIKZSTKIHPUUGT-DYESRHJHSA-N 1 1 369.465 3.225 20 5 FGBDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000191472433 496774167 /nfs/dbraw/zinc/77/41/67/496774167.db2.gz MIGZQVUTTPQJGZ-LJQANCHMSA-N 1 1 372.421 3.151 20 5 FGBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000247115735 496783987 /nfs/dbraw/zinc/78/39/87/496783987.db2.gz YNIQAORMLVSCEU-UONOGXRCSA-N 1 1 351.472 3.383 20 5 FGBDMO COC[C@H](Cc1ccccc1)[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000191497231 496784854 /nfs/dbraw/zinc/78/48/54/496784854.db2.gz HACAMVAGEQPXDF-SFHVURJKSA-N 1 1 371.437 3.031 20 5 FGBDMO COC[C@H](Cc1ccccc1)[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000191497231 496784856 /nfs/dbraw/zinc/78/48/56/496784856.db2.gz HACAMVAGEQPXDF-SFHVURJKSA-N 1 1 371.437 3.031 20 5 FGBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000264085424 496808543 /nfs/dbraw/zinc/80/85/43/496808543.db2.gz PFQYAVBUPNKTFP-ROUUACIJSA-N 1 1 360.458 3.142 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(c2ccncc2)CC1 ZINC000191665748 496850274 /nfs/dbraw/zinc/85/02/74/496850274.db2.gz YXINNCFVXNBBTD-UHFFFAOYSA-N 1 1 354.410 3.116 20 5 FGBDMO Cc1nnc([C@H](C)[NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)s1 ZINC000273671403 496870890 /nfs/dbraw/zinc/87/08/90/496870890.db2.gz ZERGRUWHXCCSNL-JTQLQIEISA-N 1 1 359.411 3.303 20 5 FGBDMO C[C@H](c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)[NH+]1CCOCC1 ZINC000264422240 496897487 /nfs/dbraw/zinc/89/74/87/496897487.db2.gz IXXJSJKDHIWXEX-CQSZACIVSA-N 1 1 355.394 3.240 20 5 FGBDMO C[NH+](C)[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000273986716 496982028 /nfs/dbraw/zinc/98/20/28/496982028.db2.gz ZPGUGCOSEARZQJ-OAHLLOKOSA-N 1 1 363.389 3.024 20 5 FGBDMO Cc1c(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000248747874 497097466 /nfs/dbraw/zinc/09/74/66/497097466.db2.gz FPZXNTKMMGBOAL-KDOFPFPSSA-N 1 1 353.422 3.154 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C ZINC000248910599 497132890 /nfs/dbraw/zinc/13/28/90/497132890.db2.gz QTNGMRMPZSASMV-SUMWQHHRSA-N 1 1 358.394 3.486 20 5 FGBDMO CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000274685706 497145095 /nfs/dbraw/zinc/14/50/95/497145095.db2.gz NXVWHYRMZGKRFU-UHFFFAOYSA-N 1 1 369.421 3.037 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000192622894 497165829 /nfs/dbraw/zinc/16/58/29/497165829.db2.gz MHAAOYYUQMPBHQ-OAHLLOKOSA-N 1 1 353.422 3.080 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)cc1 ZINC000265986788 497225818 /nfs/dbraw/zinc/22/58/18/497225818.db2.gz LBAUNHQUXBWMQQ-QGZVFWFLSA-N 1 1 366.377 3.218 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)cc1 ZINC000265986788 497225821 /nfs/dbraw/zinc/22/58/21/497225821.db2.gz LBAUNHQUXBWMQQ-QGZVFWFLSA-N 1 1 366.377 3.218 20 5 FGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000249684746 497232245 /nfs/dbraw/zinc/23/22/45/497232245.db2.gz LOPZBVDTNDZQBS-GXTWGEPZSA-N 1 1 368.397 3.309 20 5 FGBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000249781100 497247631 /nfs/dbraw/zinc/24/76/31/497247631.db2.gz PTSKOZHKUWTWCC-XHSDSOJGSA-N 1 1 362.474 3.103 20 5 FGBDMO C[C@H]1C[C@H](N(C)C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000266282841 497295447 /nfs/dbraw/zinc/29/54/47/497295447.db2.gz HAICOVUGBGNQFK-CMPLNLGQSA-N 1 1 359.348 3.168 20 5 FGBDMO CCC[C@H](NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000271432616 497348266 /nfs/dbraw/zinc/34/82/66/497348266.db2.gz BFALIAKWHSUMJE-SLFFLAALSA-N 1 1 361.486 3.403 20 5 FGBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275687562 497403994 /nfs/dbraw/zinc/40/39/94/497403994.db2.gz PFZYNWJTPBYWLP-PMACEKPBSA-N 1 1 361.445 3.450 20 5 FGBDMO Cc1c(CC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000193793974 497484106 /nfs/dbraw/zinc/48/41/06/497484106.db2.gz LHKIBNKQCRMACE-GOSISDBHSA-N 1 1 367.449 3.084 20 5 FGBDMO CC[NH+]1CC[C@H]([N@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245764072 497532015 /nfs/dbraw/zinc/53/20/15/497532015.db2.gz QIFVMJQFLGRGLD-KXBFYZLASA-N 1 1 371.485 3.157 20 5 FGBDMO CC[NH+]1CC[C@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245764072 497532019 /nfs/dbraw/zinc/53/20/19/497532019.db2.gz QIFVMJQFLGRGLD-KXBFYZLASA-N 1 1 371.485 3.157 20 5 FGBDMO CC[N@@H+]1CC[C@H](N(C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245764072 497532021 /nfs/dbraw/zinc/53/20/21/497532021.db2.gz QIFVMJQFLGRGLD-KXBFYZLASA-N 1 1 371.485 3.157 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245764072 497532027 /nfs/dbraw/zinc/53/20/27/497532027.db2.gz QIFVMJQFLGRGLD-KXBFYZLASA-N 1 1 371.485 3.157 20 5 FGBDMO CCN1CC[C@H]([N@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245764072 497532032 /nfs/dbraw/zinc/53/20/32/497532032.db2.gz QIFVMJQFLGRGLD-KXBFYZLASA-N 1 1 371.485 3.157 20 5 FGBDMO CCN1CC[C@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245764072 497532035 /nfs/dbraw/zinc/53/20/35/497532035.db2.gz QIFVMJQFLGRGLD-KXBFYZLASA-N 1 1 371.485 3.157 20 5 FGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000267577349 497581308 /nfs/dbraw/zinc/58/13/08/497581308.db2.gz LXVMODXJXIRIBF-OLZOCXBDSA-N 1 1 371.359 3.312 20 5 FGBDMO Cc1nc2ccc(C[NH+]3CCN(c4ccc([N+](=O)[O-])nc4)CC3)cc2s1 ZINC000572221357 505917776 /nfs/dbraw/zinc/91/77/76/505917776.db2.gz HXUWEFPMMDEBFU-UHFFFAOYSA-N 1 1 369.450 3.230 20 5 FGBDMO CC[N@H+](Cc1ccncc1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000267864421 497631163 /nfs/dbraw/zinc/63/11/63/497631163.db2.gz BMMBVNGSHFYLMF-GFCCVEGCSA-N 1 1 362.817 3.492 20 5 FGBDMO CC[N@@H+](Cc1ccncc1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000267864421 497631166 /nfs/dbraw/zinc/63/11/66/497631166.db2.gz BMMBVNGSHFYLMF-GFCCVEGCSA-N 1 1 362.817 3.492 20 5 FGBDMO COc1cc(C[NH2+]Cc2ccc(C)nc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272479064 497641020 /nfs/dbraw/zinc/64/10/20/497641020.db2.gz SOIFTEIGRILCQZ-UHFFFAOYSA-N 1 1 367.352 3.241 20 5 FGBDMO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000272494499 497644279 /nfs/dbraw/zinc/64/42/79/497644279.db2.gz HRHXZHRWYMZBOP-GJZGRUSLSA-N 1 1 361.442 3.027 20 5 FGBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000272494499 497644285 /nfs/dbraw/zinc/64/42/85/497644285.db2.gz HRHXZHRWYMZBOP-GJZGRUSLSA-N 1 1 361.442 3.027 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]CCCOc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000272534929 497653895 /nfs/dbraw/zinc/65/38/95/497653895.db2.gz NVQKWBIQCIVZKB-IBGZPJMESA-N 1 1 366.421 3.476 20 5 FGBDMO CC(C)[C@@H]1C[C@@H]([NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000272540148 497655051 /nfs/dbraw/zinc/65/50/51/497655051.db2.gz OWKJFPKXHPFSSW-SZMVWBNQSA-N 1 1 358.442 3.211 20 5 FGBDMO COc1cc(C[N@@H+]2CCCSCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272570134 497665899 /nfs/dbraw/zinc/66/58/99/497665899.db2.gz JRBGIMBXICESLI-UHFFFAOYSA-N 1 1 362.398 3.186 20 5 FGBDMO COc1cc(C[N@H+]2CCCSCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272570134 497665902 /nfs/dbraw/zinc/66/59/02/497665902.db2.gz JRBGIMBXICESLI-UHFFFAOYSA-N 1 1 362.398 3.186 20 5 FGBDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000272574785 497667108 /nfs/dbraw/zinc/66/71/08/497667108.db2.gz VOJVYGKHTUYJKE-WCQYABFASA-N 1 1 355.460 3.391 20 5 FGBDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000272574785 497667113 /nfs/dbraw/zinc/66/71/13/497667113.db2.gz VOJVYGKHTUYJKE-WCQYABFASA-N 1 1 355.460 3.391 20 5 FGBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000246392225 497718270 /nfs/dbraw/zinc/71/82/70/497718270.db2.gz KQGRCLUILAWPHX-LSDHHAIUSA-N 1 1 365.499 3.170 20 5 FGBDMO C[C@@H](NC(=O)Nc1ccncc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272766724 497725169 /nfs/dbraw/zinc/72/51/69/497725169.db2.gz WRDOGELIVQLWRC-GDBMZVCRSA-N 1 1 369.425 3.022 20 5 FGBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000246497127 497753578 /nfs/dbraw/zinc/75/35/78/497753578.db2.gz ITIILXVSBGSCID-LSDHHAIUSA-N 1 1 363.433 3.461 20 5 FGBDMO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@H](C)C1 ZINC000246697253 497801536 /nfs/dbraw/zinc/80/15/36/497801536.db2.gz KRVYEAOMUFEXOV-QWHCGFSZSA-N 1 1 353.850 3.027 20 5 FGBDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000581217477 505935896 /nfs/dbraw/zinc/93/58/96/505935896.db2.gz JFXRCLZPHTXVLG-CRAIPNDOSA-N 1 1 371.437 3.150 20 5 FGBDMO CC(=O)NCc1ccc([C@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2C)o1 ZINC000364243440 497858169 /nfs/dbraw/zinc/85/81/69/497858169.db2.gz XDQUTGCIWQVYNQ-GOSISDBHSA-N 1 1 357.410 3.469 20 5 FGBDMO CCn1c(C)nc([N+](=O)[O-])c1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000572317210 505939794 /nfs/dbraw/zinc/93/97/94/505939794.db2.gz RILZTTOGLSWJDC-QGZVFWFLSA-N 1 1 357.458 3.220 20 5 FGBDMO CCC[C@]1(CO)CC[N@@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000288829675 497913585 /nfs/dbraw/zinc/91/35/85/497913585.db2.gz NSKJJXQXTZLDEG-KRWDZBQOSA-N 1 1 374.384 3.189 20 5 FGBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000581272898 505948833 /nfs/dbraw/zinc/94/88/33/505948833.db2.gz VVWMMWLTHPYZCW-CABCVRRESA-N 1 1 365.384 3.255 20 5 FGBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000581272898 505948837 /nfs/dbraw/zinc/94/88/37/505948837.db2.gz VVWMMWLTHPYZCW-CABCVRRESA-N 1 1 365.384 3.255 20 5 FGBDMO C[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000301109335 497956067 /nfs/dbraw/zinc/95/60/67/497956067.db2.gz NIOFGVJHMVIZFA-CVEARBPZSA-N 1 1 374.485 3.363 20 5 FGBDMO Cc1c([C@@H](C)[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cccc1[N+](=O)[O-] ZINC000296262289 497976386 /nfs/dbraw/zinc/97/63/86/497976386.db2.gz DISGWODECFLCKU-OWCLPIDISA-N 1 1 353.422 3.245 20 5 FGBDMO CCc1[nH+]ccn1C[C@H]1CCCN1c1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000581321236 505960347 /nfs/dbraw/zinc/96/03/47/505960347.db2.gz CICHZVJUJKYZPP-CQSZACIVSA-N 1 1 359.430 3.205 20 5 FGBDMO C[C@H](C(=O)c1c[nH]c2ncccc12)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285231205 498027630 /nfs/dbraw/zinc/02/76/30/498027630.db2.gz FZBSMPPQZUIISQ-CYBMUJFWSA-N 1 1 352.394 3.217 20 5 FGBDMO C[C@H](C(=O)c1c[nH]c2ncccc12)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285231205 498027622 /nfs/dbraw/zinc/02/76/22/498027622.db2.gz FZBSMPPQZUIISQ-CYBMUJFWSA-N 1 1 352.394 3.217 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1nc2sccn2c1[N+](=O)[O-] ZINC000301308905 498050100 /nfs/dbraw/zinc/05/01/00/498050100.db2.gz DJJGZHIXHUSAQN-OCCSQVGLSA-N 1 1 372.454 3.022 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CCN(c2cc[nH+]c3ccsc32)CC1 ZINC000301366730 498076173 /nfs/dbraw/zinc/07/61/73/498076173.db2.gz NUCLRRQMFIGMDO-UHFFFAOYSA-N 1 1 374.447 3.228 20 5 FGBDMO COc1cc(F)c([N+](=O)[O-])c(NCC2([NH+]3CCOCC3)CCCCC2)c1 ZINC000301379876 498082727 /nfs/dbraw/zinc/08/27/27/498082727.db2.gz ZRGKNQGQAKZDFF-UHFFFAOYSA-N 1 1 367.421 3.190 20 5 FGBDMO Cc1noc(C)c1C[NH+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000296537941 498084902 /nfs/dbraw/zinc/08/49/02/498084902.db2.gz NRNMDWYTYVUUHE-UHFFFAOYSA-N 1 1 367.409 3.070 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@H](c4ccncc4)C3)n2)c1 ZINC000289408494 498135444 /nfs/dbraw/zinc/13/54/44/498135444.db2.gz SRWNFNFTTHBMEZ-MRXNPFEDSA-N 1 1 365.393 3.419 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@H](c4ccncc4)C3)n2)c1 ZINC000289408494 498135449 /nfs/dbraw/zinc/13/54/49/498135449.db2.gz SRWNFNFTTHBMEZ-MRXNPFEDSA-N 1 1 365.393 3.419 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000285636407 498155312 /nfs/dbraw/zinc/15/53/12/498155312.db2.gz RLARXXIDIATYHR-HNNXBMFYSA-N 1 1 362.348 3.273 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000285636407 498155319 /nfs/dbraw/zinc/15/53/19/498155319.db2.gz RLARXXIDIATYHR-HNNXBMFYSA-N 1 1 362.348 3.273 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000289512919 498175532 /nfs/dbraw/zinc/17/55/32/498175532.db2.gz KXDWWWLHDNETHC-MJGOQNOKSA-N 1 1 373.453 3.265 20 5 FGBDMO COc1cc(C(=O)N2CCC([N@H+]3CCC[C@H]3C)CC2)cc([N+](=O)[O-])c1C ZINC000365056073 498275476 /nfs/dbraw/zinc/27/54/76/498275476.db2.gz XVPCKPWYEYAIQP-CYBMUJFWSA-N 1 1 361.442 3.001 20 5 FGBDMO Cc1cc(N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301839912 498289555 /nfs/dbraw/zinc/28/95/55/498289555.db2.gz XRTZCBSEVRFICB-FUHWJXTLSA-N 1 1 367.453 3.281 20 5 FGBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000331715499 498429334 /nfs/dbraw/zinc/42/93/34/498429334.db2.gz NUDIYMQHUYVIQH-CHWSQXEVSA-N 1 1 369.874 3.083 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)N2CCC([N@H+]3CCC[C@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000361955256 498445078 /nfs/dbraw/zinc/44/50/78/498445078.db2.gz MJOIGJOCSSZKIK-ZBFHGGJFSA-N 1 1 374.485 3.179 20 5 FGBDMO C[C@@H](NC(=O)N(C)CCC[N@@H+](C)Cc1ccco1)c1ccccc1[N+](=O)[O-] ZINC000286718474 498486124 /nfs/dbraw/zinc/48/61/24/498486124.db2.gz KIGDVROWUMEUKJ-OAHLLOKOSA-N 1 1 374.441 3.412 20 5 FGBDMO O=[N+]([O-])c1ccc2c(c1N1CCC[N@@H+](Cc3ccccc3)CC1)CCN2 ZINC000302520713 498500885 /nfs/dbraw/zinc/50/08/85/498500885.db2.gz BRASKPSXHZDOCQ-UHFFFAOYSA-N 1 1 352.438 3.275 20 5 FGBDMO NC(=O)CCC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000293859623 498514611 /nfs/dbraw/zinc/51/46/11/498514611.db2.gz RSAMUQCGQOWIDN-UHFFFAOYSA-N 1 1 359.348 3.091 20 5 FGBDMO Cc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc(N2CCCC2)[nH+]1 ZINC000290363467 498524584 /nfs/dbraw/zinc/52/45/84/498524584.db2.gz MOSFQCFXNOTCSI-UHFFFAOYSA-N 1 1 374.828 3.482 20 5 FGBDMO C[NH+](C)[C@H](C(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)cc1 ZINC000572778009 506050227 /nfs/dbraw/zinc/05/02/27/506050227.db2.gz XYZGKLLYFNNSOY-KRWDZBQOSA-N 1 1 359.813 3.440 20 5 FGBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000302744576 498556245 /nfs/dbraw/zinc/55/62/45/498556245.db2.gz RSGVMUPZIUQZER-FZMZJTMJSA-N 1 1 354.248 3.278 20 5 FGBDMO NC(=O)CC[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000572822921 506060517 /nfs/dbraw/zinc/06/05/17/506060517.db2.gz PJUCDUITHHXFBM-LLVKDONJSA-N 1 1 359.348 3.091 20 5 FGBDMO NC(=O)CC[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000572822921 506060520 /nfs/dbraw/zinc/06/05/20/506060520.db2.gz PJUCDUITHHXFBM-LLVKDONJSA-N 1 1 359.348 3.091 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000282704889 498618634 /nfs/dbraw/zinc/61/86/34/498618634.db2.gz UCWDAFCAQLEHMS-QGZVFWFLSA-N 1 1 373.409 3.153 20 5 FGBDMO O=C(c1csc([N+](=O)[O-])c1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000365744822 498621555 /nfs/dbraw/zinc/62/15/55/498621555.db2.gz AILPXDUDJFXYAZ-NVXWUHKLSA-N 1 1 371.462 3.250 20 5 FGBDMO CN(C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000287099606 498628336 /nfs/dbraw/zinc/62/83/36/498628336.db2.gz WRDLLSUXPMXTNF-FUNVUKJBSA-N 1 1 352.822 3.337 20 5 FGBDMO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)CCC(C)(C)[N+](=O)[O-])C[C@@H](C)O1 ZINC000294271361 498640262 /nfs/dbraw/zinc/64/02/62/498640262.db2.gz AYEMLOXAFMNIBP-HUUCEWRRSA-N 1 1 363.458 3.070 20 5 FGBDMO Cn1c2ccc(Cl)cc2nc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365820965 498655602 /nfs/dbraw/zinc/65/56/02/498655602.db2.gz OXWDVDGWSNMGKC-UHFFFAOYSA-N 1 1 374.832 3.169 20 5 FGBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000363156391 498679044 /nfs/dbraw/zinc/67/90/44/498679044.db2.gz KHKHHSPCEDSRPO-ZFWWWQNUSA-N 1 1 372.450 3.075 20 5 FGBDMO CC[N@@H+](C)CCNC(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 ZINC000303647093 498699500 /nfs/dbraw/zinc/69/95/00/498699500.db2.gz WLTNPHNYJXVFMR-UHFFFAOYSA-N 1 1 353.488 3.415 20 5 FGBDMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000332518739 498710157 /nfs/dbraw/zinc/71/01/57/498710157.db2.gz LEGNFMVWJRVZHY-BXUZGUMPSA-N 1 1 371.359 3.312 20 5 FGBDMO CCC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1C[C@@H](OCC)C1(C)C ZINC000303944268 498730840 /nfs/dbraw/zinc/73/08/40/498730840.db2.gz ZBANCYZXVKSAFX-DLBZAZTESA-N 1 1 363.458 3.109 20 5 FGBDMO Cc1cnc(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000312091299 498755478 /nfs/dbraw/zinc/75/54/78/498755478.db2.gz ZMVOYSMFIIWHMA-ZWKOTPCHSA-N 1 1 352.438 3.257 20 5 FGBDMO Cc1cc([N+](=O)[O-])cnc1N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000312073437 498756716 /nfs/dbraw/zinc/75/67/16/498756716.db2.gz OWOAHWPIRNTVPA-QZTJIDSGSA-N 1 1 352.438 3.257 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1F ZINC000283254642 498830728 /nfs/dbraw/zinc/83/07/28/498830728.db2.gz VQEGRHCSRUSJEW-AWEZNQCLSA-N 1 1 355.373 3.156 20 5 FGBDMO CC[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H](O)C(F)F ZINC000294971987 498866961 /nfs/dbraw/zinc/86/69/61/498866961.db2.gz FTYVGKNNAXXNRV-CHWSQXEVSA-N 1 1 357.382 3.213 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000366606450 499001116 /nfs/dbraw/zinc/00/11/16/499001116.db2.gz HHDJITFDHYHORQ-OAHLLOKOSA-N 1 1 359.430 3.155 20 5 FGBDMO CO[C@H]1CC[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1(C)C ZINC000295799491 499103439 /nfs/dbraw/zinc/10/34/39/499103439.db2.gz AZAQRTVJPUYTPT-WFASDCNBSA-N 1 1 360.414 3.453 20 5 FGBDMO Cc1cc(CN2CCC([N@@H+](C)Cc3cccc([N+](=O)[O-])c3C)CC2)on1 ZINC000369904688 499149362 /nfs/dbraw/zinc/14/93/62/499149362.db2.gz PKZPYQXBSGNMIH-UHFFFAOYSA-N 1 1 358.442 3.296 20 5 FGBDMO Cc1csc(N2CCC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)n1 ZINC000370227771 499199555 /nfs/dbraw/zinc/19/95/55/499199555.db2.gz NTPDZRSTVSWRPN-UHFFFAOYSA-N 1 1 373.438 3.213 20 5 FGBDMO Cc1csc(N2CCC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)n1 ZINC000370227771 499199556 /nfs/dbraw/zinc/19/95/56/499199556.db2.gz NTPDZRSTVSWRPN-UHFFFAOYSA-N 1 1 373.438 3.213 20 5 FGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(c2ccccn2)CC1 ZINC000371319364 499309605 /nfs/dbraw/zinc/30/96/05/499309605.db2.gz QKJBPJABNAFLMO-AWEZNQCLSA-N 1 1 354.410 3.196 20 5 FGBDMO C[N@@H+](C[C@H]1CC12CCN(c1nc3sccn3c1[N+](=O)[O-])CC2)C1CC1 ZINC000371338304 499312867 /nfs/dbraw/zinc/31/28/67/499312867.db2.gz AIWRZTFPAXYGDY-GFCCVEGCSA-N 1 1 361.471 3.005 20 5 FGBDMO Cc1cc([C@H]2CCC[N@@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)C2)[nH]n1 ZINC000368695103 499322642 /nfs/dbraw/zinc/32/26/42/499322642.db2.gz RIUCYKKLIHPBRK-HNNXBMFYSA-N 1 1 371.441 3.143 20 5 FGBDMO Cc1cc([C@H]2CCC[N@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)C2)n[nH]1 ZINC000368695103 499322643 /nfs/dbraw/zinc/32/26/43/499322643.db2.gz RIUCYKKLIHPBRK-HNNXBMFYSA-N 1 1 371.441 3.143 20 5 FGBDMO Cc1cc([C@H]2CCC[N@@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)C2)n[nH]1 ZINC000368695103 499322644 /nfs/dbraw/zinc/32/26/44/499322644.db2.gz RIUCYKKLIHPBRK-HNNXBMFYSA-N 1 1 371.441 3.143 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000368814563 499335382 /nfs/dbraw/zinc/33/53/82/499335382.db2.gz UDWPROMEYIHMKR-HNNXBMFYSA-N 1 1 361.442 3.123 20 5 FGBDMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000579313546 506143029 /nfs/dbraw/zinc/14/30/29/506143029.db2.gz YPRVNAHGUABIGN-LJQANCHMSA-N 1 1 364.442 3.405 20 5 FGBDMO Cc1c[nH+]cn1C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000369160151 499372486 /nfs/dbraw/zinc/37/24/86/499372486.db2.gz BRACAGQWGUKWHV-UHFFFAOYSA-N 1 1 354.366 3.323 20 5 FGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCC(c3nnc4n3CCC4)CC2)c1 ZINC000369405235 499400260 /nfs/dbraw/zinc/40/02/60/499400260.db2.gz YRFMLNNUVPHXKZ-UHFFFAOYSA-N 1 1 361.833 3.166 20 5 FGBDMO Cc1cc(C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000369567224 499419481 /nfs/dbraw/zinc/41/94/81/499419481.db2.gz HDRRASDBVUGTKE-YOEHRIQHSA-N 1 1 359.451 3.388 20 5 FGBDMO C[N@H+]1CC[C@H](CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccs1 ZINC000369568131 499419505 /nfs/dbraw/zinc/41/95/05/499419505.db2.gz KBAUDRWSYGPMIO-WGLAPVJTSA-N 1 1 371.462 3.479 20 5 FGBDMO C[N@@H+](C[C@@H]1CC12CCN(C(=O)c1ccc(F)cc1[N+](=O)[O-])CC2)C1CC1 ZINC000372420693 499432487 /nfs/dbraw/zinc/43/24/87/499432487.db2.gz NBWZUXGJWGGHJG-ZDUSSCGKSA-N 1 1 361.417 3.070 20 5 FGBDMO CCc1ccc(C(=O)N2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)cc1[N+](=O)[O-] ZINC000372419444 499432627 /nfs/dbraw/zinc/43/26/27/499432627.db2.gz CEPMCDJPFRMAGV-QGZVFWFLSA-N 1 1 371.481 3.494 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375409298 499515138 /nfs/dbraw/zinc/51/51/38/499515138.db2.gz RWWJQXWMXSCEOH-ZDUSSCGKSA-N 1 1 358.398 3.243 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC([C@H]4CCCOC4)CC3)n2)c1 ZINC000378599877 499536394 /nfs/dbraw/zinc/53/63/94/499536394.db2.gz WIBBJYMZAKPKRJ-INIZCTEOSA-N 1 1 372.425 3.283 20 5 FGBDMO C[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000396426246 499563462 /nfs/dbraw/zinc/56/34/62/499563462.db2.gz GTONLXCBFIWFLE-CQSZACIVSA-N 1 1 357.385 3.080 20 5 FGBDMO C[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000396426246 499563463 /nfs/dbraw/zinc/56/34/63/499563463.db2.gz GTONLXCBFIWFLE-CQSZACIVSA-N 1 1 357.385 3.080 20 5 FGBDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000397999706 499565403 /nfs/dbraw/zinc/56/54/03/499565403.db2.gz VGHSERQYQDXGDA-GOSISDBHSA-N 1 1 370.453 3.262 20 5 FGBDMO CNc1ccc(C(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000398015638 499566332 /nfs/dbraw/zinc/56/63/32/499566332.db2.gz WFDKQBQYSSEZAJ-YOEHRIQHSA-N 1 1 368.437 3.029 20 5 FGBDMO Cc1c[nH+]cn1C1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000376743870 499633334 /nfs/dbraw/zinc/63/33/34/499633334.db2.gz ZAPRAZHGCBRWCJ-UHFFFAOYSA-N 1 1 366.219 3.099 20 5 FGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC2(CCC[N@H+]2C)CC1 ZINC000377198416 499670136 /nfs/dbraw/zinc/67/01/36/499670136.db2.gz PDLYDIYHMFOZII-AWEZNQCLSA-N 1 1 371.441 3.266 20 5 FGBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCN(c2ccccc2)CC1 ZINC000377522419 499700248 /nfs/dbraw/zinc/70/02/48/499700248.db2.gz DZFXCAULICTOCP-FQEVSTJZSA-N 1 1 355.438 3.229 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3CC[N@H+]4CCC[C@H]4C3)cs2)c1 ZINC000377642240 499714611 /nfs/dbraw/zinc/71/46/11/499714611.db2.gz BHQBYAYRVJCOJO-ZBFHGGJFSA-N 1 1 358.467 3.435 20 5 FGBDMO CC(C)[C@]1(CO)CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000377656512 499716251 /nfs/dbraw/zinc/71/62/51/499716251.db2.gz VXSPOUBAUHUQIC-LJQANCHMSA-N 1 1 359.426 3.133 20 5 FGBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@H](C)[C@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000411510451 499749300 /nfs/dbraw/zinc/74/93/00/499749300.db2.gz YOJVTLYMSRIVQH-YSVLISHTSA-N 1 1 361.442 3.443 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+]3CCC[C@@H](CO)[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000414560104 499809159 /nfs/dbraw/zinc/80/91/59/499809159.db2.gz AGDPAWMNOWFUBL-KBPBESRZSA-N 1 1 360.410 3.456 20 5 FGBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000412004359 499811970 /nfs/dbraw/zinc/81/19/70/499811970.db2.gz CWMRFEDBYOVTSC-RBUKOAKNSA-N 1 1 355.438 3.415 20 5 FGBDMO CN(c1ccccc1)c1ccc(CNC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414826078 499834954 /nfs/dbraw/zinc/83/49/54/499834954.db2.gz IHESGHTZILHVEG-KRWDZBQOSA-N 1 1 354.454 3.452 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000412224932 499835960 /nfs/dbraw/zinc/83/59/60/499835960.db2.gz VZODHWXKJKWYCW-YRPNKDGESA-N 1 1 365.433 3.260 20 5 FGBDMO C[C@H](C[NH3+])CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000414873529 499840025 /nfs/dbraw/zinc/84/00/25/499840025.db2.gz HKWLRURSQLDVON-SNVBAGLBSA-N 1 1 368.231 3.302 20 5 FGBDMO CC(C)CSCCC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000570416133 506162882 /nfs/dbraw/zinc/16/28/82/506162882.db2.gz NDESDGOOPPUXTF-UHFFFAOYSA-N 1 1 365.499 3.132 20 5 FGBDMO Cc1ccc(C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000412691387 499875943 /nfs/dbraw/zinc/87/59/43/499875943.db2.gz BVARCWBPHAKBRC-MRXNPFEDSA-N 1 1 353.422 3.250 20 5 FGBDMO Cc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000412691387 499875944 /nfs/dbraw/zinc/87/59/44/499875944.db2.gz BVARCWBPHAKBRC-MRXNPFEDSA-N 1 1 353.422 3.250 20 5 FGBDMO CC[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)C1 ZINC000412883285 499893344 /nfs/dbraw/zinc/89/33/44/499893344.db2.gz WABBJXYBKYMDFE-CYBMUJFWSA-N 1 1 351.472 3.167 20 5 FGBDMO O=[N+]([O-])c1cnc(N2CCC[N@@H+](CCCc3ccccc3)CC2)c(F)c1 ZINC000413106578 499914597 /nfs/dbraw/zinc/91/45/97/499914597.db2.gz JVZMBLDSPGREQT-UHFFFAOYSA-N 1 1 358.417 3.274 20 5 FGBDMO CC[C@@H](Nc1ncc([N+](=O)[O-])cc1F)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000413206880 499926854 /nfs/dbraw/zinc/92/68/54/499926854.db2.gz ZFINLNFWQUXABL-MSOLQXFVSA-N 1 1 374.416 3.220 20 5 FGBDMO CC[C@@H](Nc1ncc([N+](=O)[O-])cc1F)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000413206880 499926855 /nfs/dbraw/zinc/92/68/55/499926855.db2.gz ZFINLNFWQUXABL-MSOLQXFVSA-N 1 1 374.416 3.220 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000421192451 499988739 /nfs/dbraw/zinc/98/87/39/499988739.db2.gz WBPWKAZRLIOAOM-UHFFFAOYSA-N 1 1 357.410 3.048 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000421202166 499991344 /nfs/dbraw/zinc/99/13/44/499991344.db2.gz JKCDXISILRYEDZ-UHFFFAOYSA-N 1 1 371.437 3.438 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)c1 ZINC000425017098 499995040 /nfs/dbraw/zinc/99/50/40/499995040.db2.gz YBEJMFYAFKUDPY-FXAWDEMLSA-N 1 1 365.433 3.250 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])cc1-c1nc([C@H]2C[N@H+]3CCC[C@@]3(C)CO2)no1 ZINC000421278001 500009158 /nfs/dbraw/zinc/00/91/58/500009158.db2.gz VWWOAOPBDHVAHE-QAPCUYQASA-N 1 1 358.398 3.187 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC=C(c3ccccn3)C2)c2c(c1)COCO2 ZINC000579430325 506171885 /nfs/dbraw/zinc/17/18/85/506171885.db2.gz XZNRYMCKJXJORC-UHFFFAOYSA-N 1 1 353.378 3.146 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC=C(c3ccccn3)C2)c2c(c1)COCO2 ZINC000579430325 506171888 /nfs/dbraw/zinc/17/18/88/506171888.db2.gz XZNRYMCKJXJORC-UHFFFAOYSA-N 1 1 353.378 3.146 20 5 FGBDMO CN(Cc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CC2)C1 ZINC000425407010 500095714 /nfs/dbraw/zinc/09/57/14/500095714.db2.gz QFLYIDHQLFACJO-CQSZACIVSA-N 1 1 354.248 3.026 20 5 FGBDMO CC[N@@H+](C)C[C@H]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425425831 500102356 /nfs/dbraw/zinc/10/23/56/500102356.db2.gz RJGIAZMCIGZSAO-GFCCVEGCSA-N 1 1 356.264 3.131 20 5 FGBDMO C[C@H](CO)[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C1CCCC1 ZINC000425442262 500107380 /nfs/dbraw/zinc/10/73/80/500107380.db2.gz JHJMKFPQNRAWRG-LLVKDONJSA-N 1 1 357.248 3.483 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425557029 500145953 /nfs/dbraw/zinc/14/59/53/500145953.db2.gz VQNLVPNUEILFGP-IBGZPJMESA-N 1 1 373.453 3.123 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425557029 500145955 /nfs/dbraw/zinc/14/59/55/500145955.db2.gz VQNLVPNUEILFGP-IBGZPJMESA-N 1 1 373.453 3.123 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000421792507 500152540 /nfs/dbraw/zinc/15/25/40/500152540.db2.gz OZUHVSDEDFCOKI-PKOBYXMFSA-N 1 1 353.422 3.387 20 5 FGBDMO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000430111421 500194494 /nfs/dbraw/zinc/19/44/94/500194494.db2.gz QWECZEGIFCHRQH-HXUWFJFHSA-N 1 1 354.406 3.220 20 5 FGBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)C[C@H]1COc2ccccc2O1 ZINC000430229027 500211728 /nfs/dbraw/zinc/21/17/28/500211728.db2.gz UIXSVZWAGZMZSL-INIZCTEOSA-N 1 1 358.394 3.265 20 5 FGBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)C[C@H]1COc2ccccc2O1 ZINC000430229027 500211730 /nfs/dbraw/zinc/21/17/30/500211730.db2.gz UIXSVZWAGZMZSL-INIZCTEOSA-N 1 1 358.394 3.265 20 5 FGBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)C[C@@H]1COc2ccccc2O1 ZINC000430229028 500211735 /nfs/dbraw/zinc/21/17/35/500211735.db2.gz UIXSVZWAGZMZSL-MRXNPFEDSA-N 1 1 358.394 3.265 20 5 FGBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)C[C@@H]1COc2ccccc2O1 ZINC000430229028 500211736 /nfs/dbraw/zinc/21/17/36/500211736.db2.gz UIXSVZWAGZMZSL-MRXNPFEDSA-N 1 1 358.394 3.265 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C[C@@H](O)COc1ccccc1)C(C)C ZINC000430237577 500213253 /nfs/dbraw/zinc/21/32/53/500213253.db2.gz FMRSACPGLMNKLM-GOSISDBHSA-N 1 1 374.437 3.254 20 5 FGBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000576545677 506183229 /nfs/dbraw/zinc/18/32/29/506183229.db2.gz DIPIECUXIOCIRP-CYBMUJFWSA-N 1 1 360.389 3.376 20 5 FGBDMO CC(C)C1(C)CC[NH+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000426733022 500312950 /nfs/dbraw/zinc/31/29/50/500312950.db2.gz LAYCIRFMDZSTLI-UHFFFAOYSA-N 1 1 354.472 3.127 20 5 FGBDMO CC[N@@H+](CCNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)CCC(F)(F)F ZINC000573417347 506190122 /nfs/dbraw/zinc/19/01/22/506190122.db2.gz GJAVIHUFEVMQAF-LBPRGKRZSA-N 1 1 361.364 3.089 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC(OC4CCC4)CC3)o2)cc1 ZINC000419282312 500349124 /nfs/dbraw/zinc/34/91/24/500349124.db2.gz HYXHVAXCFHVEHJ-UHFFFAOYSA-N 1 1 358.398 3.178 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCSC[C@H]3C3CCC3)n2)c1 ZINC000419358637 500357180 /nfs/dbraw/zinc/35/71/80/500357180.db2.gz JLTGSISFUJQSTM-HNNXBMFYSA-N 1 1 360.439 3.362 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCSC[C@H]3C3CCC3)n2)c1 ZINC000419358637 500357183 /nfs/dbraw/zinc/35/71/83/500357183.db2.gz JLTGSISFUJQSTM-HNNXBMFYSA-N 1 1 360.439 3.362 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@@H]2COc2cccnc2C)ccc1[N+](=O)[O-] ZINC000419386278 500360302 /nfs/dbraw/zinc/36/03/02/500360302.db2.gz IFRXMMQDYBKKGI-MRXNPFEDSA-N 1 1 357.410 3.350 20 5 FGBDMO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000423322264 500363741 /nfs/dbraw/zinc/36/37/41/500363741.db2.gz GIOUIWCLYLKQCS-XPGWFJOJSA-N 1 1 369.465 3.270 20 5 FGBDMO CC[N@@H+](CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)CCC(F)(F)F ZINC000427281414 500377250 /nfs/dbraw/zinc/37/72/50/500377250.db2.gz AZCBAPFGOHCJMI-UHFFFAOYSA-N 1 1 372.347 3.080 20 5 FGBDMO Cc1ccccc1C[C@H](C)[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000447403114 500601330 /nfs/dbraw/zinc/60/13/30/500601330.db2.gz CNRDITSZPNYKJK-LPHOPBHVSA-N 1 1 358.438 3.206 20 5 FGBDMO CCN1CCN(C[C@@H](C)C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433115479 500629374 /nfs/dbraw/zinc/62/93/74/500629374.db2.gz IIWBAQMTUZXCDJ-OXJNMPFZSA-N 1 1 374.529 3.180 20 5 FGBDMO O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437761398 500691452 /nfs/dbraw/zinc/69/14/52/500691452.db2.gz RZZDUMYEFRCNLB-GOSISDBHSA-N 1 1 374.485 3.234 20 5 FGBDMO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437856620 500707717 /nfs/dbraw/zinc/70/77/17/500707717.db2.gz XPWHGXRFVOBURY-IBGZPJMESA-N 1 1 359.470 3.441 20 5 FGBDMO Cn1cc(C[N@@H+]2CCO[C@H](C(C)(C)C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000448364507 500753813 /nfs/dbraw/zinc/75/38/13/500753813.db2.gz GEQIOBXBOKUPCH-KRWDZBQOSA-N 1 1 358.442 3.242 20 5 FGBDMO Cn1cc(C[N@H+]2CCO[C@H](C(C)(C)C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000448364507 500753815 /nfs/dbraw/zinc/75/38/15/500753815.db2.gz GEQIOBXBOKUPCH-KRWDZBQOSA-N 1 1 358.442 3.242 20 5 FGBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000438286227 500763467 /nfs/dbraw/zinc/76/34/67/500763467.db2.gz SQRCEVLQNJQXQP-HNNXBMFYSA-N 1 1 373.453 3.132 20 5 FGBDMO CC(C)c1n[nH]c(C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000434028071 500783927 /nfs/dbraw/zinc/78/39/27/500783927.db2.gz PKQIAHNDTJKDNO-CQSZACIVSA-N 1 1 373.457 3.082 20 5 FGBDMO CC[C@@H]1CC[N@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000438482822 500790547 /nfs/dbraw/zinc/79/05/47/500790547.db2.gz YZMLEZHIEIHZMR-GFCCVEGCSA-N 1 1 360.439 3.389 20 5 FGBDMO CC[C@@H]1CC[N@@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000438482822 500790549 /nfs/dbraw/zinc/79/05/49/500790549.db2.gz YZMLEZHIEIHZMR-GFCCVEGCSA-N 1 1 360.439 3.389 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000444218862 500819519 /nfs/dbraw/zinc/81/95/19/500819519.db2.gz XZMSMWPUAIVWMM-INIZCTEOSA-N 1 1 361.442 3.265 20 5 FGBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000448784588 500833379 /nfs/dbraw/zinc/83/33/79/500833379.db2.gz XDSUQHRZBQPOIP-RYUDHWBXSA-N 1 1 373.375 3.464 20 5 FGBDMO Cc1c(CC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000439114906 500858850 /nfs/dbraw/zinc/85/88/50/500858850.db2.gz HZMWLLGLLVOLFG-GASCZTMLSA-N 1 1 361.486 3.318 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1cc(C)cc(C)c1 ZINC000444707260 500884493 /nfs/dbraw/zinc/88/44/93/500884493.db2.gz PJBRJWQHICWYKP-UHFFFAOYSA-N 1 1 357.410 3.291 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC000444707260 500884495 /nfs/dbraw/zinc/88/44/95/500884495.db2.gz PJBRJWQHICWYKP-UHFFFAOYSA-N 1 1 357.410 3.291 20 5 FGBDMO Cc1ccc([C@@]2(C)CC[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000434748192 500888889 /nfs/dbraw/zinc/88/88/89/500888889.db2.gz NZLSISWFHCRUBZ-RXVVDRJESA-N 1 1 370.449 3.307 20 5 FGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ncn(Cc2cccc(F)c2)n1 ZINC000449262096 500960309 /nfs/dbraw/zinc/96/03/09/500960309.db2.gz BMOYLSHAFMUHES-CQSZACIVSA-N 1 1 369.400 3.095 20 5 FGBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)Cc1ccccc1[N+](=O)[O-] ZINC000582447938 506227428 /nfs/dbraw/zinc/22/74/28/506227428.db2.gz KWZJFOZNJLMEDB-LJQANCHMSA-N 1 1 354.454 3.476 20 5 FGBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000435583112 500995524 /nfs/dbraw/zinc/99/55/24/500995524.db2.gz DYGQFDUDHSSTKL-INIZCTEOSA-N 1 1 360.458 3.163 20 5 FGBDMO COc1ccc(C[N@H+](C)[C@@H](CO)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000449452046 501006187 /nfs/dbraw/zinc/00/61/87/501006187.db2.gz JRESMMWKYWNYMF-INIZCTEOSA-N 1 1 350.802 3.422 20 5 FGBDMO COc1ccc(C[N@@H+](C)[C@@H](CO)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000449452046 501006188 /nfs/dbraw/zinc/00/61/88/501006188.db2.gz JRESMMWKYWNYMF-INIZCTEOSA-N 1 1 350.802 3.422 20 5 FGBDMO COc1ccc(OCC[N@H+](C)Cc2cnc(C(C)C)nc2)c([N+](=O)[O-])c1 ZINC000440485983 501014527 /nfs/dbraw/zinc/01/45/27/501014527.db2.gz XKARMFNGDMRLLP-UHFFFAOYSA-N 1 1 360.414 3.028 20 5 FGBDMO COc1ccc(OCC[N@@H+](C)Cc2cnc(C(C)C)nc2)c([N+](=O)[O-])c1 ZINC000440485983 501014528 /nfs/dbraw/zinc/01/45/28/501014528.db2.gz XKARMFNGDMRLLP-UHFFFAOYSA-N 1 1 360.414 3.028 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2nc(C(C)C)ncc2C1 ZINC000598934932 506233890 /nfs/dbraw/zinc/23/38/90/506233890.db2.gz DFHWDOPUQMUZIE-UHFFFAOYSA-N 1 1 356.426 3.465 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2nc(C(C)C)ncc2C1 ZINC000598934932 506233895 /nfs/dbraw/zinc/23/38/95/506233895.db2.gz DFHWDOPUQMUZIE-UHFFFAOYSA-N 1 1 356.426 3.465 20 5 FGBDMO COc1cc(CNC[C@H](C)[NH+](C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000449555877 501031964 /nfs/dbraw/zinc/03/19/64/501031964.db2.gz JYQOTRDNXZQHHB-HNNXBMFYSA-N 1 1 373.453 3.222 20 5 FGBDMO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCC[N@H+]1CCc2ccccc2C1 ZINC000436314810 501106294 /nfs/dbraw/zinc/10/62/94/501106294.db2.gz ZICXVIWMFYJLRH-UHFFFAOYSA-N 1 1 366.343 3.479 20 5 FGBDMO Cc1nc(N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000450386851 501108247 /nfs/dbraw/zinc/10/82/47/501108247.db2.gz GKSWAWGCIJMEOZ-ROUUACIJSA-N 1 1 367.453 3.184 20 5 FGBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000449988282 501146944 /nfs/dbraw/zinc/14/69/44/501146944.db2.gz SBTXWZDXKJGVJS-PWSUYJOCSA-N 1 1 359.348 3.168 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451367940 501277094 /nfs/dbraw/zinc/27/70/94/501277094.db2.gz KVAYPLJMAVHEIC-URYASSDKSA-N 1 1 371.437 3.076 20 5 FGBDMO Cn1cc(-c2cc(C[N@H+]3CCC[C@H](c4ccc([N+](=O)[O-])cc4)C3)on2)cn1 ZINC000451553631 501322017 /nfs/dbraw/zinc/32/20/17/501322017.db2.gz YFGPNLDOBBLUCB-HNNXBMFYSA-N 1 1 367.409 3.363 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]CCC1CC(F)(F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000453446249 501333885 /nfs/dbraw/zinc/33/38/85/501333885.db2.gz YQNMSZBAASNPFX-OAHLLOKOSA-N 1 1 350.369 3.443 20 5 FGBDMO COCC[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1cccc(C(F)(F)F)c1 ZINC000451696131 501352753 /nfs/dbraw/zinc/35/27/53/501352753.db2.gz RXTLAAOQVLIWQL-ZDUSSCGKSA-N 1 1 372.347 3.215 20 5 FGBDMO CCOC(=O)c1[nH]c(C)c(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)c1C ZINC000598964471 506248469 /nfs/dbraw/zinc/24/84/69/506248469.db2.gz WIESMSAWQXYTGH-UHFFFAOYSA-N 1 1 361.398 3.015 20 5 FGBDMO Cc1[nH+]ccn1CCCN(C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602662385 506250300 /nfs/dbraw/zinc/25/03/00/506250300.db2.gz MYSHRCZLYAESCY-UHFFFAOYSA-N 1 1 373.276 3.446 20 5 FGBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000451883471 501392458 /nfs/dbraw/zinc/39/24/58/501392458.db2.gz FDYXIAWNNMJDLZ-QPUJVOFHSA-N 1 1 372.265 3.359 20 5 FGBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000451883471 501392461 /nfs/dbraw/zinc/39/24/61/501392461.db2.gz FDYXIAWNNMJDLZ-QPUJVOFHSA-N 1 1 372.265 3.359 20 5 FGBDMO COC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000452075872 501430278 /nfs/dbraw/zinc/43/02/78/501430278.db2.gz DOMHWHODOXZDRB-QWHCGFSZSA-N 1 1 369.849 3.324 20 5 FGBDMO COC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000452075872 501430280 /nfs/dbraw/zinc/43/02/80/501430280.db2.gz DOMHWHODOXZDRB-QWHCGFSZSA-N 1 1 369.849 3.324 20 5 FGBDMO C[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000456314072 501495418 /nfs/dbraw/zinc/49/54/18/501495418.db2.gz VTJZEQVDUZUKGL-MRXNPFEDSA-N 1 1 353.422 3.189 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000456344759 501504574 /nfs/dbraw/zinc/50/45/74/501504574.db2.gz RWGYCKJLNSSJRQ-INIZCTEOSA-N 1 1 367.449 3.497 20 5 FGBDMO C[C@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[N@H+](C2CC2)C1 ZINC000452571150 501524545 /nfs/dbraw/zinc/52/45/45/501524545.db2.gz NNFCDHHLBHJANO-CQSZACIVSA-N 1 1 359.470 3.449 20 5 FGBDMO C[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000454727216 501616633 /nfs/dbraw/zinc/61/66/33/501616633.db2.gz OUMNCUNATNGTAG-JVPBZIDWSA-N 1 1 368.437 3.400 20 5 FGBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459264462 501621190 /nfs/dbraw/zinc/62/11/90/501621190.db2.gz NABGBXMPRVYISK-INIZCTEOSA-N 1 1 362.474 3.247 20 5 FGBDMO COc1ccc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)c(OC)c1 ZINC000598995375 506268494 /nfs/dbraw/zinc/26/84/94/506268494.db2.gz SOFCRNBAEWWRPF-LBPRGKRZSA-N 1 1 374.393 3.329 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@@H](O)[C@H](C4CCCC4)C3)o2)cc1 ZINC000459815890 501717803 /nfs/dbraw/zinc/71/78/03/501717803.db2.gz YQLBLRYPQACNGZ-DLBZAZTESA-N 1 1 372.425 3.018 20 5 FGBDMO NC(=O)c1cc(NC[C@H]2CCC[N@H+]2CC2CCCCC2)ccc1[N+](=O)[O-] ZINC000596122983 506270417 /nfs/dbraw/zinc/27/04/17/506270417.db2.gz WGMUTSYGIJEVGG-MRXNPFEDSA-N 1 1 360.458 3.150 20 5 FGBDMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467221088 501742795 /nfs/dbraw/zinc/74/27/95/501742795.db2.gz ZIRZEVFSTVHVTO-WFASDCNBSA-N 1 1 366.849 3.016 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474234640 501754786 /nfs/dbraw/zinc/75/47/86/501754786.db2.gz UJBYTWXONQPWCK-IBGZPJMESA-N 1 1 355.438 3.310 20 5 FGBDMO COc1nc2ccccc2cc1C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602730964 506276242 /nfs/dbraw/zinc/27/62/42/506276242.db2.gz HDRWJMFJRVZLDZ-HXUWFJFHSA-N 1 1 367.405 3.149 20 5 FGBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000460493828 501839451 /nfs/dbraw/zinc/83/94/51/501839451.db2.gz XRKIKGWHAVWDHP-WMLDXEAASA-N 1 1 350.463 3.466 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000481738244 501869310 /nfs/dbraw/zinc/86/93/10/501869310.db2.gz GJEPTVHVPXBYCZ-CQSZACIVSA-N 1 1 356.426 3.227 20 5 FGBDMO CCOc1cc(N2CC[NH+](Cc3ccc(C)nc3C)CC2)ccc1[N+](=O)[O-] ZINC000481759689 501875674 /nfs/dbraw/zinc/87/56/74/501875674.db2.gz XDAFYVRAUOETOP-UHFFFAOYSA-N 1 1 370.453 3.328 20 5 FGBDMO Cc1c(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000471022469 501894205 /nfs/dbraw/zinc/89/42/05/501894205.db2.gz NTWVIKXJOTUPKJ-BGYRXZFFSA-N 1 1 351.450 3.467 20 5 FGBDMO COc1ccc([C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)C2CC2)cn1 ZINC000599019949 506280427 /nfs/dbraw/zinc/28/04/27/506280427.db2.gz IREUKPWKZUDORP-SFHVURJKSA-N 1 1 371.393 3.106 20 5 FGBDMO COc1cc(C(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)cc([N+](=O)[O-])c1C ZINC000478345992 501951101 /nfs/dbraw/zinc/95/11/01/501951101.db2.gz RBTMVHVDSDQAOR-INIZCTEOSA-N 1 1 363.458 3.152 20 5 FGBDMO CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1Br ZINC000478417545 501975896 /nfs/dbraw/zinc/97/58/96/501975896.db2.gz NQKSPWYUUNTPII-UHFFFAOYSA-N 1 1 367.247 3.466 20 5 FGBDMO CCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1Br ZINC000478417545 501975900 /nfs/dbraw/zinc/97/59/00/501975900.db2.gz NQKSPWYUUNTPII-UHFFFAOYSA-N 1 1 367.247 3.466 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000468458294 502063122 /nfs/dbraw/zinc/06/31/22/502063122.db2.gz IEFNXCWRACVKCR-XJKSGUPXSA-N 1 1 365.499 3.312 20 5 FGBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000468470123 502068013 /nfs/dbraw/zinc/06/80/13/502068013.db2.gz OUIXUIGARFNABG-CQSZACIVSA-N 1 1 371.384 3.046 20 5 FGBDMO CC(C)[C@@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@H+]1C ZINC000486245232 502097473 /nfs/dbraw/zinc/09/74/73/502097473.db2.gz QAZBIUSEJVUGBF-ZDUSSCGKSA-N 1 1 372.372 3.000 20 5 FGBDMO CC(C)[C@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@H+]1C ZINC000486245231 502097527 /nfs/dbraw/zinc/09/75/27/502097527.db2.gz QAZBIUSEJVUGBF-CYBMUJFWSA-N 1 1 372.372 3.000 20 5 FGBDMO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)CCO2 ZINC000475290767 502120790 /nfs/dbraw/zinc/12/07/90/502120790.db2.gz JKRIPFUHOPNMEJ-LIRRHRJNSA-N 1 1 358.394 3.235 20 5 FGBDMO C[C@@H]1OCC[C@]12C[N@@H+](Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)CCO2 ZINC000475290767 502120795 /nfs/dbraw/zinc/12/07/95/502120795.db2.gz JKRIPFUHOPNMEJ-LIRRHRJNSA-N 1 1 358.394 3.235 20 5 FGBDMO CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475301920 502125772 /nfs/dbraw/zinc/12/57/72/502125772.db2.gz XHZFURPTSMTHLZ-KRWDZBQOSA-N 1 1 357.385 3.080 20 5 FGBDMO COc1cccc(N2CC[NH+](C/C=C/c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000475424132 502167587 /nfs/dbraw/zinc/16/75/87/502167587.db2.gz RKUJJMQBFNISGD-RMKNXTFCSA-N 1 1 353.422 3.439 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000475491528 502188105 /nfs/dbraw/zinc/18/81/05/502188105.db2.gz GGKZGULSBJFALE-YJBOKZPZSA-N 1 1 353.422 3.355 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000475491528 502188110 /nfs/dbraw/zinc/18/81/10/502188110.db2.gz GGKZGULSBJFALE-YJBOKZPZSA-N 1 1 353.422 3.355 20 5 FGBDMO CCOc1cc(N2CC[NH+](C/C=C/c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000475493855 502189944 /nfs/dbraw/zinc/18/99/44/502189944.db2.gz GOANKVNMHFYMME-ONEGZZNKSA-N 1 1 368.437 3.224 20 5 FGBDMO COc1cc(Cl)ccc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000482860275 502200916 /nfs/dbraw/zinc/20/09/16/502200916.db2.gz USDUFVLRMKDYSF-UHFFFAOYSA-N 1 1 350.806 3.290 20 5 FGBDMO Cc1cc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461959302 502252844 /nfs/dbraw/zinc/25/28/44/502252844.db2.gz NXIINZHKQHASQK-MLGOLLRUSA-N 1 1 373.375 3.079 20 5 FGBDMO Cc1cc(N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(F)cc1[N+](=O)[O-] ZINC000461963259 502255166 /nfs/dbraw/zinc/25/51/66/502255166.db2.gz HOVFSDSASQMNAO-HXUWFJFHSA-N 1 1 373.428 3.116 20 5 FGBDMO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+]CC=Cc3ccccc3[N+](=O)[O-])n2)c1 ZINC000486792500 502263910 /nfs/dbraw/zinc/26/39/10/502263910.db2.gz SCWJSYMUMQETBW-HZRUHFOJSA-N 1 1 364.409 3.447 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@H](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000475725707 502266641 /nfs/dbraw/zinc/26/66/41/502266641.db2.gz OQMBXEOYLYFFKB-HNNXBMFYSA-N 1 1 350.415 3.015 20 5 FGBDMO COC[C@H](Cc1ccccc1)[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000475750361 502280656 /nfs/dbraw/zinc/28/06/56/502280656.db2.gz SRADNVIULXBZDK-KRWDZBQOSA-N 1 1 371.437 3.031 20 5 FGBDMO COC[C@H](Cc1ccccc1)[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000475750361 502280658 /nfs/dbraw/zinc/28/06/58/502280658.db2.gz SRADNVIULXBZDK-KRWDZBQOSA-N 1 1 371.437 3.031 20 5 FGBDMO C[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccc(OCC(F)(F)F)cc1 ZINC000602804445 506306254 /nfs/dbraw/zinc/30/62/54/506306254.db2.gz GHXYQUIBYPRMSA-JTQLQIEISA-N 1 1 358.320 3.120 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CC1CC1)CC1CCC1 ZINC000483262244 502331731 /nfs/dbraw/zinc/33/17/31/502331731.db2.gz PMXMKTSOCUXIMD-UHFFFAOYSA-N 1 1 361.442 3.444 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)C1CC1 ZINC000596199923 506307218 /nfs/dbraw/zinc/30/72/18/506307218.db2.gz KRDLNWPNGZOKNA-IBGZPJMESA-N 1 1 368.437 3.016 20 5 FGBDMO C[C@]1(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CCC[N@H+]1Cc1ccccc1 ZINC000596199373 506307545 /nfs/dbraw/zinc/30/75/45/506307545.db2.gz AEIKQRNQNBQKMY-HXUWFJFHSA-N 1 1 368.437 3.160 20 5 FGBDMO C[C@@]1(c2ccc(F)cc2)CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000483428193 502388702 /nfs/dbraw/zinc/38/87/02/502388702.db2.gz CBBVYIJDNNWGEF-FXAWDEMLSA-N 1 1 374.412 3.137 20 5 FGBDMO C[C@@H]1CC[N@@H+](C)CCN1c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000462496185 502465026 /nfs/dbraw/zinc/46/50/26/502465026.db2.gz SPVRVOODSQSQGC-OAHLLOKOSA-N 1 1 356.426 3.099 20 5 FGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[NH+](CCOc2ccccc2)CC1 ZINC000487522591 502466676 /nfs/dbraw/zinc/46/66/76/502466676.db2.gz FINOFPJXTMWCKS-KRWDZBQOSA-N 1 1 355.438 3.352 20 5 FGBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000466302241 502532338 /nfs/dbraw/zinc/53/23/38/502532338.db2.gz DFYKEOVGEIEQNN-CJNGLKHVSA-N 1 1 357.385 3.299 20 5 FGBDMO Cc1ccc(C(=O)CC[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000480509782 502587486 /nfs/dbraw/zinc/58/74/86/502587486.db2.gz DPJOWKKNFJHDML-UHFFFAOYSA-N 1 1 353.422 3.298 20 5 FGBDMO COCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCC[C@H]1C ZINC000488038212 502607771 /nfs/dbraw/zinc/60/77/71/502607771.db2.gz YWVTWIPNCRZKSW-RDTXWAMCSA-N 1 1 363.458 3.369 20 5 FGBDMO C[C@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000484266813 502611818 /nfs/dbraw/zinc/61/18/18/502611818.db2.gz UDJNHMSVXXYTGO-FRRDWIJNSA-N 1 1 353.850 3.168 20 5 FGBDMO CCC1CCC([N@@H+](CCO)Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000488180325 502649782 /nfs/dbraw/zinc/64/97/82/502649782.db2.gz DOENBHHZDNPZDK-UHFFFAOYSA-N 1 1 364.442 3.224 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@]3(CCCOC3)C2)cccc1[N+](=O)[O-] ZINC000477049582 502660683 /nfs/dbraw/zinc/66/06/83/502660683.db2.gz JZWQMEJKOXLNFK-IBGZPJMESA-N 1 1 361.442 3.124 20 5 FGBDMO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)[nH]1 ZINC000488483613 502728269 /nfs/dbraw/zinc/72/82/69/502728269.db2.gz JCSUSOJNXRGGFU-XQQFMLRXSA-N 1 1 374.445 3.294 20 5 FGBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000582638736 506338499 /nfs/dbraw/zinc/33/84/99/506338499.db2.gz GOHCIIXMMJIKFW-CQSZACIVSA-N 1 1 373.457 3.092 20 5 FGBDMO C[N@H+](CCCN1CCN(c2ccccc2)CC1)Cc1ccccc1[N+](=O)[O-] ZINC000509277072 502865667 /nfs/dbraw/zinc/86/56/67/502865667.db2.gz RGDYEVRAOGZYJM-UHFFFAOYSA-N 1 1 368.481 3.239 20 5 FGBDMO C[N@@H+](CCCN1CCN(c2ccccc2)CC1)Cc1ccccc1[N+](=O)[O-] ZINC000509277072 502865670 /nfs/dbraw/zinc/86/56/70/502865670.db2.gz RGDYEVRAOGZYJM-UHFFFAOYSA-N 1 1 368.481 3.239 20 5 FGBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000489135909 502885941 /nfs/dbraw/zinc/88/59/41/502885941.db2.gz JBFZSSVQZUXXRS-HNNXBMFYSA-N 1 1 362.474 3.394 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+]C2(c3cccc(OC)c3)CC2)c1 ZINC000593021247 506341357 /nfs/dbraw/zinc/34/13/57/506341357.db2.gz SBBDJHLYCPAURQ-UHFFFAOYSA-N 1 1 356.378 3.169 20 5 FGBDMO CC(C)[C@@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@H+]1C ZINC000489373319 502941458 /nfs/dbraw/zinc/94/14/58/502941458.db2.gz MHNUKRLBFRRKEI-INIZCTEOSA-N 1 1 374.466 3.131 20 5 FGBDMO C[N@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@@H]1CC1(C)C ZINC000489444143 502960004 /nfs/dbraw/zinc/96/00/04/502960004.db2.gz CPIWEMUGIIOSBX-CQSZACIVSA-N 1 1 360.439 3.387 20 5 FGBDMO C[N@@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@@H]1CC1(C)C ZINC000489444143 502960007 /nfs/dbraw/zinc/96/00/07/502960007.db2.gz CPIWEMUGIIOSBX-CQSZACIVSA-N 1 1 360.439 3.387 20 5 FGBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000599147042 506346033 /nfs/dbraw/zinc/34/60/33/506346033.db2.gz KDJAVJMRKDBQQX-KRWDZBQOSA-N 1 1 360.458 3.143 20 5 FGBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000509889171 503005470 /nfs/dbraw/zinc/00/54/70/503005470.db2.gz WZQOXZWXQLYUHQ-SNVBAGLBSA-N 1 1 372.263 3.126 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000514089347 503084071 /nfs/dbraw/zinc/08/40/71/503084071.db2.gz OXSLQGHGZVWHMJ-MJGOQNOKSA-N 1 1 364.405 3.011 20 5 FGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000490040287 503097260 /nfs/dbraw/zinc/09/72/60/503097260.db2.gz DPCBDZKYPZAWDH-QAPCUYQASA-N 1 1 368.437 3.498 20 5 FGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000490040287 503097263 /nfs/dbraw/zinc/09/72/63/503097263.db2.gz DPCBDZKYPZAWDH-QAPCUYQASA-N 1 1 368.437 3.498 20 5 FGBDMO Cc1ccccc1C[C@H]1CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000514177090 503105144 /nfs/dbraw/zinc/10/51/44/503105144.db2.gz AMAOYWCJCHIEIM-QUCCMNQESA-N 1 1 370.449 3.350 20 5 FGBDMO CC(C)NC(=O)c1ccc(NC[C@@H]2CC[N@H+]2C2CCCC2)c([N+](=O)[O-])c1 ZINC000599164099 506354459 /nfs/dbraw/zinc/35/44/59/506354459.db2.gz JPQXUIQGEPDRHL-INIZCTEOSA-N 1 1 360.458 3.162 20 5 FGBDMO CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[N@H+]1C ZINC000506897490 503191179 /nfs/dbraw/zinc/19/11/79/503191179.db2.gz YCXAEARUHKNYQS-CQSZACIVSA-N 1 1 359.348 3.026 20 5 FGBDMO CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[N@H+]1C ZINC000506897489 503191439 /nfs/dbraw/zinc/19/14/39/503191439.db2.gz YCXAEARUHKNYQS-AWEZNQCLSA-N 1 1 359.348 3.026 20 5 FGBDMO C/C(=C/c1nc([C@@H]2C[N@@H+]3CCC[C@]3(C)CO2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000514818225 503200415 /nfs/dbraw/zinc/20/04/15/503200415.db2.gz MPTMZWRMKJRAAG-VLBBJHDPSA-N 1 1 370.409 3.464 20 5 FGBDMO C/C(=C/c1nc([C@@H]2C[N@H+]3CCC[C@]3(C)CO2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000514818225 503200416 /nfs/dbraw/zinc/20/04/16/503200416.db2.gz MPTMZWRMKJRAAG-VLBBJHDPSA-N 1 1 370.409 3.464 20 5 FGBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000507019730 503213929 /nfs/dbraw/zinc/21/39/29/503213929.db2.gz ADTPOJYJNCXODF-HZSPNIEDSA-N 1 1 360.458 3.258 20 5 FGBDMO C[N@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCO2)Cc1ccccc1[N+](=O)[O-] ZINC000507119050 503234878 /nfs/dbraw/zinc/23/48/78/503234878.db2.gz FTIIYVXVLRHAKT-UHFFFAOYSA-N 1 1 366.377 3.346 20 5 FGBDMO C[N@@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCO2)Cc1ccccc1[N+](=O)[O-] ZINC000507119050 503234880 /nfs/dbraw/zinc/23/48/80/503234880.db2.gz FTIIYVXVLRHAKT-UHFFFAOYSA-N 1 1 366.377 3.346 20 5 FGBDMO Cc1ccccc1[C@@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000507179710 503244369 /nfs/dbraw/zinc/24/43/69/503244369.db2.gz HQDLMDCWHLMSMG-MRXNPFEDSA-N 1 1 353.422 3.356 20 5 FGBDMO Cc1ccc(C)c(OC[C@H](O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000511061035 503245234 /nfs/dbraw/zinc/24/52/34/503245234.db2.gz WYRXSZKDOCPDDD-GOSISDBHSA-N 1 1 358.438 3.126 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC=C(c2ccco2)C1 ZINC000511121974 503261403 /nfs/dbraw/zinc/26/14/03/503261403.db2.gz GVWYYVMDNVOHPJ-UHFFFAOYSA-N 1 1 371.393 3.314 20 5 FGBDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000515100785 503271856 /nfs/dbraw/zinc/27/18/56/503271856.db2.gz KDUVPQSJHXNRJZ-HKUYNNGSSA-N 1 1 358.438 3.288 20 5 FGBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1)c1ccccc1 ZINC000491114691 503274975 /nfs/dbraw/zinc/27/49/75/503274975.db2.gz WPMRFQFVNJMIDG-OAHLLOKOSA-N 1 1 371.412 3.376 20 5 FGBDMO O=C(NC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1)c1ccccc1 ZINC000491114691 503274977 /nfs/dbraw/zinc/27/49/77/503274977.db2.gz WPMRFQFVNJMIDG-OAHLLOKOSA-N 1 1 371.412 3.376 20 5 FGBDMO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000491204619 503286607 /nfs/dbraw/zinc/28/66/07/503286607.db2.gz BIWUNEKZMREAMW-UKRRQHHQSA-N 1 1 351.422 3.251 20 5 FGBDMO CC[N@H+]1C[C@H](C)N(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C ZINC000498926442 503295794 /nfs/dbraw/zinc/29/57/94/503295794.db2.gz CDFHVPZQCAQTBD-CABCVRRESA-N 1 1 358.442 3.207 20 5 FGBDMO CCN1C[C@H](C)[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C ZINC000498926442 503295797 /nfs/dbraw/zinc/29/57/97/503295797.db2.gz CDFHVPZQCAQTBD-CABCVRRESA-N 1 1 358.442 3.207 20 5 FGBDMO CCN1C[C@H](C)[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C ZINC000498926442 503295801 /nfs/dbraw/zinc/29/58/01/503295801.db2.gz CDFHVPZQCAQTBD-CABCVRRESA-N 1 1 358.442 3.207 20 5 FGBDMO Cc1ccccc1[C@]1(F)CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000502890640 503300172 /nfs/dbraw/zinc/30/01/72/503300172.db2.gz BUJBSPXUGZRLCX-UZLBHIALSA-N 1 1 374.412 3.214 20 5 FGBDMO Cc1ccccc1[C@]1(F)CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000502890640 503300175 /nfs/dbraw/zinc/30/01/75/503300175.db2.gz BUJBSPXUGZRLCX-UZLBHIALSA-N 1 1 374.412 3.214 20 5 FGBDMO Cn1cc(C[NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)nn1 ZINC000611931454 506366997 /nfs/dbraw/zinc/36/69/97/506366997.db2.gz WXOTVQPQNZPHDP-UHFFFAOYSA-N 1 1 373.800 3.459 20 5 FGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c1 ZINC000511760929 503382123 /nfs/dbraw/zinc/38/21/23/503382123.db2.gz YROMMWJUVYRNPO-HKBOAZHASA-N 1 1 368.433 3.478 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c1 ZINC000515744993 503394373 /nfs/dbraw/zinc/39/43/73/503394373.db2.gz WCJCOHFMLZFWHX-MJGOQNOKSA-N 1 1 374.412 3.181 20 5 FGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)cc1 ZINC000503403213 503401123 /nfs/dbraw/zinc/40/11/23/503401123.db2.gz CUZTXAITJHOEAV-INIZCTEOSA-N 1 1 370.453 3.386 20 5 FGBDMO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000499447912 503407232 /nfs/dbraw/zinc/40/72/32/503407232.db2.gz PAVNVWIEWVKJDX-HOTGVXAUSA-N 1 1 353.422 3.330 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000499447912 503407235 /nfs/dbraw/zinc/40/72/35/503407235.db2.gz PAVNVWIEWVKJDX-HOTGVXAUSA-N 1 1 353.422 3.330 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000493281952 503417864 /nfs/dbraw/zinc/41/78/64/503417864.db2.gz RNKIBUDSEGJDQP-INMHGKMJSA-N 1 1 362.474 3.478 20 5 FGBDMO C[C@H]1C[N@@H+](CCCNc2ccc([N+](=O)[O-])cc2Br)CCCO1 ZINC000503586204 503441816 /nfs/dbraw/zinc/44/18/16/503441816.db2.gz IWLGOGWYGSXVCK-LBPRGKRZSA-N 1 1 372.263 3.270 20 5 FGBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000499713095 503464172 /nfs/dbraw/zinc/46/41/72/503464172.db2.gz NLMRVDAPZPONBD-LSDHHAIUSA-N 1 1 365.499 3.456 20 5 FGBDMO C[C@H]1[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1Cc1ccccc1 ZINC000494026267 503476408 /nfs/dbraw/zinc/47/64/08/503476408.db2.gz HTTRPCMEZDOKMY-LIRRHRJNSA-N 1 1 371.412 3.056 20 5 FGBDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3cc([N+](=O)[O-])cn3C)cc2)C1 ZINC000516488079 503519155 /nfs/dbraw/zinc/51/91/55/503519155.db2.gz FKOKGFYLWZYDEQ-HNNXBMFYSA-N 1 1 370.453 3.095 20 5 FGBDMO Cc1ccc(C[C@@H]2CCC[N@H+]2C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000500231573 503584215 /nfs/dbraw/zinc/58/42/15/503584215.db2.gz BMBFHOJFMLYALO-AZUAARDMSA-N 1 1 370.449 3.350 20 5 FGBDMO COc1ccc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000504539254 503585312 /nfs/dbraw/zinc/58/53/12/503585312.db2.gz PUPVKGCFXKMNBH-GOEBONIOSA-N 1 1 369.421 3.420 20 5 FGBDMO COc1ccc([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000504539254 503585317 /nfs/dbraw/zinc/58/53/17/503585317.db2.gz PUPVKGCFXKMNBH-GOEBONIOSA-N 1 1 369.421 3.420 20 5 FGBDMO CN(C)c1cc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc[nH+]1 ZINC000500408449 503616789 /nfs/dbraw/zinc/61/67/89/503616789.db2.gz DDPVSCFSUZVLNC-UHFFFAOYSA-N 1 1 364.789 3.117 20 5 FGBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000500552945 503645698 /nfs/dbraw/zinc/64/56/98/503645698.db2.gz ARIXYTWQEXVORP-MJBXVCDLSA-N 1 1 358.442 3.172 20 5 FGBDMO COc1ccccc1[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000533288449 503792879 /nfs/dbraw/zinc/79/28/79/503792879.db2.gz JIKVYHKXQYYIMK-LSDHHAIUSA-N 1 1 369.421 3.420 20 5 FGBDMO COc1ccccc1[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000533288449 503792882 /nfs/dbraw/zinc/79/28/82/503792882.db2.gz JIKVYHKXQYYIMK-LSDHHAIUSA-N 1 1 369.421 3.420 20 5 FGBDMO CC1(C)[C@@H]2C[N@@H+](CC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)C[C@@H]21 ZINC000533430361 503842805 /nfs/dbraw/zinc/84/28/05/503842805.db2.gz DJCSBSDPISRPQJ-OKILXGFUSA-N 1 1 372.450 3.245 20 5 FGBDMO CC1(C)[C@@H]2C[N@H+](CC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)C[C@@H]21 ZINC000533430361 503842807 /nfs/dbraw/zinc/84/28/07/503842807.db2.gz DJCSBSDPISRPQJ-OKILXGFUSA-N 1 1 372.450 3.245 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@@H]2C2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000540811177 503901253 /nfs/dbraw/zinc/90/12/53/503901253.db2.gz KDMSWJPAUJRSIK-OAHLLOKOSA-N 1 1 350.415 3.003 20 5 FGBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](CO)C2)cc1OC ZINC000543843478 503912088 /nfs/dbraw/zinc/91/20/88/503912088.db2.gz RPBJJEOKAIXMGN-CABCVRRESA-N 1 1 366.458 3.233 20 5 FGBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](CO)C2)cc1OC ZINC000543843478 503912094 /nfs/dbraw/zinc/91/20/94/503912094.db2.gz RPBJJEOKAIXMGN-CABCVRRESA-N 1 1 366.458 3.233 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@H](COC)C2)cc1OC ZINC000543844615 503912813 /nfs/dbraw/zinc/91/28/13/503912813.db2.gz WZPCALDHJWEDSL-GJZGRUSLSA-N 1 1 366.458 3.497 20 5 FGBDMO Cc1cc(N(C)[C@H]2CC[N@H+](C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000533783698 503950498 /nfs/dbraw/zinc/95/04/98/503950498.db2.gz XJGIOEBHVQJQOD-KRWDZBQOSA-N 1 1 353.426 3.033 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3CCc4ccc(Cl)cc43)CC2)cn1 ZINC000544069932 503995699 /nfs/dbraw/zinc/99/56/99/503995699.db2.gz XCPZMTGJQXCAKO-KRWDZBQOSA-N 1 1 358.829 3.453 20 5 FGBDMO COc1ccc(-c2ccc(C[N@@H+](C)C[C@H]3CCC[C@H]3O)o2)c([N+](=O)[O-])c1 ZINC000537708853 504013558 /nfs/dbraw/zinc/01/35/58/504013558.db2.gz AWBXXASLYFUDBF-FZKQIMNGSA-N 1 1 360.410 3.456 20 5 FGBDMO Cc1cccc([C@@H]2CC[N@H+](CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000544191561 504042239 /nfs/dbraw/zinc/04/22/39/504042239.db2.gz PFOIOZYRNQVKJB-QGZVFWFLSA-N 1 1 374.462 3.166 20 5 FGBDMO Cc1cccc([C@@H]2CC[N@@H+](CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000544191561 504042245 /nfs/dbraw/zinc/04/22/45/504042245.db2.gz PFOIOZYRNQVKJB-QGZVFWFLSA-N 1 1 374.462 3.166 20 5 FGBDMO C[NH+](C)[C@H](CNc1ncnc2cccc([N+](=O)[O-])c21)c1ccccc1Cl ZINC000544410306 504122678 /nfs/dbraw/zinc/12/26/78/504122678.db2.gz FRNKYSRPIUOCJH-MRXNPFEDSA-N 1 1 371.828 3.328 20 5 FGBDMO Cc1c(F)cccc1NC(=O)CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000534513338 504161290 /nfs/dbraw/zinc/16/12/90/504161290.db2.gz MFVAGMLBWCHFIJ-UHFFFAOYSA-N 1 1 357.385 3.429 20 5 FGBDMO 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ZINC000531405780 504295625 /nfs/dbraw/zinc/29/56/25/504295625.db2.gz ZYDCAGFUPIPLRT-IBGZPJMESA-N 1 1 358.438 3.493 20 5 FGBDMO O=C1C[C@@]2(CN1)CCC[N@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)s1)C2 ZINC000538738188 504351918 /nfs/dbraw/zinc/35/19/18/504351918.db2.gz DYQFCKWHJZMWDQ-LJQANCHMSA-N 1 1 371.462 3.425 20 5 FGBDMO C[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[N@H+]1CCC[C@H](C)C1 ZINC000545163222 504381326 /nfs/dbraw/zinc/38/13/26/504381326.db2.gz BYDIVEKCNGCBSF-KBPBESRZSA-N 1 1 365.449 3.248 20 5 FGBDMO CCc1ccc([C@@H]([NH2+]CCn2cnnc2CC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000545265272 504423080 /nfs/dbraw/zinc/42/30/80/504423080.db2.gz DKKBQQCFMGEKHI-IBGZPJMESA-N 1 1 369.425 3.283 20 5 FGBDMO Cc1cccc([C@H]2CC[N@@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)c1 ZINC000542321796 504450491 /nfs/dbraw/zinc/45/04/91/504450491.db2.gz PEGSTTQHYUDYOE-SFHVURJKSA-N 1 1 365.433 3.282 20 5 FGBDMO CCc1ccc([C@H]([NH2+]CCN2CCO[C@H](C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542473790 504503911 /nfs/dbraw/zinc/50/39/11/504503911.db2.gz OCBQUDSAPJBQRE-FOIQADDNSA-N 1 1 373.453 3.150 20 5 FGBDMO CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C(C)(C)C[NH+]1CCCCCC1 ZINC000548645799 504508542 /nfs/dbraw/zinc/50/85/42/504508542.db2.gz SRTNYOABVLMXFB-UHFFFAOYSA-N 1 1 373.457 3.198 20 5 FGBDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000532571796 504696344 /nfs/dbraw/zinc/69/63/44/504696344.db2.gz DPYZNUCISHMWSB-QAPCUYQASA-N 1 1 365.433 3.362 20 5 FGBDMO C[C@H]1c2ccccc2CC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000532589314 504704246 /nfs/dbraw/zinc/70/42/46/504704246.db2.gz RKYHIEYUHRDQGT-AWEZNQCLSA-N 1 1 351.406 3.103 20 5 FGBDMO C[C@H]1c2ccccc2CC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000532589314 504704250 /nfs/dbraw/zinc/70/42/50/504704250.db2.gz RKYHIEYUHRDQGT-AWEZNQCLSA-N 1 1 351.406 3.103 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2Cc2cccc(F)c2)c1 ZINC000521425971 504734032 /nfs/dbraw/zinc/73/40/32/504734032.db2.gz VGZWCIQYXSCJOT-IEBWSBKVSA-N 1 1 374.412 3.181 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000543141006 504739997 /nfs/dbraw/zinc/73/99/97/504739997.db2.gz AZPMKLAYUFAJIF-ZWKOTPCHSA-N 1 1 374.412 3.181 20 5 FGBDMO O=[N+]([O-])c1cccnc1N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000536491772 504747519 /nfs/dbraw/zinc/74/75/19/504747519.db2.gz ICFHRVXDLZHNKA-UHFFFAOYSA-N 1 1 352.438 3.482 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000536537964 504757266 /nfs/dbraw/zinc/75/72/66/504757266.db2.gz WPJFHDQEMHJISB-ZDUSSCGKSA-N 1 1 351.472 3.167 20 5 FGBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000552953200 504792820 /nfs/dbraw/zinc/79/28/20/504792820.db2.gz DQRRBKLRZLWTQC-UHFFFAOYSA-N 1 1 363.458 3.246 20 5 FGBDMO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000559256552 504810197 /nfs/dbraw/zinc/81/01/97/504810197.db2.gz SMXYEHZMJAIRKL-UHFFFAOYSA-N 1 1 356.426 3.024 20 5 FGBDMO Cc1cc(C)c(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c(C)c1 ZINC000559450587 504866853 /nfs/dbraw/zinc/86/68/53/504866853.db2.gz QWFUOFVTCXWVDL-UHFFFAOYSA-N 1 1 367.449 3.478 20 5 FGBDMO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000553598859 504959383 /nfs/dbraw/zinc/95/93/83/504959383.db2.gz XBSIQOVMRMRODR-GDBMZVCRSA-N 1 1 363.458 3.072 20 5 FGBDMO O=C(C[N@@H+]1CC[C@H](c2ccccc2F)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000550211516 504993406 /nfs/dbraw/zinc/99/34/06/504993406.db2.gz NSXYTOWLJVLMGO-HNNXBMFYSA-N 1 1 369.396 3.113 20 5 FGBDMO O=C(C[N@H+]1CC[C@H](c2ccccc2F)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000550211516 504993407 /nfs/dbraw/zinc/99/34/07/504993407.db2.gz NSXYTOWLJVLMGO-HNNXBMFYSA-N 1 1 369.396 3.113 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000566173842 505104416 /nfs/dbraw/zinc/10/44/16/505104416.db2.gz QLPXLFVYXJBBFK-YJBOKZPZSA-N 1 1 361.442 3.123 20 5 FGBDMO CC(C)(C(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000550969435 505133215 /nfs/dbraw/zinc/13/32/15/505133215.db2.gz VXNCIRZGFGGXLJ-UHFFFAOYSA-N 1 1 359.470 3.349 20 5 FGBDMO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000561157768 505267034 /nfs/dbraw/zinc/26/70/34/505267034.db2.gz ZKXHJLYUHGOJER-CRAIPNDOSA-N 1 1 353.422 3.294 20 5 FGBDMO C[C@@]1(NC(=O)NCc2cccc([N+](=O)[O-])c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000563963410 505290010 /nfs/dbraw/zinc/29/00/10/505290010.db2.gz LTHCBTQVFBORJJ-HXUWFJFHSA-N 1 1 368.437 3.059 20 5 FGBDMO C[C@H](NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000567122844 505369756 /nfs/dbraw/zinc/36/97/56/505369756.db2.gz SXPHTKKYGGOTTJ-MAUKXSAKSA-N 1 1 353.422 3.294 20 5 FGBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000561546484 505374465 /nfs/dbraw/zinc/37/44/65/505374465.db2.gz PYWLDSXJTCETNT-IYBDPMFKSA-N 1 1 362.474 3.042 20 5 FGBDMO C[C@H]1[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000558461094 505396563 /nfs/dbraw/zinc/39/65/63/505396563.db2.gz FPHJALAKTMTORN-KXBFYZLASA-N 1 1 368.437 3.057 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CCOC[C@H]2CC2CCC2)cccc1[N+](=O)[O-] ZINC000564473338 505429494 /nfs/dbraw/zinc/42/94/94/505429494.db2.gz GTMQSZIIEAFECC-MRXNPFEDSA-N 1 1 361.442 3.123 20 5 FGBDMO C[C@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000558689933 505464516 /nfs/dbraw/zinc/46/45/16/505464516.db2.gz SXTMLSHTEUHTGM-CVEARBPZSA-N 1 1 367.449 3.261 20 5 FGBDMO C[N@@H+](CCOCC(F)(F)C(F)(F)F)CCc1cccc([N+](=O)[O-])c1 ZINC000558733160 505477445 /nfs/dbraw/zinc/47/74/45/505477445.db2.gz VSELCJCDOHQILN-UHFFFAOYSA-N 1 1 356.291 3.283 20 5 FGBDMO COc1ccc(Cn2cc(C[N@@H+](C)C3CCCCC3)nn2)cc1[N+](=O)[O-] ZINC000603205492 506456434 /nfs/dbraw/zinc/45/64/34/506456434.db2.gz CYYAKFFYORJKOO-UHFFFAOYSA-N 1 1 359.430 3.008 20 5 FGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000589195966 506479567 /nfs/dbraw/zinc/47/95/67/506479567.db2.gz QSSGSIGEIMIGHU-WYPWOVKWSA-N 1 1 372.513 3.098 20 5 FGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000589195966 506479576 /nfs/dbraw/zinc/47/95/76/506479576.db2.gz QSSGSIGEIMIGHU-WYPWOVKWSA-N 1 1 372.513 3.098 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000599512575 506480021 /nfs/dbraw/zinc/48/00/21/506480021.db2.gz KRJWSPGTSDWJOE-TXEJJXNPSA-N 1 1 371.384 3.155 20 5 FGBDMO CCOc1cc(C[N@@H+]2Cc3cnn(C)c3CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000596597539 506481255 /nfs/dbraw/zinc/48/12/55/506481255.db2.gz BEKXVCSTOBWIDL-UHFFFAOYSA-N 1 1 358.442 3.312 20 5 FGBDMO CCOc1cc(C[N@H+]2Cc3cnn(C)c3CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000596597539 506481258 /nfs/dbraw/zinc/48/12/58/506481258.db2.gz BEKXVCSTOBWIDL-UHFFFAOYSA-N 1 1 358.442 3.312 20 5 FGBDMO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)c(OC)c1 ZINC000599601655 506524809 /nfs/dbraw/zinc/52/48/09/506524809.db2.gz YCHAVOFDQJNPRQ-ZDUSSCGKSA-N 1 1 373.409 3.210 20 5 FGBDMO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H]2CCC[C@H]21 ZINC000599657434 506558636 /nfs/dbraw/zinc/55/86/36/506558636.db2.gz KSKUWSNFGCRMBW-ZNMIVQPWSA-N 1 1 352.818 3.412 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H]2CCC[C@H]21 ZINC000599657434 506558644 /nfs/dbraw/zinc/55/86/44/506558644.db2.gz KSKUWSNFGCRMBW-ZNMIVQPWSA-N 1 1 352.818 3.412 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H]2CCC[C@@H]21 ZINC000599656786 506558903 /nfs/dbraw/zinc/55/89/03/506558903.db2.gz IVUVXSBYMMJKSL-KURKYZTESA-N 1 1 362.426 3.027 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@H]2C[C@](C)(OC)C2(C)C)c1 ZINC000589501903 506570958 /nfs/dbraw/zinc/57/09/58/506570958.db2.gz YEKRNKTUOHDRAY-YJBOKZPZSA-N 1 1 350.415 3.017 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)c1 ZINC000589503601 506572624 /nfs/dbraw/zinc/57/26/24/506572624.db2.gz WRZVKDGZRVSUMM-JKSUJKDBSA-N 1 1 350.440 3.241 20 5 FGBDMO 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ZINC000593495768 506653405 /nfs/dbraw/zinc/65/34/05/506653405.db2.gz IIZAHVSVVFSHNV-NHCUHLMSSA-N 1 1 367.449 3.383 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000593496367 506654013 /nfs/dbraw/zinc/65/40/13/506654013.db2.gz OXYZPXXEKHVWIG-NHCUHLMSSA-N 1 1 367.449 3.383 20 5 FGBDMO CC(C)[N@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC1 ZINC000599830077 506663975 /nfs/dbraw/zinc/66/39/75/506663975.db2.gz QBNZIKUITGNKJT-UHFFFAOYSA-N 1 1 357.414 3.091 20 5 FGBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596912554 506672891 /nfs/dbraw/zinc/67/28/91/506672891.db2.gz JIJQQNUXTSNOBK-HNNXBMFYSA-N 1 1 360.458 3.401 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)Cc1cccc(C)c1 ZINC000604016101 506686611 /nfs/dbraw/zinc/68/66/11/506686611.db2.gz BWGIYODFULYLPQ-AWEZNQCLSA-N 1 1 357.410 3.371 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)Cc1cccc(C)c1 ZINC000604016101 506686619 /nfs/dbraw/zinc/68/66/19/506686619.db2.gz BWGIYODFULYLPQ-AWEZNQCLSA-N 1 1 357.410 3.371 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1cccc(C)c1 ZINC000604016082 506686857 /nfs/dbraw/zinc/68/68/57/506686857.db2.gz AMTXKDMVCMCICZ-UHFFFAOYSA-N 1 1 357.410 3.372 20 5 FGBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597103959 506777106 /nfs/dbraw/zinc/77/71/06/506777106.db2.gz NTQQRPNOKKMDIK-GFCCVEGCSA-N 1 1 369.853 3.169 20 5 FGBDMO C[N@H+]1CCC[C@@]2(CCN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)C1 ZINC000590375051 506805435 /nfs/dbraw/zinc/80/54/35/506805435.db2.gz IKICGWQKGXDVMK-QGZVFWFLSA-N 1 1 355.385 3.114 20 5 FGBDMO COc1cc(C[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc(OC)c1 ZINC000604413065 506824550 /nfs/dbraw/zinc/82/45/50/506824550.db2.gz YFCAHVBNGIZCRM-UHFFFAOYSA-N 1 1 373.409 3.073 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000604484511 506845366 /nfs/dbraw/zinc/84/53/66/506845366.db2.gz ZRZDROKQQCFNNW-SFHVURJKSA-N 1 1 355.394 3.384 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000604484511 506845370 /nfs/dbraw/zinc/84/53/70/506845370.db2.gz ZRZDROKQQCFNNW-SFHVURJKSA-N 1 1 355.394 3.384 20 5 FGBDMO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000597224971 506846014 /nfs/dbraw/zinc/84/60/14/506846014.db2.gz WFJUTOVNIDRTKW-MRXNPFEDSA-N 1 1 372.425 3.043 20 5 FGBDMO O=C1CCCN1C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000597229327 506847871 /nfs/dbraw/zinc/84/78/71/506847871.db2.gz QOEGODQMRYHFRR-OAHLLOKOSA-N 1 1 369.421 3.299 20 5 FGBDMO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000604504580 506854275 /nfs/dbraw/zinc/85/42/75/506854275.db2.gz NBJFCEPEOSBFMD-GOSISDBHSA-N 1 1 365.433 3.396 20 5 FGBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000600227723 506859973 /nfs/dbraw/zinc/85/99/73/506859973.db2.gz FGEQGPPNDJOPPL-OAHLLOKOSA-N 1 1 356.426 3.213 20 5 FGBDMO CC[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1OCC(=O)NC ZINC000604532782 506863302 /nfs/dbraw/zinc/86/33/02/506863302.db2.gz IFGCIBIUEWHEND-AWEZNQCLSA-N 1 1 363.439 3.022 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@H](c4ccccn4)C3)o2)cc1 ZINC000590601930 506875595 /nfs/dbraw/zinc/87/55/95/506875595.db2.gz SYPUVGHFXQTOBP-HNNXBMFYSA-N 1 1 365.393 3.419 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@H](c4ccccn4)C3)o2)cc1 ZINC000590601930 506875605 /nfs/dbraw/zinc/87/56/05/506875605.db2.gz SYPUVGHFXQTOBP-HNNXBMFYSA-N 1 1 365.393 3.419 20 5 FGBDMO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609441242 506881946 /nfs/dbraw/zinc/88/19/46/506881946.db2.gz KZWKTTIODDUNLM-KRWDZBQOSA-N 1 1 357.385 3.128 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000609540027 506914282 /nfs/dbraw/zinc/91/42/82/506914282.db2.gz PAADXHHDKBWPSS-QWHCGFSZSA-N 1 1 359.382 3.013 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000609540027 506914284 /nfs/dbraw/zinc/91/42/84/506914284.db2.gz PAADXHHDKBWPSS-QWHCGFSZSA-N 1 1 359.382 3.013 20 5 FGBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCC1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000600472224 506963304 /nfs/dbraw/zinc/96/33/04/506963304.db2.gz NJSVCGGYKQBODD-GFCCVEGCSA-N 1 1 371.359 3.360 20 5 FGBDMO O=[N+]([O-])c1cc(I)cc(Cn2cc[nH+]c2C2CC2)c1 ZINC000600610409 507031602 /nfs/dbraw/zinc/03/16/02/507031602.db2.gz GTRVRXVHSUGMQQ-UHFFFAOYSA-N 1 1 369.162 3.322 20 5 FGBDMO C[C@H]1c2c(F)cccc2CC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000610004198 507069703 /nfs/dbraw/zinc/06/97/03/507069703.db2.gz FICNZUGLDNABAY-XJKSGUPXSA-N 1 1 360.385 3.093 20 5 FGBDMO C[C@H]1c2c(F)cccc2CC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000610004198 507069710 /nfs/dbraw/zinc/06/97/10/507069710.db2.gz FICNZUGLDNABAY-XJKSGUPXSA-N 1 1 360.385 3.093 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000597858857 507137457 /nfs/dbraw/zinc/13/74/57/507137457.db2.gz PRHSDJQHEWTRMW-CYBMUJFWSA-N 1 1 351.472 3.309 20 5 FGBDMO COC[C@H](CC(C)(C)C)[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000594520224 507168993 /nfs/dbraw/zinc/16/89/93/507168993.db2.gz IYFAUHNKAWBTOM-RDJZCZTQSA-N 1 1 360.458 3.459 20 5 FGBDMO CCN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CC[N@@H+](CC)C1 ZINC000598044208 507231208 /nfs/dbraw/zinc/23/12/08/507231208.db2.gz ZTOIXKMHWBPQCQ-OAHLLOKOSA-N 1 1 374.466 3.275 20 5 FGBDMO COc1cc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)ccc1Cl ZINC000601150276 507278742 /nfs/dbraw/zinc/27/87/42/507278742.db2.gz UWOMOCMAURYAEJ-QGZVFWFLSA-N 1 1 350.802 3.254 20 5 FGBDMO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CC[N@H+](C2CCC2)C1 ZINC000584386517 507314583 /nfs/dbraw/zinc/31/45/83/507314583.db2.gz NBDBZPGSERYQAP-NSHDSACASA-N 1 1 369.263 3.063 20 5 FGBDMO CCc1ccc([C@H]([NH2+]CC[C@@H](O)C(F)F)c2ccc([N+](=O)[O-])cc2)o1 ZINC000601298257 507327404 /nfs/dbraw/zinc/32/74/04/507327404.db2.gz FZLVFFJXSZDKAT-GDBMZVCRSA-N 1 1 354.353 3.445 20 5 FGBDMO CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000610770806 507384228 /nfs/dbraw/zinc/38/42/28/507384228.db2.gz GRBMABGYZNNPOB-QGZVFWFLSA-N 1 1 366.421 3.442 20 5 FGBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000598466185 507437987 /nfs/dbraw/zinc/43/79/87/507437987.db2.gz NEZOLHHOASEUSY-CYBMUJFWSA-N 1 1 353.488 3.312 20 5 FGBDMO C[N@H+]1C[C@@H](CNc2ncnc3sc([N+](=O)[O-])cc32)[C@H](c2ccccc2)C1 ZINC000591988782 507443737 /nfs/dbraw/zinc/44/37/37/507443737.db2.gz LIGWMEKARXFNKR-HIFRSBDPSA-N 1 1 369.450 3.357 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000598508001 507465093 /nfs/dbraw/zinc/46/50/93/507465093.db2.gz AORRHVCRLGVNHN-QGZVFWFLSA-N 1 1 353.422 3.216 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000598508001 507465097 /nfs/dbraw/zinc/46/50/97/507465097.db2.gz AORRHVCRLGVNHN-QGZVFWFLSA-N 1 1 353.422 3.216 20 5 FGBDMO CC[N@@H+](CCC1CCN(Cc2onc(C)c2[N+](=O)[O-])CC1)CC1CC1 ZINC000595412304 507485427 /nfs/dbraw/zinc/48/54/27/507485427.db2.gz MZVWZJJNKOXGGM-UHFFFAOYSA-N 1 1 350.463 3.225 20 5 FGBDMO Cc1cc(C)n(CC[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)n1 ZINC000592130307 507495402 /nfs/dbraw/zinc/49/54/02/507495402.db2.gz BBFAEOLFPZOPCG-WGSAOQKQSA-N 1 1 372.469 3.214 20 5 FGBDMO COc1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)nc1 ZINC000592133467 507499310 /nfs/dbraw/zinc/49/93/10/507499310.db2.gz USQGZPVUJURSLR-IYARVYRRSA-N 1 1 371.437 3.304 20 5 FGBDMO COc1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)nc1 ZINC000592133467 507499314 /nfs/dbraw/zinc/49/93/14/507499314.db2.gz USQGZPVUJURSLR-IYARVYRRSA-N 1 1 371.437 3.304 20 5 FGBDMO O=C(C[NH2+]C1(c2ccccc2F)CCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000592144502 507508108 /nfs/dbraw/zinc/50/81/08/507508108.db2.gz KKTWSMKZJCKDAA-UHFFFAOYSA-N 1 1 369.396 3.292 20 5 FGBDMO CCOc1cc(N2CC[NH+](Cc3ccnc(C)c3)CC2)ccc1[N+](=O)[O-] 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356.264 3.272 20 5 FGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000826734860 729413588 /nfs/dbraw/zinc/41/35/88/729413588.db2.gz UJZKAFOZEVJHIZ-OLZOCXBDSA-N 1 1 351.834 3.255 20 5 FGBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000827152330 729425998 /nfs/dbraw/zinc/42/59/98/729425998.db2.gz RSQZYYVQABBYBL-HNNXBMFYSA-N 1 1 355.232 3.094 20 5 FGBDMO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000827152330 729425999 /nfs/dbraw/zinc/42/59/99/729425999.db2.gz RSQZYYVQABBYBL-HNNXBMFYSA-N 1 1 355.232 3.094 20 5 FGBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F ZINC000827649768 729432808 /nfs/dbraw/zinc/43/28/08/729432808.db2.gz KVHDAEWQQSNNIS-GFCCVEGCSA-N 1 1 355.385 3.176 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1Cl ZINC000836221628 729948334 /nfs/dbraw/zinc/94/83/34/729948334.db2.gz NHPWPURGUDRLBJ-AWEZNQCLSA-N 1 1 351.790 3.182 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)cc1Cl ZINC000836782425 729969825 /nfs/dbraw/zinc/96/98/25/729969825.db2.gz TYDJZCVIDRVJPC-UHFFFAOYSA-N 1 1 351.834 3.257 20 5 FGBDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)CCC(C)(C)[N+](=O)[O-])C2)s1 ZINC000846100140 730928801 /nfs/dbraw/zinc/92/88/01/730928801.db2.gz ITFNATQHXASOIS-HNNXBMFYSA-N 1 1 367.515 3.172 20 5 FGBDMO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000847141543 731025915 /nfs/dbraw/zinc/02/59/15/731025915.db2.gz IXRDNQXUBKRLLX-UKRRQHHQSA-N 1 1 352.822 3.387 20 5 FGBDMO Cc1cc(Cl)c(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000847254748 731040308 /nfs/dbraw/zinc/04/03/08/731040308.db2.gz HIKZCEBSWWBJMY-CABCVRRESA-N 1 1 351.834 3.303 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H]2CCCC[C@@H]12 ZINC000852492987 731592457 /nfs/dbraw/zinc/59/24/57/731592457.db2.gz BUIWEPBYSSZTOL-SQWLQELKSA-N 1 1 350.390 3.288 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000855161200 731903029 /nfs/dbraw/zinc/90/30/29/731903029.db2.gz MWKHAFXNWNNUKW-LLVKDONJSA-N 1 1 371.840 3.166 20 5 FGBDMO Cc1cc(Cl)c(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000855162472 731903451 /nfs/dbraw/zinc/90/34/51/731903451.db2.gz KIEIAPJMAFZDNE-LBPRGKRZSA-N 1 1 353.850 3.407 20 5 FGBDMO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000857342274 732122814 /nfs/dbraw/zinc/12/28/14/732122814.db2.gz POEIIDSIYQUFEK-CYBMUJFWSA-N 1 1 351.834 3.100 20 5 FGBDMO C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000863323778 732945810 /nfs/dbraw/zinc/94/58/10/732945810.db2.gz TYFYCQMSSVSKNE-DGCLKSJQSA-N 1 1 365.231 3.389 20 5 FGBDMO C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000863323778 732945813 /nfs/dbraw/zinc/94/58/13/732945813.db2.gz TYFYCQMSSVSKNE-DGCLKSJQSA-N 1 1 365.231 3.389 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)O[NH+]=C(N)CCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000863489565 732970135 /nfs/dbraw/zinc/97/01/35/732970135.db2.gz JIFBRHVIAXQWQA-SECBINFHSA-N 1 1 362.308 3.071 20 5 FGBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1ncc(Cl)s1 ZINC000872114760 735591117 /nfs/dbraw/zinc/59/11/17/735591117.db2.gz BQGXMOKGDOCDOR-VIFPVBQESA-N 1 1 354.819 3.212 20 5 FGBDMO CO[C@@H](C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C(F)(F)F ZINC000877027841 736177470 /nfs/dbraw/zinc/17/74/70/736177470.db2.gz QVZMAGKUCRGEQM-ZETCQYMHSA-N 1 1 363.155 3.086 20 5 FGBDMO CCOC[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878162857 736782524 /nfs/dbraw/zinc/78/25/24/736782524.db2.gz QUNKKXLMAZWQEG-LLVKDONJSA-N 1 1 366.805 3.157 20 5 FGBDMO Cc1csc([C@@H]2CC[N@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)n1 ZINC000880007200 737096831 /nfs/dbraw/zinc/09/68/31/737096831.db2.gz DLAZAODYTVCHPL-CYBMUJFWSA-N 1 1 360.439 3.096 20 5 FGBDMO Cc1csc([C@@H]2CC[N@@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)n1 ZINC000880007200 737096834 /nfs/dbraw/zinc/09/68/34/737096834.db2.gz DLAZAODYTVCHPL-CYBMUJFWSA-N 1 1 360.439 3.096 20 5 FGBDMO COc1ncc(C[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])s1 ZINC000895610433 742433110 /nfs/dbraw/zinc/43/31/10/742433110.db2.gz BJRZCHXBKACZHI-UHFFFAOYSA-N 1 1 358.217 3.112 20 5 FGBDMO CC[N@@H+](CCNC(=O)c1c(C)c(C)ccc1[N+](=O)[O-])CCC(F)(F)F ZINC000897560403 742689246 /nfs/dbraw/zinc/68/92/46/742689246.db2.gz MFIPRKBYFJBTJT-UHFFFAOYSA-N 1 1 361.364 3.216 20 5 FGBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000900914500 743196384 /nfs/dbraw/zinc/19/63/84/743196384.db2.gz HJUZPNMSMVDTGF-GFCCVEGCSA-N 1 1 369.824 3.191 20 5 FGBDMO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCC[C@@H]1CCCC[N@H+]1C ZINC000920776833 758599966 /nfs/dbraw/zinc/59/99/66/758599966.db2.gz DVOKFDNMYFKGDP-OCCSQVGLSA-N 1 1 370.833 3.433 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000926951868 759855374 /nfs/dbraw/zinc/85/53/74/759855374.db2.gz YXQKBAQBYPUJIE-IACUBPJLSA-N 1 1 354.332 3.206 20 5 FGBDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)nc1 ZINC000080926840 493793304 /nfs/dbraw/zinc/79/33/04/493793304.db2.gz UOAJLNQYYAMXKL-CQSZACIVSA-N 1 1 360.439 3.210 20 5 FGBDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)nc1 ZINC000080926840 493793308 /nfs/dbraw/zinc/79/33/08/493793308.db2.gz UOAJLNQYYAMXKL-CQSZACIVSA-N 1 1 360.439 3.210 20 5 FGBDMO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C2(CCCCC2)C1 ZINC000080956981 493800537 /nfs/dbraw/zinc/80/05/37/493800537.db2.gz OMWBIEVEXCPQCO-UHFFFAOYSA-N 1 1 351.834 3.339 20 5 FGBDMO COc1ccc(C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000029114945 493817660 /nfs/dbraw/zinc/81/76/60/493817660.db2.gz IKUPAWKIZBTTBS-UHFFFAOYSA-N 1 1 369.421 3.231 20 5 FGBDMO COc1ccc(C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000029114945 493817664 /nfs/dbraw/zinc/81/76/64/493817664.db2.gz IKUPAWKIZBTTBS-UHFFFAOYSA-N 1 1 369.421 3.231 20 5 FGBDMO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000081289341 493861283 /nfs/dbraw/zinc/86/12/83/493861283.db2.gz FJZOLOFNGQIIFR-CYBMUJFWSA-N 1 1 351.834 3.243 20 5 FGBDMO CC(C)[N@H+]1CCCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000068799410 493876263 /nfs/dbraw/zinc/87/62/63/493876263.db2.gz PHUDEFQKQYMUBY-AWEZNQCLSA-N 1 1 351.472 3.018 20 5 FGBDMO Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000076386886 493880967 /nfs/dbraw/zinc/88/09/67/493880967.db2.gz LCLJPPFUJLHXHH-PBHICJAKSA-N 1 1 353.422 3.380 20 5 FGBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000050579635 493922268 /nfs/dbraw/zinc/92/22/68/493922268.db2.gz HAOJASXFRAHUEM-CYBMUJFWSA-N 1 1 374.466 3.180 20 5 FGBDMO C[N@H+]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C2(CCCCC2)C1 ZINC000081597612 493924979 /nfs/dbraw/zinc/92/49/79/493924979.db2.gz XFJFDPVNTUIBSJ-UHFFFAOYSA-N 1 1 371.441 3.095 20 5 FGBDMO O=[N+]([O-])c1ccc(CCN2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000051211332 493954423 /nfs/dbraw/zinc/95/44/23/493954423.db2.gz IEUVBLFNWBHCST-QPJJXVBHSA-N 1 1 351.450 3.468 20 5 FGBDMO O=C(Nc1ccccc1C[NH+]1CCSCC1)c1ccc([N+](=O)[O-])cc1 ZINC000061285581 493971765 /nfs/dbraw/zinc/97/17/65/493971765.db2.gz RGGPNXZXHYTEQX-UHFFFAOYSA-N 1 1 357.435 3.396 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2c2cccc(F)c2)c1 ZINC000051472608 493972605 /nfs/dbraw/zinc/97/26/05/493972605.db2.gz PLAIMRIORFYNDY-HKUYNNGSSA-N 1 1 360.385 3.311 20 5 FGBDMO O=[N+]([O-])c1ccccc1OCCN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000051508312 493973578 /nfs/dbraw/zinc/97/35/78/493973578.db2.gz YOIKIAPFZJGRBU-UHFFFAOYSA-N 1 1 355.438 3.182 20 5 FGBDMO CCCCN(C)C(=O)C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000083168898 494001813 /nfs/dbraw/zinc/00/18/13/494001813.db2.gz VXBHTSBSVUSOIW-UHFFFAOYSA-N 1 1 374.441 3.207 20 5 FGBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000580179189 505697105 /nfs/dbraw/zinc/69/71/05/505697105.db2.gz IZYWDGSPOODLPE-UHFFFAOYSA-N 1 1 368.437 3.337 20 5 FGBDMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000070702135 494049154 /nfs/dbraw/zinc/04/91/54/494049154.db2.gz AHTUXMIPOPYRNA-OAHLLOKOSA-N 1 1 363.801 3.408 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000063822215 494091552 /nfs/dbraw/zinc/09/15/52/494091552.db2.gz LOMGXZAGGZFMFN-AWEZNQCLSA-N 1 1 358.442 3.461 20 5 FGBDMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2C)c([N+](=O)[O-])c1 ZINC000008493952 494093169 /nfs/dbraw/zinc/09/31/69/494093169.db2.gz UKQIPDAFCXKPPB-AWEZNQCLSA-N 1 1 357.410 3.371 20 5 FGBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2C)c([N+](=O)[O-])c1 ZINC000008493952 494093173 /nfs/dbraw/zinc/09/31/73/494093173.db2.gz UKQIPDAFCXKPPB-AWEZNQCLSA-N 1 1 357.410 3.371 20 5 FGBDMO Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000053944823 494176295 /nfs/dbraw/zinc/17/62/95/494176295.db2.gz FNRTYOFNTSFRTO-UHFFFAOYSA-N 1 1 371.412 3.390 20 5 FGBDMO Cc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000053944823 494176300 /nfs/dbraw/zinc/17/63/00/494176300.db2.gz FNRTYOFNTSFRTO-UHFFFAOYSA-N 1 1 371.412 3.390 20 5 FGBDMO Cc1cccc(C)c1NC(=O)C[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065208729 494178772 /nfs/dbraw/zinc/17/87/72/494178772.db2.gz HKABHISUNUZUGK-UHFFFAOYSA-N 1 1 357.410 3.161 20 5 FGBDMO Cc1cccc(C)c1NC(=O)C[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065208729 494178775 /nfs/dbraw/zinc/17/87/75/494178775.db2.gz HKABHISUNUZUGK-UHFFFAOYSA-N 1 1 357.410 3.161 20 5 FGBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000054227982 494210429 /nfs/dbraw/zinc/21/04/29/494210429.db2.gz PJGXJJQMFLPVBI-HIFRSBDPSA-N 1 1 357.385 3.299 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ncc(-c4ccccc4)o3)C2)nc1 ZINC000072665187 494228807 /nfs/dbraw/zinc/22/88/07/494228807.db2.gz JUTQKRWXKZIOOS-OAHLLOKOSA-N 1 1 365.393 3.331 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ncc(-c4ccccc4)o3)C2)nc1 ZINC000072665187 494228812 /nfs/dbraw/zinc/22/88/12/494228812.db2.gz JUTQKRWXKZIOOS-OAHLLOKOSA-N 1 1 365.393 3.331 20 5 FGBDMO C[N@H+](CCc1cccs1)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000072800769 494252993 /nfs/dbraw/zinc/25/29/93/494252993.db2.gz TVUZKWUXQXZHPO-UHFFFAOYSA-N 1 1 353.831 3.423 20 5 FGBDMO C[N@@H+](CCc1cccs1)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000072800769 494252998 /nfs/dbraw/zinc/25/29/98/494252998.db2.gz TVUZKWUXQXZHPO-UHFFFAOYSA-N 1 1 353.831 3.423 20 5 FGBDMO C[C@@H](NC(=O)NCC[N@@H+]1CCc2sccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000054684241 494262331 /nfs/dbraw/zinc/26/23/31/494262331.db2.gz CDEYWLHJIMFWRW-CYBMUJFWSA-N 1 1 374.466 3.075 20 5 FGBDMO C[C@@H](NC(=O)NCC[N@H+]1CCc2sccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000054684241 494262333 /nfs/dbraw/zinc/26/23/33/494262333.db2.gz CDEYWLHJIMFWRW-CYBMUJFWSA-N 1 1 374.466 3.075 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)c1 ZINC000043085240 494262936 /nfs/dbraw/zinc/26/29/36/494262936.db2.gz GAWHPNTUDHFRPU-OLZOCXBDSA-N 1 1 351.472 3.309 20 5 FGBDMO COc1ccccc1[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1C)[NH+](C)C ZINC000043348030 494289919 /nfs/dbraw/zinc/28/99/19/494289919.db2.gz QHTXQCZWTXVJSP-KRWDZBQOSA-N 1 1 372.425 3.336 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000055102962 494301526 /nfs/dbraw/zinc/30/15/26/494301526.db2.gz MWGMZAJRKPMIMM-UHFFFAOYSA-N 1 1 369.421 3.427 20 5 FGBDMO COc1ccc(F)cc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000055152542 494307569 /nfs/dbraw/zinc/30/75/69/494307569.db2.gz ZDYNAFBGHULSHY-NWDGAFQWSA-N 1 1 361.373 3.420 20 5 FGBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000073208954 494337553 /nfs/dbraw/zinc/33/75/53/494337553.db2.gz QSXMEEMTJVXXRC-WMZOPIPTSA-N 1 1 374.485 3.391 20 5 FGBDMO Cc1sc(C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000045465413 494432311 /nfs/dbraw/zinc/43/23/11/494432311.db2.gz PQXVDMCVLPPVPQ-LBPRGKRZSA-N 1 1 359.451 3.141 20 5 FGBDMO Cc1sc(C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000045465413 494432316 /nfs/dbraw/zinc/43/23/16/494432316.db2.gz PQXVDMCVLPPVPQ-LBPRGKRZSA-N 1 1 359.451 3.141 20 5 FGBDMO CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090522237 494477547 /nfs/dbraw/zinc/47/75/47/494477547.db2.gz USYOZNAFOBXJPK-MOPGFXCFSA-N 1 1 355.438 3.415 20 5 FGBDMO CC(C)OCC[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000067127831 494479930 /nfs/dbraw/zinc/47/99/30/494479930.db2.gz ACYHIXHTHGFEPT-UHFFFAOYSA-N 1 1 361.364 3.161 20 5 FGBDMO CC[C@H](NC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000090687965 494493816 /nfs/dbraw/zinc/49/38/16/494493816.db2.gz JUVMCRVDBCQXFJ-WZGPROSRSA-N 1 1 372.469 3.172 20 5 FGBDMO COc1ccccc1[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000046881733 494578202 /nfs/dbraw/zinc/57/82/02/494578202.db2.gz UESKYDFRSSNCHG-MRXNPFEDSA-N 1 1 358.398 3.028 20 5 FGBDMO C[N@H+]1CCC[C@H](CNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000091482874 494609317 /nfs/dbraw/zinc/60/93/17/494609317.db2.gz HMFQXQSFKFMDGW-SECBINFHSA-N 1 1 362.308 3.276 20 5 FGBDMO C[C@@H]1C[C@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000080231136 494645165 /nfs/dbraw/zinc/64/51/65/494645165.db2.gz RBEPGALKTVKBDK-RHSMWYFYSA-N 1 1 368.437 3.159 20 5 FGBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000057169132 494663452 /nfs/dbraw/zinc/66/34/52/494663452.db2.gz PQQAPEQQTZMZJH-IBGZPJMESA-N 1 1 367.449 3.465 20 5 FGBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000074958535 494664101 /nfs/dbraw/zinc/66/41/01/494664101.db2.gz GACUJTOHYROHDJ-MFKMUULPSA-N 1 1 359.348 3.026 20 5 FGBDMO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]2c2cccn2C)cccc1[N+](=O)[O-] ZINC000067961117 494711306 /nfs/dbraw/zinc/71/13/06/494711306.db2.gz NRSJFBAWJPJHDY-GOSISDBHSA-N 1 1 356.426 3.407 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCc2cc(F)ccc2C1 ZINC000091890328 494714019 /nfs/dbraw/zinc/71/40/19/494714019.db2.gz ZWBKNPNXNXJOEV-UHFFFAOYSA-N 1 1 373.384 3.129 20 5 FGBDMO CC(C)CO[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000091964108 494737889 /nfs/dbraw/zinc/73/78/89/494737889.db2.gz RTFGWJKFCUJYOD-GOSISDBHSA-N 1 1 358.442 3.242 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000025439697 494740634 /nfs/dbraw/zinc/74/06/34/494740634.db2.gz RSMQFULLZUIDPA-INIZCTEOSA-N 1 1 369.421 3.249 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000025439697 494740644 /nfs/dbraw/zinc/74/06/44/494740644.db2.gz RSMQFULLZUIDPA-INIZCTEOSA-N 1 1 369.421 3.249 20 5 FGBDMO CNC(=O)c1ccc(NCC[C@H](C)[N@@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000080671657 494763055 /nfs/dbraw/zinc/76/30/55/494763055.db2.gz NXRAZEQGAJMXAY-HNNXBMFYSA-N 1 1 370.453 3.277 20 5 FGBDMO CCOc1ccc(C[N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000026188806 494807983 /nfs/dbraw/zinc/80/79/83/494807983.db2.gz MAKDMALOKMZKNY-UHFFFAOYSA-N 1 1 369.421 3.015 20 5 FGBDMO CCOc1ccc(C[N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000026188806 494807991 /nfs/dbraw/zinc/80/79/91/494807991.db2.gz MAKDMALOKMZKNY-UHFFFAOYSA-N 1 1 369.421 3.015 20 5 FGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000075677895 494813547 /nfs/dbraw/zinc/81/35/47/494813547.db2.gz NXLRDDUXYROKQD-KSZLIROESA-N 1 1 360.502 3.146 20 5 FGBDMO Cc1cccc(N2CCC(NC(=O)c3ccc([N+](=O)[O-])cc3C)CC2)[nH+]1 ZINC000116667377 494834510 /nfs/dbraw/zinc/83/45/10/494834510.db2.gz NTAOJBDJFKBVAQ-UHFFFAOYSA-N 1 1 354.410 3.005 20 5 FGBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])s1 ZINC000109307225 494858813 /nfs/dbraw/zinc/85/88/13/494858813.db2.gz VYVIJRDFJYXYSN-HNNXBMFYSA-N 1 1 359.451 3.298 20 5 FGBDMO CC[N@@H+](CCc1nccs1)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000093764549 494919010 /nfs/dbraw/zinc/91/90/10/494919010.db2.gz QNQWVGRJPGFLMM-UHFFFAOYSA-N 1 1 351.428 3.133 20 5 FGBDMO Cc1ccc(NCCCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[nH+]c1 ZINC000127787039 494998269 /nfs/dbraw/zinc/99/82/69/494998269.db2.gz PYMOVLZLKWFWQM-UHFFFAOYSA-N 1 1 353.382 3.012 20 5 FGBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000122603216 495002440 /nfs/dbraw/zinc/00/24/40/495002440.db2.gz LMFRBZRJTOLFOX-INIZCTEOSA-N 1 1 374.485 3.175 20 5 FGBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000122663229 495011902 /nfs/dbraw/zinc/01/19/02/495011902.db2.gz XJVTZJONEBVOID-MRXNPFEDSA-N 1 1 359.451 3.376 20 5 FGBDMO O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000101920490 495108121 /nfs/dbraw/zinc/10/81/21/495108121.db2.gz QFDUBMZYNGELHP-KRWDZBQOSA-N 1 1 372.400 3.172 20 5 FGBDMO O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000101920504 495108365 /nfs/dbraw/zinc/10/83/65/495108365.db2.gz XGYDLBGWIBTLMJ-MRXNPFEDSA-N 1 1 358.373 3.130 20 5 FGBDMO O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000101920504 495108370 /nfs/dbraw/zinc/10/83/70/495108370.db2.gz XGYDLBGWIBTLMJ-MRXNPFEDSA-N 1 1 358.373 3.130 20 5 FGBDMO CSc1ccc(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000119338850 495146040 /nfs/dbraw/zinc/14/60/40/495146040.db2.gz YQCGQAGSYRRIFC-ZDUSSCGKSA-N 1 1 351.472 3.024 20 5 FGBDMO C[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 ZINC000119429029 495166108 /nfs/dbraw/zinc/16/61/08/495166108.db2.gz RWEBOUIYNMERTH-UHFFFAOYSA-N 1 1 355.394 3.165 20 5 FGBDMO Cc1c(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000134897297 495218563 /nfs/dbraw/zinc/21/85/63/495218563.db2.gz WQGZTCJJCBCRHB-WMLDXEAASA-N 1 1 353.422 3.296 20 5 FGBDMO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000112700180 495224977 /nfs/dbraw/zinc/22/49/77/495224977.db2.gz FFHOOCHISNLLBE-CYBMUJFWSA-N 1 1 351.422 3.108 20 5 FGBDMO CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000112700180 495224980 /nfs/dbraw/zinc/22/49/80/495224980.db2.gz FFHOOCHISNLLBE-CYBMUJFWSA-N 1 1 351.422 3.108 20 5 FGBDMO C[N@@H+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c2ccccc2C1 ZINC000103446929 495233516 /nfs/dbraw/zinc/23/35/16/495233516.db2.gz OQGWEUWBCRGMKS-UHFFFAOYSA-N 1 1 350.378 3.168 20 5 FGBDMO C[N@H+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c2ccccc2C1 ZINC000103446929 495233519 /nfs/dbraw/zinc/23/35/19/495233519.db2.gz OQGWEUWBCRGMKS-UHFFFAOYSA-N 1 1 350.378 3.168 20 5 FGBDMO Cc1nn(C)c2ncc(C[N@H+](Cc3ccccc3[N+](=O)[O-])C3CC3)cc12 ZINC000135231933 495266730 /nfs/dbraw/zinc/26/67/30/495266730.db2.gz BRHRMAIEVWJBTC-UHFFFAOYSA-N 1 1 351.410 3.350 20 5 FGBDMO Cc1nn(C)c2ncc(C[N@@H+](Cc3ccccc3[N+](=O)[O-])C3CC3)cc12 ZINC000135231933 495266733 /nfs/dbraw/zinc/26/67/33/495266733.db2.gz BRHRMAIEVWJBTC-UHFFFAOYSA-N 1 1 351.410 3.350 20 5 FGBDMO O=C(CC[N@@H+]1CCc2c(F)cc(F)cc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000120546970 495402531 /nfs/dbraw/zinc/40/25/31/495402531.db2.gz GJZPIFFENIREQY-UHFFFAOYSA-N 1 1 361.348 3.260 20 5 FGBDMO O=C(CC[N@H+]1CCc2c(F)cc(F)cc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000120546970 495402535 /nfs/dbraw/zinc/40/25/35/495402535.db2.gz GJZPIFFENIREQY-UHFFFAOYSA-N 1 1 361.348 3.260 20 5 FGBDMO O=C(C[N@H+](Cc1cccc(O)c1)CC1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000120638140 495424595 /nfs/dbraw/zinc/42/45/95/495424595.db2.gz HRKXFBJIDANUAI-UHFFFAOYSA-N 1 1 355.394 3.151 20 5 FGBDMO O=C(C[N@@H+](Cc1cccc(O)c1)CC1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000120638140 495424600 /nfs/dbraw/zinc/42/46/00/495424600.db2.gz HRKXFBJIDANUAI-UHFFFAOYSA-N 1 1 355.394 3.151 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC(c4nc[nH]n4)CC3)o2)cc1 ZINC000130709155 495433293 /nfs/dbraw/zinc/43/32/93/495433293.db2.gz JDNRUTWQURHUPQ-UHFFFAOYSA-N 1 1 353.382 3.353 20 5 FGBDMO Cc1cccc(C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000137457948 495441951 /nfs/dbraw/zinc/44/19/51/495441951.db2.gz NFNRJRRCZVGPHM-WBVHZDCISA-N 1 1 353.422 3.296 20 5 FGBDMO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C[N@H+]1Cc1ccccc1 ZINC000137520308 495443509 /nfs/dbraw/zinc/44/35/09/495443509.db2.gz VBLFXFWJOUNVAJ-ZFWWWQNUSA-N 1 1 357.385 3.127 20 5 FGBDMO CCOc1ccc(NC(=O)CC[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000138299242 495458780 /nfs/dbraw/zinc/45/87/80/495458780.db2.gz HFYYMJVHPQQIMC-UHFFFAOYSA-N 1 1 369.421 3.380 20 5 FGBDMO C[C@H](CN1CCN(C)CC1)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000106486638 495459330 /nfs/dbraw/zinc/45/93/30/495459330.db2.gz KKGMWOPTYWOMRR-OAHLLOKOSA-N 1 1 374.510 3.049 20 5 FGBDMO COCc1ccc([C@H]2CCC[N@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000131082171 495489525 /nfs/dbraw/zinc/48/95/25/495489525.db2.gz SMRARXJHQJMBAT-QGZVFWFLSA-N 1 1 373.409 3.500 20 5 FGBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000120954048 495491806 /nfs/dbraw/zinc/49/18/06/495491806.db2.gz XBZHOYBWXWJXRN-WBMJQRKESA-N 1 1 374.466 3.131 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@@H+](C)C2Cc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000141270342 495504287 /nfs/dbraw/zinc/50/42/87/495504287.db2.gz LQYGSUDXVAOQCG-UHFFFAOYSA-N 1 1 369.421 3.031 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C[C@@H](C)O)C1CCCCC1 ZINC000170691629 495568532 /nfs/dbraw/zinc/56/85/32/495568532.db2.gz RZKRLHMFJHBPSO-OAHLLOKOSA-N 1 1 363.458 3.247 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cnc2cc(C)nn2c1C ZINC000179424231 495585778 /nfs/dbraw/zinc/58/57/78/495585778.db2.gz SUHOKWHTOOBULC-GFCCVEGCSA-N 1 1 355.398 3.114 20 5 FGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+](CCCO)[C@@H]2CCc3ccccc32)c1 ZINC000154414624 495609515 /nfs/dbraw/zinc/60/95/15/495609515.db2.gz SENFMLZQYALGLO-UXHICEINSA-N 1 1 356.422 3.000 20 5 FGBDMO C[C@@H](C(=O)N1CCC(Cc2[nH+]ccn2C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000185538718 495614225 /nfs/dbraw/zinc/61/42/25/495614225.db2.gz KXGMSTXDOPIVDF-CYBMUJFWSA-N 1 1 374.416 3.052 20 5 FGBDMO C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185696374 495683174 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FGBDMO CC[C@H]([NH2+]Cc1cc(=O)n2c(C)csc2n1)c1cccc([N+](=O)[O-])c1 ZINC000181563719 496447875 /nfs/dbraw/zinc/44/78/75/496447875.db2.gz INOWENCZQMVMOY-HNNXBMFYSA-N 1 1 358.423 3.214 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)c1 ZINC000172863423 496464904 /nfs/dbraw/zinc/46/49/04/496464904.db2.gz OLVSJZVMKRGSBZ-UHFFFAOYSA-N 1 1 369.421 3.030 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1Cc2ccccc2C[C@@H]1C ZINC000172909820 496487686 /nfs/dbraw/zinc/48/76/86/496487686.db2.gz FBJWFZXGINVHIA-AWEZNQCLSA-N 1 1 369.421 3.379 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)cn1 ZINC000153610831 496516505 /nfs/dbraw/zinc/51/65/05/496516505.db2.gz BKAQMXKEVPFWSU-UHFFFAOYSA-N 1 1 366.381 3.114 20 5 FGBDMO CC[C@@]1(CO)CCC[N@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000187636039 496517453 /nfs/dbraw/zinc/51/74/53/496517453.db2.gz OIEROKDQRAXQFK-QGZVFWFLSA-N 1 1 374.384 3.189 20 5 FGBDMO CC[C@@]1(CO)CCC[N@@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 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Cc1ccc([C@@H](C)NC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000176139539 496699545 /nfs/dbraw/zinc/69/95/45/496699545.db2.gz VPZAQJWWROYMSI-HZPDHXFCSA-N 1 1 362.474 3.384 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000182218937 496711726 /nfs/dbraw/zinc/71/17/26/496711726.db2.gz ZOYOZBMBYKIAHD-IAGOWNOFSA-N 1 1 360.385 3.311 20 5 FGBDMO COCC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000273293540 496765954 /nfs/dbraw/zinc/76/59/54/496765954.db2.gz QCMZTFCRMHAHQM-CYBMUJFWSA-N 1 1 367.789 3.147 20 5 FGBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247258605 496818288 /nfs/dbraw/zinc/81/82/88/496818288.db2.gz VCOSBZFOIDHARD-YOEHRIQHSA-N 1 1 368.437 3.081 20 5 FGBDMO COc1ccc(OCC[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000569175229 505868411 /nfs/dbraw/zinc/86/84/11/505868411.db2.gz FQCUOYGOISIKJX-QZTJIDSGSA-N 1 1 362.426 3.016 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@]1(CO)CC(C)C ZINC000191654779 496846821 /nfs/dbraw/zinc/84/68/21/496846821.db2.gz WQMOGTREXRQZCH-IBGZPJMESA-N 1 1 363.458 3.105 20 5 FGBDMO C[C@@H](c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000264406399 496894656 /nfs/dbraw/zinc/89/46/56/496894656.db2.gz FQYKCEWLUSTKJL-AWEZNQCLSA-N 1 1 355.394 3.240 20 5 FGBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000277886972 496922158 /nfs/dbraw/zinc/92/21/58/496922158.db2.gz DCWUJRKNSWRCRS-CYBMUJFWSA-N 1 1 353.850 3.361 20 5 FGBDMO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)CC1(O)CCOCC1 ZINC000188833501 496923654 /nfs/dbraw/zinc/92/36/54/496923654.db2.gz QZPFFYUXZIABIC-UHFFFAOYSA-N 1 1 362.451 3.297 20 5 FGBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000273903034 496951973 /nfs/dbraw/zinc/95/19/73/496951973.db2.gz XVJAMSFMRWIQBZ-AWEZNQCLSA-N 1 1 365.449 3.106 20 5 FGBDMO CSc1ccc(C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000195593543 496952071 /nfs/dbraw/zinc/95/20/71/496952071.db2.gz VWAMWNGQMAGRDB-CHWSQXEVSA-N 1 1 351.472 3.167 20 5 FGBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000248610575 497056609 /nfs/dbraw/zinc/05/66/09/497056609.db2.gz XNSHKRBREQDBGU-KGLIPLIRSA-N 1 1 351.422 3.074 20 5 FGBDMO Cc1c(Br)c(N[C@H]2CC[N@H+]3CCCC[C@@H]23)ncc1[N+](=O)[O-] ZINC000228015220 497091821 /nfs/dbraw/zinc/09/18/21/497091821.db2.gz GEAWAHPAHUUANF-QWRGUYRKSA-N 1 1 355.236 3.099 20 5 FGBDMO CCN(CC)[C@H](C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-])c1ccccc1 ZINC000236892545 497164015 /nfs/dbraw/zinc/16/40/15/497164015.db2.gz KLPJGEQWDKCNJX-GOSISDBHSA-N 1 1 373.453 3.482 20 5 FGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)COCc1ccccc1Cl ZINC000192707421 497190032 /nfs/dbraw/zinc/19/00/32/497190032.db2.gz UPXPVUWJTUSODH-INIZCTEOSA-N 1 1 364.829 3.258 20 5 FGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000192707966 497191151 /nfs/dbraw/zinc/19/11/51/497191151.db2.gz KKVFSDZUTKTFAD-GHTZIAJQSA-N 1 1 370.449 3.482 20 5 FGBDMO COc1ccc([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000249871070 497254091 /nfs/dbraw/zinc/25/40/91/497254091.db2.gz JVGNSBYXZZHAEP-GDBMZVCRSA-N 1 1 369.421 3.420 20 5 FGBDMO O=c1ccccn1Cc1ccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000237976559 497322413 /nfs/dbraw/zinc/32/24/13/497322413.db2.gz TZJYMVQIKADVEQ-UHFFFAOYSA-N 1 1 355.419 3.156 20 5 FGBDMO C[C@@H]1C[N@H+](Cc2ccc(CNc3ncc([N+](=O)[O-])s3)cc2)C[C@H](C)O1 ZINC000190315184 497434351 /nfs/dbraw/zinc/43/43/51/497434351.db2.gz ULCQZFVLSJRVHI-BETUJISGSA-N 1 1 362.455 3.273 20 5 FGBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[N@H+]1CCC[C@H](C)C1 ZINC000245522789 497439489 /nfs/dbraw/zinc/43/94/89/497439489.db2.gz MDAILVNTFOSUCE-NWDGAFQWSA-N 1 1 371.384 3.046 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000245526145 497440914 /nfs/dbraw/zinc/44/09/14/497440914.db2.gz OUZBJPOZVGGQHN-KHYOSLBOSA-N 1 1 357.454 3.440 20 5 FGBDMO CCc1ccc(C(=O)N2CC[NH2+]C[C@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000261957356 497482611 /nfs/dbraw/zinc/48/26/11/497482611.db2.gz MCBMVMALQDURON-SFHVURJKSA-N 1 1 357.385 3.083 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193793104 497484112 /nfs/dbraw/zinc/48/41/12/497484112.db2.gz SOVWQZBEMUEWRY-QGZVFWFLSA-N 1 1 353.422 3.155 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@@]2(C)CCCO)c([N+](=O)[O-])cc1OC(F)F ZINC000272008479 497510879 /nfs/dbraw/zinc/51/08/79/497510879.db2.gz JSVJDQQKUCRFLA-KRWDZBQOSA-N 1 1 374.384 3.332 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCO[C@H]([C@H]4CCCO4)C3)o2)cc1 ZINC000245728051 497518098 /nfs/dbraw/zinc/51/80/98/497518098.db2.gz DXURLJOXDJUUCD-MOPGFXCFSA-N 1 1 358.394 3.235 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCO[C@H]([C@H]4CCCO4)C3)o2)cc1 ZINC000245728051 497518104 /nfs/dbraw/zinc/51/81/04/497518104.db2.gz DXURLJOXDJUUCD-MOPGFXCFSA-N 1 1 358.394 3.235 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c([N+](=O)[O-])c1 ZINC000194066074 497563260 /nfs/dbraw/zinc/56/32/60/497563260.db2.gz LSGHFPADAQENBQ-CZUORRHYSA-N 1 1 361.354 3.184 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c([N+](=O)[O-])c1 ZINC000194066074 497563264 /nfs/dbraw/zinc/56/32/64/497563264.db2.gz LSGHFPADAQENBQ-CZUORRHYSA-N 1 1 361.354 3.184 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000267506675 497570174 /nfs/dbraw/zinc/57/01/74/497570174.db2.gz YQCWGJBVYYYVQP-RDTXWAMCSA-N 1 1 371.412 3.374 20 5 FGBDMO C[N@@H+]1CC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)cc1 ZINC000246006308 497594950 /nfs/dbraw/zinc/59/49/50/497594950.db2.gz YWNQAPSCBJDTNF-PKOBYXMFSA-N 1 1 373.840 3.352 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)cc1 ZINC000246006308 497594953 /nfs/dbraw/zinc/59/49/53/497594953.db2.gz YWNQAPSCBJDTNF-PKOBYXMFSA-N 1 1 373.840 3.352 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000194382458 497648834 /nfs/dbraw/zinc/64/88/34/497648834.db2.gz LEEFLQXVHMPTBR-UHFFFAOYSA-N 1 1 371.412 3.390 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000194382458 497648837 /nfs/dbraw/zinc/64/88/37/497648837.db2.gz LEEFLQXVHMPTBR-UHFFFAOYSA-N 1 1 371.412 3.390 20 5 FGBDMO C[C@@H](Cc1ccc(O)cc1)[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272530134 497652720 /nfs/dbraw/zinc/65/27/20/497652720.db2.gz MUAYERVPAVNRFP-LIRRHRJNSA-N 1 1 366.421 3.344 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000194400497 497655045 /nfs/dbraw/zinc/65/50/45/497655045.db2.gz LAJJIMKFFZKXFX-KRWDZBQOSA-N 1 1 353.422 3.298 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)Nc2ccc3c(c2)C[N@H+](C)C3)cccc1[N+](=O)[O-] ZINC000194511939 497690963 /nfs/dbraw/zinc/69/09/63/497690963.db2.gz SNUQUUFANHILQF-CYBMUJFWSA-N 1 1 354.410 3.288 20 5 FGBDMO C[C@H](NC(=O)Nc1ccncc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272766728 497724983 /nfs/dbraw/zinc/72/49/83/497724983.db2.gz WRDOGELIVQLWRC-HOCLYGCPSA-N 1 1 369.425 3.022 20 5 FGBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000280406427 497743537 /nfs/dbraw/zinc/74/35/37/497743537.db2.gz LDNFHMTYZVPSFK-CABCVRRESA-N 1 1 361.442 3.081 20 5 FGBDMO COc1ccc(NC(=O)N2CCC[N@H+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000272893939 497755379 /nfs/dbraw/zinc/75/53/79/497755379.db2.gz ZDSXFFKITGZJAQ-UHFFFAOYSA-N 1 1 362.430 3.086 20 5 FGBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCCC[C@@H](SC)C2)c([N+](=O)[O-])c1 ZINC000246559981 497774618 /nfs/dbraw/zinc/77/46/18/497774618.db2.gz KWMSTLBAUWXXLH-TZMCWYRMSA-N 1 1 367.471 3.148 20 5 FGBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCCC[C@@H](SC)C2)c([N+](=O)[O-])c1 ZINC000246559981 497774623 /nfs/dbraw/zinc/77/46/23/497774623.db2.gz KWMSTLBAUWXXLH-TZMCWYRMSA-N 1 1 367.471 3.148 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000191322704 497780270 /nfs/dbraw/zinc/78/02/70/497780270.db2.gz NQSHMMYQNWUHAD-UHFFFAOYSA-N 1 1 371.441 3.432 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000246710465 497802336 /nfs/dbraw/zinc/80/23/36/497802336.db2.gz NTOCASWJIQVSSU-FZMZJTMJSA-N 1 1 372.368 3.206 20 5 FGBDMO C[C@H]1C[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C[C@@]2(CCOC2)O1 ZINC000280603571 497822695 /nfs/dbraw/zinc/82/26/95/497822695.db2.gz VJTFLASKMWNSRP-OYHNWAKOSA-N 1 1 365.429 3.326 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C[C@@]2(CCOC2)O1 ZINC000280603571 497822697 /nfs/dbraw/zinc/82/26/97/497822697.db2.gz VJTFLASKMWNSRP-OYHNWAKOSA-N 1 1 365.429 3.326 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)NCC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000364272918 497872744 /nfs/dbraw/zinc/87/27/44/497872744.db2.gz WIJGXVIJLNYQPA-YTTRVJOFSA-N 1 1 360.458 3.136 20 5 FGBDMO COc1cccc(NC[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)c1[N+](=O)[O-] ZINC000364279340 497877474 /nfs/dbraw/zinc/87/74/74/497877474.db2.gz DZXBCAYJQVDTBH-INIZCTEOSA-N 1 1 356.426 3.323 20 5 FGBDMO COCCCOc1cccc(C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000364328912 497902236 /nfs/dbraw/zinc/90/22/36/497902236.db2.gz OZCZUPRDGIQNKM-QGZVFWFLSA-N 1 1 374.441 3.044 20 5 FGBDMO CC(=O)Nc1cccc(NC(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000292202812 497921629 /nfs/dbraw/zinc/92/16/29/497921629.db2.gz SLULRDVIZDYUCA-UHFFFAOYSA-N 1 1 370.409 3.017 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000292202055 497921661 /nfs/dbraw/zinc/92/16/61/497921661.db2.gz PPSPRSHLOPCOBO-CYBMUJFWSA-N 1 1 357.410 3.156 20 5 FGBDMO C[C@@H]1C[N@H+](C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCO1 ZINC000301058026 497933086 /nfs/dbraw/zinc/93/30/86/497933086.db2.gz AZIMPZCKNITQBI-GFCCVEGCSA-N 1 1 373.375 3.303 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]1c1ccccn1 ZINC000578483598 505950308 /nfs/dbraw/zinc/95/03/08/505950308.db2.gz RNGIESWGIHDNLH-KRWDZBQOSA-N 1 1 370.409 3.164 20 5 FGBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2C[C@@H](O)C(C)(C)C2)cc1OC ZINC000581290334 505952156 /nfs/dbraw/zinc/95/21/56/505952156.db2.gz GFQSFDXJLAULSI-FZKQIMNGSA-N 1 1 366.458 3.231 20 5 FGBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2C[C@@H](O)C(C)(C)C2)cc1OC ZINC000581290334 505952159 /nfs/dbraw/zinc/95/21/59/505952159.db2.gz GFQSFDXJLAULSI-FZKQIMNGSA-N 1 1 366.458 3.231 20 5 FGBDMO C[C@@H](NC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000292307103 497964368 /nfs/dbraw/zinc/96/43/68/497964368.db2.gz NEIPPCCLZPISBQ-LSDHHAIUSA-N 1 1 360.458 3.172 20 5 FGBDMO Cc1c([C@H](C)[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cccc1[N+](=O)[O-] ZINC000296262282 497976808 /nfs/dbraw/zinc/97/68/08/497976808.db2.gz DISGWODECFLCKU-HRCADAONSA-N 1 1 353.422 3.245 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000292420811 498008940 /nfs/dbraw/zinc/00/89/40/498008940.db2.gz VGXRVQIBCQJWHL-HNNXBMFYSA-N 1 1 374.485 3.038 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000364540947 498013418 /nfs/dbraw/zinc/01/34/18/498013418.db2.gz RLWYBGOTFLIJKZ-YQQAZPJKSA-N 1 1 358.442 3.160 20 5 FGBDMO C[C@H](NC(=O)N(C)CCC[N@@H+](C)Cc1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000296500468 498068062 /nfs/dbraw/zinc/06/80/62/498068062.db2.gz BPGMHMUWGQGADO-HNNXBMFYSA-N 1 1 374.441 3.412 20 5 FGBDMO C[C@]12CCC[N@H+]1C[C@@H](c1noc(-c3cc4cc([N+](=O)[O-])ccc4o3)n1)OC2 ZINC000350352273 498085300 /nfs/dbraw/zinc/08/53/00/498085300.db2.gz KPFSNWIMHLZSBI-MAUKXSAKSA-N 1 1 370.365 3.317 20 5 FGBDMO C[C@]12CCC[N@H+]1C[C@H](c1noc(-c3c[nH]c4ccc([N+](=O)[O-])cc43)n1)OC2 ZINC000350389547 498093072 /nfs/dbraw/zinc/09/30/72/498093072.db2.gz LJSXRANTTQYEBU-CRAIPNDOSA-N 1 1 369.381 3.052 20 5 FGBDMO CN(CC[C@@H]1CCCC[N@H+]1C)c1ncc([N+](=O)[O-])cc1Br ZINC000301534038 498152596 /nfs/dbraw/zinc/15/25/96/498152596.db2.gz MCFBFCTXNBOERC-NSHDSACASA-N 1 1 357.252 3.063 20 5 FGBDMO C[N@H+]1CC[C@H]2OCCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)[C@@H]2C1 ZINC000581444622 505989961 /nfs/dbraw/zinc/98/99/61/505989961.db2.gz SKTFVAUOUUHPGL-QZTJIDSGSA-N 1 1 373.478 3.228 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@@H](O)C34CCCC4)o2)c1 ZINC000292860999 498175144 /nfs/dbraw/zinc/17/51/44/498175144.db2.gz WJRYWNSLBKWNAD-QGZVFWFLSA-N 1 1 357.410 3.172 20 5 FGBDMO CC[C@@H](Nc1ccc([N+](=O)[O-])cn1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000301627054 498195270 /nfs/dbraw/zinc/19/52/70/498195270.db2.gz BAZHCMQKNXKCBA-QZTJIDSGSA-N 1 1 356.426 3.081 20 5 FGBDMO CC[C@@H](Nc1ccc([N+](=O)[O-])cn1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000301627054 498195277 /nfs/dbraw/zinc/19/52/77/498195277.db2.gz BAZHCMQKNXKCBA-QZTJIDSGSA-N 1 1 356.426 3.081 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000330795591 498195170 /nfs/dbraw/zinc/19/51/70/498195170.db2.gz WVZWZMVSMBGYCV-BETUJISGSA-N 1 1 351.472 3.260 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000330795591 498195178 /nfs/dbraw/zinc/19/51/78/498195178.db2.gz WVZWZMVSMBGYCV-BETUJISGSA-N 1 1 351.472 3.260 20 5 FGBDMO CC(C)C[N@H+]1CC[C@@H](CNc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000301689541 498224255 /nfs/dbraw/zinc/22/42/55/498224255.db2.gz WVEONZBRLYYBPI-NSHDSACASA-N 1 1 357.252 3.142 20 5 FGBDMO Cc1cc(F)c(NC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000296905788 498245921 /nfs/dbraw/zinc/24/59/21/498245921.db2.gz YEJLPKUSHMBFAU-LBPRGKRZSA-N 1 1 364.421 3.380 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C/C=C/c3ccc(F)c(F)c3)C2)nc1 ZINC000569741989 506005877 /nfs/dbraw/zinc/00/58/77/506005877.db2.gz ZRBBDOZUFZSBSS-VSZDKKFSSA-N 1 1 360.364 3.468 20 5 FGBDMO O=C1CCCN1C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000293105212 498269271 /nfs/dbraw/zinc/26/92/71/498269271.db2.gz ODAXRFCLOYYZKB-UHFFFAOYSA-N 1 1 371.359 3.200 20 5 FGBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(Nc2ncc([N+](=O)[O-])cc2C(N)=O)cc1 ZINC000301979318 498354438 /nfs/dbraw/zinc/35/44/38/498354438.db2.gz FRVRWUQNNOBYJA-ZDUSSCGKSA-N 1 1 369.425 3.207 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000282032876 498366137 /nfs/dbraw/zinc/36/61/37/498366137.db2.gz TXTYJBBPLHOMIY-BBRMVZONSA-N 1 1 364.446 3.188 20 5 FGBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)Nc1cccc([N+](=O)[O-])c1 ZINC000365240662 498369992 /nfs/dbraw/zinc/36/99/92/498369992.db2.gz ODZCXQXZICMVHR-INIZCTEOSA-N 1 1 369.425 3.024 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCCCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000286535411 498428319 /nfs/dbraw/zinc/42/83/19/498428319.db2.gz YLMBEDWLJAGQBR-ZDUSSCGKSA-N 1 1 359.430 3.310 20 5 FGBDMO Cc1cc(Nc2cccc3c2CC[N@@H+](CC(C)(C)O)C3)ncc1[N+](=O)[O-] ZINC000302201776 498440683 /nfs/dbraw/zinc/44/06/83/498440683.db2.gz ZOCVIGZHUDQLJH-UHFFFAOYSA-N 1 1 356.426 3.171 20 5 FGBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C2)C1 ZINC000297465967 498459213 /nfs/dbraw/zinc/45/92/13/498459213.db2.gz NLDXDVVOUYMMMZ-MRXNPFEDSA-N 1 1 352.822 3.198 20 5 FGBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc(Br)s3)CC2)n1 ZINC000365504155 498502061 /nfs/dbraw/zinc/50/20/61/498502061.db2.gz BLIAOEZFQJNVJX-UHFFFAOYSA-N 1 1 371.260 3.452 20 5 FGBDMO CN(C(=O)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1)c1ccccc1 ZINC000282431819 498509699 /nfs/dbraw/zinc/50/96/99/498509699.db2.gz HMSTWZLMIGQVNJ-HNNXBMFYSA-N 1 1 357.385 3.219 20 5 FGBDMO Cc1cc(N2CC[NH+](CC3CC3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302700459 498536745 /nfs/dbraw/zinc/53/67/45/498536745.db2.gz UUCDFIJNLJMVKY-UHFFFAOYSA-N 1 1 354.248 3.198 20 5 FGBDMO CC(C)c1nccn1[C@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000362781610 498552806 /nfs/dbraw/zinc/55/28/06/498552806.db2.gz OEUIBQYGZXYKLJ-ZWKOTPCHSA-N 1 1 358.442 3.285 20 5 FGBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000332137803 498575302 /nfs/dbraw/zinc/57/53/02/498575302.db2.gz QEWAAKDPGAVVAI-IXDOHACOSA-N 1 1 361.486 3.477 20 5 FGBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000332137803 498575304 /nfs/dbraw/zinc/57/53/04/498575304.db2.gz QEWAAKDPGAVVAI-IXDOHACOSA-N 1 1 361.486 3.477 20 5 FGBDMO C[C@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)[N@H+]1CCc2ccccc2C1 ZINC000302829573 498591977 /nfs/dbraw/zinc/59/19/77/498591977.db2.gz JWJDTLUSDKLYTA-CQSZACIVSA-N 1 1 352.438 3.422 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000365676435 498593188 /nfs/dbraw/zinc/59/31/88/498593188.db2.gz MWNJQOPFODPFRW-DYVFJYSZSA-N 1 1 359.451 3.388 20 5 FGBDMO Cn1cc(C[N@@H+](C)Cc2ccc(O)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000581753361 506060722 /nfs/dbraw/zinc/06/07/22/506060722.db2.gz UUEJEYUZEGFLKT-UHFFFAOYSA-N 1 1 352.394 3.333 20 5 FGBDMO O=[N+]([O-])c1c(F)cccc1NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000302882269 498613977 /nfs/dbraw/zinc/61/39/77/498613977.db2.gz JUVOPVHDEPQFQT-INIZCTEOSA-N 1 1 359.401 3.303 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C1CCC(F)(F)CC1 ZINC000287084581 498622722 /nfs/dbraw/zinc/62/27/22/498622722.db2.gz WSHIYVSNSVIFKK-UHFFFAOYSA-N 1 1 371.384 3.442 20 5 FGBDMO Cc1sc(C(=O)N2CCC(Nc3cccc(C)[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000363059954 498628378 /nfs/dbraw/zinc/62/83/78/498628378.db2.gz NNQWRGWZUKGTME-UHFFFAOYSA-N 1 1 360.439 3.385 20 5 FGBDMO C[C@@H](C(=O)N1CCc2ccccc21)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000576054872 506065205 /nfs/dbraw/zinc/06/52/05/506065205.db2.gz XUMGSNWINPWSIZ-HNNXBMFYSA-N 1 1 353.422 3.047 20 5 FGBDMO C[C@@H](C(=O)N1CCc2ccccc21)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000576054872 506065209 /nfs/dbraw/zinc/06/52/09/506065209.db2.gz XUMGSNWINPWSIZ-HNNXBMFYSA-N 1 1 353.422 3.047 20 5 FGBDMO CC(C)([NH2+]CCS(=O)(=O)Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000298063765 498654648 /nfs/dbraw/zinc/65/46/48/498654648.db2.gz GNPRRFBLPYCPID-UHFFFAOYSA-N 1 1 362.451 3.035 20 5 FGBDMO C[NH+](C)[C@H](CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])c1ccco1 ZINC000294501647 498710740 /nfs/dbraw/zinc/71/07/40/498710740.db2.gz XFOGGTDRBCGAKR-CYBMUJFWSA-N 1 1 371.315 3.239 20 5 FGBDMO COCCc1cc[nH+]c(N[C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000287333369 498718980 /nfs/dbraw/zinc/71/89/80/498718980.db2.gz GBLDCEJJXYNJJS-CYBMUJFWSA-N 1 1 358.398 3.008 20 5 FGBDMO CCOc1cc(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1[N+](=O)[O-] ZINC000312353068 498759228 /nfs/dbraw/zinc/75/92/28/498759228.db2.gz UDTDHVZBPJFUNY-SFHVURJKSA-N 1 1 371.437 3.306 20 5 FGBDMO CCOc1cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1[N+](=O)[O-] ZINC000312353068 498759233 /nfs/dbraw/zinc/75/92/33/498759233.db2.gz UDTDHVZBPJFUNY-SFHVURJKSA-N 1 1 371.437 3.306 20 5 FGBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C[C@H]2[C@@H]1c1ccccc1 ZINC000363417691 498810530 /nfs/dbraw/zinc/81/05/30/498810530.db2.gz BCLDSRMGLCCVNE-BJZITVGISA-N 1 1 369.396 3.109 20 5 FGBDMO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCCc2[nH+]ccn21 ZINC000366214781 498827314 /nfs/dbraw/zinc/82/73/14/498827314.db2.gz YZGMRXUTAGDKRG-LBPRGKRZSA-N 1 1 365.187 3.070 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCn1c[nH+]c2c1C[C@@H](C)[C@@H](C)C2 ZINC000295213218 498945264 /nfs/dbraw/zinc/94/52/64/498945264.db2.gz UWPIINGIGJPSOZ-QWHCGFSZSA-N 1 1 372.425 3.200 20 5 FGBDMO Cn1cc([C@@H](O)C[C@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000363693628 498947041 /nfs/dbraw/zinc/94/70/41/498947041.db2.gz AQJFHXDMKOTMAR-PBHICJAKSA-N 1 1 364.833 3.070 20 5 FGBDMO CC(C)[N@H+]1CCC[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000295329427 498981745 /nfs/dbraw/zinc/98/17/45/498981745.db2.gz MGKRURLOAIMENE-GFCCVEGCSA-N 1 1 359.348 3.216 20 5 FGBDMO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1Cc2ccccc2C1 ZINC000299194729 498992501 /nfs/dbraw/zinc/99/25/01/498992501.db2.gz HRRAEURJORTFFQ-UHFFFAOYSA-N 1 1 350.378 3.244 20 5 FGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCSC[C@H]2c2cccs2)c1 ZINC000366649745 499017977 /nfs/dbraw/zinc/01/79/77/499017977.db2.gz DAPUSSDAZBXSJJ-GJZGRUSLSA-N 1 1 350.465 3.480 20 5 FGBDMO C[NH+](C)[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)c1ccco1 ZINC000284017471 499031092 /nfs/dbraw/zinc/03/10/92/499031092.db2.gz OEPSEDFJWYALHC-LBPRGKRZSA-N 1 1 352.778 3.266 20 5 FGBDMO COc1cc(C[N@H+]2CCC3(CCOCC3)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000363864233 499031336 /nfs/dbraw/zinc/03/13/36/499031336.db2.gz CVQJKZMAWBCNLT-ZDUSSCGKSA-N 1 1 350.415 3.003 20 5 FGBDMO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000284152322 499059420 /nfs/dbraw/zinc/05/94/20/499059420.db2.gz VSIBGYZDYBBDQE-NSHDSACASA-N 1 1 354.453 3.301 20 5 FGBDMO Cc1cccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000366808143 499081145 /nfs/dbraw/zinc/08/11/45/499081145.db2.gz LCKGIBSZOLIQGC-WMZOPIPTSA-N 1 1 357.385 3.218 20 5 FGBDMO Cc1cccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000366808143 499081148 /nfs/dbraw/zinc/08/11/48/499081148.db2.gz LCKGIBSZOLIQGC-WMZOPIPTSA-N 1 1 357.385 3.218 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000364040120 499095791 /nfs/dbraw/zinc/09/57/91/499095791.db2.gz VPPYEIZJOCSMPZ-PIKOESSRSA-N 1 1 371.481 3.106 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000364047829 499098602 /nfs/dbraw/zinc/09/86/02/499098602.db2.gz LIELLZMRJNYQCK-VBZNHOPUSA-N 1 1 359.470 3.295 20 5 FGBDMO CCN1CCC[C@@H](C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cnn(C)c1 ZINC000372513021 499136886 /nfs/dbraw/zinc/13/68/86/499136886.db2.gz BDAJIGYQYPYKIB-FXAWDEMLSA-N 1 1 371.485 3.233 20 5 FGBDMO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000367093512 499147396 /nfs/dbraw/zinc/14/73/96/499147396.db2.gz UJKAFBWRHKSUIK-GJZGRUSLSA-N 1 1 350.394 3.133 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c2c(c1)COCO2 ZINC000367402235 499194778 /nfs/dbraw/zinc/19/47/78/499194778.db2.gz JIXBXVJHXUWJHN-GJZGRUSLSA-N 1 1 362.426 3.100 20 5 FGBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C[C@@H]2[C@H]1c1ccccc1 ZINC000370383175 499215163 /nfs/dbraw/zinc/21/51/63/499215163.db2.gz CDMLSCAJEGXJBC-DKSSEZFCSA-N 1 1 369.396 3.109 20 5 FGBDMO COc1cc(C[NH+]2CCC(n3cc(Cl)cn3)CC2)c([N+](=O)[O-])cc1F ZINC000370419177 499219073 /nfs/dbraw/zinc/21/90/73/499219073.db2.gz SQKAEOWOGCFHME-UHFFFAOYSA-N 1 1 368.796 3.430 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000367752547 499230900 /nfs/dbraw/zinc/23/09/00/499230900.db2.gz XDHDPDZXJGBHRT-HNNXBMFYSA-N 1 1 363.483 3.406 20 5 FGBDMO CCc1[nH+]ccn1C[C@H]1CCCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000367841365 499237491 /nfs/dbraw/zinc/23/74/91/499237491.db2.gz FVZFHBJJONSEAC-LLVKDONJSA-N 1 1 358.427 3.027 20 5 FGBDMO Cn1cc[nH+]c1C[C@H]1CCCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000370643152 499238733 /nfs/dbraw/zinc/23/87/33/499238733.db2.gz IGZLEBHWJUAJMD-CQSZACIVSA-N 1 1 351.410 3.336 20 5 FGBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000579296620 506138889 /nfs/dbraw/zinc/13/88/89/506138889.db2.gz HSUHIGKHTDLPST-QWHCGFSZSA-N 1 1 371.865 3.252 20 5 FGBDMO CCOc1ccc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2CC)cc1[N+](=O)[O-] ZINC000371121679 499290504 /nfs/dbraw/zinc/29/05/04/499290504.db2.gz FTFTYUDHAXXJQA-OAHLLOKOSA-N 1 1 372.425 3.057 20 5 FGBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(c3c[nH]cn3)CC2)ccc1Br ZINC000371332834 499311717 /nfs/dbraw/zinc/31/17/17/499311717.db2.gz BEWDVZFDNXVPFB-UHFFFAOYSA-N 1 1 365.231 3.460 20 5 FGBDMO COCc1nccc([C@@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000371439149 499326719 /nfs/dbraw/zinc/32/67/19/499326719.db2.gz SCAXEJGNCXBCDK-MRXNPFEDSA-N 1 1 356.426 3.219 20 5 FGBDMO COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc3c2C[N@H+](C2CC2)C3)c1 ZINC000371553502 499341363 /nfs/dbraw/zinc/34/13/63/499341363.db2.gz NQTQTZBNXKSQOM-UHFFFAOYSA-N 1 1 353.378 3.334 20 5 FGBDMO Cc1cc(C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c2ccccc2n1 ZINC000372358670 499424709 /nfs/dbraw/zinc/42/47/09/499424709.db2.gz SPTKVOIFLQDYFS-MRXNPFEDSA-N 1 1 351.410 3.485 20 5 FGBDMO C[N@@H+](C[C@@H]1CC12CCN(C(=O)c1ccc([N+](=O)[O-])cc1F)CC2)C1CC1 ZINC000372442858 499435371 /nfs/dbraw/zinc/43/53/71/499435371.db2.gz AKSBKOFLZZLSRW-ZDUSSCGKSA-N 1 1 361.417 3.070 20 5 FGBDMO C[C@@H](C(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000373258160 499460195 /nfs/dbraw/zinc/46/01/95/499460195.db2.gz GSILMLAKNKYSBD-ZIAGYGMSSA-N 1 1 363.433 3.313 20 5 FGBDMO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c1C ZINC000375405324 499514678 /nfs/dbraw/zinc/51/46/78/499514678.db2.gz QSQJHOYKYMDDPV-HOTGVXAUSA-N 1 1 371.441 3.072 20 5 FGBDMO Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c1C ZINC000375405324 499514679 /nfs/dbraw/zinc/51/46/79/499514679.db2.gz QSQJHOYKYMDDPV-HOTGVXAUSA-N 1 1 371.441 3.072 20 5 FGBDMO CCOc1cc(C[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)ccc1[N+](=O)[O-] ZINC000375466263 499522553 /nfs/dbraw/zinc/52/25/53/499522553.db2.gz SQEKQTHTJBIGLT-CQSZACIVSA-N 1 1 358.398 3.243 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCCN(C(=O)c2ccoc2)CC1 ZINC000375863575 499563309 /nfs/dbraw/zinc/56/33/09/499563309.db2.gz YCLIMWJXKJCKET-HNNXBMFYSA-N 1 1 357.410 3.405 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCCN(C(=O)c2ccoc2)CC1 ZINC000375863575 499563311 /nfs/dbraw/zinc/56/33/11/499563311.db2.gz YCLIMWJXKJCKET-HNNXBMFYSA-N 1 1 357.410 3.405 20 5 FGBDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000398073409 499566284 /nfs/dbraw/zinc/56/62/84/499566284.db2.gz HSFARWWYLXBLPG-QGZVFWFLSA-N 1 1 370.453 3.063 20 5 FGBDMO O=C(NCc1c[nH+]c2n1CCCC2)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000375969826 499572687 /nfs/dbraw/zinc/57/26/87/499572687.db2.gz RKJBANTYOMRKRY-UHFFFAOYSA-N 1 1 372.428 3.144 20 5 FGBDMO CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000410088478 499640561 /nfs/dbraw/zinc/64/05/61/499640561.db2.gz PZNAEGPHTFKORV-QGZVFWFLSA-N 1 1 370.453 3.126 20 5 FGBDMO O=[N+]([O-])c1cnc(N2CCC[C@H]2[C@@H]2CCC[N@H+]2Cc2ccccc2)nc1 ZINC000376922880 499646471 /nfs/dbraw/zinc/64/64/71/499646471.db2.gz LYVJGCWGCPKZQL-ROUUACIJSA-N 1 1 353.426 3.018 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@H](n4cncn4)C3)s2)cc1 ZINC000377284252 499676648 /nfs/dbraw/zinc/67/66/48/499676648.db2.gz ZVHWOHARZKAAAG-HNNXBMFYSA-N 1 1 355.423 3.362 20 5 FGBDMO O=C(NCc1c[nH+]c2n1CCCC2)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000377306020 499678504 /nfs/dbraw/zinc/67/85/04/499678504.db2.gz QLSONBLYYPHHBQ-UHFFFAOYSA-N 1 1 369.425 3.002 20 5 FGBDMO CC(=O)c1ccc(NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000377703518 499722777 /nfs/dbraw/zinc/72/27/77/499722777.db2.gz MQVUBOMHYBGUFJ-KXBFYZLASA-N 1 1 371.441 3.026 20 5 FGBDMO CC(=O)c1ccc(NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000377703518 499722778 /nfs/dbraw/zinc/72/27/78/499722778.db2.gz MQVUBOMHYBGUFJ-KXBFYZLASA-N 1 1 371.441 3.026 20 5 FGBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@H](C)CCSC)c([N+](=O)[O-])c1 ZINC000411376831 499731212 /nfs/dbraw/zinc/73/12/12/499731212.db2.gz UUTTXFWYEFGREH-GFCCVEGCSA-N 1 1 355.460 3.005 20 5 FGBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3csc([N+](=O)[O-])c3)C[C@@H]2[C@H]1c1ccccc1 ZINC000377815313 499737800 /nfs/dbraw/zinc/73/78/00/499737800.db2.gz VSHQWMSWCNOJBL-HLLBOEOZSA-N 1 1 357.435 3.031 20 5 FGBDMO C[C@@H]1COC[C@H](c2ccccc2)[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411432351 499739554 /nfs/dbraw/zinc/73/95/54/499739554.db2.gz WCJNTVKIOUDSNB-DNVCBOLYSA-N 1 1 369.421 3.385 20 5 FGBDMO C[C@@H]1COC[C@H](c2ccccc2)[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411432351 499739555 /nfs/dbraw/zinc/73/95/55/499739555.db2.gz WCJNTVKIOUDSNB-DNVCBOLYSA-N 1 1 369.421 3.385 20 5 FGBDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411510829 499749496 /nfs/dbraw/zinc/74/94/96/499749496.db2.gz ZRYOLZZDHQLTDO-RBUKOAKNSA-N 1 1 359.470 3.421 20 5 FGBDMO CS(=O)(=O)c1ccccc1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000414254661 499771698 /nfs/dbraw/zinc/77/16/98/499771698.db2.gz MOXROEOURKBDOY-QGZVFWFLSA-N 1 1 360.435 3.166 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000411767664 499788484 /nfs/dbraw/zinc/78/84/84/499788484.db2.gz BNMHIWFCOMTCSC-GDBMZVCRSA-N 1 1 361.442 3.443 20 5 FGBDMO CN(C)C(=O)C1([NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000414484962 499798002 /nfs/dbraw/zinc/79/80/02/499798002.db2.gz KHZDNIGCRWHELE-UHFFFAOYSA-N 1 1 368.437 3.073 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000411951838 499806068 /nfs/dbraw/zinc/80/60/68/499806068.db2.gz SIKVOAPRUIZZAY-QFBILLFUSA-N 1 1 369.421 3.040 20 5 FGBDMO CC(C)Oc1cc(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000412031541 499814642 /nfs/dbraw/zinc/81/46/42/499814642.db2.gz FXTBJIVUXTULIK-HNNXBMFYSA-N 1 1 361.442 3.129 20 5 FGBDMO COc1ccc(-c2ccc(CN3CCC[C@H]([C@@H](C)[NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000414654786 499817312 /nfs/dbraw/zinc/81/73/12/499817312.db2.gz GOSFOALWXYFZHI-KGLIPLIRSA-N 1 1 359.426 3.423 20 5 FGBDMO Cc1c[nH+]cn1C1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000412260279 499839151 /nfs/dbraw/zinc/83/91/51/499839151.db2.gz SCKTZDOQKOYFKM-ZWKOTPCHSA-N 1 1 354.410 3.067 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc(O)c3)CC2)c2cccnc21 ZINC000413110791 499915144 /nfs/dbraw/zinc/91/51/44/499915144.db2.gz OSURMVLASFZVHL-UHFFFAOYSA-N 1 1 364.405 3.171 20 5 FGBDMO C[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)CC[N@H+]1Cc1ccccc1 ZINC000413531592 499982132 /nfs/dbraw/zinc/98/21/32/499982132.db2.gz MOGLSPVHNYMZQP-OAHLLOKOSA-N 1 1 363.421 3.249 20 5 FGBDMO COc1ccc(OCC[N@H+]2Cc3ccccc3O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000429163486 500016849 /nfs/dbraw/zinc/01/68/49/500016849.db2.gz NPOQVCLSTVUANM-AWEZNQCLSA-N 1 1 358.394 3.265 20 5 FGBDMO COc1ccc(OCC[N@@H+]2Cc3ccccc3O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000429163486 500016851 /nfs/dbraw/zinc/01/68/51/500016851.db2.gz NPOQVCLSTVUANM-AWEZNQCLSA-N 1 1 358.394 3.265 20 5 FGBDMO CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000421393989 500037060 /nfs/dbraw/zinc/03/70/60/500037060.db2.gz SCWLNSCYIGDDHQ-LBPRGKRZSA-N 1 1 363.801 3.219 20 5 FGBDMO CC(C)[C@H](C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)N1CCN(C)CC1 ZINC000417324736 500039626 /nfs/dbraw/zinc/03/96/26/500039626.db2.gz QHZWFUQUAYOLCI-SFTDATJTSA-N 1 1 374.529 3.224 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1CN1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000425421774 500101138 /nfs/dbraw/zinc/10/11/38/500101138.db2.gz WEDSNJUEJURGPT-LBPRGKRZSA-N 1 1 365.231 3.460 20 5 FGBDMO CCC[N@H+](CC(N)=O)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000430141194 500199028 /nfs/dbraw/zinc/19/90/28/500199028.db2.gz WTLSPZCLEHYFHD-UHFFFAOYSA-N 1 1 361.373 3.224 20 5 FGBDMO CCC[N@@H+](CC(N)=O)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000430141194 500199030 /nfs/dbraw/zinc/19/90/30/500199030.db2.gz WTLSPZCLEHYFHD-UHFFFAOYSA-N 1 1 361.373 3.224 20 5 FGBDMO COC(=O)[C@H](C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)c1ccccc1 ZINC000430212059 500210146 /nfs/dbraw/zinc/21/01/46/500210146.db2.gz ZCKXLRRYRDZNJZ-FZKQIMNGSA-N 1 1 358.394 3.243 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCSC3(CCCCC3)C2)c1 ZINC000430767052 500282359 /nfs/dbraw/zinc/28/23/59/500282359.db2.gz WLYFIUANCAQTIQ-INIZCTEOSA-N 1 1 366.483 3.086 20 5 FGBDMO O=[N+]([O-])c1cc(Br)cnc1NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000431427546 500376371 /nfs/dbraw/zinc/37/63/71/500376371.db2.gz OZSKBIDMEOAALD-LBPRGKRZSA-N 1 1 355.236 3.181 20 5 FGBDMO C[C@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](C)C1 ZINC000431870514 500436862 /nfs/dbraw/zinc/43/68/62/500436862.db2.gz IUONNSJQNBZRAT-LSDHHAIUSA-N 1 1 362.474 3.250 20 5 FGBDMO COc1ccc([C@H](C[NH3+])CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000420353215 500446279 /nfs/dbraw/zinc/44/62/79/500446279.db2.gz BKBGBFMMFRIGJP-QGZVFWFLSA-N 1 1 355.438 3.310 20 5 FGBDMO C[C@@H](c1cccnc1)[NH+]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432324912 500498840 /nfs/dbraw/zinc/49/88/40/500498840.db2.gz ILRUDJZYUWFLCU-HNNXBMFYSA-N 1 1 363.421 3.421 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@H](O)CC34CCC4)o2)c1 ZINC000420998060 500550551 /nfs/dbraw/zinc/55/05/51/500550551.db2.gz SUXKVIRFEOVRAA-INIZCTEOSA-N 1 1 357.410 3.172 20 5 FGBDMO CCC[C@]1(COC)CCC[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000447378919 500597170 /nfs/dbraw/zinc/59/71/70/500597170.db2.gz ANPSKKCFSZBVSU-GOSISDBHSA-N 1 1 352.431 3.263 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](c3ccccc3)C2)c1 ZINC000433048639 500613796 /nfs/dbraw/zinc/61/37/96/500613796.db2.gz XWEFFYCLXNOCNN-MJGOQNOKSA-N 1 1 356.422 3.214 20 5 FGBDMO Cc1ccc2nc(C[NH2+][C@@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)[nH]c2c1 ZINC000447563968 500625544 /nfs/dbraw/zinc/62/55/44/500625544.db2.gz TVRRNPKOQUYETH-ZBFHGGJFSA-N 1 1 354.414 3.250 20 5 FGBDMO CCc1ccc([C@H]([NH2+]CC2([S@@](C)=O)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000442800036 500627323 /nfs/dbraw/zinc/62/73/23/500627323.db2.gz JOENBPFSVISWAY-CRICUBBOSA-N 1 1 362.451 3.340 20 5 FGBDMO CC[N@H+](Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)[C@@H]1CCNC1=O ZINC000442971873 500656285 /nfs/dbraw/zinc/65/62/85/500656285.db2.gz YXQKNEGRNSDXSZ-GOSISDBHSA-N 1 1 368.437 3.073 20 5 FGBDMO CC[N@@H+](Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)[C@@H]1CCNC1=O ZINC000442971873 500656288 /nfs/dbraw/zinc/65/62/88/500656288.db2.gz YXQKNEGRNSDXSZ-GOSISDBHSA-N 1 1 368.437 3.073 20 5 FGBDMO O=[N+]([O-])c1cccc(OCC[N@@H+](CCc2ccccc2)[C@H]2CCOC2)c1 ZINC000437550090 500659293 /nfs/dbraw/zinc/65/92/93/500659293.db2.gz XDLXAPQSBSPYOY-IBGZPJMESA-N 1 1 356.422 3.307 20 5 FGBDMO O=C1[C@@H]([N@@H+]2CC[C@@H]2Cc2ccccc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000437833323 500703774 /nfs/dbraw/zinc/70/37/74/500703774.db2.gz KOVIZEMYUIJKEN-MJGOQNOKSA-N 1 1 351.406 3.017 20 5 FGBDMO O=C1[C@@H]([N@H+]2CC[C@@H]2Cc2ccccc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000437833323 500703775 /nfs/dbraw/zinc/70/37/75/500703775.db2.gz KOVIZEMYUIJKEN-MJGOQNOKSA-N 1 1 351.406 3.017 20 5 FGBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC000437853280 500707023 /nfs/dbraw/zinc/70/70/23/500707023.db2.gz WHMSPOSKAUBEPB-OAHLLOKOSA-N 1 1 361.442 3.130 20 5 FGBDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000443337750 500711929 /nfs/dbraw/zinc/71/19/29/500711929.db2.gz CTQOWOBOAYZIPX-CPUCHLNUSA-N 1 1 359.426 3.274 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3c[nH]nc3-c3ccsc3)C2)nc1 ZINC000438093134 500736760 /nfs/dbraw/zinc/73/67/60/500736760.db2.gz IDGCTXUHSJFODC-CQSZACIVSA-N 1 1 370.438 3.128 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000448707517 500810644 /nfs/dbraw/zinc/81/06/44/500810644.db2.gz KDEZXQUEORBKCD-LLVKDONJSA-N 1 1 359.348 3.218 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+](CCO)[C@H]3CCCc4ccccc43)nc2c1 ZINC000444664153 500875389 /nfs/dbraw/zinc/87/53/89/500875389.db2.gz PZTYENBOOVAVHI-IBGZPJMESA-N 1 1 366.421 3.343 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+](CCO)[C@H]3CCCc4ccccc43)nc2c1 ZINC000444664153 500875394 /nfs/dbraw/zinc/87/53/94/500875394.db2.gz PZTYENBOOVAVHI-IBGZPJMESA-N 1 1 366.421 3.343 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC(Cc4cccnc4)CC3)nc2c1 ZINC000444689104 500879895 /nfs/dbraw/zinc/87/98/95/500879895.db2.gz MFSXXXVNUYRYEW-UHFFFAOYSA-N 1 1 351.410 3.321 20 5 FGBDMO Cc1cc(C)cc(C[N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC000444709077 500884345 /nfs/dbraw/zinc/88/43/45/500884345.db2.gz RRTOSGNRZKPHKI-UHFFFAOYSA-N 1 1 353.422 3.233 20 5 FGBDMO Cc1cc(C)cc(C[N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC000444709077 500884347 /nfs/dbraw/zinc/88/43/47/500884347.db2.gz RRTOSGNRZKPHKI-UHFFFAOYSA-N 1 1 353.422 3.233 20 5 FGBDMO CN(Cc1c(F)cccc1[N+](=O)[O-])C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434737919 500885303 /nfs/dbraw/zinc/88/53/03/500885303.db2.gz MIXIYBNHCWWFGZ-KXBFYZLASA-N 1 1 358.417 3.254 20 5 FGBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000435583113 500995471 /nfs/dbraw/zinc/99/54/71/500995471.db2.gz DYGQFDUDHSSTKL-MRXNPFEDSA-N 1 1 360.458 3.163 20 5 FGBDMO CC[C@@H](c1ccccc1)[N@@H+](CC(C)C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000440330852 500997825 /nfs/dbraw/zinc/99/78/25/500997825.db2.gz WDCOGFAOBRYJRP-OALUTQOASA-N 1 1 360.458 3.262 20 5 FGBDMO Cc1ccccc1CCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000440359369 501000305 /nfs/dbraw/zinc/00/03/05/501000305.db2.gz PEYOOOKRZUMBSK-UHFFFAOYSA-N 1 1 367.449 3.294 20 5 FGBDMO CCO[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000449501744 501019558 /nfs/dbraw/zinc/01/95/58/501019558.db2.gz WBPKKNZAHKMYHJ-KDOFPFPSSA-N 1 1 358.442 3.242 20 5 FGBDMO CCOc1ccccc1C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C)n2)[C@H](C)C1 ZINC000440648708 501034131 /nfs/dbraw/zinc/03/41/31/501034131.db2.gz KCZGKFJFFZXACQ-OAHLLOKOSA-N 1 1 370.453 3.408 20 5 FGBDMO CCOc1ccccc1C[N@H+]1CCN(c2ccc([N+](=O)[O-])c(C)n2)[C@H](C)C1 ZINC000440648708 501034135 /nfs/dbraw/zinc/03/41/35/501034135.db2.gz KCZGKFJFFZXACQ-OAHLLOKOSA-N 1 1 370.453 3.408 20 5 FGBDMO COc1cc(C[N@H+](C)[C@H]2C[C@H](OC)C23CCC3)c([N+](=O)[O-])cc1OC ZINC000449629888 501046442 /nfs/dbraw/zinc/04/64/42/501046442.db2.gz GUSBOXNMXSSADN-IRXDYDNUSA-N 1 1 350.415 3.001 20 5 FGBDMO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000449661485 501053538 /nfs/dbraw/zinc/05/35/38/501053538.db2.gz CDFLBHROTIBOGC-SDQPKGBYSA-N 1 1 357.376 3.424 20 5 FGBDMO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000449661485 501053540 /nfs/dbraw/zinc/05/35/40/501053540.db2.gz CDFLBHROTIBOGC-SDQPKGBYSA-N 1 1 357.376 3.424 20 5 FGBDMO CC1(C)C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000441076336 501084520 /nfs/dbraw/zinc/08/45/20/501084520.db2.gz DCYCIOKKPZEDTM-QUCCMNQESA-N 1 1 370.449 3.460 20 5 FGBDMO COc1cc(CN(C)[C@@H]2CC[N@H+](C(C)C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000449785657 501086909 /nfs/dbraw/zinc/08/69/09/501086909.db2.gz ICGYDZVQADTEJS-CYBMUJFWSA-N 1 1 373.400 3.119 20 5 FGBDMO C[C@H](c1cccnc1)[NH+]1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450334597 501094228 /nfs/dbraw/zinc/09/42/28/501094228.db2.gz TZYYDGCKWYUGEC-OAHLLOKOSA-N 1 1 363.421 3.421 20 5 FGBDMO Cc1nc(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)ncc1[N+](=O)[O-] ZINC000450402184 501112622 /nfs/dbraw/zinc/11/26/22/501112622.db2.gz IPAAZHOMFRHXCE-HIFRSBDPSA-N 1 1 365.796 3.343 20 5 FGBDMO Cc1nc(N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)ncc1[N+](=O)[O-] ZINC000450402184 501112623 /nfs/dbraw/zinc/11/26/23/501112623.db2.gz IPAAZHOMFRHXCE-HIFRSBDPSA-N 1 1 365.796 3.343 20 5 FGBDMO Cc1ncc(C[NH+]2CCN(c3nccc4c3cccc4[N+](=O)[O-])CC2)s1 ZINC000450309662 501230651 /nfs/dbraw/zinc/23/06/51/501230651.db2.gz ABPMYBXZBGGOIE-UHFFFAOYSA-N 1 1 369.450 3.230 20 5 FGBDMO CCOc1ccc(NC(=O)Cn2c[nH+]c3c2C[C@@H](C)[C@@H](C)C3)c([N+](=O)[O-])c1 ZINC000450997763 501237707 /nfs/dbraw/zinc/23/77/07/501237707.db2.gz KMRHSQKUFDOPKF-QWHCGFSZSA-N 1 1 372.425 3.200 20 5 FGBDMO O=C(CC[N@H+]1CCC[C@H](c2ccncc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000451004390 501238484 /nfs/dbraw/zinc/23/84/84/501238484.db2.gz NALVLLXISKWNDB-INIZCTEOSA-N 1 1 354.410 3.198 20 5 FGBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CC/C=C/c2ccccc2)CC1 ZINC000451075497 501243612 /nfs/dbraw/zinc/24/36/12/501243612.db2.gz BJFDROVYBPIQJD-UXBLZVDNSA-N 1 1 365.433 3.456 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCn1c[nH+]c2c1C[C@H](C)[C@@H](C)C2 ZINC000451345867 501271514 /nfs/dbraw/zinc/27/15/14/501271514.db2.gz SVDZOQWSHDVGMB-STQMWFEESA-N 1 1 356.426 3.499 20 5 FGBDMO C[C@@]12C[N@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000451358557 501274243 /nfs/dbraw/zinc/27/42/43/501274243.db2.gz BXIFPNNRFPIWOA-YVVSIOMPSA-N 1 1 361.829 3.331 20 5 FGBDMO C[C@@]12C[N@@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000451358557 501274247 /nfs/dbraw/zinc/27/42/47/501274247.db2.gz BXIFPNNRFPIWOA-YVVSIOMPSA-N 1 1 361.829 3.331 20 5 FGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](C[C@@H](O)COCc3ccccc3)C2)cc1 ZINC000451553278 501321758 /nfs/dbraw/zinc/32/17/58/501321758.db2.gz YAPROYKCPAEMCW-TZIWHRDSSA-N 1 1 370.449 3.352 20 5 FGBDMO COC(=O)c1c(Cl)c(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000596082125 506247223 /nfs/dbraw/zinc/24/72/23/506247223.db2.gz GYDRFTWPJNSEHA-GHMZBOCLSA-N 1 1 353.806 3.074 20 5 FGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451882320 501392484 /nfs/dbraw/zinc/39/24/84/501392484.db2.gz CBWHCEUSJYCFKY-ABAIWWIYSA-N 1 1 362.348 3.127 20 5 FGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451882320 501392488 /nfs/dbraw/zinc/39/24/88/501392488.db2.gz CBWHCEUSJYCFKY-ABAIWWIYSA-N 1 1 362.348 3.127 20 5 FGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000602679770 506258683 /nfs/dbraw/zinc/25/86/83/506258683.db2.gz JDKRHSIVMIUGFE-BXKDBHETSA-N 1 1 372.265 3.359 20 5 FGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000602679770 506258689 /nfs/dbraw/zinc/25/86/89/506258689.db2.gz JDKRHSIVMIUGFE-BXKDBHETSA-N 1 1 372.265 3.359 20 5 FGBDMO C[C@H](CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccccc1 ZINC000454496822 501560760 /nfs/dbraw/zinc/56/07/60/501560760.db2.gz VFOCXZVWXNPUSY-CVEARBPZSA-N 1 1 370.453 3.476 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000582506771 506261447 /nfs/dbraw/zinc/26/14/47/506261447.db2.gz RPTDALAAMBYSCE-KXBFYZLASA-N 1 1 353.422 3.296 20 5 FGBDMO CCC[N@H+]1CC[C@@H](CNC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000454586002 501584648 /nfs/dbraw/zinc/58/46/48/501584648.db2.gz OSIPBQTVKNWNMN-WMZOPIPTSA-N 1 1 374.485 3.216 20 5 FGBDMO CC1(C)CCC[N@H+]1CCNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000457050600 501641050 /nfs/dbraw/zinc/64/10/50/501641050.db2.gz GWCSGIDLORAHFA-UHFFFAOYSA-N 1 1 368.437 3.261 20 5 FGBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC000457095750 501650018 /nfs/dbraw/zinc/65/00/18/501650018.db2.gz QEGOQOWYEPHJQM-LLVKDONJSA-N 1 1 359.348 3.168 20 5 FGBDMO C[C@H](Cc1cccc(F)c1)[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000459763829 501710764 /nfs/dbraw/zinc/71/07/64/501710764.db2.gz XHRGQYNQWMEWDJ-RDTXWAMCSA-N 1 1 362.401 3.037 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000598999096 506270920 /nfs/dbraw/zinc/27/09/20/506270920.db2.gz DWLVBBKNQZFADQ-YOEHRIQHSA-N 1 1 360.458 3.280 20 5 FGBDMO COCC[C@H]1CCCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000467264033 501751117 /nfs/dbraw/zinc/75/11/17/501751117.db2.gz HKGQFXLTFZZHHG-MRXNPFEDSA-N 1 1 363.458 3.370 20 5 FGBDMO CC(C)[N@H+]1CCC[C@H](NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000470671479 501761667 /nfs/dbraw/zinc/76/16/67/501761667.db2.gz TYPVOAKBWZSMRO-KBPBESRZSA-N 1 1 351.472 3.064 20 5 FGBDMO Cc1c(CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000481470676 501784407 /nfs/dbraw/zinc/78/44/07/501784407.db2.gz YESVAGHEXVFZLF-LJQANCHMSA-N 1 1 367.449 3.432 20 5 FGBDMO Cc1cccc(C[N@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)c1 ZINC000460348604 501799349 /nfs/dbraw/zinc/79/93/49/501799349.db2.gz PVVRNRHRNJVTHW-UHFFFAOYSA-N 1 1 365.437 3.492 20 5 FGBDMO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000470815166 501814782 /nfs/dbraw/zinc/81/47/82/501814782.db2.gz XYHMNNSZFVGPFJ-HOCLYGCPSA-N 1 1 364.446 3.096 20 5 FGBDMO C[NH+](C)Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000478054558 501866645 /nfs/dbraw/zinc/86/66/45/501866645.db2.gz RIGDWAMRTLPLIK-UHFFFAOYSA-N 1 1 363.801 3.327 20 5 FGBDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000481738243 501869480 /nfs/dbraw/zinc/86/94/80/501869480.db2.gz GJEPTVHVPXBYCZ-AWEZNQCLSA-N 1 1 356.426 3.227 20 5 FGBDMO COc1cc(N2CC[C@H](C[N@@H+](C)CC3CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596146457 506278487 /nfs/dbraw/zinc/27/84/87/506278487.db2.gz BTNOUVUREFFAJM-CYBMUJFWSA-N 1 1 353.850 3.425 20 5 FGBDMO CCOc1cc(N2CC[NH+](Cc3c(C)onc3CC)CC2)ccc1[N+](=O)[O-] ZINC000481785246 501883392 /nfs/dbraw/zinc/88/33/92/501883392.db2.gz WSQWCLRDNIYPAE-UHFFFAOYSA-N 1 1 374.441 3.175 20 5 FGBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000485721032 501914529 /nfs/dbraw/zinc/91/45/29/501914529.db2.gz PLZRKXZJKUAQDT-ZDUSSCGKSA-N 1 1 369.412 3.044 20 5 FGBDMO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1Br ZINC000478408394 501971379 /nfs/dbraw/zinc/97/13/79/501971379.db2.gz MGWIDRLPFNCPHX-UHFFFAOYSA-N 1 1 353.220 3.076 20 5 FGBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1Br ZINC000478408394 501971385 /nfs/dbraw/zinc/97/13/85/501971385.db2.gz MGWIDRLPFNCPHX-UHFFFAOYSA-N 1 1 353.220 3.076 20 5 FGBDMO CC(C)N(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000592874040 506286352 /nfs/dbraw/zinc/28/63/52/506286352.db2.gz QQTJMONVVHENMR-MRXNPFEDSA-N 1 1 356.426 3.048 20 5 FGBDMO Cc1c(CNC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000478631317 502039051 /nfs/dbraw/zinc/03/90/51/502039051.db2.gz KTGRSBNDRWDDOK-HNNXBMFYSA-N 1 1 370.453 3.223 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@]3(CC[C@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000475086808 502050549 /nfs/dbraw/zinc/05/05/49/502050549.db2.gz IUFIUAGZPPHRBX-IFXJQAMLSA-N 1 1 362.426 3.159 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@H](C)C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000475093132 502054136 /nfs/dbraw/zinc/05/41/36/502054136.db2.gz FYFWGBABGOFLTD-CQSZACIVSA-N 1 1 362.426 3.159 20 5 FGBDMO Cc1ncc([N+](=O)[O-])n1CC[NH+]1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000602764242 506290866 /nfs/dbraw/zinc/29/08/66/506290866.db2.gz ODDUSHSVNVGTKY-NXEZZACHSA-N 1 1 374.285 3.162 20 5 FGBDMO C[C@H](C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000468464217 502065999 /nfs/dbraw/zinc/06/59/99/502065999.db2.gz WWLMCCYWGDJSPM-BLLLJJGKSA-N 1 1 351.422 3.074 20 5 FGBDMO Cc1c(CNC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000478767325 502079974 /nfs/dbraw/zinc/07/99/74/502079974.db2.gz MBUNCIPHTZDLIZ-HNNXBMFYSA-N 1 1 362.474 3.215 20 5 FGBDMO CC[C@@H](Nc1ccc([N+](=O)[O-])nc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000471694394 502110659 /nfs/dbraw/zinc/11/06/59/502110659.db2.gz UEBGMMRPPVUNEY-QZTJIDSGSA-N 1 1 356.426 3.081 20 5 FGBDMO CC[C@@H](Nc1ccc([N+](=O)[O-])nc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000471694394 502110664 /nfs/dbraw/zinc/11/06/64/502110664.db2.gz UEBGMMRPPVUNEY-QZTJIDSGSA-N 1 1 356.426 3.081 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCOCc1ccccc1 ZINC000464854253 502122509 /nfs/dbraw/zinc/12/25/09/502122509.db2.gz OEKFRMLVLXGIGB-OAHLLOKOSA-N 1 1 357.410 3.070 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCOCc1ccccc1 ZINC000464854253 502122514 /nfs/dbraw/zinc/12/25/14/502122514.db2.gz OEKFRMLVLXGIGB-OAHLLOKOSA-N 1 1 357.410 3.070 20 5 FGBDMO Cc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000475300317 502124798 /nfs/dbraw/zinc/12/47/98/502124798.db2.gz ISHNAWNRKUYBKJ-GOSISDBHSA-N 1 1 353.422 3.250 20 5 FGBDMO COc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000471813030 502143034 /nfs/dbraw/zinc/14/30/34/502143034.db2.gz XPFKSBAKPJXZDO-KBXCAEBGSA-N 1 1 372.421 3.138 20 5 FGBDMO COc1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000471813032 502143488 /nfs/dbraw/zinc/14/34/88/502143488.db2.gz XPFKSBAKPJXZDO-KSSFIOAISA-N 1 1 372.421 3.138 20 5 FGBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000461620198 502155892 /nfs/dbraw/zinc/15/58/92/502155892.db2.gz VTRMNDCQDLMGKW-OAHLLOKOSA-N 1 1 362.474 3.045 20 5 FGBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000461652207 502163418 /nfs/dbraw/zinc/16/34/18/502163418.db2.gz YXHZLHHFYRLCPQ-STQMWFEESA-N 1 1 371.865 3.252 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@@H]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000475558939 502213216 /nfs/dbraw/zinc/21/32/16/502213216.db2.gz LZGBQAZLMLQURY-DZGCQCFKSA-N 1 1 350.415 3.157 20 5 FGBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])n2C)cc1 ZINC000479291258 502215260 /nfs/dbraw/zinc/21/52/60/502215260.db2.gz YCQUVDARASCTDJ-HNNXBMFYSA-N 1 1 370.453 3.238 20 5 FGBDMO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000483041852 502255222 /nfs/dbraw/zinc/25/52/22/502255222.db2.gz JKDXTVODXNHJNH-MRXNPFEDSA-N 1 1 350.415 3.170 20 5 FGBDMO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000483041852 502255229 /nfs/dbraw/zinc/25/52/29/502255229.db2.gz JKDXTVODXNHJNH-MRXNPFEDSA-N 1 1 350.415 3.170 20 5 FGBDMO CCC[C@H](C)[C@H]1CCC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000486785775 502260044 /nfs/dbraw/zinc/26/00/44/502260044.db2.gz FABHVAZZMPZZRY-GXTWGEPZSA-N 1 1 363.414 3.163 20 5 FGBDMO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487266605 502405523 /nfs/dbraw/zinc/40/55/23/502405523.db2.gz IZJKYCOCBAAKIJ-MAUKXSAKSA-N 1 1 353.422 3.235 20 5 FGBDMO COCC[N@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C[C@H]1CC=CCC1 ZINC000483489904 502408592 /nfs/dbraw/zinc/40/85/92/502408592.db2.gz YDNXVNUHZHNRGO-HNNXBMFYSA-N 1 1 364.442 3.417 20 5 FGBDMO C[C@@H]([N@H+](Cc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000469443901 502421368 /nfs/dbraw/zinc/42/13/68/502421368.db2.gz DCGFWUDJNPIUJL-QAPCUYQASA-N 1 1 360.458 3.089 20 5 FGBDMO C[C@H]1C[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000466515880 502594652 /nfs/dbraw/zinc/59/46/52/502594652.db2.gz PMEPBBCFEBYZDA-WMLDXEAASA-N 1 1 354.410 3.379 20 5 FGBDMO COCC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCC[C@@H]1C ZINC000488009573 502598808 /nfs/dbraw/zinc/59/88/08/502598808.db2.gz NRKGJOOGDDUFBU-SUMWQHHRSA-N 1 1 350.415 3.098 20 5 FGBDMO C[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCCC[C@H]1C ZINC000466552381 502605490 /nfs/dbraw/zinc/60/54/90/502605490.db2.gz BZJNBKZWWBLLBO-OLZOCXBDSA-N 1 1 368.865 3.310 20 5 FGBDMO Cc1cc(F)ccc1C[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000488033523 502606421 /nfs/dbraw/zinc/60/64/21/502606421.db2.gz JGVLCWAWJICTBK-UHFFFAOYSA-N 1 1 357.385 3.063 20 5 FGBDMO Cc1cc(F)ccc1C[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000488033523 502606427 /nfs/dbraw/zinc/60/64/27/502606427.db2.gz JGVLCWAWJICTBK-UHFFFAOYSA-N 1 1 357.385 3.063 20 5 FGBDMO Cc1cc(N2CC[C@H]3CC[N@H+](C)C[C@@H]32)c(Br)cc1[N+](=O)[O-] ZINC000473536697 502628670 /nfs/dbraw/zinc/62/86/70/502628670.db2.gz XACGWEFKAYPEMK-ABAIWWIYSA-N 1 1 354.248 3.196 20 5 FGBDMO COCC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCC[C@H]1C ZINC000488110785 502629415 /nfs/dbraw/zinc/62/94/15/502629415.db2.gz QRESVQYNXAIUOQ-CJNGLKHVSA-N 1 1 360.414 3.282 20 5 FGBDMO C[C@H](C[NH+]1CCCCCC1)N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000480719968 502652801 /nfs/dbraw/zinc/65/28/01/502652801.db2.gz ZBSLAHWKFSYGRB-JKSUJKDBSA-N 1 1 362.474 3.166 20 5 FGBDMO O=C(NCc1cnc[nH]1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000488190743 502653059 /nfs/dbraw/zinc/65/30/59/502653059.db2.gz SPQUQZBTEQOSAG-UHFFFAOYSA-N 1 1 354.391 3.399 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000470168089 502689384 /nfs/dbraw/zinc/68/93/84/502689384.db2.gz WNIBJEXLEXTNFL-APWZRJJASA-N 1 1 359.470 3.297 20 5 FGBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000470168091 502690500 /nfs/dbraw/zinc/69/05/00/502690500.db2.gz WNIBJEXLEXTNFL-QFBILLFUSA-N 1 1 359.470 3.297 20 5 FGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000470170093 502691919 /nfs/dbraw/zinc/69/19/19/502691919.db2.gz OKCJKRWLRGUYOZ-LYPXWFNGSA-N 1 1 359.470 3.042 20 5 FGBDMO CC[N@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)[C@H](C)CS(=O)(=O)CC ZINC000470175485 502694415 /nfs/dbraw/zinc/69/44/15/502694415.db2.gz QSJDKLOVCUXPBW-BAAYTWLHSA-N 1 1 354.472 3.143 20 5 FGBDMO CC[N@@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)[C@H](C)CS(=O)(=O)CC ZINC000470175485 502694422 /nfs/dbraw/zinc/69/44/22/502694422.db2.gz QSJDKLOVCUXPBW-BAAYTWLHSA-N 1 1 354.472 3.143 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(Cc2ccncc2)CC1 ZINC000470201399 502703977 /nfs/dbraw/zinc/70/39/77/502703977.db2.gz HOZAKDFTPLYFAP-GHRIWEEISA-N 1 1 352.438 3.211 20 5 FGBDMO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470215650 502707015 /nfs/dbraw/zinc/70/70/15/502707015.db2.gz XASARDNKIDVSLM-AYUCCAJWSA-N 1 1 362.426 3.041 20 5 FGBDMO Cc1ccc(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000467060714 502774925 /nfs/dbraw/zinc/77/49/25/502774925.db2.gz SSVZVYOBISFZIP-CRAIPNDOSA-N 1 1 353.422 3.296 20 5 FGBDMO C[C@@H]1[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000588771198 506333807 /nfs/dbraw/zinc/33/38/07/506333807.db2.gz DMJROHBOIQRPNW-UZLBHIALSA-N 1 1 367.449 3.307 20 5 FGBDMO COCC[N@@H+](C)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000505073002 502848421 /nfs/dbraw/zinc/84/84/21/502848421.db2.gz DCGNGQIPVHULPN-IBGZPJMESA-N 1 1 371.437 3.034 20 5 FGBDMO CCc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488986170 502854109 /nfs/dbraw/zinc/85/41/09/502854109.db2.gz QRTFZRBCPWUSDR-AWEZNQCLSA-N 1 1 371.441 3.018 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000509488217 502916386 /nfs/dbraw/zinc/91/63/86/502916386.db2.gz JRAUOQSQQSZZLP-QWHCGFSZSA-N 1 1 351.472 3.262 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000509488217 502916387 /nfs/dbraw/zinc/91/63/87/502916387.db2.gz JRAUOQSQQSZZLP-QWHCGFSZSA-N 1 1 351.472 3.262 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](c2ccccc2)C(C)(C)CO)c1 ZINC000593026615 506343907 /nfs/dbraw/zinc/34/39/07/506343907.db2.gz DPJQWZUERFOYQU-SFHVURJKSA-N 1 1 372.421 3.231 20 5 FGBDMO O=C(CC[N@H+]1CC[C@H](COc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000505889736 503006933 /nfs/dbraw/zinc/00/69/33/503006933.db2.gz JDMIVDNAWIRERJ-INIZCTEOSA-N 1 1 369.421 3.324 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000490008708 503088912 /nfs/dbraw/zinc/08/89/12/503088912.db2.gz QKKQDAFPSWXCCR-QAPCUYQASA-N 1 1 368.437 3.498 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000490008708 503088914 /nfs/dbraw/zinc/08/89/14/503088914.db2.gz QKKQDAFPSWXCCR-QAPCUYQASA-N 1 1 368.437 3.498 20 5 FGBDMO O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000506345495 503098076 /nfs/dbraw/zinc/09/80/76/503098076.db2.gz AUPUIKJBVDYTJI-MRXNPFEDSA-N 1 1 361.442 3.075 20 5 FGBDMO O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506345495 503098079 /nfs/dbraw/zinc/09/80/79/503098079.db2.gz AUPUIKJBVDYTJI-MRXNPFEDSA-N 1 1 361.442 3.075 20 5 FGBDMO O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506345495 503098083 /nfs/dbraw/zinc/09/80/83/503098083.db2.gz AUPUIKJBVDYTJI-MRXNPFEDSA-N 1 1 361.442 3.075 20 5 FGBDMO Cc1ccc([C@H]2C[C@@H](C)[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)cc1 ZINC000490090276 503107767 /nfs/dbraw/zinc/10/77/67/503107767.db2.gz LESNQGZUVYWCNN-KDOFPFPSSA-N 1 1 353.422 3.380 20 5 FGBDMO Cc1ccc([C@H]2C[C@H](C)[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)cc1 ZINC000490090279 503107917 /nfs/dbraw/zinc/10/79/17/503107917.db2.gz LESNQGZUVYWCNN-KSSFIOAISA-N 1 1 353.422 3.380 20 5 FGBDMO COC[C@H](Cc1ccccc1)[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501957528 503116015 /nfs/dbraw/zinc/11/60/15/503116015.db2.gz YFILOGNBBIAQNW-KRWDZBQOSA-N 1 1 371.437 3.113 20 5 FGBDMO Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])c(C)s2)[NH+]2CCCC2)o1 ZINC000506455453 503117490 /nfs/dbraw/zinc/11/74/90/503117490.db2.gz YQMWLUCYERYYPV-AWEZNQCLSA-N 1 1 363.439 3.433 20 5 FGBDMO CCn1nc(C)c(C[N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)c1C ZINC000602924568 506354828 /nfs/dbraw/zinc/35/48/28/506354828.db2.gz FPZZSZOCGFHCKR-UHFFFAOYSA-N 1 1 373.457 3.197 20 5 FGBDMO CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000506733268 503162579 /nfs/dbraw/zinc/16/25/79/503162579.db2.gz RTZGANULDLASQR-QGZVFWFLSA-N 1 1 369.421 3.037 20 5 FGBDMO CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000506733268 503162582 /nfs/dbraw/zinc/16/25/82/503162582.db2.gz RTZGANULDLASQR-QGZVFWFLSA-N 1 1 369.421 3.037 20 5 FGBDMO O=[N+]([O-])c1cc(Br)cnc1NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000599166733 506355902 /nfs/dbraw/zinc/35/59/02/506355902.db2.gz ZIMLZTAVJQQUDL-LBPRGKRZSA-N 1 1 355.236 3.181 20 5 FGBDMO C[C@H]1CCc2ccccc2N1C(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511062490 503245001 /nfs/dbraw/zinc/24/50/01/503245001.db2.gz DIJFNFIVPXUORM-INIZCTEOSA-N 1 1 367.449 3.437 20 5 FGBDMO C[C@H]1CCc2ccccc2N1C(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511062490 503245004 /nfs/dbraw/zinc/24/50/04/503245004.db2.gz DIJFNFIVPXUORM-INIZCTEOSA-N 1 1 367.449 3.437 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000507202945 503248904 /nfs/dbraw/zinc/24/89/04/503248904.db2.gz IDNRBPCHOAKKNW-OAHLLOKOSA-N 1 1 369.421 3.340 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000507202945 503248908 /nfs/dbraw/zinc/24/89/08/503248908.db2.gz IDNRBPCHOAKKNW-OAHLLOKOSA-N 1 1 369.421 3.340 20 5 FGBDMO COc1cc(C[N@@H+](CCO)[C@H]2CC[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000515011849 503250456 /nfs/dbraw/zinc/25/04/56/503250456.db2.gz UZAKVVOPPBCFAR-YPMHNXCESA-N 1 1 374.384 3.188 20 5 FGBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1csc(-c2ncccn2)n1 ZINC000511111059 503258258 /nfs/dbraw/zinc/25/82/58/503258258.db2.gz XDRNGNURHGVGNG-UHFFFAOYSA-N 1 1 355.423 3.183 20 5 FGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1csc(-c2ncccn2)n1 ZINC000511111059 503258263 /nfs/dbraw/zinc/25/82/63/503258263.db2.gz XDRNGNURHGVGNG-UHFFFAOYSA-N 1 1 355.423 3.183 20 5 FGBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000515183681 503287042 /nfs/dbraw/zinc/28/70/42/503287042.db2.gz KCRRJXNGDYADFZ-NSHDSACASA-N 1 1 372.263 3.208 20 5 FGBDMO CC[N@H+]1C[C@@H](C)N(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C ZINC000498926446 503296368 /nfs/dbraw/zinc/29/63/68/503296368.db2.gz CDFHVPZQCAQTBD-LSDHHAIUSA-N 1 1 358.442 3.207 20 5 FGBDMO CCN1C[C@@H](C)[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C ZINC000498926446 503296373 /nfs/dbraw/zinc/29/63/73/503296373.db2.gz CDFHVPZQCAQTBD-LSDHHAIUSA-N 1 1 358.442 3.207 20 5 FGBDMO CCN1C[C@@H](C)[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C ZINC000498926446 503296378 /nfs/dbraw/zinc/29/63/78/503296378.db2.gz CDFHVPZQCAQTBD-LSDHHAIUSA-N 1 1 358.442 3.207 20 5 FGBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000515236366 503299303 /nfs/dbraw/zinc/29/93/03/503299303.db2.gz LCOGRSJSPJTVME-OAHLLOKOSA-N 1 1 364.446 3.380 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(C)(C2CC2)CC1 ZINC000515444743 503339571 /nfs/dbraw/zinc/33/95/71/503339571.db2.gz VITRSOOIPVNCQT-CYBMUJFWSA-N 1 1 361.442 3.443 20 5 FGBDMO C[N@@H+](CCc1ccc(Cl)cc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000492396925 503367280 /nfs/dbraw/zinc/36/72/80/503367280.db2.gz DNTSNFJDNAXUEP-QGZVFWFLSA-N 1 1 364.829 3.162 20 5 FGBDMO COc1cc(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000511677105 503368126 /nfs/dbraw/zinc/36/81/26/503368126.db2.gz GARMXUXCJHYABH-RHSMWYFYSA-N 1 1 369.421 3.169 20 5 FGBDMO CCOc1cc(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000492481162 503371648 /nfs/dbraw/zinc/37/16/48/503371648.db2.gz CVRLGXMBTBTUFW-CQSZACIVSA-N 1 1 350.415 3.157 20 5 FGBDMO CCNc1ccc(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000511709979 503374110 /nfs/dbraw/zinc/37/41/10/503374110.db2.gz ZCAZKYUZJRJSLH-ZBFHGGJFSA-N 1 1 374.485 3.409 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)c1 ZINC000515744991 503394348 /nfs/dbraw/zinc/39/43/48/503394348.db2.gz WCJCOHFMLZFWHX-HKUYNNGSSA-N 1 1 374.412 3.181 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000507920787 503396829 /nfs/dbraw/zinc/39/68/29/503396829.db2.gz RRQPYYZELAHUNV-GOSISDBHSA-N 1 1 354.385 3.389 20 5 FGBDMO CCC[C@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC[N@H+]1CCOC ZINC000499640169 503447912 /nfs/dbraw/zinc/44/79/12/503447912.db2.gz FZAXOXVQQHFWLC-AWEZNQCLSA-N 1 1 373.400 3.133 20 5 FGBDMO Cc1sc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cc1[N+](=O)[O-] ZINC000494058024 503481021 /nfs/dbraw/zinc/48/10/21/503481021.db2.gz DXPWIQYOQAQYOX-SWLSCSKDSA-N 1 1 359.451 3.358 20 5 FGBDMO C/C(=C\c1ccccc1)C[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000494235463 503509445 /nfs/dbraw/zinc/50/94/45/503509445.db2.gz WSWZCPQIHUBISN-QIPRVMPFSA-N 1 1 356.422 3.370 20 5 FGBDMO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)C1 ZINC000494373332 503532764 /nfs/dbraw/zinc/53/27/64/503532764.db2.gz XAAFWMODTRBJCS-MQIPJXDCSA-N 1 1 366.849 3.442 20 5 FGBDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000512464357 503560203 /nfs/dbraw/zinc/56/02/03/503560203.db2.gz WUFBKOMDOGEJMX-HIFRSBDPSA-N 1 1 360.414 3.160 20 5 FGBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000500425243 503621288 /nfs/dbraw/zinc/62/12/88/503621288.db2.gz NMWGTTIBZKXXFN-LSDHHAIUSA-N 1 1 368.437 3.033 20 5 FGBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000500425243 503621292 /nfs/dbraw/zinc/62/12/92/503621292.db2.gz NMWGTTIBZKXXFN-LSDHHAIUSA-N 1 1 368.437 3.033 20 5 FGBDMO CC[C@H](C)[C@@H]1CCCC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000543205965 503678168 /nfs/dbraw/zinc/67/81/68/503678168.db2.gz FFMXUPQDBUBSGM-YOEHRIQHSA-N 1 1 354.472 3.269 20 5 FGBDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000543205965 503678175 /nfs/dbraw/zinc/67/81/75/503678175.db2.gz FFMXUPQDBUBSGM-YOEHRIQHSA-N 1 1 354.472 3.269 20 5 FGBDMO NC(=O)c1ccc(C[NH2+][C@H](CC(F)(F)F)c2ccccc2)c([N+](=O)[O-])c1 ZINC000537075992 503794180 /nfs/dbraw/zinc/79/41/80/503794180.db2.gz MTIHIMVSKHFVIW-CQSZACIVSA-N 1 1 367.327 3.477 20 5 FGBDMO Cc1c(NC(=O)CC[N@@H+](Cc2ccccc2)C[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000533295664 503794956 /nfs/dbraw/zinc/79/49/56/503794956.db2.gz HRMXDTRXMVFBJG-OAHLLOKOSA-N 1 1 371.437 3.115 20 5 FGBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000537210576 503843293 /nfs/dbraw/zinc/84/32/93/503843293.db2.gz KNYYGDHEHZGDNU-QLFBSQMISA-N 1 1 363.458 3.090 20 5 FGBDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000533435865 503844724 /nfs/dbraw/zinc/84/47/24/503844724.db2.gz LUCLRQAOYCPGBL-CRAIPNDOSA-N 1 1 365.433 3.362 20 5 FGBDMO CCN1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000533447428 503850227 /nfs/dbraw/zinc/85/02/27/503850227.db2.gz YFSPBAHQNRGCDN-HZPDHXFCSA-N 1 1 362.474 3.036 20 5 FGBDMO CCN1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000533447428 503850233 /nfs/dbraw/zinc/85/02/33/503850233.db2.gz YFSPBAHQNRGCDN-HZPDHXFCSA-N 1 1 362.474 3.036 20 5 FGBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000517877410 503855580 /nfs/dbraw/zinc/85/55/80/503855580.db2.gz RGOXAZSNTBOCJT-GDBMZVCRSA-N 1 1 369.421 3.169 20 5 FGBDMO CC[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000546815531 503888103 /nfs/dbraw/zinc/88/81/03/503888103.db2.gz DJSAXWONISTGBU-IBGZPJMESA-N 1 1 367.449 3.260 20 5 FGBDMO COc1ccc(-c2ccc(CNCC[N@@H+]3CC[C@@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000540802793 503898141 /nfs/dbraw/zinc/89/81/41/503898141.db2.gz LJJJZWXMQMZNNE-CQSZACIVSA-N 1 1 359.426 3.295 20 5 FGBDMO COc1ccc(-c2ccc(CNCC[N@H+]3CC[C@@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000540802793 503898145 /nfs/dbraw/zinc/89/81/45/503898145.db2.gz LJJJZWXMQMZNNE-CQSZACIVSA-N 1 1 359.426 3.295 20 5 FGBDMO Cc1ccc([C@@H](C)NC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000533818155 503961823 /nfs/dbraw/zinc/96/18/23/503961823.db2.gz CBQAHHBRVKSMTO-RDTXWAMCSA-N 1 1 368.437 3.450 20 5 FGBDMO Cc1ccc([C@@H](C)NC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000533818155 503961824 /nfs/dbraw/zinc/96/18/24/503961824.db2.gz CBQAHHBRVKSMTO-RDTXWAMCSA-N 1 1 368.437 3.450 20 5 FGBDMO C[C@@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C)C1 ZINC000541014654 503975318 /nfs/dbraw/zinc/97/53/18/503975318.db2.gz YLATWDJGGWWJMF-NEPJUHHUSA-N 1 1 371.384 3.046 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](OC)C2)cc1OC ZINC000541057154 503988287 /nfs/dbraw/zinc/98/82/87/503988287.db2.gz ZNOHREDNFOGFOE-ZFWWWQNUSA-N 1 1 352.431 3.249 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@H](OC)C2)cc1OC ZINC000541057154 503988294 /nfs/dbraw/zinc/98/82/94/503988294.db2.gz ZNOHREDNFOGFOE-ZFWWWQNUSA-N 1 1 352.431 3.249 20 5 FGBDMO C[N@@H+]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[C@@H](c2ccccc2)C1 ZINC000534249659 504084078 /nfs/dbraw/zinc/08/40/78/504084078.db2.gz SYKHABQFCTUBMO-GOSISDBHSA-N 1 1 364.405 3.205 20 5 FGBDMO C[N@H+]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[C@@H](c2ccccc2)C1 ZINC000534249659 504084082 /nfs/dbraw/zinc/08/40/82/504084082.db2.gz SYKHABQFCTUBMO-GOSISDBHSA-N 1 1 364.405 3.205 20 5 FGBDMO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000547767398 504216591 /nfs/dbraw/zinc/21/65/91/504216591.db2.gz AQPZEBIKEFAFQY-FQEVSTJZSA-N 1 1 367.449 3.308 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)c1 ZINC000544896572 504293926 /nfs/dbraw/zinc/29/39/26/504293926.db2.gz AHZJHQPOAJPRAS-INIZCTEOSA-N 1 1 365.393 3.419 20 5 FGBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000545148061 504375237 /nfs/dbraw/zinc/37/52/37/504375237.db2.gz DYJCJXCLQLNVEW-CQSZACIVSA-N 1 1 351.422 3.002 20 5 FGBDMO Cc1ccccc1[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000542277047 504434860 /nfs/dbraw/zinc/43/48/60/504434860.db2.gz IUCQOBBETBOCEJ-MRXNPFEDSA-N 1 1 374.462 3.166 20 5 FGBDMO Cc1ccccc1[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000542277047 504434866 /nfs/dbraw/zinc/43/48/66/504434866.db2.gz IUCQOBBETBOCEJ-MRXNPFEDSA-N 1 1 374.462 3.166 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000542276868 504435354 /nfs/dbraw/zinc/43/53/54/504435354.db2.gz FQTUSPIVILWNAP-GOSISDBHSA-N 1 1 374.412 3.386 20 5 FGBDMO Cc1ccccc1[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000542277045 504435413 /nfs/dbraw/zinc/43/54/13/504435413.db2.gz IUCQOBBETBOCEJ-INIZCTEOSA-N 1 1 374.462 3.166 20 5 FGBDMO Cc1ccccc1[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000542277045 504435418 /nfs/dbraw/zinc/43/54/18/504435418.db2.gz IUCQOBBETBOCEJ-INIZCTEOSA-N 1 1 374.462 3.166 20 5 FGBDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2c2ccc3ncccc3c2[N+](=O)[O-])C[C@H](C)O1 ZINC000548614404 504496198 /nfs/dbraw/zinc/49/61/98/504496198.db2.gz PCYCMNPHDDQUOA-XHSDSOJGSA-N 1 1 370.453 3.221 20 5 FGBDMO Cc1cc(CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)cc(N2CCCC2)[nH+]1 ZINC000520466451 504506731 /nfs/dbraw/zinc/50/67/31/504506731.db2.gz KAVNPTWEBIZIOP-OAHLLOKOSA-N 1 1 368.437 3.318 20 5 FGBDMO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000532124518 504542344 /nfs/dbraw/zinc/54/23/44/504542344.db2.gz PYUXAVXAPCZALU-OAHLLOKOSA-N 1 1 364.442 3.417 20 5 FGBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000548745033 504549025 /nfs/dbraw/zinc/54/90/25/504549025.db2.gz VBDBQLSFCQCUDA-UHFFFAOYSA-N 1 1 352.410 3.318 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C/C=C/c3ccc(F)cc3F)C2)nc1 ZINC000542702809 504581509 /nfs/dbraw/zinc/58/15/09/504581509.db2.gz VANAWVUFDYPGNB-YLSAJCSVSA-N 1 1 360.364 3.468 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C/C=C/c3ccc(F)cc3F)C2)nc1 ZINC000542702809 504581517 /nfs/dbraw/zinc/58/15/17/504581517.db2.gz VANAWVUFDYPGNB-YLSAJCSVSA-N 1 1 360.364 3.468 20 5 FGBDMO COCC[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000536034213 504613450 /nfs/dbraw/zinc/61/34/50/504613450.db2.gz BLATXJIVAASRMS-SJLPKXTDSA-N 1 1 356.426 3.254 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@]3(CC[C@H](C)C3)C2)c([N+](=O)[O-])c1 ZINC000542881629 504645861 /nfs/dbraw/zinc/64/58/61/504645861.db2.gz KVGJHXIKOONWTE-LIRRHRJNSA-N 1 1 361.442 3.444 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@]3(CC[C@H](C)C3)C2)c([N+](=O)[O-])c1 ZINC000542881629 504645864 /nfs/dbraw/zinc/64/58/64/504645864.db2.gz KVGJHXIKOONWTE-LIRRHRJNSA-N 1 1 361.442 3.444 20 5 FGBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000536208043 504665698 /nfs/dbraw/zinc/66/56/98/504665698.db2.gz DALWWJPBRPEQSQ-KRWDZBQOSA-N 1 1 372.469 3.389 20 5 FGBDMO COCC[N@H+](CCc1ccccc1)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000532501406 504672855 /nfs/dbraw/zinc/67/28/55/504672855.db2.gz LEUSJEHWZIEFDV-UHFFFAOYSA-N 1 1 371.437 3.033 20 5 FGBDMO COCC[N@@H+](CCc1ccccc1)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000532501406 504672860 /nfs/dbraw/zinc/67/28/60/504672860.db2.gz LEUSJEHWZIEFDV-UHFFFAOYSA-N 1 1 371.437 3.033 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000521253988 504694140 /nfs/dbraw/zinc/69/41/40/504694140.db2.gz KZQNPKFNSVOCSY-IJEWVQPXSA-N 1 1 361.442 3.081 20 5 FGBDMO CC[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000546108762 504712090 /nfs/dbraw/zinc/71/20/90/504712090.db2.gz BSZNBBVAGSBRJB-SFHVURJKSA-N 1 1 371.412 3.471 20 5 FGBDMO CC[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000546108762 504712099 /nfs/dbraw/zinc/71/20/99/504712099.db2.gz BSZNBBVAGSBRJB-SFHVURJKSA-N 1 1 371.412 3.471 20 5 FGBDMO COc1cc(N(C)CCC[N@@H+](C)Cc2ccco2)c([N+](=O)[O-])cc1F ZINC000553365712 504895670 /nfs/dbraw/zinc/89/56/70/504895670.db2.gz ZFMCKRXHUBTUBE-UHFFFAOYSA-N 1 1 351.378 3.294 20 5 FGBDMO O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)c1csc([N+](=O)[O-])c1 ZINC000553771981 505004911 /nfs/dbraw/zinc/00/49/11/505004911.db2.gz WPVBHXALDBPLNT-OAHLLOKOSA-N 1 1 351.472 3.431 20 5 FGBDMO Cn1ccnc1[C@@H](NC[C@@H]1[N@@H+](C)CCCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000560536279 505117845 /nfs/dbraw/zinc/11/78/45/505117845.db2.gz JHRIVHCGSBMUBD-ROUUACIJSA-N 1 1 371.485 3.128 20 5 FGBDMO CC1=C(c2ccco2)C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000560975730 505220858 /nfs/dbraw/zinc/22/08/58/505220858.db2.gz RMUXDPLDINKBSW-OAHLLOKOSA-N 1 1 358.394 3.107 20 5 FGBDMO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+](C2CCC2)C1 ZINC000557835762 505241984 /nfs/dbraw/zinc/24/19/84/505241984.db2.gz LPSPKLMWTLTWOV-ZDUSSCGKSA-N 1 1 365.861 3.124 20 5 FGBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc(-c2ccc(F)cc2)no1 ZINC000554842679 505277542 /nfs/dbraw/zinc/27/75/42/505277542.db2.gz BQYJFUMHNVOESQ-UHFFFAOYSA-N 1 1 356.357 3.458 20 5 FGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc(-c2ccc(F)cc2)no1 ZINC000554842679 505277548 /nfs/dbraw/zinc/27/75/48/505277548.db2.gz BQYJFUMHNVOESQ-UHFFFAOYSA-N 1 1 356.357 3.458 20 5 FGBDMO C[C@@H](C(=O)N(C)CCc1ccccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000561332234 505316532 /nfs/dbraw/zinc/31/65/32/505316532.db2.gz KTLSYEKWINFJAK-INIZCTEOSA-N 1 1 367.449 3.043 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccccc1N(C)C ZINC000558171774 505326267 /nfs/dbraw/zinc/32/62/67/505326267.db2.gz DPXOVYSNCBKVNB-CQSZACIVSA-N 1 1 356.426 3.120 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccccc1N(C)C ZINC000558171774 505326271 /nfs/dbraw/zinc/32/62/71/505326271.db2.gz DPXOVYSNCBKVNB-CQSZACIVSA-N 1 1 356.426 3.120 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](c3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000567046333 505347610 /nfs/dbraw/zinc/34/76/10/505347610.db2.gz ZDAYFLRSVLDEME-GDBMZVCRSA-N 1 1 354.410 3.115 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](c3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000567046333 505347612 /nfs/dbraw/zinc/34/76/12/505347612.db2.gz ZDAYFLRSVLDEME-GDBMZVCRSA-N 1 1 354.410 3.115 20 5 FGBDMO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000555380568 505421923 /nfs/dbraw/zinc/42/19/23/505421923.db2.gz WTNRJYUWRBSHMH-CYBMUJFWSA-N 1 1 350.415 3.244 20 5 FGBDMO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000555380568 505421926 /nfs/dbraw/zinc/42/19/26/505421926.db2.gz WTNRJYUWRBSHMH-CYBMUJFWSA-N 1 1 350.415 3.244 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000561762124 505430062 /nfs/dbraw/zinc/43/00/62/505430062.db2.gz PYXLFNQKFXTYAJ-GDZNZVCISA-N 1 1 359.470 3.322 20 5 FGBDMO Cn1ccnc1[C@@H](NC[C@H]1[N@@H+](C)CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000552265362 505445303 /nfs/dbraw/zinc/44/53/03/505445303.db2.gz UXDMNFIZHCLHNQ-MSOLQXFVSA-N 1 1 371.485 3.128 20 5 FGBDMO CC[C@H](c1ccccc1OC)[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000561955911 505477299 /nfs/dbraw/zinc/47/72/99/505477299.db2.gz AHMWWGNJEUDASF-QFBILLFUSA-N 1 1 374.437 3.426 20 5 FGBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000562257217 505554824 /nfs/dbraw/zinc/55/48/24/505554824.db2.gz PZDIOCDGTQQPDC-LLVKDONJSA-N 1 1 359.373 3.046 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593119134 506404782 /nfs/dbraw/zinc/40/47/82/506404782.db2.gz UWTMMGFLIACNND-BMIGLBTASA-N 1 1 350.325 3.437 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593119134 506404786 /nfs/dbraw/zinc/40/47/86/506404786.db2.gz UWTMMGFLIACNND-BMIGLBTASA-N 1 1 350.325 3.437 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000593131842 506412844 /nfs/dbraw/zinc/41/28/44/506412844.db2.gz LRFDOVQUXAKBDD-GOSISDBHSA-N 1 1 368.437 3.294 20 5 FGBDMO 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ZINC000582963375 506511897 /nfs/dbraw/zinc/51/18/97/506511897.db2.gz YSXXOGSVVHXSRD-AWEZNQCLSA-N 1 1 357.410 3.436 20 5 FGBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000589374081 506532575 /nfs/dbraw/zinc/53/25/75/506532575.db2.gz JLGLAJFCNHEGGE-GOSISDBHSA-N 1 1 354.410 3.465 20 5 FGBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000589374081 506532579 /nfs/dbraw/zinc/53/25/79/506532579.db2.gz JLGLAJFCNHEGGE-GOSISDBHSA-N 1 1 354.410 3.465 20 5 FGBDMO C[C@H]1CC(F)(F)CC[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000599624139 506534957 /nfs/dbraw/zinc/53/49/57/506534957.db2.gz RZSDWMZQWRILTH-NSHDSACASA-N 1 1 355.341 3.012 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H]2CCC[C@H]21 ZINC000599656780 506558786 /nfs/dbraw/zinc/55/87/86/506558786.db2.gz IVUVXSBYMMJKSL-KSZLIROESA-N 1 1 362.426 3.027 20 5 FGBDMO O=[N+]([O-])c1ccc(O)cc1CN1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000599661069 506561327 /nfs/dbraw/zinc/56/13/27/506561327.db2.gz UXUOKTYXIBWTSS-UHFFFAOYSA-N 1 1 366.421 3.100 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)c1 ZINC000589496926 506568248 /nfs/dbraw/zinc/56/82/48/506568248.db2.gz ZAJNQWKIWXYUQJ-KRWDZBQOSA-N 1 1 356.378 3.424 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H]2c2ccc(O)cc2)c1 ZINC000589496926 506568255 /nfs/dbraw/zinc/56/82/55/506568255.db2.gz ZAJNQWKIWXYUQJ-KRWDZBQOSA-N 1 1 356.378 3.424 20 5 FGBDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589501704 506570398 /nfs/dbraw/zinc/57/03/98/506570398.db2.gz WJCXJTJCJAZTAW-HUUCEWRRSA-N 1 1 352.456 3.487 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)c1 ZINC000589503598 506572220 /nfs/dbraw/zinc/57/22/20/506572220.db2.gz WRZVKDGZRVSUMM-HZPDHXFCSA-N 1 1 350.440 3.241 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)c1 ZINC000589503598 506572226 /nfs/dbraw/zinc/57/22/26/506572226.db2.gz 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O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccccc2C2CC2)CC1 ZINC000590380594 506807298 /nfs/dbraw/zinc/80/72/98/506807298.db2.gz KBUDIIULHOOCQW-UHFFFAOYSA-N 1 1 365.433 3.430 20 5 FGBDMO COC(=O)[C@@H](C)C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)C1CC1 ZINC000609203567 506813462 /nfs/dbraw/zinc/81/34/62/506813462.db2.gz IMOLCBNSDZRWPH-ZDUSSCGKSA-N 1 1 350.415 3.156 20 5 FGBDMO CC(C)[C@@H](O)[C@H]([NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1 ZINC000597222987 506846366 /nfs/dbraw/zinc/84/63/66/506846366.db2.gz RGBQULBZWHDPBO-WOJBJXKFSA-N 1 1 372.421 3.214 20 5 FGBDMO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000600228455 506859889 /nfs/dbraw/zinc/85/98/89/506859889.db2.gz AVBNCKJEMKPMIH-KRWDZBQOSA-N 1 1 370.453 3.142 20 5 FGBDMO C[C@@H](C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000600231047 506861390 /nfs/dbraw/zinc/86/13/90/506861390.db2.gz ZZWVZSIDPORYEQ-CJNGLKHVSA-N 1 1 363.433 3.361 20 5 FGBDMO COc1cc(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)cc([N+](=O)[O-])c1C ZINC000600230994 506861526 /nfs/dbraw/zinc/86/15/26/506861526.db2.gz XNUUUBJPXQNGNV-INIZCTEOSA-N 1 1 361.442 3.049 20 5 FGBDMO O=[N+]([O-])c1cc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cs1 ZINC000609707661 506980051 /nfs/dbraw/zinc/98/00/51/506980051.db2.gz PEOQMQLJPGSMJT-JSGCOSHPSA-N 1 1 360.357 3.280 20 5 FGBDMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000609767148 506993523 /nfs/dbraw/zinc/99/35/23/506993523.db2.gz QEOSAIXTFJBYLE-CRAIPNDOSA-N 1 1 370.453 3.351 20 5 FGBDMO C[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000609767148 506993528 /nfs/dbraw/zinc/99/35/28/506993528.db2.gz QEOSAIXTFJBYLE-CRAIPNDOSA-N 1 1 370.453 3.351 20 5 FGBDMO C[C@@H]1CN2CCCC[C@@H]2C[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000609767148 506993534 /nfs/dbraw/zinc/99/35/34/506993534.db2.gz QEOSAIXTFJBYLE-CRAIPNDOSA-N 1 1 370.453 3.351 20 5 FGBDMO CC[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CCC(F)(F)F ZINC000609766321 506993573 /nfs/dbraw/zinc/99/35/73/506993573.db2.gz NGYIGESKRHGELI-UHFFFAOYSA-N 1 1 361.320 3.167 20 5 FGBDMO CC(C)(C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1F ZINC000594195092 506999971 /nfs/dbraw/zinc/99/99/71/506999971.db2.gz BXAIJRWNIRFIHI-IRXDYDNUSA-N 1 1 363.433 3.145 20 5 FGBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000609792723 507003097 /nfs/dbraw/zinc/00/30/97/507003097.db2.gz UDXMUZIMCBCQTQ-CYBMUJFWSA-N 1 1 367.877 3.417 20 5 FGBDMO COc1cc(C[NH2+][C@H](Cn2cccn2)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000613381690 507060253 /nfs/dbraw/zinc/06/02/53/507060253.db2.gz VQBUHMJWVTZQTE-QGZVFWFLSA-N 1 1 370.384 3.470 20 5 FGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@H](OCC(F)(F)F)C2)cc1 ZINC000610002319 507068175 /nfs/dbraw/zinc/06/81/75/507068175.db2.gz YFUUKONARSVEHZ-HNNXBMFYSA-N 1 1 362.348 3.407 20 5 FGBDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C2 ZINC000597714152 507071387 /nfs/dbraw/zinc/07/13/87/507071387.db2.gz GUABSQCNCLKOMF-MRXNPFEDSA-N 1 1 371.359 3.172 20 5 FGBDMO O=C(CC[N@@H+]1CCC[C@H]1c1ccc(O)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000591017552 507079280 /nfs/dbraw/zinc/07/92/80/507079280.db2.gz VUPJVKSRFUZWJV-SFHVURJKSA-N 1 1 355.394 3.466 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000597859105 507137096 /nfs/dbraw/zinc/13/70/96/507137096.db2.gz SBBZPPKMIPXJIN-LBPRGKRZSA-N 1 1 371.890 3.329 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000597859180 507137732 /nfs/dbraw/zinc/13/77/32/507137732.db2.gz AOWFQNHVUWXENA-LBPRGKRZSA-N 1 1 353.850 3.027 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000597924394 507178055 /nfs/dbraw/zinc/17/80/55/507178055.db2.gz QOMGWBHTISFYSJ-ZDUSSCGKSA-N 1 1 374.466 3.321 20 5 FGBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000610446423 507243462 /nfs/dbraw/zinc/24/34/62/507243462.db2.gz YMOMRCZTUWGOKJ-INIZCTEOSA-N 1 1 353.422 3.331 20 5 FGBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000610468888 507252169 /nfs/dbraw/zinc/25/21/69/507252169.db2.gz RCMHGFNTMNMMDS-CQSZACIVSA-N 1 1 371.466 3.405 20 5 FGBDMO COc1ccc(CN2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000610543128 507284908 /nfs/dbraw/zinc/28/49/08/507284908.db2.gz MZSPYAJRAFSTQC-GOSISDBHSA-N 1 1 355.438 3.310 20 5 FGBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000584376608 507310343 /nfs/dbraw/zinc/31/03/43/507310343.db2.gz YNWXVCLXISPNKF-OAHLLOKOSA-N 1 1 373.478 3.324 20 5 FGBDMO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000598218542 507322968 /nfs/dbraw/zinc/32/29/68/507322968.db2.gz HPNKERBXHNZCBN-CYBMUJFWSA-N 1 1 356.426 3.213 20 5 FGBDMO Cc1c([C@H](C)[NH2+]Cc2c(Br)cnn2C)cccc1[N+](=O)[O-] ZINC000601291924 507324877 /nfs/dbraw/zinc/32/48/77/507324877.db2.gz KCXHSIQADAACIW-JTQLQIEISA-N 1 1 353.220 3.250 20 5 FGBDMO C[C@H]1C[C@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000601309781 507330036 /nfs/dbraw/zinc/33/00/36/507330036.db2.gz VDNUGHYAWLPAFZ-ZFWWWQNUSA-N 1 1 357.385 3.127 20 5 FGBDMO Cn1ncc(C2CCC2)c1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000594981506 507341397 /nfs/dbraw/zinc/34/13/97/507341397.db2.gz ADBDEYGQIBLJKR-UHFFFAOYSA-N 1 1 366.368 3.487 20 5 FGBDMO Cn1ncc(C2CC2)c1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000594985726 507343459 /nfs/dbraw/zinc/34/34/59/507343459.db2.gz NYJWZIBTYJKPGT-UHFFFAOYSA-N 1 1 352.341 3.097 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000595010418 507351623 /nfs/dbraw/zinc/35/16/23/507351623.db2.gz CGKMQHOGXYMLNA-HNNXBMFYSA-N 1 1 370.453 3.314 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)C(=O)NCCc1ccccc1 ZINC000595050744 507368006 /nfs/dbraw/zinc/36/80/06/507368006.db2.gz KDQCNFPJHBSKMK-GJZGRUSLSA-N 1 1 371.437 3.001 20 5 FGBDMO CCOC(=O)Cc1ccc(NC[C@H]2CC[N@@H+](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC000591921192 507408418 /nfs/dbraw/zinc/40/84/18/507408418.db2.gz NMQVXHQLZAGYJM-MRXNPFEDSA-N 1 1 363.458 3.090 20 5 FGBDMO O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000598507600 507465184 /nfs/dbraw/zinc/46/51/84/507465184.db2.gz CKXYABCWUODGFU-MRXNPFEDSA-N 1 1 364.405 3.080 20 5 FGBDMO O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000598507600 507465188 /nfs/dbraw/zinc/46/51/88/507465188.db2.gz CKXYABCWUODGFU-MRXNPFEDSA-N 1 1 364.405 3.080 20 5 FGBDMO Cc1noc(CN2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000595345114 507465624 /nfs/dbraw/zinc/46/56/24/507465624.db2.gz MWKFKNGUAZEHRU-QZTJIDSGSA-N 1 1 370.453 3.378 20 5 FGBDMO CCc1cc(N2CC[N@H+](CC)[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611084810 507509367 /nfs/dbraw/zinc/50/93/67/507509367.db2.gz WMEQLEOETMNSSN-AWEZNQCLSA-N 1 1 355.442 3.145 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(c2ccccn2)CC1 ZINC000611090400 507512759 /nfs/dbraw/zinc/51/27/59/507512759.db2.gz SRQHQCKFRROCCY-UHFFFAOYSA-N 1 1 354.410 3.116 20 5 FGBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cccc(F)c3OC(F)F)CC2)n1 ZINC000595479556 507520053 /nfs/dbraw/zinc/52/00/53/507520053.db2.gz FCTPAGMVZYUGSJ-UHFFFAOYSA-N 1 1 370.331 3.369 20 5 FGBDMO COC(=O)C[C@@](C)([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000595485132 507524560 /nfs/dbraw/zinc/52/45/60/507524560.db2.gz VPPRLUZZSAWUAU-GOSISDBHSA-N 1 1 364.348 3.441 20 5 FGBDMO C[C@@H]1CC2(C[N@H+]1Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)CCOCC2 ZINC000592181513 507525868 /nfs/dbraw/zinc/52/58/68/507525868.db2.gz GOSNUERCJAUWMJ-CYBMUJFWSA-N 1 1 358.398 3.036 20 5 FGBDMO O=C(C[N@H+]1CCCC12CCCCC2)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000611153921 507538277 /nfs/dbraw/zinc/53/82/77/507538277.db2.gz XNLPVNDOJYDHEU-UHFFFAOYSA-N 1 1 361.398 3.061 20 5 FGBDMO CC(C)n1cc(C2=CCC[N@@H+](CCOc3ccccc3[N+](=O)[O-])CC2)nn1 ZINC000595515215 507540551 /nfs/dbraw/zinc/54/05/51/507540551.db2.gz MHIUJTFFAFGNPB-UHFFFAOYSA-N 1 1 371.441 3.325 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCOCC34CCCC4)o2)c1 ZINC000611194931 507556517 /nfs/dbraw/zinc/55/65/17/507556517.db2.gz FKFBBOKYAUZWMM-UHFFFAOYSA-N 1 1 357.410 3.437 20 5 FGBDMO CC[N@H+](Cc1ccc(OC)cc1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611254972 507583566 /nfs/dbraw/zinc/58/35/66/507583566.db2.gz VNVRNHXQWWIUPG-UHFFFAOYSA-N 1 1 358.394 3.397 20 5 FGBDMO CC[N@@H+](Cc1ccc(OC)cc1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611254972 507583569 /nfs/dbraw/zinc/58/35/69/507583569.db2.gz VNVRNHXQWWIUPG-UHFFFAOYSA-N 1 1 358.394 3.397 20 5 FGBDMO CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611274256 507598977 /nfs/dbraw/zinc/59/89/77/507598977.db2.gz SJGDWYWIJHLPLQ-QGZVFWFLSA-N 1 1 372.421 3.139 20 5 FGBDMO CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611274256 507598983 /nfs/dbraw/zinc/59/89/83/507598983.db2.gz SJGDWYWIJHLPLQ-QGZVFWFLSA-N 1 1 372.421 3.139 20 5 FGBDMO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000595628457 507600652 /nfs/dbraw/zinc/60/06/52/507600652.db2.gz DVEKELODSMPKHQ-OLZOCXBDSA-N 1 1 360.332 3.077 20 5 FGBDMO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000595628457 507600658 /nfs/dbraw/zinc/60/06/58/507600658.db2.gz DVEKELODSMPKHQ-OLZOCXBDSA-N 1 1 360.332 3.077 20 5 FGBDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C12CCC2 ZINC000611286265 507604850 /nfs/dbraw/zinc/60/48/50/507604850.db2.gz WPOTWYQBUXICMH-ROUUACIJSA-N 1 1 362.426 3.146 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000611303436 507613699 /nfs/dbraw/zinc/61/36/99/507613699.db2.gz NGDGIZCNMUGRST-ZIAGYGMSSA-N 1 1 361.442 3.443 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000611303436 507613701 /nfs/dbraw/zinc/61/37/01/507613701.db2.gz NGDGIZCNMUGRST-ZIAGYGMSSA-N 1 1 361.442 3.443 20 5 FGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)cc1 ZINC000595747100 507663402 /nfs/dbraw/zinc/66/34/02/507663402.db2.gz GDVSGEXNWGNEBF-FXAWDEMLSA-N 1 1 356.422 3.072 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](Oc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000595831043 507704747 /nfs/dbraw/zinc/70/47/47/507704747.db2.gz LAOJTOUSOIEUAH-QGZVFWFLSA-N 1 1 369.421 3.385 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000595830471 507704995 /nfs/dbraw/zinc/70/49/95/507704995.db2.gz FEMNZALYGPEKSW-GOSISDBHSA-N 1 1 369.421 3.385 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](N(C)c3ccccc3)C2)c1 ZINC000595829734 507705833 /nfs/dbraw/zinc/70/58/33/507705833.db2.gz YFAGTEAKOKQNTP-GOSISDBHSA-N 1 1 369.421 3.092 20 5 FGBDMO CN(C)c1ncccc1C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602509389 507731543 /nfs/dbraw/zinc/73/15/43/507731543.db2.gz FKUFOKHHIADVKT-UHFFFAOYSA-N 1 1 354.332 3.364 20 5 FGBDMO O=C(C[N@@H+]1CC2CC1(c1ccccc1)C2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595909775 507736842 /nfs/dbraw/zinc/73/68/42/507736842.db2.gz DCWJMXFBCKQNSH-UHFFFAOYSA-N 1 1 363.417 3.105 20 5 FGBDMO O=C(C[N@H+]1CC2CC1(c1ccccc1)C2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595909775 507736848 /nfs/dbraw/zinc/73/68/48/507736848.db2.gz DCWJMXFBCKQNSH-UHFFFAOYSA-N 1 1 363.417 3.105 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]CC1(O)CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000611560951 507740817 /nfs/dbraw/zinc/74/08/17/507740817.db2.gz RDBBMMRDTRZSBA-QGZVFWFLSA-N 1 1 358.442 3.093 20 5 FGBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)Cc1ccccc1 ZINC000110355760 700540750 /nfs/dbraw/zinc/54/07/50/700540750.db2.gz GZZGXOHCLBEOID-CYBMUJFWSA-N 1 1 361.829 3.499 20 5 FGBDMO COC(=O)c1cc([N+](=O)[O-])c(NCCCCn2cc[nH+]c2C)cc1Cl ZINC000127221774 700758995 /nfs/dbraw/zinc/75/89/95/700758995.db2.gz YOCIYTZJUMCVEP-UHFFFAOYSA-N 1 1 366.805 3.432 20 5 FGBDMO Cc1cc(F)cc(C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000176786672 705591101 /nfs/dbraw/zinc/59/11/01/705591101.db2.gz FMXZRGOYBJCCAH-SCRDCRAPSA-N 1 1 351.422 3.139 20 5 FGBDMO C[N@@H+](CCSCc1ccc(C(N)=O)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000193618830 712896968 /nfs/dbraw/zinc/89/69/68/712896968.db2.gz AWIZIERMTFTYPZ-UHFFFAOYSA-N 1 1 359.451 3.059 20 5 FGBDMO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)N1CCC[N@H+](CC(C)C)CC1 ZINC000374371143 713917063 /nfs/dbraw/zinc/91/70/63/713917063.db2.gz IDUHNVSLYOZAKW-UHFFFAOYSA-N 1 1 352.410 3.238 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000524880615 714307992 /nfs/dbraw/zinc/30/79/92/714307992.db2.gz COLWAEQECJUWCY-ZFWWWQNUSA-N 1 1 351.472 3.018 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@](F)(CO)C3)o2)c(Cl)c1 ZINC000619846841 714875028 /nfs/dbraw/zinc/87/50/28/714875028.db2.gz AAQFAIUMIPVIAZ-INIZCTEOSA-N 1 1 354.765 3.415 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@](F)(CO)C3)o2)c(Cl)c1 ZINC000619846841 714875030 /nfs/dbraw/zinc/87/50/30/714875030.db2.gz AAQFAIUMIPVIAZ-INIZCTEOSA-N 1 1 354.765 3.415 20 5 FGBDMO CC[C@@]1(CO)CCC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000779217555 724400227 /nfs/dbraw/zinc/40/02/27/724400227.db2.gz PQXBNEJNHNMJTA-OAHLLOKOSA-N 1 1 357.248 3.342 20 5 FGBDMO CC[C@@]1(CO)CCC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000779217555 724400229 /nfs/dbraw/zinc/40/02/29/724400229.db2.gz PQXBNEJNHNMJTA-OAHLLOKOSA-N 1 1 357.248 3.342 20 5 FGBDMO CCOc1cc(COC(=O)CC[C@H]2CCCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000803858503 724476343 /nfs/dbraw/zinc/47/63/43/724476343.db2.gz PXUDTLDAJURRKC-OAHLLOKOSA-N 1 1 350.415 3.301 20 5 FGBDMO Cc1noc(C2(C)CC[NH+](Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)n1 ZINC000781350787 724555596 /nfs/dbraw/zinc/55/55/96/724555596.db2.gz PZNMQIBYESMYDZ-UHFFFAOYSA-N 1 1 350.806 3.493 20 5 FGBDMO C[C@@H](CNC(=S)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccccc1 ZINC000731942026 722479711 /nfs/dbraw/zinc/47/97/11/722479711.db2.gz DPHYSACZMFPMHJ-AWEZNQCLSA-N 1 1 358.467 3.402 20 5 FGBDMO CCS[C@@H]1CC[C@H]([N@H+](C)Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000743401367 722567050 /nfs/dbraw/zinc/56/70/50/722567050.db2.gz YRPXYVRHODHYMH-VHSXEESVSA-N 1 1 363.281 3.117 20 5 FGBDMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000743401367 722567051 /nfs/dbraw/zinc/56/70/51/722567051.db2.gz YRPXYVRHODHYMH-VHSXEESVSA-N 1 1 363.281 3.117 20 5 FGBDMO CCN(CC)C(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000748815998 722705831 /nfs/dbraw/zinc/70/58/31/722705831.db2.gz NCWUMGCWKIZTFC-MRXNPFEDSA-N 1 1 361.467 3.226 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCS[C@@H]4CCCC[C@@H]43)n2)c1 ZINC000753104992 722885403 /nfs/dbraw/zinc/88/54/03/722885403.db2.gz JWUPCNCQNCIIIW-JKSUJKDBSA-N 1 1 359.455 3.171 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CCS[C@@H]4CCCC[C@@H]43)n2)c1 ZINC000753104992 722885406 /nfs/dbraw/zinc/88/54/06/722885406.db2.gz JWUPCNCQNCIIIW-JKSUJKDBSA-N 1 1 359.455 3.171 20 5 FGBDMO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)OCc1cc([N+](=O)[O-])ccc1Cl ZINC000754507726 722940453 /nfs/dbraw/zinc/94/04/53/722940453.db2.gz DYIZISMYMQZYFA-MRXNPFEDSA-N 1 1 370.833 3.085 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C ZINC000757262468 722975652 /nfs/dbraw/zinc/97/56/52/722975652.db2.gz MPSYEJBWLJJRCB-JSGCOSHPSA-N 1 1 368.865 3.262 20 5 FGBDMO C[C@H](CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000790538043 723151069 /nfs/dbraw/zinc/15/10/69/723151069.db2.gz AVCYFZKXMPXPFP-NWDGAFQWSA-N 1 1 371.840 3.166 20 5 FGBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790704212 723168493 /nfs/dbraw/zinc/16/84/93/723168493.db2.gz CJTMFROXBXJEKU-ZDUSSCGKSA-N 1 1 371.840 3.311 20 5 FGBDMO C[N@H+](CC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@@H]1CCSC1 ZINC000791438894 723243800 /nfs/dbraw/zinc/24/38/00/723243800.db2.gz HPMJLVREMVTWQB-CYBMUJFWSA-N 1 1 351.472 3.268 20 5 FGBDMO C[N@@H+](CC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@@H]1CCSC1 ZINC000791438894 723243802 /nfs/dbraw/zinc/24/38/02/723243802.db2.gz HPMJLVREMVTWQB-CYBMUJFWSA-N 1 1 351.472 3.268 20 5 FGBDMO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000793619039 723455884 /nfs/dbraw/zinc/45/58/84/723455884.db2.gz BPDBGILRFMXEEL-OAHLLOKOSA-N 1 1 355.232 3.360 20 5 FGBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000793619039 723455887 /nfs/dbraw/zinc/45/58/87/723455887.db2.gz BPDBGILRFMXEEL-OAHLLOKOSA-N 1 1 355.232 3.360 20 5 FGBDMO COC(=O)c1cc([N+](=O)[O-])c(N2CCC[N@H+](C(C)(C)C)CC2)cc1Cl ZINC000765487915 723516860 /nfs/dbraw/zinc/51/68/60/723516860.db2.gz IBHFGTXULJRNEZ-UHFFFAOYSA-N 1 1 369.849 3.345 20 5 FGBDMO CCCC[N@@H+](CC)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795407166 723588640 /nfs/dbraw/zinc/58/86/40/723588640.db2.gz AIWGSTLWGXJBLF-UHFFFAOYSA-N 1 1 370.247 3.393 20 5 FGBDMO CC[C@@H]1CCC[N@@H+]1CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795427310 723590485 /nfs/dbraw/zinc/59/04/85/723590485.db2.gz PXCUUMNKYBPUKZ-LLVKDONJSA-N 1 1 368.231 3.145 20 5 FGBDMO CC[C@@H]1CCC[N@H+]1CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795427310 723590488 /nfs/dbraw/zinc/59/04/88/723590488.db2.gz PXCUUMNKYBPUKZ-LLVKDONJSA-N 1 1 368.231 3.145 20 5 FGBDMO CC[C@H]1CC[N@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000795439609 723591433 /nfs/dbraw/zinc/59/14/33/723591433.db2.gz PRLUZYOASSHFGO-JTQLQIEISA-N 1 1 368.231 3.003 20 5 FGBDMO CC[C@H]1CC[N@@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000795439609 723591435 /nfs/dbraw/zinc/59/14/35/723591435.db2.gz PRLUZYOASSHFGO-JTQLQIEISA-N 1 1 368.231 3.003 20 5 FGBDMO CCC1(CC)C[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CCS1 ZINC000767475820 723620516 /nfs/dbraw/zinc/62/05/16/723620516.db2.gz JOGXILUTXUPUDY-UHFFFAOYSA-N 1 1 361.471 3.418 20 5 FGBDMO CCC1(CC)C[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CCS1 ZINC000767475820 723620517 /nfs/dbraw/zinc/62/05/17/723620517.db2.gz JOGXILUTXUPUDY-UHFFFAOYSA-N 1 1 361.471 3.418 20 5 FGBDMO C[C@H]1C[C@@H](N(C)Cc2c(Br)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000769485373 723687076 /nfs/dbraw/zinc/68/70/76/723687076.db2.gz OUJCBCAMPQEAPJ-RYUDHWBXSA-N 1 1 356.264 3.272 20 5 FGBDMO O=C(OCC[NH+]1CCCCC1)c1sc(Br)cc1[N+](=O)[O-] ZINC000773601091 723804995 /nfs/dbraw/zinc/80/49/95/723804995.db2.gz GABNMFFROOHPPP-UHFFFAOYSA-N 1 1 363.233 3.062 20 5 FGBDMO COC1CCC([N@@H+](C)Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 ZINC000774634298 723912447 /nfs/dbraw/zinc/91/24/47/723912447.db2.gz CWADXSWMYQRMQW-UHFFFAOYSA-N 1 1 352.822 3.445 20 5 FGBDMO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CCC[C@@H]4COCC[C@@H]43)c2c(Cl)c1 ZINC000774637534 723912879 /nfs/dbraw/zinc/91/28/79/723912879.db2.gz NYXRYLIHHGTVHC-ABAIWWIYSA-N 1 1 350.806 3.056 20 5 FGBDMO O=[N+]([O-])c1cc2cnn(C[N@H+]3CCC[C@@H]4COCC[C@@H]43)c2c(Cl)c1 ZINC000774637534 723912882 /nfs/dbraw/zinc/91/28/82/723912882.db2.gz NYXRYLIHHGTVHC-ABAIWWIYSA-N 1 1 350.806 3.056 20 5 FGBDMO O=C(CC[N@@H+]1CCC=C(Br)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000799327735 724011272 /nfs/dbraw/zinc/01/12/72/724011272.db2.gz ZFDVDSCCINUZFN-UHFFFAOYSA-N 1 1 372.194 3.047 20 5 FGBDMO O=C(CC[N@H+]1CCC=C(Br)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000799327735 724011273 /nfs/dbraw/zinc/01/12/73/724011273.db2.gz ZFDVDSCCINUZFN-UHFFFAOYSA-N 1 1 372.194 3.047 20 5 FGBDMO C[N@@H+](CCOc1ccccc1Cl)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776273872 724126855 /nfs/dbraw/zinc/12/68/55/724126855.db2.gz DRIRTGCOMGZKLA-INIZCTEOSA-N 1 1 350.802 3.292 20 5 FGBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)cc1 ZINC000776591648 724162852 /nfs/dbraw/zinc/16/28/52/724162852.db2.gz RXAWYMKEUUTRCU-WBVHZDCISA-N 1 1 362.813 3.435 20 5 FGBDMO O=[N+]([O-])c1cc2cnn(C[N@H+]3CCC[C@@H]3C3CCOCC3)c2c(Cl)c1 ZINC000776772896 724181199 /nfs/dbraw/zinc/18/11/99/724181199.db2.gz UCEWNNLMEVWGOS-MRXNPFEDSA-N 1 1 364.833 3.446 20 5 FGBDMO C[C@H]1CC[C@](CO)([N@@H+](C)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000801546977 724312317 /nfs/dbraw/zinc/31/23/17/724312317.db2.gz XQNKLDFDFYCEFA-NHYWBVRUSA-N 1 1 357.248 3.340 20 5 FGBDMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000807692727 725166068 /nfs/dbraw/zinc/16/60/68/725166068.db2.gz ILMMKEWFYMTQKY-UHFFFAOYSA-N 1 1 359.813 3.205 20 5 FGBDMO O=[N+]([O-])c1cc(OC[C@H](O)C[N@H+]2CCc3ccccc3C2)ccc1Cl ZINC000809214784 725234662 /nfs/dbraw/zinc/23/46/62/725234662.db2.gz JJRZWKSVGRPKMM-OAHLLOKOSA-N 1 1 362.813 3.046 20 5 FGBDMO COc1cc([N+](=O)[O-])c(C(=O)O[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1SC ZINC000810849782 725331158 /nfs/dbraw/zinc/33/11/58/725331158.db2.gz HREONSLWWXRSQD-NEPJUHHUSA-N 1 1 366.439 3.109 20 5 FGBDMO CSCCCCC(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171803 726845902 /nfs/dbraw/zinc/84/59/02/726845902.db2.gz BFXZSYWGDZUVBN-INIZCTEOSA-N 1 1 352.456 3.246 20 5 FGBDMO CSCCCCC(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171803 726845908 /nfs/dbraw/zinc/84/59/08/726845908.db2.gz BFXZSYWGDZUVBN-INIZCTEOSA-N 1 1 352.456 3.246 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Cl)[C@@H]1c1ccccc1 ZINC000816956078 727209944 /nfs/dbraw/zinc/20/99/44/727209944.db2.gz WXDYPWZVPJUSIN-YOEHRIQHSA-N 1 1 359.813 3.423 20 5 FGBDMO O=C(O[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000835395785 729885666 /nfs/dbraw/zinc/88/56/66/729885666.db2.gz ITKCWZDUHPCYEZ-VXGBXAGGSA-N 1 1 358.316 3.397 20 5 FGBDMO C[C@@H]1C[N@@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000844643402 730745544 /nfs/dbraw/zinc/74/55/44/730745544.db2.gz QYXLEPQYIPDYFL-OPRDCNLKSA-N 1 1 360.241 3.455 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]Cc1cnc(C2CC2)nc1 ZINC000883288249 737547669 /nfs/dbraw/zinc/54/76/69/737547669.db2.gz XGBKCWFDLICQRZ-UHFFFAOYSA-N 1 1 363.215 3.315 20 5 FGBDMO Cn1c[nH+]cc1CCCN[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000846992597 731003439 /nfs/dbraw/zinc/00/34/39/731003439.db2.gz FEMRTJLASXYGCI-CQSZACIVSA-N 1 1 360.311 3.293 20 5 FGBDMO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CC(NC(=O)OC(C)(C)C)C1 ZINC000852123304 731546054 /nfs/dbraw/zinc/54/60/54/731546054.db2.gz OBIMGXQUDIUNEI-UHFFFAOYSA-N 1 1 353.394 3.221 20 5 FGBDMO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CC(NC(=O)OC(C)(C)C)C1 ZINC000852123304 731546059 /nfs/dbraw/zinc/54/60/59/731546059.db2.gz OBIMGXQUDIUNEI-UHFFFAOYSA-N 1 1 353.394 3.221 20 5 FGBDMO C[N@H+]1CCC[C@]2(CCN(c3cccc(Br)c3[N+](=O)[O-])C2)C1 ZINC000856759919 732055499 /nfs/dbraw/zinc/05/54/99/732055499.db2.gz HGDSDMHUZCFLPA-HNNXBMFYSA-N 1 1 354.248 3.279 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)cc1Cl ZINC000863031717 732906709 /nfs/dbraw/zinc/90/67/09/732906709.db2.gz ITDMODUGSTYJJH-ZDUSSCGKSA-N 1 1 351.834 3.303 20 5 FGBDMO CCCC[N@@H+](C)CC1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865454368 733203895 /nfs/dbraw/zinc/20/38/95/733203895.db2.gz WJFQUXAOMQRJNS-UHFFFAOYSA-N 1 1 353.438 3.175 20 5 FGBDMO Cc1nccnc1[C@H](C)[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000873189627 735735225 /nfs/dbraw/zinc/73/52/25/735735225.db2.gz RVSLLPDLXSIKHU-JTQLQIEISA-N 1 1 351.204 3.307 20 5 FGBDMO CCCC[N@H+](Cc1c(C)ccc([N+](=O)[O-])c1C)[C@H]1CCS(=O)(=O)C1 ZINC000876535847 736110531 /nfs/dbraw/zinc/11/05/31/736110531.db2.gz RDDWLTXJEDYZJS-HNNXBMFYSA-N 1 1 354.472 3.001 20 5 FGBDMO CCCC[N@@H+](Cc1c(C)ccc([N+](=O)[O-])c1C)[C@H]1CCS(=O)(=O)C1 ZINC000876535847 736110534 /nfs/dbraw/zinc/11/05/34/736110534.db2.gz RDDWLTXJEDYZJS-HNNXBMFYSA-N 1 1 354.472 3.001 20 5 FGBDMO CO[C@H](C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C(F)(F)F ZINC000877027840 736177360 /nfs/dbraw/zinc/17/73/60/736177360.db2.gz QVZMAGKUCRGEQM-SSDOTTSWSA-N 1 1 363.155 3.086 20 5 FGBDMO C[C@@H]1CSCC[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878508682 736856669 /nfs/dbraw/zinc/85/66/69/736856669.db2.gz WNSLBULIVLEPLN-JTQLQIEISA-N 1 1 368.846 3.483 20 5 FGBDMO C[C@@H]1CSCC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878508682 736856670 /nfs/dbraw/zinc/85/66/70/736856670.db2.gz WNSLBULIVLEPLN-JTQLQIEISA-N 1 1 368.846 3.483 20 5 FGBDMO CC[C@@H]1C[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CCCO1 ZINC000878554064 736886649 /nfs/dbraw/zinc/88/66/49/736886649.db2.gz XAAJGJHXOJLFHJ-GFCCVEGCSA-N 1 1 366.805 3.299 20 5 FGBDMO CC[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CCCO1 ZINC000878554064 736886651 /nfs/dbraw/zinc/88/66/51/736886651.db2.gz XAAJGJHXOJLFHJ-GFCCVEGCSA-N 1 1 366.805 3.299 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)o1 ZINC000878811648 736921013 /nfs/dbraw/zinc/92/10/13/736921013.db2.gz MIFKNKUVBOFVCK-HNNXBMFYSA-N 1 1 350.325 3.266 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)o1 ZINC000878811648 736921016 /nfs/dbraw/zinc/92/10/16/736921016.db2.gz MIFKNKUVBOFVCK-HNNXBMFYSA-N 1 1 350.325 3.266 20 5 FGBDMO C[C@@](CO)([NH2+]Cc1cc(Cl)nc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000879272812 736975151 /nfs/dbraw/zinc/97/51/51/736975151.db2.gz FDHFBYHHQQCDNZ-HNNXBMFYSA-N 1 1 356.209 3.294 20 5 FGBDMO COc1ccccc1[C@@H]1CSCCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000880176557 737131604 /nfs/dbraw/zinc/13/16/04/737131604.db2.gz IHKIVRJRHLKMAN-HNNXBMFYSA-N 1 1 362.455 3.017 20 5 FGBDMO COc1ccccc1[C@@H]1CSCCC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000880176557 737131607 /nfs/dbraw/zinc/13/16/07/737131607.db2.gz IHKIVRJRHLKMAN-HNNXBMFYSA-N 1 1 362.455 3.017 20 5 FGBDMO O=[N+]([O-])c1ncccc1C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000886118679 739220506 /nfs/dbraw/zinc/22/05/06/739220506.db2.gz NIKZRQQNKRXLJW-UHFFFAOYSA-N 1 1 355.320 3.042 20 5 FGBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000888288567 739497332 /nfs/dbraw/zinc/49/73/32/739497332.db2.gz QMVFIPPSQTVZNT-NEPJUHHUSA-N 1 1 352.822 3.305 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cnc(CC(F)(F)F)s1 ZINC000892939777 740060560 /nfs/dbraw/zinc/06/05/60/740060560.db2.gz VUTDAAKKKVULRU-UHFFFAOYSA-N 1 1 361.345 3.455 20 5 FGBDMO COc1c(O)ccc(C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)c1[N+](=O)[O-] ZINC000896224376 742516542 /nfs/dbraw/zinc/51/65/42/742516542.db2.gz FQUOPXCYTUCCRB-ZDUSSCGKSA-N 1 1 364.295 3.175 20 5 FGBDMO COc1c(O)ccc(C[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)c1[N+](=O)[O-] ZINC000896224376 742516548 /nfs/dbraw/zinc/51/65/48/742516548.db2.gz FQUOPXCYTUCCRB-ZDUSSCGKSA-N 1 1 364.295 3.175 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC3(CCOCC3)CC[C@@H]2CO)cc1Cl ZINC000897175450 742652081 /nfs/dbraw/zinc/65/20/81/742652081.db2.gz CXXDYJUCGXSXAW-CQSZACIVSA-N 1 1 354.834 3.002 20 5 FGBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000897227061 742656032 /nfs/dbraw/zinc/65/60/32/742656032.db2.gz AKHJQXGCWXPMEN-CQSZACIVSA-N 1 1 374.268 3.245 20 5 FGBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000897227061 742656035 /nfs/dbraw/zinc/65/60/35/742656035.db2.gz AKHJQXGCWXPMEN-CQSZACIVSA-N 1 1 374.268 3.245 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CNCCC1(F)F ZINC000903958362 743905394 /nfs/dbraw/zinc/90/53/94/743905394.db2.gz YOEWSGUGYJKULR-NUEKZKHPSA-N 1 1 353.413 3.140 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)OCC[C@H]2CCCC[N@@H+]2C)c1 ZINC000915440317 757935238 /nfs/dbraw/zinc/93/52/38/757935238.db2.gz ZBVFVNLFROJZFK-OAHLLOKOSA-N 1 1 350.415 3.090 20 5 FGBDMO C[N@@H+](Cn1cc(Br)c([N+](=O)[O-])n1)C1C2CC3CC(C2)CC1C3 ZINC000917615886 758250196 /nfs/dbraw/zinc/25/01/96/758250196.db2.gz WVQBAENTDIOXLL-UHFFFAOYSA-N 1 1 369.263 3.268 20 5 FGBDMO CC[N@H+](CCc1ccccn1)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000920256810 758527565 /nfs/dbraw/zinc/52/75/65/758527565.db2.gz YLYWEIDMMTVRMW-UHFFFAOYSA-N 1 1 362.817 3.146 20 5 FGBDMO CC[N@@H+](CCc1ccccn1)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000920256810 758527568 /nfs/dbraw/zinc/52/75/68/758527568.db2.gz YLYWEIDMMTVRMW-UHFFFAOYSA-N 1 1 362.817 3.146 20 5 FGBDMO C[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000928554108 760212209 /nfs/dbraw/zinc/21/22/09/760212209.db2.gz FNXUQYFZIWKSBT-ZDUSSCGKSA-N 1 1 357.435 3.180 20 5 FGBDMO C[N@H+]1CC[C@H]1CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000928554108 760212218 /nfs/dbraw/zinc/21/22/18/760212218.db2.gz FNXUQYFZIWKSBT-ZDUSSCGKSA-N 1 1 357.435 3.180 20 5 FGBDMO Cn1ccnc1[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000930092754 760529403 /nfs/dbraw/zinc/52/94/03/760529403.db2.gz DGRHEBPJUJWVQP-LLVKDONJSA-N 1 1 365.231 3.080 20 5 FGBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000933947399 761508007 /nfs/dbraw/zinc/50/80/07/761508007.db2.gz WHLHSRBSEFYXOP-AWEZNQCLSA-N 1 1 363.483 3.121 20 5 FGBDMO C[C@](CO)([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000934496233 761637837 /nfs/dbraw/zinc/63/78/37/761637837.db2.gz TZHDJPCTERSCKD-MRXNPFEDSA-N 1 1 365.227 3.355 20 5 FGBDMO COC(=O)c1cc([N+](=O)[O-])c(NCc2c[nH+]c3n2CCCC3)cc1Cl ZINC000376485798 257475949 /nfs/dbraw/zinc/47/59/49/257475949.db2.gz PNMGUKQXCBRYSW-UHFFFAOYSA-N 1 1 364.789 3.180 20 5 FGBDMO CCc1nc(C[NH+]2CCC(CNc3ccc([N+](=O)[O-])nc3)CC2)cs1 ZINC000576785848 505593749 /nfs/dbraw/zinc/59/37/49/505593749.db2.gz KWXSMPKZDRRWRJ-UHFFFAOYSA-N 1 1 361.471 3.333 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000580114197 505679941 /nfs/dbraw/zinc/67/99/41/505679941.db2.gz MHAJPUHSHAPRDX-DNVCBOLYSA-N 1 1 353.422 3.296 20 5 FGBDMO CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1(C)C ZINC000076152232 493833113 /nfs/dbraw/zinc/83/31/13/493833113.db2.gz VQEPPQGNVLAWJO-CRAIPNDOSA-N 1 1 350.415 3.097 20 5 FGBDMO CC(C)(C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000081289997 493861058 /nfs/dbraw/zinc/86/10/58/493861058.db2.gz STPWWJKRGFELHR-QGZVFWFLSA-N 1 1 359.470 3.253 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](Nc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000060369965 493927905 /nfs/dbraw/zinc/92/79/05/493927905.db2.gz AEDPTIQFPGTHJY-QGZVFWFLSA-N 1 1 368.437 3.418 20 5 FGBDMO Cc1cccc(NC(=O)C[N@H+](C)CCOc2ccccc2[N+](=O)[O-])c1C ZINC000051537888 493974602 /nfs/dbraw/zinc/97/46/02/493974602.db2.gz RIRDLTLBMCZMTQ-UHFFFAOYSA-N 1 1 357.410 3.161 20 5 FGBDMO Cc1cccc(NC(=O)C[N@@H+](C)CCOc2ccccc2[N+](=O)[O-])c1C ZINC000051537888 493974603 /nfs/dbraw/zinc/97/46/03/493974603.db2.gz RIRDLTLBMCZMTQ-UHFFFAOYSA-N 1 1 357.410 3.161 20 5 FGBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000076925965 493990305 /nfs/dbraw/zinc/99/03/05/493990305.db2.gz KNPSKPRCQCVWOB-STQMWFEESA-N 1 1 362.455 3.033 20 5 FGBDMO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000076953470 493995161 /nfs/dbraw/zinc/99/51/61/493995161.db2.gz XIHCQYGVNCTTOL-INIZCTEOSA-N 1 1 368.437 3.011 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000076953470 493995167 /nfs/dbraw/zinc/99/51/67/493995167.db2.gz XIHCQYGVNCTTOL-INIZCTEOSA-N 1 1 368.437 3.011 20 5 FGBDMO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083169285 494001308 /nfs/dbraw/zinc/00/13/08/494001308.db2.gz GMTOGCVIOIOTMH-KGLIPLIRSA-N 1 1 374.441 3.253 20 5 FGBDMO CC(C)CCO[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000083248203 494013846 /nfs/dbraw/zinc/01/38/46/494013846.db2.gz MDALYYJRLPJNPQ-QGZVFWFLSA-N 1 1 350.415 3.098 20 5 FGBDMO CC(C)CCO[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000083248203 494013853 /nfs/dbraw/zinc/01/38/53/494013853.db2.gz MDALYYJRLPJNPQ-QGZVFWFLSA-N 1 1 350.415 3.098 20 5 FGBDMO O=[N+]([O-])c1sccc1NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000063258379 494036722 /nfs/dbraw/zinc/03/67/22/494036722.db2.gz QYEZXSDRDUTXSC-UHFFFAOYSA-N 1 1 360.483 3.276 20 5 FGBDMO CCN1CCC([N@@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000077248581 494042191 /nfs/dbraw/zinc/04/21/91/494042191.db2.gz GOSCQVQQGTVBEG-UHFFFAOYSA-N 1 1 358.442 3.208 20 5 FGBDMO CC[NH+]1CCC(N(C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000077248581 494042193 /nfs/dbraw/zinc/04/21/93/494042193.db2.gz GOSCQVQQGTVBEG-UHFFFAOYSA-N 1 1 358.442 3.208 20 5 FGBDMO COc1ccc(NC(=O)CC[N@@H+](C)CCCc2ccccc2)c([N+](=O)[O-])c1 ZINC000052802802 494063020 /nfs/dbraw/zinc/06/30/20/494063020.db2.gz OEJZXZIPQQSSSU-UHFFFAOYSA-N 1 1 371.437 3.497 20 5 FGBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c1 ZINC000070894044 494066102 /nfs/dbraw/zinc/06/61/02/494066102.db2.gz RJTGEEXXUHEYKC-UHFFFAOYSA-N 1 1 366.421 3.458 20 5 FGBDMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000052894908 494073338 /nfs/dbraw/zinc/07/33/38/494073338.db2.gz QJZVXHCKRHLSSY-OAHLLOKOSA-N 1 1 364.405 3.080 20 5 FGBDMO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000008241777 494078407 /nfs/dbraw/zinc/07/84/07/494078407.db2.gz ZYHFAJXFDUYQFQ-JTQLQIEISA-N 1 1 365.336 3.171 20 5 FGBDMO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)C[C@H]1COc2ccccc2O1 ZINC000037117539 494101939 /nfs/dbraw/zinc/10/19/39/494101939.db2.gz WWWRROSGNSZZJU-INIZCTEOSA-N 1 1 358.394 3.265 20 5 FGBDMO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)C[C@H]1COc2ccccc2O1 ZINC000037117539 494101940 /nfs/dbraw/zinc/10/19/40/494101940.db2.gz WWWRROSGNSZZJU-INIZCTEOSA-N 1 1 358.394 3.265 20 5 FGBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000064226992 494107012 /nfs/dbraw/zinc/10/70/12/494107012.db2.gz HSOOCPICASSIGL-UHFFFAOYSA-N 1 1 370.453 3.088 20 5 FGBDMO Cc1cc(NC(=O)CC[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)no1 ZINC000053897132 494174280 /nfs/dbraw/zinc/17/42/80/494174280.db2.gz UMXSXRXGZDDFTB-UHFFFAOYSA-N 1 1 352.778 3.005 20 5 FGBDMO Cc1cc(NC(=O)CC[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)no1 ZINC000053897132 494174281 /nfs/dbraw/zinc/17/42/81/494174281.db2.gz UMXSXRXGZDDFTB-UHFFFAOYSA-N 1 1 352.778 3.005 20 5 FGBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000065141020 494175591 /nfs/dbraw/zinc/17/55/91/494175591.db2.gz PJGXJJQMFLPVBI-UKRRQHHQSA-N 1 1 357.385 3.299 20 5 FGBDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087275502 494190107 /nfs/dbraw/zinc/19/01/07/494190107.db2.gz ATAVOFDSGJEWID-QGZVFWFLSA-N 1 1 367.449 3.260 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087275502 494190112 /nfs/dbraw/zinc/19/01/12/494190112.db2.gz ATAVOFDSGJEWID-QGZVFWFLSA-N 1 1 367.449 3.260 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000054148706 494200521 /nfs/dbraw/zinc/20/05/21/494200521.db2.gz AUJXNLPCBGINIE-UHFFFAOYSA-N 1 1 357.385 3.082 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000087404450 494201143 /nfs/dbraw/zinc/20/11/43/494201143.db2.gz WQNMDINXSIUSJD-HXUWFJFHSA-N 1 1 367.449 3.260 20 5 FGBDMO CCOC(=O)c1ccnc(NCCCC[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000077929004 494202183 /nfs/dbraw/zinc/20/21/83/494202183.db2.gz FZVPOPXEAOACQT-AWEZNQCLSA-N 1 1 364.446 3.233 20 5 FGBDMO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000042184631 494207678 /nfs/dbraw/zinc/20/76/78/494207678.db2.gz NSYIOWIKWOPWBA-QWHCGFSZSA-N 1 1 373.409 3.290 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072719015 494239256 /nfs/dbraw/zinc/23/92/56/494239256.db2.gz VVXAFRMWPYEQAZ-QGZVFWFLSA-N 1 1 374.485 3.040 20 5 FGBDMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3ccccc3[N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000078152600 494243818 /nfs/dbraw/zinc/24/38/18/494243818.db2.gz LHOAHGRIOLBGTC-HUUCEWRRSA-N 1 1 369.421 3.456 20 5 FGBDMO O=C(C[N@@H+]1CC[C@@H](COCc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000072760719 494245477 /nfs/dbraw/zinc/24/54/77/494245477.db2.gz CIGWACXETGGWBK-QGZVFWFLSA-N 1 1 369.421 3.072 20 5 FGBDMO O=C(C[N@H+]1CC[C@@H](COCc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000072760719 494245481 /nfs/dbraw/zinc/24/54/81/494245481.db2.gz CIGWACXETGGWBK-QGZVFWFLSA-N 1 1 369.421 3.072 20 5 FGBDMO O=C(CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)Nc1cc(F)cc(F)c1 ZINC000088608099 494252750 /nfs/dbraw/zinc/25/27/50/494252750.db2.gz ROFWLJZRYADOGK-UHFFFAOYSA-N 1 1 361.348 3.260 20 5 FGBDMO O=C(CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)Nc1cc(F)cc(F)c1 ZINC000088608099 494252756 /nfs/dbraw/zinc/25/27/56/494252756.db2.gz ROFWLJZRYADOGK-UHFFFAOYSA-N 1 1 361.348 3.260 20 5 FGBDMO C[N@H+](CCc1cccs1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000072800724 494253256 /nfs/dbraw/zinc/25/32/56/494253256.db2.gz CGILFBWLNCNPOF-UHFFFAOYSA-N 1 1 353.831 3.423 20 5 FGBDMO C[N@@H+](CCc1cccs1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000072800724 494253260 /nfs/dbraw/zinc/25/32/60/494253260.db2.gz CGILFBWLNCNPOF-UHFFFAOYSA-N 1 1 353.831 3.423 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)c1 ZINC000088699908 494256952 /nfs/dbraw/zinc/25/69/52/494256952.db2.gz ZDEMTTUZRRVYTN-UHFFFAOYSA-N 1 1 368.437 3.418 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCS[C@H](C(C)C)C1 ZINC000072836711 494261705 /nfs/dbraw/zinc/26/17/05/494261705.db2.gz KFBWTYHWWWHJHO-INIZCTEOSA-N 1 1 367.471 3.005 20 5 FGBDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000072837336 494262247 /nfs/dbraw/zinc/26/22/47/494262247.db2.gz YIVUYIANLDZXFK-UKRRQHHQSA-N 1 1 351.472 3.448 20 5 FGBDMO CC[C@@](C)([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1nc(C)cs1 ZINC000072863858 494270530 /nfs/dbraw/zinc/27/05/30/494270530.db2.gz VJXOPUAQQPGPKP-QGZVFWFLSA-N 1 1 362.455 3.238 20 5 FGBDMO CCOc1ccc([C@@H](C)[NH2+]Cc2c(CC)nn(C)c2OC)cc1[N+](=O)[O-] ZINC000089212361 494273994 /nfs/dbraw/zinc/27/39/94/494273994.db2.gz DGUHYEHFGMZNDR-GFCCVEGCSA-N 1 1 362.430 3.149 20 5 FGBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000066202916 494288657 /nfs/dbraw/zinc/28/86/57/494288657.db2.gz MOGPDHOVMYTCDF-JTQLQIEISA-N 1 1 360.361 3.048 20 5 FGBDMO CCOc1cc(NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000089644038 494338345 /nfs/dbraw/zinc/33/83/45/494338345.db2.gz CVKCEVRRBIITEE-MSOLQXFVSA-N 1 1 371.437 3.041 20 5 FGBDMO Cc1ccccc1OCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000015099262 494338866 /nfs/dbraw/zinc/33/88/66/494338866.db2.gz NUJINDNWWADFCK-HNNXBMFYSA-N 1 1 357.410 3.241 20 5 FGBDMO Cc1ccccc1OCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000015099262 494338869 /nfs/dbraw/zinc/33/88/69/494338869.db2.gz NUJINDNWWADFCK-HNNXBMFYSA-N 1 1 357.410 3.241 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCOc1ccc(F)cc1 ZINC000015101514 494339087 /nfs/dbraw/zinc/33/90/87/494339087.db2.gz BYBLZQMURZQHCE-CYBMUJFWSA-N 1 1 361.373 3.072 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCOc1ccc(F)cc1 ZINC000015101514 494339091 /nfs/dbraw/zinc/33/90/91/494339091.db2.gz BYBLZQMURZQHCE-CYBMUJFWSA-N 1 1 361.373 3.072 20 5 FGBDMO CCN1CC[NH+](CCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000078745030 494355097 /nfs/dbraw/zinc/35/50/97/494355097.db2.gz MJBJWTWGJDNKPL-UHFFFAOYSA-N 1 1 360.380 3.053 20 5 FGBDMO C[N@@H+](CCC(N)=O)Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000571365463 505715505 /nfs/dbraw/zinc/71/55/05/505715505.db2.gz NACGIAGMGIJJAG-UHFFFAOYSA-N 1 1 363.801 3.348 20 5 FGBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000015567014 494359863 /nfs/dbraw/zinc/35/98/63/494359863.db2.gz IHIXVXOYXLEJGV-MRXNPFEDSA-N 1 1 371.462 3.078 20 5 FGBDMO C[C@H](C[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000066853760 494426782 /nfs/dbraw/zinc/42/67/82/494426782.db2.gz BVVSTOQKZRBSNW-OAHLLOKOSA-N 1 1 353.422 3.219 20 5 FGBDMO C[C@H]1CCC[N@@H+](CCNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000079561685 494482838 /nfs/dbraw/zinc/48/28/38/494482838.db2.gz LCYKQGADPCPTCL-NSHDSACASA-N 1 1 359.348 3.075 20 5 FGBDMO C[C@H]1C[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000079686373 494507809 /nfs/dbraw/zinc/50/78/09/494507809.db2.gz PHKZLDRRGZRNCA-RDJZCZTQSA-N 1 1 353.422 3.378 20 5 FGBDMO C[NH+](C)[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000046642415 494547048 /nfs/dbraw/zinc/54/70/48/494547048.db2.gz UYTYOMSZPMZZED-KRWDZBQOSA-N 1 1 361.829 3.210 20 5 FGBDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000046714416 494555506 /nfs/dbraw/zinc/55/55/06/494555506.db2.gz YXPICZOMDIBYLM-CQSZACIVSA-N 1 1 357.410 3.350 20 5 FGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@H](c3nncn3C3CC3)C2)cc1 ZINC000091631534 494635533 /nfs/dbraw/zinc/63/55/33/494635533.db2.gz AMPBUTGGVTVXCW-OAHLLOKOSA-N 1 1 371.441 3.170 20 5 FGBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H](O)COCc1ccccc1 ZINC000092472121 494637851 /nfs/dbraw/zinc/63/78/51/494637851.db2.gz AAAGVJCAPIQAQY-BQHJZSHBSA-N 1 1 356.422 3.118 20 5 FGBDMO C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000057175744 494666863 /nfs/dbraw/zinc/66/68/63/494666863.db2.gz GETIMGUWLAQWCJ-BEFAXECRSA-N 1 1 353.422 3.437 20 5 FGBDMO O=C(NCc1ccccc1)C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000047265037 494668625 /nfs/dbraw/zinc/66/86/25/494668625.db2.gz URVOHVOECNJUFT-UHFFFAOYSA-N 1 1 359.451 3.185 20 5 FGBDMO Cc1cc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000075061556 494680796 /nfs/dbraw/zinc/68/07/96/494680796.db2.gz DTZZUIJAJLKFPP-WBVHZDCISA-N 1 1 353.426 3.033 20 5 FGBDMO CCCO[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000108391408 494695119 /nfs/dbraw/zinc/69/51/19/494695119.db2.gz YEJNYVQNVBHAKR-AWEZNQCLSA-N 1 1 369.849 3.468 20 5 FGBDMO CCCO[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000108391408 494695123 /nfs/dbraw/zinc/69/51/23/494695123.db2.gz YEJNYVQNVBHAKR-AWEZNQCLSA-N 1 1 369.849 3.468 20 5 FGBDMO C[C@@H]1C[C@H](CNC(=O)c2ccccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000131703215 494703741 /nfs/dbraw/zinc/70/37/41/494703741.db2.gz MYRXAYHQGTUKKL-NVXWUHKLSA-N 1 1 353.422 3.235 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC000025308637 494721651 /nfs/dbraw/zinc/72/16/51/494721651.db2.gz SKEAIBULBUQXFB-IEBWSBKVSA-N 1 1 360.385 3.311 20 5 FGBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000580354519 505739061 /nfs/dbraw/zinc/73/90/61/505739061.db2.gz HYRDZWLABUJQAL-ZDUSSCGKSA-N 1 1 361.421 3.142 20 5 FGBDMO C[C@H]1C[NH+](Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)C[C@H](C)O1 ZINC000121441007 494757790 /nfs/dbraw/zinc/75/77/90/494757790.db2.gz STBDFMUQGWBIEJ-GJZGRUSLSA-N 1 1 369.421 3.456 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@H](Cn3ccnn3)C2)o1 ZINC000092070192 494777830 /nfs/dbraw/zinc/77/78/30/494777830.db2.gz NJVJLXJVSVJKNQ-HNNXBMFYSA-N 1 1 367.409 3.359 20 5 FGBDMO C[C@H]1C[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)C[N@H+]1Cc1ccccc1 ZINC000132043764 494805239 /nfs/dbraw/zinc/80/52/39/494805239.db2.gz IHCLQMHGGQXTLK-QFBILLFUSA-N 1 1 367.449 3.164 20 5 FGBDMO COc1cccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000026175744 494805862 /nfs/dbraw/zinc/80/58/62/494805862.db2.gz YKAOGIKKMSLPST-AWEZNQCLSA-N 1 1 357.410 3.371 20 5 FGBDMO COc1cccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000026175744 494805867 /nfs/dbraw/zinc/80/58/67/494805867.db2.gz YKAOGIKKMSLPST-AWEZNQCLSA-N 1 1 357.410 3.371 20 5 FGBDMO CC(C)c1ccc(C[N@H+]2CCC[C@H](CN3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000093017669 494809867 /nfs/dbraw/zinc/80/98/67/494809867.db2.gz CNRNWHPYSQSHEJ-GOSISDBHSA-N 1 1 361.486 3.262 20 5 FGBDMO CC(C)c1ccc(CN2CCC[C@H](C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000093017669 494809874 /nfs/dbraw/zinc/80/98/74/494809874.db2.gz CNRNWHPYSQSHEJ-GOSISDBHSA-N 1 1 361.486 3.262 20 5 FGBDMO COc1ccc(C[N@@H+](C)CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000026221419 494810441 /nfs/dbraw/zinc/81/04/41/494810441.db2.gz FBLHCCPSIJXLTC-UHFFFAOYSA-N 1 1 373.409 3.073 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(n2cccn2)CC1 ZINC000109007801 494821508 /nfs/dbraw/zinc/82/15/08/494821508.db2.gz QOSVZFFCWUICQI-CYBMUJFWSA-N 1 1 368.397 3.239 20 5 FGBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000109403612 494868761 /nfs/dbraw/zinc/86/87/61/494868761.db2.gz JCQHYVDIOQDTJG-CQSZACIVSA-N 1 1 360.458 3.019 20 5 FGBDMO Cc1cccc(N2CCC(NC(=O)Nc3cccc([N+](=O)[O-])c3)CC2)[nH+]1 ZINC000116930249 494871561 /nfs/dbraw/zinc/87/15/61/494871561.db2.gz DAIIRXCUHYXQBY-UHFFFAOYSA-N 1 1 355.398 3.089 20 5 FGBDMO Cc1cc(C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)cc([N+](=O)[O-])c1 ZINC000121991044 494904870 /nfs/dbraw/zinc/90/48/70/494904870.db2.gz KBEMDBYHQHXNQS-ZDUSSCGKSA-N 1 1 359.451 3.141 20 5 FGBDMO Cc1cc(C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)cc([N+](=O)[O-])c1 ZINC000121991044 494904876 /nfs/dbraw/zinc/90/48/76/494904876.db2.gz KBEMDBYHQHXNQS-ZDUSSCGKSA-N 1 1 359.451 3.141 20 5 FGBDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)CNc2ccccc2[N+](=O)[O-])c1 ZINC000110019891 494940760 /nfs/dbraw/zinc/94/07/60/494940760.db2.gz XGRZLWZWECHTOS-UHFFFAOYSA-N 1 1 370.453 3.163 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@H]3CCCC[C@H]3n3cccn3)n2)c1 ZINC000127824739 495004494 /nfs/dbraw/zinc/00/44/94/495004494.db2.gz CQKMMVUWBAIUHR-JKSUJKDBSA-N 1 1 368.397 3.115 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000134717212 495191304 /nfs/dbraw/zinc/19/13/04/495191304.db2.gz XIPRWBJEMLEIQR-INIZCTEOSA-N 1 1 374.485 3.181 20 5 FGBDMO COc1ccc(C[N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1C ZINC000103145473 495199488 /nfs/dbraw/zinc/19/94/88/495199488.db2.gz BLJRMCKLZZMKJN-UHFFFAOYSA-N 1 1 357.410 3.372 20 5 FGBDMO O=C(C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1)N1CCc2ccccc21 ZINC000129297638 495225203 /nfs/dbraw/zinc/22/52/03/495225203.db2.gz JJGWZMSQKLJDDL-UHFFFAOYSA-N 1 1 371.462 3.458 20 5 FGBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000124312974 495268557 /nfs/dbraw/zinc/26/85/57/495268557.db2.gz LBHLKIHOWLEPMU-INIZCTEOSA-N 1 1 369.421 3.107 20 5 FGBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000124312974 495268561 /nfs/dbraw/zinc/26/85/61/495268561.db2.gz LBHLKIHOWLEPMU-INIZCTEOSA-N 1 1 369.421 3.107 20 5 FGBDMO CC(C)[N@@H+]1CCC[C@@H](CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000105456653 495365718 /nfs/dbraw/zinc/36/57/18/495365718.db2.gz XCKZTBCXKSUIMH-INIZCTEOSA-N 1 1 371.485 3.205 20 5 FGBDMO CC(C)[N@H+]1CCC[C@@H](CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000105456653 495365719 /nfs/dbraw/zinc/36/57/19/495365719.db2.gz XCKZTBCXKSUIMH-INIZCTEOSA-N 1 1 371.485 3.205 20 5 FGBDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Cc1c[nH]c3ccc([N+](=O)[O-])cc13)C2 ZINC000137146568 495426090 /nfs/dbraw/zinc/42/60/90/495426090.db2.gz XJGFXHRHYCHGLP-DOTOQJQBSA-N 1 1 370.453 3.092 20 5 FGBDMO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C[N@H+]1Cc1ccccc1 ZINC000137520241 495443698 /nfs/dbraw/zinc/44/36/98/495443698.db2.gz VBLFXFWJOUNVAJ-HIFRSBDPSA-N 1 1 357.385 3.127 20 5 FGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000139822303 495483371 /nfs/dbraw/zinc/48/33/71/495483371.db2.gz RGXLBYSZGOYWOS-YSVLISHTSA-N 1 1 371.441 3.122 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C1Cc2ccccc2C1 ZINC000141181060 495503360 /nfs/dbraw/zinc/50/33/60/495503360.db2.gz HHWSYHXDXOSERR-UHFFFAOYSA-N 1 1 369.421 3.031 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000115552235 495515211 /nfs/dbraw/zinc/51/52/11/495515211.db2.gz UDSLLWFHZVJBID-ZBFHGGJFSA-N 1 1 369.421 3.420 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000115552235 495515215 /nfs/dbraw/zinc/51/52/15/495515215.db2.gz UDSLLWFHZVJBID-ZBFHGGJFSA-N 1 1 369.421 3.420 20 5 FGBDMO COc1cc(C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C2CC2)ccc1O ZINC000179375607 495566892 /nfs/dbraw/zinc/56/68/92/495566892.db2.gz ZVEUXVAYIPSJTC-SFHVURJKSA-N 1 1 358.394 3.007 20 5 FGBDMO C[C@H](O)C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000170691623 495568313 /nfs/dbraw/zinc/56/83/13/495568313.db2.gz CHCLVVHPCPAVGQ-LBPRGKRZSA-N 1 1 369.849 3.202 20 5 FGBDMO Cc1cc(C(=O)NCCC[N@H+]2CCc3ccccc3C2)cc([N+](=O)[O-])c1 ZINC000147767668 495578211 /nfs/dbraw/zinc/57/82/11/495578211.db2.gz ICZUSVVFOLURAY-UHFFFAOYSA-N 1 1 353.422 3.081 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000158839043 495598448 /nfs/dbraw/zinc/59/84/48/495598448.db2.gz MRUSYKSWRCKIBW-OAHLLOKOSA-N 1 1 370.453 3.241 20 5 FGBDMO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154395266 495603204 /nfs/dbraw/zinc/60/32/04/495603204.db2.gz ZIMBZJCUKIZANL-QXNLKSCPSA-N 1 1 362.451 3.059 20 5 FGBDMO C[C@@H](CCNC(=O)Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccccc1 ZINC000173598316 495605899 /nfs/dbraw/zinc/60/58/99/495605899.db2.gz DZKCOOPPGQXFEF-INIZCTEOSA-N 1 1 355.438 3.164 20 5 FGBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000158998293 495634079 /nfs/dbraw/zinc/63/40/79/495634079.db2.gz MSJQZVMIDRDSAE-CQSZACIVSA-N 1 1 372.469 3.245 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](OCCO)C3)s2)cc1 ZINC000179571617 495644507 /nfs/dbraw/zinc/64/45/07/495644507.db2.gz UVGZQNHQZYLJIM-MRXNPFEDSA-N 1 1 362.451 3.297 20 5 FGBDMO Cc1[nH+]c(N2CCOCC2)ccc1Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000154577494 495660164 /nfs/dbraw/zinc/66/01/64/495660164.db2.gz UJMISINLBKKFHD-UHFFFAOYSA-N 1 1 365.393 3.427 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159787208 495808196 /nfs/dbraw/zinc/80/81/96/495808196.db2.gz FXLAQBVJBVEQHS-UHFFFAOYSA-N 1 1 370.453 3.430 20 5 FGBDMO CCc1[nH]nc(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000171399710 495856195 /nfs/dbraw/zinc/85/61/95/495856195.db2.gz CCYHJAYUBQSODT-CYBMUJFWSA-N 1 1 371.441 3.365 20 5 FGBDMO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(=O)NCC1CCCCC1 ZINC000155267838 495897844 /nfs/dbraw/zinc/89/78/44/495897844.db2.gz XLHSMRIQWZMWIV-UHFFFAOYSA-N 1 1 351.422 3.299 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000174363388 495928918 /nfs/dbraw/zinc/92/89/18/495928918.db2.gz WQSCQZVWVPCMHS-ABAIWWIYSA-N 1 1 354.838 3.442 20 5 FGBDMO CCN(C(=O)c1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186307992 495939755 /nfs/dbraw/zinc/93/97/55/495939755.db2.gz PQVRAQGXKRRIKE-KRWDZBQOSA-N 1 1 353.422 3.331 20 5 FGBDMO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000186377405 495972970 /nfs/dbraw/zinc/97/29/70/495972970.db2.gz ILEZLRHLYINELP-HOTGVXAUSA-N 1 1 360.414 3.328 20 5 FGBDMO CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000155550006 495991143 /nfs/dbraw/zinc/99/11/43/495991143.db2.gz JJIYLJMHBQHLDP-OAHLLOKOSA-N 1 1 357.410 3.203 20 5 FGBDMO CC[C@H]1C[N@H+](C)CCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000580702436 505817793 /nfs/dbraw/zinc/81/77/93/505817793.db2.gz QVEZNYONRVSKHA-KRWDZBQOSA-N 1 1 353.422 3.356 20 5 FGBDMO CC[C@H]1C[N@@H+](C)CCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000580702436 505817795 /nfs/dbraw/zinc/81/77/95/505817795.db2.gz QVEZNYONRVSKHA-KRWDZBQOSA-N 1 1 353.422 3.356 20 5 FGBDMO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](OCCC(C)C)C2)cccc1[N+](=O)[O-] ZINC000177375588 496037649 /nfs/dbraw/zinc/03/76/49/496037649.db2.gz VVFUBOFRFQOLMT-MRXNPFEDSA-N 1 1 363.458 3.369 20 5 FGBDMO CC[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1c(C)noc1C ZINC000155881575 496096606 /nfs/dbraw/zinc/09/66/06/496096606.db2.gz ZLLAJEBXCSQCQD-CVEARBPZSA-N 1 1 358.398 3.046 20 5 FGBDMO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174826685 496122440 /nfs/dbraw/zinc/12/24/40/496122440.db2.gz RHTUUXNXYNHCQU-UHFFFAOYSA-N 1 1 355.460 3.488 20 5 FGBDMO C[C@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000183888130 496148095 /nfs/dbraw/zinc/14/80/95/496148095.db2.gz PRPDVOBVTXBABB-GJZGRUSLSA-N 1 1 373.428 3.474 20 5 FGBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000174955334 496181384 /nfs/dbraw/zinc/18/13/84/496181384.db2.gz WZHIOMAVCNPARD-MRXNPFEDSA-N 1 1 371.412 3.328 20 5 FGBDMO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC2 ZINC000152864176 496279826 /nfs/dbraw/zinc/27/98/26/496279826.db2.gz TXEFFNZVVKNEAD-CVEARBPZSA-N 1 1 354.834 3.000 20 5 FGBDMO Cc1cnn(-c2cc[nH+]cc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000156639049 496299975 /nfs/dbraw/zinc/29/99/75/496299975.db2.gz QYJKBRHWABHXME-UHFFFAOYSA-N 1 1 357.757 3.390 20 5 FGBDMO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1cc([N+](=O)[O-])ccc1Cl)CC2 ZINC000172589023 496354234 /nfs/dbraw/zinc/35/42/34/496354234.db2.gz DBUWJUAZSJQWBB-HOTGVXAUSA-N 1 1 354.834 3.000 20 5 FGBDMO CC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1nc(C)cs1 ZINC000184368615 496355117 /nfs/dbraw/zinc/35/51/17/496355117.db2.gz LMJTUCHGNSSGHZ-LBPRGKRZSA-N 1 1 364.427 3.048 20 5 FGBDMO Cc1ccc(NCCCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)[nH+]c1 ZINC000157179195 496421697 /nfs/dbraw/zinc/42/16/97/496421697.db2.gz QARYFLWAJBOSBZ-UHFFFAOYSA-N 1 1 365.393 3.078 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@H+]2CCc3ccccc3C2)c1 ZINC000172769894 496423770 /nfs/dbraw/zinc/42/37/70/496423770.db2.gz RFGNMYCDEOYHAY-UHFFFAOYSA-N 1 1 353.422 3.081 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000163232979 496485617 /nfs/dbraw/zinc/48/56/17/496485617.db2.gz BCXHVKNVBWMHOP-RDTXWAMCSA-N 1 1 358.442 3.384 20 5 FGBDMO Cc1sc(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000181661901 496491863 /nfs/dbraw/zinc/49/18/63/496491863.db2.gz GDAWRYMDVWDSBD-DGCLKSJQSA-N 1 1 351.472 3.348 20 5 FGBDMO Cc1c(CC(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)cccc1[N+](=O)[O-] ZINC000178583007 496506770 /nfs/dbraw/zinc/50/67/70/496506770.db2.gz FEIBTKAHCRBILL-ZDUSSCGKSA-N 1 1 373.478 3.070 20 5 FGBDMO Cc1c(CC(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)cccc1[N+](=O)[O-] ZINC000178583007 496506776 /nfs/dbraw/zinc/50/67/76/496506776.db2.gz FEIBTKAHCRBILL-ZDUSSCGKSA-N 1 1 373.478 3.070 20 5 FGBDMO CC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](C)Cc1ccsc1 ZINC000187783677 496569913 /nfs/dbraw/zinc/56/99/13/496569913.db2.gz UWQSLKOZUNGAEB-YOEHRIQHSA-N 1 1 364.467 3.349 20 5 FGBDMO CC[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](C)Cc1ccsc1 ZINC000187801921 496576939 /nfs/dbraw/zinc/57/69/39/496576939.db2.gz LYFMYFNWULPCOO-GOEBONIOSA-N 1 1 364.467 3.349 20 5 FGBDMO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H]1CCCN1c1cccnn1 ZINC000153795240 496581469 /nfs/dbraw/zinc/58/14/69/496581469.db2.gz SWKZYRHDNSSXGZ-CQSZACIVSA-N 1 1 361.833 3.139 20 5 FGBDMO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cccc(F)c1F ZINC000181960901 496614049 /nfs/dbraw/zinc/61/40/49/496614049.db2.gz DEEGMLSOYGNTQM-NSHDSACASA-N 1 1 361.348 3.113 20 5 FGBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000173255780 496614153 /nfs/dbraw/zinc/61/41/53/496614153.db2.gz BELRLFFUDYLXIX-HNNXBMFYSA-N 1 1 363.483 3.068 20 5 FGBDMO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182115137 496675700 /nfs/dbraw/zinc/67/57/00/496675700.db2.gz JNMANRRRHSPWKI-CYBMUJFWSA-N 1 1 353.850 3.377 20 5 FGBDMO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182115137 496675703 /nfs/dbraw/zinc/67/57/03/496675703.db2.gz JNMANRRRHSPWKI-CYBMUJFWSA-N 1 1 353.850 3.377 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000182189027 496701475 /nfs/dbraw/zinc/70/14/75/496701475.db2.gz QOVQDMLQWMGNJD-KRWDZBQOSA-N 1 1 360.385 3.138 20 5 FGBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC000182200888 496705780 /nfs/dbraw/zinc/70/57/80/496705780.db2.gz BWANGSGWECQIAM-GOSISDBHSA-N 1 1 374.462 3.076 20 5 FGBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC000182200888 496705784 /nfs/dbraw/zinc/70/57/84/496705784.db2.gz BWANGSGWECQIAM-GOSISDBHSA-N 1 1 374.462 3.076 20 5 FGBDMO COc1ccccc1C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000182216920 496710597 /nfs/dbraw/zinc/71/05/97/496710597.db2.gz WXVYVJZMEFPIIB-QGZVFWFLSA-N 1 1 372.421 3.008 20 5 FGBDMO CSc1cccc(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000188206179 496716279 /nfs/dbraw/zinc/71/62/79/496716279.db2.gz BZXRQIQOKRCLIZ-ZDUSSCGKSA-N 1 1 351.472 3.024 20 5 FGBDMO CCC[C@@]1(COC)CCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000194928096 496763851 /nfs/dbraw/zinc/76/38/51/496763851.db2.gz PVSSLHFUWYFYAW-SFHVURJKSA-N 1 1 360.414 3.426 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCO[C@H]([C@H]4CCCO4)C3)o2)c1 ZINC000247060081 496767529 /nfs/dbraw/zinc/76/75/29/496767529.db2.gz VIGOLWDXYLXGLR-MOPGFXCFSA-N 1 1 358.394 3.235 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCO[C@H]([C@H]4CCCO4)C3)o2)c1 ZINC000247060081 496767535 /nfs/dbraw/zinc/76/75/35/496767535.db2.gz VIGOLWDXYLXGLR-MOPGFXCFSA-N 1 1 358.394 3.235 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000574844113 505866642 /nfs/dbraw/zinc/86/66/42/505866642.db2.gz CXRFPVOPNRNMER-GOEBONIOSA-N 1 1 354.410 3.196 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000574844113 505866645 /nfs/dbraw/zinc/86/66/45/505866645.db2.gz CXRFPVOPNRNMER-GOEBONIOSA-N 1 1 354.410 3.196 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccccc1 ZINC000247966389 496934899 /nfs/dbraw/zinc/93/48/99/496934899.db2.gz DRGQCPNOGVJVNS-IAGOWNOFSA-N 1 1 359.813 3.423 20 5 FGBDMO Cc1cccc([C@H]2CCC[N@H+]2C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000248373091 496986262 /nfs/dbraw/zinc/98/62/62/496986262.db2.gz GDIJJMZISUQULM-QZTJIDSGSA-N 1 1 356.422 3.480 20 5 FGBDMO Cc1ccccc1[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248372482 496986420 /nfs/dbraw/zinc/98/64/20/496986420.db2.gz AALXFVOBLYKVSK-AEFFLSMTSA-N 1 1 356.422 3.480 20 5 FGBDMO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269680336 496988133 /nfs/dbraw/zinc/98/81/33/496988133.db2.gz XUXRRLFMEIELSS-RTBURBONSA-N 1 1 366.421 3.352 20 5 FGBDMO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269680336 496988139 /nfs/dbraw/zinc/98/81/39/496988139.db2.gz XUXRRLFMEIELSS-RTBURBONSA-N 1 1 366.421 3.352 20 5 FGBDMO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000269704676 496991451 /nfs/dbraw/zinc/99/14/51/496991451.db2.gz QLEOTQDNTOWETR-BFUOFWGJSA-N 1 1 368.437 3.165 20 5 FGBDMO O=C1CC[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)CC[C@@H]2N1C1CC1 ZINC000248439487 497012077 /nfs/dbraw/zinc/01/20/77/497012077.db2.gz UGZKGGJCGSZSCY-GUYCJALGSA-N 1 1 363.845 3.224 20 5 FGBDMO O=C1CC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)CC[C@@H]2N1C1CC1 ZINC000248439487 497012081 /nfs/dbraw/zinc/01/20/81/497012081.db2.gz UGZKGGJCGSZSCY-GUYCJALGSA-N 1 1 363.845 3.224 20 5 FGBDMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248465922 497022319 /nfs/dbraw/zinc/02/23/19/497022319.db2.gz RYDJQBZJRDKGCA-UWWQBHOKSA-N 1 1 374.412 3.352 20 5 FGBDMO C[C@@H](C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000248583477 497047827 /nfs/dbraw/zinc/04/78/27/497047827.db2.gz PFUPBDPKHFDKMN-LSDHHAIUSA-N 1 1 365.449 3.466 20 5 FGBDMO C[C@@H]1CN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000574929416 505885107 /nfs/dbraw/zinc/88/51/07/505885107.db2.gz DICIOKZYCWHZPR-DTORHVGOSA-N 1 1 368.306 3.173 20 5 FGBDMO Cc1ccc(C(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)cc1[N+](=O)[O-] ZINC000278471384 497126210 /nfs/dbraw/zinc/12/62/10/497126210.db2.gz ZKIGBEKAQTZFCV-UHFFFAOYSA-N 1 1 355.394 3.290 20 5 FGBDMO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000236784323 497145164 /nfs/dbraw/zinc/14/51/64/497145164.db2.gz WWIOJZACDIIMOF-INIZCTEOSA-N 1 1 367.409 3.024 20 5 FGBDMO COc1cc(C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)cc([N+](=O)[O-])c1C ZINC000189625630 497186887 /nfs/dbraw/zinc/18/68/87/497186887.db2.gz YWENCOFTMZKNRP-HNNXBMFYSA-N 1 1 363.458 3.010 20 5 FGBDMO CC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H](C)Cc1ccsc1 ZINC000249562358 497221720 /nfs/dbraw/zinc/22/17/20/497221720.db2.gz LYFMYFNWULPCOO-ZBFHGGJFSA-N 1 1 364.467 3.349 20 5 FGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H]2Cn2cnc3ccccc32)c1 ZINC000271407329 497340088 /nfs/dbraw/zinc/34/00/88/497340088.db2.gz OZHSINBZRHUXAZ-YLJYHZDGSA-N 1 1 366.421 3.143 20 5 FGBDMO C[N@H+](Cc1ccc(Cl)cc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193316005 497347859 /nfs/dbraw/zinc/34/78/59/497347859.db2.gz NIMMSBWSLRBBDM-OAHLLOKOSA-N 1 1 350.802 3.120 20 5 FGBDMO O=C1C[C@@H](c2ccccc2)[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCN1 ZINC000255691932 497373564 /nfs/dbraw/zinc/37/35/64/497373564.db2.gz FKTYAEUHLMNHNM-SMTIMMHKSA-N 1 1 351.406 3.171 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)N(C)CC[C@H]2CCCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000245447994 497412636 /nfs/dbraw/zinc/41/26/36/497412636.db2.gz MMQZLLMWONRXSY-HZPDHXFCSA-N 1 1 362.474 3.036 20 5 FGBDMO COc1ccc([C@H](C)C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000245652353 497489930 /nfs/dbraw/zinc/48/99/30/497489930.db2.gz HUEZRGQLVHVSSX-GDBMZVCRSA-N 1 1 356.426 3.288 20 5 FGBDMO CCc1ccc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000193838710 497497900 /nfs/dbraw/zinc/49/79/00/497497900.db2.gz JEFYYCDNGJTTAZ-KRWDZBQOSA-N 1 1 367.449 3.409 20 5 FGBDMO Cc1c(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000262097773 497508321 /nfs/dbraw/zinc/50/83/21/497508321.db2.gz ZCEKSVSTDKJHPK-QGZVFWFLSA-N 1 1 359.813 3.343 20 5 FGBDMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000193880338 497509581 /nfs/dbraw/zinc/50/95/81/497509581.db2.gz JIRMNIDNALENKO-INIZCTEOSA-N 1 1 354.410 3.238 20 5 FGBDMO CCS(=O)(=O)CCCCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000276523240 497592383 /nfs/dbraw/zinc/59/23/83/497592383.db2.gz WPTJBLJJZLQWCN-UHFFFAOYSA-N 1 1 356.488 3.410 20 5 FGBDMO CC(C)C[C@@H](CCO)C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272487793 497642433 /nfs/dbraw/zinc/64/24/33/497642433.db2.gz DGDRBMGRGMEREC-CRAIPNDOSA-N 1 1 360.458 3.052 20 5 FGBDMO CC(C)[N@H+]1CCC[C@@H](CN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272515334 497649073 /nfs/dbraw/zinc/64/90/73/497649073.db2.gz JVRREUNWIHNUAZ-QFBILLFUSA-N 1 1 371.485 3.128 20 5 FGBDMO C[C@@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1 ZINC000272565265 497664348 /nfs/dbraw/zinc/66/43/48/497664348.db2.gz UTUDCGJBFHXSQX-HNAYVOBHSA-N 1 1 366.421 3.475 20 5 FGBDMO COc1cccc(C2([NH2+]Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC2)c1 ZINC000268147087 497687084 /nfs/dbraw/zinc/68/70/84/497687084.db2.gz AHTSLUKGLFTBLU-UHFFFAOYSA-N 1 1 356.378 3.249 20 5 FGBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000246343467 497702548 /nfs/dbraw/zinc/70/25/48/497702548.db2.gz JHXPHIJAKDFKSJ-DLBZAZTESA-N 1 1 374.485 3.120 20 5 FGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)c2ccccc2OC(F)(F)F)cc1 ZINC000280304249 497713414 /nfs/dbraw/zinc/71/34/14/497713414.db2.gz PBPOATIIGBQAFF-CQSZACIVSA-N 1 1 356.300 3.317 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000246457508 497741343 /nfs/dbraw/zinc/74/13/43/497741343.db2.gz FPAGWEJFPABOQJ-RHSMWYFYSA-N 1 1 373.409 3.023 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000246457508 497741348 /nfs/dbraw/zinc/74/13/48/497741348.db2.gz FPAGWEJFPABOQJ-RHSMWYFYSA-N 1 1 373.409 3.023 20 5 FGBDMO COCCN(C)c1ccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cn1 ZINC000191232930 497750461 /nfs/dbraw/zinc/75/04/61/497750461.db2.gz IQIMPJXUGPRZBK-UHFFFAOYSA-N 1 1 370.453 3.237 20 5 FGBDMO COCCN(C)c1ccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cn1 ZINC000191232930 497750469 /nfs/dbraw/zinc/75/04/69/497750469.db2.gz IQIMPJXUGPRZBK-UHFFFAOYSA-N 1 1 370.453 3.237 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000191245044 497755321 /nfs/dbraw/zinc/75/53/21/497755321.db2.gz DNAGVSHHRWXNQI-UHFFFAOYSA-N 1 1 369.343 3.211 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000191245044 497755327 /nfs/dbraw/zinc/75/53/27/497755327.db2.gz DNAGVSHHRWXNQI-UHFFFAOYSA-N 1 1 369.343 3.211 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2nc3c(s2)C[N@H+](C(C)C)CC3)c1 ZINC000273017445 497784195 /nfs/dbraw/zinc/78/41/95/497784195.db2.gz KJGOGWORPHBGTJ-UHFFFAOYSA-N 1 1 360.439 3.379 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)C)CC3)c1 ZINC000273017445 497784198 /nfs/dbraw/zinc/78/41/98/497784198.db2.gz KJGOGWORPHBGTJ-UHFFFAOYSA-N 1 1 360.439 3.379 20 5 FGBDMO CC[C@H](NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1CC)c1cccc([N+](=O)[O-])c1 ZINC000246885957 497818613 /nfs/dbraw/zinc/81/86/13/497818613.db2.gz DWDQIJXGSCOGOW-NJAFHUGGSA-N 1 1 360.458 3.314 20 5 FGBDMO Cc1[nH]nc(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c1[N+](=O)[O-] ZINC000299536541 497838898 /nfs/dbraw/zinc/83/88/98/497838898.db2.gz NAYWCCQYYSFFAW-GFCCVEGCSA-N 1 1 357.414 3.253 20 5 FGBDMO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000572330047 505942649 /nfs/dbraw/zinc/94/26/49/505942649.db2.gz BMISSDKNRLOTAK-LBPRGKRZSA-N 1 1 362.455 3.177 20 5 FGBDMO COCC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCc2cccnc21 ZINC000364343033 497910245 /nfs/dbraw/zinc/91/02/45/497910245.db2.gz WOIOWTTWYRQHFC-RTBURBONSA-N 1 1 371.437 3.049 20 5 FGBDMO Cc1nn(C)c(NC[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000301127887 497963775 /nfs/dbraw/zinc/96/37/75/497963775.db2.gz XTYJQJKRPOWCOG-KRWDZBQOSA-N 1 1 357.458 3.132 20 5 FGBDMO CCOCCC[N@H+]1CC[C@H](NCc2c(F)cc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000285256151 498035253 /nfs/dbraw/zinc/03/52/53/498035253.db2.gz IQBCWFGJEAVNIJ-ACJLOTCBSA-N 1 1 371.428 3.100 20 5 FGBDMO CCOC1CC2(C1)CC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000285370327 498064879 /nfs/dbraw/zinc/06/48/79/498064879.db2.gz BWMJSNWCNQUFMQ-UHFFFAOYSA-N 1 1 367.833 3.078 20 5 FGBDMO CCOC1CC2(C1)CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000285370327 498064886 /nfs/dbraw/zinc/06/48/86/498064886.db2.gz BWMJSNWCNQUFMQ-UHFFFAOYSA-N 1 1 367.833 3.078 20 5 FGBDMO CCOC1CC2(C1)CC[N@@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C2 ZINC000289258389 498081634 /nfs/dbraw/zinc/08/16/34/498081634.db2.gz FOPUQFZJLQZIJA-UHFFFAOYSA-N 1 1 350.415 3.003 20 5 FGBDMO C[C@]12CCC[N@H+]1C[C@H](c1noc(-c3cc4cc([N+](=O)[O-])ccc4o3)n1)OC2 ZINC000350352271 498085374 /nfs/dbraw/zinc/08/53/74/498085374.db2.gz KPFSNWIMHLZSBI-CRAIPNDOSA-N 1 1 370.365 3.317 20 5 FGBDMO O=[N+]([O-])c1ccc2nc(N3CC[NH+](Cc4cccc(O)c4)CC3)ccc2c1 ZINC000301409131 498097222 /nfs/dbraw/zinc/09/72/22/498097222.db2.gz NWMLJXNDBNBQRS-UHFFFAOYSA-N 1 1 364.405 3.171 20 5 FGBDMO O=C(CC[N@H+]1CCC=C(c2cccnc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000289378876 498126172 /nfs/dbraw/zinc/12/61/72/498126172.db2.gz PVILNFZFZBLBRF-UHFFFAOYSA-N 1 1 352.394 3.108 20 5 FGBDMO O=C(CC[N@H+]1CCC[C@H](c2ccncc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000289444327 498150193 /nfs/dbraw/zinc/15/01/93/498150193.db2.gz WTFFCUUUIGAQCX-INIZCTEOSA-N 1 1 354.410 3.198 20 5 FGBDMO CC(C)c1[nH+]ccn1C[C@H]1CCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000364834211 498165917 /nfs/dbraw/zinc/16/59/17/498165917.db2.gz OXXKLUHJRCKFIF-QGZVFWFLSA-N 1 1 356.426 3.148 20 5 FGBDMO CC[C@@H]1CCCC[N@H+]1CCNc1ncc([N+](=O)[O-])cc1Br ZINC000301563851 498166002 /nfs/dbraw/zinc/16/60/02/498166002.db2.gz VBUFSFRALKRSOA-LLVKDONJSA-N 1 1 357.252 3.429 20 5 FGBDMO C[C@@H](CNc1ncc([N+](=O)[O-])cc1Br)[N@H+]1CCC[C@@H](C)C1 ZINC000301577614 498171276 /nfs/dbraw/zinc/17/12/76/498171276.db2.gz ZFPIYUBSFBOPTE-MNOVXSKESA-N 1 1 357.252 3.285 20 5 FGBDMO COC(=O)c1ccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)nc1C1CC1 ZINC000578699443 505999681 /nfs/dbraw/zinc/99/96/81/505999681.db2.gz JRKSNYJUNYGGIT-UHFFFAOYSA-N 1 1 355.394 3.252 20 5 FGBDMO O=[N+]([O-])c1cccnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000301698780 498229265 /nfs/dbraw/zinc/22/92/65/498229265.db2.gz DIWGHUIHXVZMDO-ZWKOTPCHSA-N 1 1 352.438 3.481 20 5 FGBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000578708182 506001551 /nfs/dbraw/zinc/00/15/51/506001551.db2.gz KLWLTXWEOYLTGX-HNNXBMFYSA-N 1 1 355.438 3.466 20 5 FGBDMO C[N@@H+](Cc1ccccc1)C1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000575772119 506001700 /nfs/dbraw/zinc/00/17/00/506001700.db2.gz SGQQZGBZNQUPNJ-UHFFFAOYSA-N 1 1 366.343 3.329 20 5 FGBDMO Cc1ccnc([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)c1 ZINC000581496919 506001816 /nfs/dbraw/zinc/00/18/16/506001816.db2.gz FSMQLWWCDFZKOI-GJZGRUSLSA-N 1 1 354.410 3.115 20 5 FGBDMO Cc1ccnc([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)c1 ZINC000581496919 506001821 /nfs/dbraw/zinc/00/18/21/506001821.db2.gz FSMQLWWCDFZKOI-GJZGRUSLSA-N 1 1 354.410 3.115 20 5 FGBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000331098561 498252013 /nfs/dbraw/zinc/25/20/13/498252013.db2.gz BRMWQSOHOSMPCN-GFCCVEGCSA-N 1 1 369.412 3.042 20 5 FGBDMO C[NH+](C)[C@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000569738476 506004415 /nfs/dbraw/zinc/00/44/15/506004415.db2.gz CTGNTWCLXNOCQU-KRWDZBQOSA-N 1 1 361.829 3.210 20 5 FGBDMO C[N@H+]1CC[C@]2(CCN(C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C2)C1 ZINC000296948154 498263000 /nfs/dbraw/zinc/26/30/00/498263000.db2.gz VTEJQGSJNWLRGQ-HNNXBMFYSA-N 1 1 372.347 3.173 20 5 FGBDMO Cn1cc[nH+]c1C[C@@H]1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000365030153 498263241 /nfs/dbraw/zinc/26/32/41/498263241.db2.gz VSBCCYIKKDDSAQ-AWEZNQCLSA-N 1 1 351.410 3.336 20 5 FGBDMO CC[N@@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Cc1ccncc1 ZINC000289758712 498279944 /nfs/dbraw/zinc/27/99/44/498279944.db2.gz JSWGUWMYCVIFFK-UHFFFAOYSA-N 1 1 351.410 3.412 20 5 FGBDMO CC(C)[C@H]1C[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCCO1 ZINC000293234436 498315744 /nfs/dbraw/zinc/31/57/44/498315744.db2.gz SKQBUOZWWNEFJG-CZUORRHYSA-N 1 1 360.414 3.453 20 5 FGBDMO Cc1cc(N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000301991480 498359560 /nfs/dbraw/zinc/35/95/60/498359560.db2.gz GASPMSNOWZCZBW-OAHLLOKOSA-N 1 1 370.453 3.141 20 5 FGBDMO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c(Cl)c1 ZINC000302047574 498384320 /nfs/dbraw/zinc/38/43/20/498384320.db2.gz LQHSRQZDUYBSCF-MRXNPFEDSA-N 1 1 361.829 3.427 20 5 FGBDMO Cc1cccc(N2CCC(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)[nH+]1 ZINC000361428210 498389834 /nfs/dbraw/zinc/38/98/34/498389834.db2.gz GQKFNLLSOBSZSH-UHFFFAOYSA-N 1 1 374.828 3.350 20 5 FGBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000290057704 498412491 /nfs/dbraw/zinc/41/24/91/498412491.db2.gz AUAOGPFGLQADAK-LBPRGKRZSA-N 1 1 369.487 3.176 20 5 FGBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C2)C1 ZINC000297465965 498459311 /nfs/dbraw/zinc/45/93/11/498459311.db2.gz NLDXDVVOUYMMMZ-INIZCTEOSA-N 1 1 352.822 3.198 20 5 FGBDMO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC[N@H+](C2CCC2)C1 ZINC000293712881 498464940 /nfs/dbraw/zinc/46/49/40/498464940.db2.gz OMVLUOAASBDHFB-GFCCVEGCSA-N 1 1 351.834 3.195 20 5 FGBDMO CCc1nn(C)c(NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000302436426 498484336 /nfs/dbraw/zinc/48/43/36/498484336.db2.gz PQHVMFUVEPDKKM-IBGZPJMESA-N 1 1 357.458 3.357 20 5 FGBDMO O=C1C[C@H]([C@H]2CCCC[N@@H+]2Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CN1 ZINC000362337439 498499508 /nfs/dbraw/zinc/49/95/08/498499508.db2.gz WEHDICKKNLQWPI-MAUKXSAKSA-N 1 1 369.421 3.345 20 5 FGBDMO C[C@@H]1C[NH+](C[C@@H]2CCCN2c2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)O1 ZINC000302551350 498505486 /nfs/dbraw/zinc/50/54/86/498505486.db2.gz WHWBDTJTQSQVTQ-NFAWXSAZSA-N 1 1 353.850 3.326 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@@H](C4CCOCC4)C3)co2)cc1 ZINC000362451811 498519270 /nfs/dbraw/zinc/51/92/70/498519270.db2.gz OYBVCBZQBCZZTR-MRXNPFEDSA-N 1 1 357.410 3.498 20 5 FGBDMO C[C@@H](c1nc([C@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1)c1cccc([N+](=O)[O-])c1 ZINC000575977487 506047596 /nfs/dbraw/zinc/04/75/96/506047596.db2.gz HCFDULJYGGQMLP-DWQUBVKVSA-N 1 1 358.398 3.055 20 5 FGBDMO C[C@@H](c1nc([C@H]2C[N@H+]3CCC[C@@]3(C)CO2)no1)c1cccc([N+](=O)[O-])c1 ZINC000575977487 506047600 /nfs/dbraw/zinc/04/76/00/506047600.db2.gz HCFDULJYGGQMLP-DWQUBVKVSA-N 1 1 358.398 3.055 20 5 FGBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)c1 ZINC000293902449 498528055 /nfs/dbraw/zinc/52/80/55/498528055.db2.gz WFJZTYYHKUXBDJ-LBPRGKRZSA-N 1 1 369.347 3.117 20 5 FGBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCC[C@H](Cn3ccnn3)C2)c1 ZINC000293902449 498528062 /nfs/dbraw/zinc/52/80/62/498528062.db2.gz WFJZTYYHKUXBDJ-LBPRGKRZSA-N 1 1 369.347 3.117 20 5 FGBDMO O=[N+]([O-])c1cc(F)ccc1NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000302779691 498570324 /nfs/dbraw/zinc/57/03/24/498570324.db2.gz HZHRIXRMRPFTKD-KRWDZBQOSA-N 1 1 359.401 3.437 20 5 FGBDMO C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)NCCF ZINC000282603974 498577427 /nfs/dbraw/zinc/57/74/27/498577427.db2.gz HRKFNLVNKHTGOY-JTQLQIEISA-N 1 1 369.780 3.072 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000581745614 506058490 /nfs/dbraw/zinc/05/84/90/506058490.db2.gz JTWUOCSLAONGMO-KRWDZBQOSA-N 1 1 370.409 3.124 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000581745614 506058492 /nfs/dbraw/zinc/05/84/92/506058492.db2.gz JTWUOCSLAONGMO-KRWDZBQOSA-N 1 1 370.409 3.124 20 5 FGBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000302822131 498588118 /nfs/dbraw/zinc/58/81/18/498588118.db2.gz KLGSJNACNWYWQJ-HNNXBMFYSA-N 1 1 366.893 3.163 20 5 FGBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000297912047 498606968 /nfs/dbraw/zinc/60/69/68/498606968.db2.gz TZSNGZFEWIJRKQ-BXUZGUMPSA-N 1 1 371.359 3.170 20 5 FGBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000297913947 498607681 /nfs/dbraw/zinc/60/76/81/498607681.db2.gz UCNVNFZATKHTIF-IAQYHMDHSA-N 1 1 371.359 3.170 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)cccc1[N+](=O)[O-] ZINC000298309578 498728892 /nfs/dbraw/zinc/72/88/92/498728892.db2.gz QEKSIGIABGSFKA-HZUKXOBISA-N 1 1 353.369 3.207 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)cccc1[N+](=O)[O-] ZINC000298309578 498728897 /nfs/dbraw/zinc/72/88/97/498728897.db2.gz QEKSIGIABGSFKA-HZUKXOBISA-N 1 1 353.369 3.207 20 5 FGBDMO O=[N+]([O-])c1c(NC[C@H]2CCC[N@@H+](Cc3cccnc3)C2)nc2sccn21 ZINC000363407426 498804682 /nfs/dbraw/zinc/80/46/82/498804682.db2.gz XPTZEDOFLBDYNU-CQSZACIVSA-N 1 1 372.454 3.023 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCCO[C@@H]4CCC[C@H]43)o2)c1 ZINC000363410420 498806332 /nfs/dbraw/zinc/80/63/32/498806332.db2.gz DVYSADWIWJZMLB-IAGOWNOFSA-N 1 1 357.410 3.436 20 5 FGBDMO COc1cc(C[N@@H+]2CCC[C@@H](OC)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000363669479 498935545 /nfs/dbraw/zinc/93/55/45/498935545.db2.gz CCROQRIDBFWNIH-CYBMUJFWSA-N 1 1 374.384 3.248 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@H](O)CC(C)(C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000295237059 498952348 /nfs/dbraw/zinc/95/23/48/498952348.db2.gz OPAAQPWFZOLNCV-GFCCVEGCSA-N 1 1 374.384 3.188 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000366606449 499000531 /nfs/dbraw/zinc/00/05/31/499000531.db2.gz HHDJITFDHYHORQ-HNNXBMFYSA-N 1 1 359.430 3.155 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@H]([C@H]4CCOC4)C3)o2)c1 ZINC000366650889 499018291 /nfs/dbraw/zinc/01/82/91/499018291.db2.gz GUMIUIVHGKADOP-HOTGVXAUSA-N 1 1 357.410 3.151 20 5 FGBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000299343286 499030580 /nfs/dbraw/zinc/03/05/80/499030580.db2.gz FGOCOAZXSJCNMH-GJZGRUSLSA-N 1 1 365.499 3.312 20 5 FGBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC)C1 ZINC000284344084 499092501 /nfs/dbraw/zinc/09/25/01/499092501.db2.gz JQCOAQSMRBHEIL-HNNXBMFYSA-N 1 1 372.473 3.041 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000284400623 499101608 /nfs/dbraw/zinc/10/16/08/499101608.db2.gz NHSAKPVETDFIPE-IEBWSBKVSA-N 1 1 369.421 3.169 20 5 FGBDMO COc1cc(C[NH+]2CCC(c3nccc(C)n3)CC2)c([N+](=O)[O-])cc1F ZINC000364056388 499102204 /nfs/dbraw/zinc/10/22/04/499102204.db2.gz MRNVSRZBANNKKK-UHFFFAOYSA-N 1 1 360.389 3.221 20 5 FGBDMO Cc1c(C(=O)N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cccc1[N+](=O)[O-] ZINC000372532247 499140848 /nfs/dbraw/zinc/14/08/48/499140848.db2.gz HWSMHNDLRBVIAG-LPHOPBHVSA-N 1 1 368.437 3.063 20 5 FGBDMO CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1c(F)cc([N+](=O)[O-])cc1F ZINC000372573643 499147503 /nfs/dbraw/zinc/14/75/03/499147503.db2.gz TYKQVFQIHBAEGL-GUYCJALGSA-N 1 1 362.380 3.397 20 5 FGBDMO Cc1cc(CN2CCC([N@@H+](C)Cc3ccc([N+](=O)[O-])c(F)c3)CC2)on1 ZINC000367297352 499175755 /nfs/dbraw/zinc/17/57/55/499175755.db2.gz AKGJBQIPIFIMJM-UHFFFAOYSA-N 1 1 362.405 3.127 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@]4(CCCCO4)C3)o2)cc1 ZINC000370092128 499178576 /nfs/dbraw/zinc/17/85/76/499178576.db2.gz LXTKMRXRSWESCE-GOSISDBHSA-N 1 1 358.398 3.180 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@]4(CCCCO4)C3)o2)cc1 ZINC000370092128 499178577 /nfs/dbraw/zinc/17/85/77/499178577.db2.gz LXTKMRXRSWESCE-GOSISDBHSA-N 1 1 358.398 3.180 20 5 FGBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000367729155 499229027 /nfs/dbraw/zinc/22/90/27/499229027.db2.gz ONCXTYGSOHVXAU-AUUYWEPGSA-N 1 1 371.441 3.026 20 5 FGBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000367729155 499229028 /nfs/dbraw/zinc/22/90/28/499229028.db2.gz ONCXTYGSOHVXAU-AUUYWEPGSA-N 1 1 371.441 3.026 20 5 FGBDMO Cc1cc(C(=O)N2CCC[C@H](n3cc[nH+]c3C(C)C)C2)c(N)c([N+](=O)[O-])c1 ZINC000370872020 499265187 /nfs/dbraw/zinc/26/51/87/499265187.db2.gz PQORVQISDINWGO-AWEZNQCLSA-N 1 1 371.441 3.283 20 5 FGBDMO CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000370877155 499265817 /nfs/dbraw/zinc/26/58/17/499265817.db2.gz RASILVHPPRGZAB-MRXNPFEDSA-N 1 1 356.426 3.321 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@H](C[C@H]4CCOC4)C3)n2)c1 ZINC000371449490 499328241 /nfs/dbraw/zinc/32/82/41/499328241.db2.gz VSXCCNFSFIJTRP-LSDHHAIUSA-N 1 1 372.425 3.283 20 5 FGBDMO COCCn1ncc2c1[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)CCC2 ZINC000368857610 499340372 /nfs/dbraw/zinc/34/03/72/499340372.db2.gz WSBNVXMMEXYEMJ-MRXNPFEDSA-N 1 1 364.833 3.258 20 5 FGBDMO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000371660142 499351983 /nfs/dbraw/zinc/35/19/83/499351983.db2.gz MRJNVULDQWWJFM-HOTGVXAUSA-N 1 1 351.834 3.224 20 5 FGBDMO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000371660142 499351984 /nfs/dbraw/zinc/35/19/84/499351984.db2.gz MRJNVULDQWWJFM-HOTGVXAUSA-N 1 1 351.834 3.224 20 5 FGBDMO COc1cc(C[NH+]2CCC3(CCO3)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000369326571 499391733 /nfs/dbraw/zinc/39/17/33/499391733.db2.gz JCGQOYNEANHSCJ-UHFFFAOYSA-N 1 1 372.368 3.002 20 5 FGBDMO COC[C@@H]1CCCC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000372088638 499397927 /nfs/dbraw/zinc/39/79/27/499397927.db2.gz OALLJRFTNLRKOL-QWHCGFSZSA-N 1 1 369.849 3.324 20 5 FGBDMO COC[C@@H]1CCCC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000372088638 499397929 /nfs/dbraw/zinc/39/79/29/499397929.db2.gz OALLJRFTNLRKOL-QWHCGFSZSA-N 1 1 369.849 3.324 20 5 FGBDMO C[N@H+]1CC[C@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000369565132 499418459 /nfs/dbraw/zinc/41/84/59/499418459.db2.gz UGVXRSSTDNTANV-BZNIZROVSA-N 1 1 363.414 3.218 20 5 FGBDMO C[N@H+]1CC[C@@H](CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccs1 ZINC000369568127 499419315 /nfs/dbraw/zinc/41/93/15/499419315.db2.gz KBAUDRWSYGPMIO-IGKGSBEGSA-N 1 1 371.462 3.479 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@H](C[C@@H]4CCOC4)C3)o2)cc1 ZINC000373143922 499453642 /nfs/dbraw/zinc/45/36/42/499453642.db2.gz YOOYJZMPBUDHBF-CABCVRRESA-N 1 1 372.425 3.283 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000373771220 499487235 /nfs/dbraw/zinc/48/72/35/499487235.db2.gz LWTVBIMGMLJAGD-HNNXBMFYSA-N 1 1 367.409 3.026 20 5 FGBDMO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CCCc2cccnc21 ZINC000375562620 499532910 /nfs/dbraw/zinc/53/29/10/499532910.db2.gz CYOWBOUIHSQRFF-KRWDZBQOSA-N 1 1 372.400 3.467 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000388431460 499550862 /nfs/dbraw/zinc/55/08/62/499550862.db2.gz UOGGUFHSLWDGKD-ZWKOTPCHSA-N 1 1 352.438 3.257 20 5 FGBDMO CC(C)c1[nH+]ccn1[C@@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000375798872 499556757 /nfs/dbraw/zinc/55/67/57/499556757.db2.gz XXTAPMGIJQUWBI-OAHLLOKOSA-N 1 1 371.441 3.190 20 5 FGBDMO CSc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000411132140 499701364 /nfs/dbraw/zinc/70/13/64/499701364.db2.gz KVLPRSCGJOSITB-OAHLLOKOSA-N 1 1 362.451 3.188 20 5 FGBDMO CSc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000411132140 499701365 /nfs/dbraw/zinc/70/13/65/499701365.db2.gz KVLPRSCGJOSITB-OAHLLOKOSA-N 1 1 362.451 3.188 20 5 FGBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000411721691 499783203 /nfs/dbraw/zinc/78/32/03/499783203.db2.gz PEZHNKVRAVQXIO-GOSISDBHSA-N 1 1 357.385 3.014 20 5 FGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000411721691 499783204 /nfs/dbraw/zinc/78/32/04/499783204.db2.gz PEZHNKVRAVQXIO-GOSISDBHSA-N 1 1 357.385 3.014 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000411970841 499807533 /nfs/dbraw/zinc/80/75/33/499807533.db2.gz SFRQJJKFOARCRA-MGPUTAFESA-N 1 1 353.422 3.093 20 5 FGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000414555976 499808321 /nfs/dbraw/zinc/80/83/21/499808321.db2.gz UZRPYFGAJFSHQP-ZUTYSQTGSA-N 1 1 357.454 3.475 20 5 FGBDMO CC[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1occc1C ZINC000412023978 499814015 /nfs/dbraw/zinc/81/40/15/499814015.db2.gz DZOSLAQPGOYAQK-UHFFFAOYSA-N 1 1 359.382 3.316 20 5 FGBDMO CC(C)Oc1cc(C(=O)N2CCC3(CCC[N@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000412226678 499836020 /nfs/dbraw/zinc/83/60/20/499836020.db2.gz IMHSWLPJPZOVDN-UHFFFAOYSA-N 1 1 361.442 3.082 20 5 FGBDMO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000412242532 499837312 /nfs/dbraw/zinc/83/73/12/499837312.db2.gz JXRFTMGJJZBWMO-BXIUTXANSA-N 1 1 371.481 3.468 20 5 FGBDMO Cn1cc[nH+]c1C[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413193262 499925247 /nfs/dbraw/zinc/92/52/47/499925247.db2.gz HCRMWDHJFAXCLI-LLVKDONJSA-N 1 1 369.347 3.201 20 5 FGBDMO O=[N+]([O-])c1cnc(N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c(F)c1 ZINC000413310443 499940337 /nfs/dbraw/zinc/94/03/37/499940337.db2.gz NHIFZPOKVAOCEE-CVEARBPZSA-N 1 1 356.401 3.087 20 5 FGBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H](C)C1 ZINC000429007575 499980566 /nfs/dbraw/zinc/98/05/66/499980566.db2.gz VSXURWFDGLIMGI-SPYBWZPUSA-N 1 1 370.453 3.412 20 5 FGBDMO CC(C)(C)[N@H+]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000425073555 500011090 /nfs/dbraw/zinc/01/10/90/500011090.db2.gz AVQJJSFLSQEYHQ-UHFFFAOYSA-N 1 1 360.439 3.460 20 5 FGBDMO CC(C)([NH2+]CC(=O)NCCCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000429255062 500035383 /nfs/dbraw/zinc/03/53/83/500035383.db2.gz ORDGHTSSBVSSMP-UHFFFAOYSA-N 1 1 355.438 3.169 20 5 FGBDMO CC(C)([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccccc1F ZINC000429258492 500035720 /nfs/dbraw/zinc/03/57/20/500035720.db2.gz VXRDOEPDBPHZDC-UHFFFAOYSA-N 1 1 357.385 3.148 20 5 FGBDMO CC(C)([NH2+]CC(=O)Nc1cccc2nsnc21)c1ccccc1[N+](=O)[O-] ZINC000429275367 500039759 /nfs/dbraw/zinc/03/97/59/500039759.db2.gz UWVMXDZAWIMQNK-UHFFFAOYSA-N 1 1 371.422 3.063 20 5 FGBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425439320 500106645 /nfs/dbraw/zinc/10/66/45/500106645.db2.gz AAUAVTXXMQRYRK-BOOVAVIHSA-N 1 1 367.243 3.213 20 5 FGBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425439320 500106649 /nfs/dbraw/zinc/10/66/49/500106649.db2.gz AAUAVTXXMQRYRK-BOOVAVIHSA-N 1 1 367.243 3.213 20 5 FGBDMO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4ccc(Br)cc4[N+](=O)[O-])[C@H]1[C@H]3C2 ZINC000425439322 500106951 /nfs/dbraw/zinc/10/69/51/500106951.db2.gz AAUAVTXXMQRYRK-GSJWJAIFSA-N 1 1 367.243 3.213 20 5 FGBDMO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4ccc(Br)cc4[N+](=O)[O-])[C@H]1[C@H]3C2 ZINC000425439322 500106952 /nfs/dbraw/zinc/10/69/52/500106952.db2.gz AAUAVTXXMQRYRK-GSJWJAIFSA-N 1 1 367.243 3.213 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000425466066 500114048 /nfs/dbraw/zinc/11/40/48/500114048.db2.gz ASLCKONBPCMVOD-JMSVASOKSA-N 1 1 369.259 3.340 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000425466066 500114052 /nfs/dbraw/zinc/11/40/52/500114052.db2.gz ASLCKONBPCMVOD-JMSVASOKSA-N 1 1 369.259 3.340 20 5 FGBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000570496300 506180412 /nfs/dbraw/zinc/18/04/12/506180412.db2.gz IGUBVNXVGABROA-OAHLLOKOSA-N 1 1 369.421 3.472 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C(=O)OC(C)(C)C)CC1 ZINC000430211147 500209366 /nfs/dbraw/zinc/20/93/66/500209366.db2.gz HHFVYQQVXVNUDI-UHFFFAOYSA-N 1 1 350.415 3.157 20 5 FGBDMO Cc1cc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)nc(N2CCCC2)n1 ZINC000426288403 500257129 /nfs/dbraw/zinc/25/71/29/500257129.db2.gz JEDALEBSVFFGPC-IBGZPJMESA-N 1 1 367.453 3.461 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@H](c4ccncc4)C3)o2)cc1 ZINC000582339051 506190214 /nfs/dbraw/zinc/19/02/14/506190214.db2.gz KSSPIQOBXKEBPY-HNNXBMFYSA-N 1 1 351.366 3.029 20 5 FGBDMO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)n1 ZINC000427260503 500374644 /nfs/dbraw/zinc/37/46/44/500374644.db2.gz NODJSNHTQZSITR-AWEZNQCLSA-N 1 1 371.441 3.438 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420606556 500476860 /nfs/dbraw/zinc/47/68/60/500476860.db2.gz YPEUFQVVVLCWTG-OAHLLOKOSA-N 1 1 374.485 3.175 20 5 FGBDMO CC(C)[C@@H](C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)N1CCN(C)CC1 ZINC000433151646 500635666 /nfs/dbraw/zinc/63/56/66/500635666.db2.gz IYTLYFBQJYEWID-WOJBJXKFSA-N 1 1 374.529 3.179 20 5 FGBDMO COc1ccc(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000437835810 500703713 /nfs/dbraw/zinc/70/37/13/500703713.db2.gz CGSNQANBIKELJD-MRXNPFEDSA-N 1 1 361.442 3.130 20 5 FGBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000448254360 500739815 /nfs/dbraw/zinc/73/98/15/500739815.db2.gz DRCLSEMTBCJYMF-SFHVURJKSA-N 1 1 374.485 3.389 20 5 FGBDMO CC[C@H]1CC[N@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000438482824 500790794 /nfs/dbraw/zinc/79/07/94/500790794.db2.gz YZMLEZHIEIHZMR-LBPRGKRZSA-N 1 1 360.439 3.389 20 5 FGBDMO CC[C@H]1CC[N@@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000438482824 500790797 /nfs/dbraw/zinc/79/07/97/500790797.db2.gz YZMLEZHIEIHZMR-LBPRGKRZSA-N 1 1 360.439 3.389 20 5 FGBDMO C[C@@H]1C[C@H](NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC[N@H+]1C ZINC000444077131 500799909 /nfs/dbraw/zinc/79/99/09/500799909.db2.gz SIKDUCSAPYWJAC-CHWSQXEVSA-N 1 1 367.424 3.033 20 5 FGBDMO COc1ccccc1C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000444233018 500821530 /nfs/dbraw/zinc/82/15/30/500821530.db2.gz ABAXNUBBHUHGEJ-OAHLLOKOSA-N 1 1 371.437 3.413 20 5 FGBDMO O=C(NC[C@H]1CCCC[N@H+]1C1CC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000434417318 500839663 /nfs/dbraw/zinc/83/96/63/500839663.db2.gz USOBFQBVKHYPGF-CYBMUJFWSA-N 1 1 371.359 3.360 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCSC(C)(C)CC2)cccc1[N+](=O)[O-] ZINC000434712742 500883033 /nfs/dbraw/zinc/88/30/33/500883033.db2.gz WRPCIAWIGCLCER-CYBMUJFWSA-N 1 1 351.472 3.448 20 5 FGBDMO Cc1cc(C[N@@H+](C)CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)ccc1F ZINC000444745758 500891567 /nfs/dbraw/zinc/89/15/67/500891567.db2.gz VTBBFGVLGCBACJ-UHFFFAOYSA-N 1 1 373.384 3.472 20 5 FGBDMO CCC[C@]1(CO)CCC[N@H+]1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000444765479 500894629 /nfs/dbraw/zinc/89/46/29/500894629.db2.gz JIDTZDIBHBISCH-QGZVFWFLSA-N 1 1 374.384 3.332 20 5 FGBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCCC[C@H]2c2cccc(Cl)c2)c1 ZINC000444797277 500902580 /nfs/dbraw/zinc/90/25/80/500902580.db2.gz CPCDOVOWCLFAHO-IRXDYDNUSA-N 1 1 364.833 3.033 20 5 FGBDMO CC(C)[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H](O)COc1ccccc1 ZINC000444808038 500904864 /nfs/dbraw/zinc/90/48/64/500904864.db2.gz PDMZSZUPNQATCR-OAHLLOKOSA-N 1 1 350.440 3.307 20 5 FGBDMO CC(C)[N@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H](O)COc1ccccc1 ZINC000444808038 500904866 /nfs/dbraw/zinc/90/48/66/500904866.db2.gz PDMZSZUPNQATCR-OAHLLOKOSA-N 1 1 350.440 3.307 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000439921075 500955613 /nfs/dbraw/zinc/95/56/13/500955613.db2.gz YIHBDBZSPKRRRJ-UHFFFAOYSA-N 1 1 364.446 3.380 20 5 FGBDMO O=[N+]([O-])c1ccc(CC[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435628033 501004833 /nfs/dbraw/zinc/00/48/33/501004833.db2.gz PDQUEGPSGUPXRF-IBGZPJMESA-N 1 1 354.454 3.177 20 5 FGBDMO O=[N+]([O-])c1ccc(CCN(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435628033 501004836 /nfs/dbraw/zinc/00/48/36/501004836.db2.gz PDQUEGPSGUPXRF-IBGZPJMESA-N 1 1 354.454 3.177 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000445989675 501060064 /nfs/dbraw/zinc/06/00/64/501060064.db2.gz XCSSHTLXRKBHOW-IYBDPMFKSA-N 1 1 361.486 3.400 20 5 FGBDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000449752489 501075354 /nfs/dbraw/zinc/07/53/54/501075354.db2.gz FWBBQEUSCGIHIU-ZWKOTPCHSA-N 1 1 354.406 3.292 20 5 FGBDMO O=C(C[N@@H+]1CCC[C@@H](Cc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000436130191 501075460 /nfs/dbraw/zinc/07/54/60/501075460.db2.gz NIBZDSSFMZOQST-KRWDZBQOSA-N 1 1 353.422 3.488 20 5 FGBDMO O=C(C[N@H+]1CCC[C@@H](Cc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000436130191 501075463 /nfs/dbraw/zinc/07/54/63/501075463.db2.gz NIBZDSSFMZOQST-KRWDZBQOSA-N 1 1 353.422 3.488 20 5 FGBDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1c1ccccc1 ZINC000449754989 501076778 /nfs/dbraw/zinc/07/67/78/501076778.db2.gz LJUHACIZUWBQEI-IAGOWNOFSA-N 1 1 358.369 3.123 20 5 FGBDMO CC(C)(C)Oc1cc(NC[C@@H]2CCC[N@H+]2CCCO)ccc1[N+](=O)[O-] ZINC000450589207 501161697 /nfs/dbraw/zinc/16/16/97/501161697.db2.gz CHZOCRICNZSUJA-HNNXBMFYSA-N 1 1 351.447 3.031 20 5 FGBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCc2ccccc2C)c([N+](=O)[O-])c1 ZINC000451164406 501249302 /nfs/dbraw/zinc/24/93/02/501249302.db2.gz BOFHIEDHYYRHEU-OAHLLOKOSA-N 1 1 371.437 3.413 20 5 FGBDMO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000451182247 501250630 /nfs/dbraw/zinc/25/06/30/501250630.db2.gz IRJPZWCTEBPGKV-QWQRMKEZSA-N 1 1 353.422 3.460 20 5 FGBDMO CCOc1cc(C[N@@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)ccc1[N+](=O)[O-] ZINC000451280488 501257154 /nfs/dbraw/zinc/25/71/54/501257154.db2.gz GTRZCYOOECDYPO-YLJYHZDGSA-N 1 1 374.412 3.294 20 5 FGBDMO CCOc1cc(C[N@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)ccc1[N+](=O)[O-] ZINC000451280488 501257155 /nfs/dbraw/zinc/25/71/55/501257155.db2.gz GTRZCYOOECDYPO-YLJYHZDGSA-N 1 1 374.412 3.294 20 5 FGBDMO O=[N+]([O-])c1cccc([C@H](NC[C@@H]2CCCC[N@H+]2CCO)c2ccccc2)c1 ZINC000453270376 501303683 /nfs/dbraw/zinc/30/36/83/501303683.db2.gz SKNNAKXXIBHJGA-LEWJYISDSA-N 1 1 369.465 3.121 20 5 FGBDMO O=[N+]([O-])c1cccc([C@H](NC[C@@H]2CCCC[N@@H+]2CCO)c2ccccc2)c1 ZINC000453270376 501303684 /nfs/dbraw/zinc/30/36/84/501303684.db2.gz SKNNAKXXIBHJGA-LEWJYISDSA-N 1 1 369.465 3.121 20 5 FGBDMO C[N@@H+](CCCCNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000455601798 501344040 /nfs/dbraw/zinc/34/40/40/501344040.db2.gz CTGPXTXEHPCQSF-KRWDZBQOSA-N 1 1 374.485 3.358 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC3(CCC3)[C@@H]2c2ccco2)c1 ZINC000451845337 501384539 /nfs/dbraw/zinc/38/45/39/501384539.db2.gz UUNKNXKKWVPLOE-YJBOKZPZSA-N 1 1 358.394 3.155 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC3(CCC3)[C@@H]2c2ccco2)c1 ZINC000451845337 501384540 /nfs/dbraw/zinc/38/45/40/501384540.db2.gz UUNKNXKKWVPLOE-YJBOKZPZSA-N 1 1 358.394 3.155 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000456332219 501500996 /nfs/dbraw/zinc/50/09/96/501500996.db2.gz QKHVIRGHAJOUIB-AGUYFDCRSA-N 1 1 363.483 3.450 20 5 FGBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)C[C@@H]21 ZINC000453043433 501607284 /nfs/dbraw/zinc/60/72/84/501607284.db2.gz XEWNILNZHLRNRO-KDOFPFPSSA-N 1 1 367.405 3.163 20 5 FGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000602694402 506264737 /nfs/dbraw/zinc/26/47/37/506264737.db2.gz MKRRBBGVZIQDTO-CYBMUJFWSA-N 1 1 355.320 3.042 20 5 FGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000602694402 506264739 /nfs/dbraw/zinc/26/47/39/506264739.db2.gz MKRRBBGVZIQDTO-CYBMUJFWSA-N 1 1 355.320 3.042 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCc3cccc(Cl)c3C2)c1 ZINC000459685379 501698662 /nfs/dbraw/zinc/69/86/62/501698662.db2.gz VSKRQDJCLURYOO-OAHLLOKOSA-N 1 1 362.813 3.046 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCc3cccc(Cl)c3C2)c1 ZINC000459685379 501698663 /nfs/dbraw/zinc/69/86/63/501698663.db2.gz VSKRQDJCLURYOO-OAHLLOKOSA-N 1 1 362.813 3.046 20 5 FGBDMO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000459778225 501712860 /nfs/dbraw/zinc/71/28/60/501712860.db2.gz ZJAVXDNZKGEJST-WMLDXEAASA-N 1 1 362.401 3.037 20 5 FGBDMO CCCN(C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])[C@@H]1CC[N@@H+](C)C1 ZINC000592829574 506269142 /nfs/dbraw/zinc/26/91/42/506269142.db2.gz QTAOATAMRXJBKE-MRXNPFEDSA-N 1 1 368.437 3.213 20 5 FGBDMO COc1c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000474200459 501740956 /nfs/dbraw/zinc/74/09/56/501740956.db2.gz VIWUYQWVCQZHID-MRXNPFEDSA-N 1 1 373.409 3.153 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)c2ncc([N+](=O)[O-])cc2Br)C[C@@H]1C ZINC000485165446 501744964 /nfs/dbraw/zinc/74/49/64/501744964.db2.gz UKWAZUJGYGNVDA-QWRGUYRKSA-N 1 1 357.252 3.061 20 5 FGBDMO CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460318743 501790644 /nfs/dbraw/zinc/79/06/44/501790644.db2.gz RYPWQWCAFMHPDM-WMLDXEAASA-N 1 1 372.473 3.182 20 5 FGBDMO C[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@@H]1c1cccs1 ZINC000596145966 506278381 /nfs/dbraw/zinc/27/83/81/506278381.db2.gz JGBXCWFOQGNNHU-YVEFUNNKSA-N 1 1 374.466 3.250 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471011248 501890600 /nfs/dbraw/zinc/89/06/00/501890600.db2.gz IUEKAKAZBQXKKW-KDURUIRLSA-N 1 1 367.449 3.167 20 5 FGBDMO CSc1cccc(C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000485730190 501918098 /nfs/dbraw/zinc/91/80/98/501918098.db2.gz DOQARAIIYZBWOZ-STQMWFEESA-N 1 1 351.472 3.309 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CCO)CC1CCCCC1 ZINC000485864304 501967074 /nfs/dbraw/zinc/96/70/74/501967074.db2.gz QBBCRMCUZYWANX-UHFFFAOYSA-N 1 1 363.458 3.106 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC000478475171 501994745 /nfs/dbraw/zinc/99/47/45/501994745.db2.gz KETHVTOQLZPHLY-CHWSQXEVSA-N 1 1 351.472 3.167 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CCCC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC000475126466 502069262 /nfs/dbraw/zinc/06/92/62/502069262.db2.gz AWEZYKNDDNXRGJ-UHFFFAOYSA-N 1 1 362.426 3.303 20 5 FGBDMO C[C@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[N@H+]1CCCC[C@@H]1C ZINC000478728168 502069678 /nfs/dbraw/zinc/06/96/78/502069678.db2.gz ZVGYQWIAXFUNMH-UONOGXRCSA-N 1 1 360.458 3.162 20 5 FGBDMO CCc1ccc(C(=O)NC[C@H](c2ccccc2OC)[NH+](C)C)cc1[N+](=O)[O-] ZINC000471606744 502085396 /nfs/dbraw/zinc/08/53/96/502085396.db2.gz VESFUGTZNAFJPR-GOSISDBHSA-N 1 1 371.437 3.199 20 5 FGBDMO CN(CCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464828541 502109365 /nfs/dbraw/zinc/10/93/65/502109365.db2.gz CGCUYXGRATXKOX-IBGZPJMESA-N 1 1 369.465 3.428 20 5 FGBDMO CC[C@H](Nc1ncc(C)cc1[N+](=O)[O-])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000471698636 502111725 /nfs/dbraw/zinc/11/17/25/502111725.db2.gz RBVAJUGPJFFBSY-PKOBYXMFSA-N 1 1 370.453 3.390 20 5 FGBDMO CC[C@H](Nc1ncc(C)cc1[N+](=O)[O-])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000471698636 502111729 /nfs/dbraw/zinc/11/17/29/502111729.db2.gz RBVAJUGPJFFBSY-PKOBYXMFSA-N 1 1 370.453 3.390 20 5 FGBDMO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)CCO2 ZINC000475289644 502121321 /nfs/dbraw/zinc/12/13/21/502121321.db2.gz BKEDAHSXLPYUKY-IFXJQAMLSA-N 1 1 358.394 3.235 20 5 FGBDMO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)CCO2 ZINC000475289644 502121329 /nfs/dbraw/zinc/12/13/29/502121329.db2.gz BKEDAHSXLPYUKY-IFXJQAMLSA-N 1 1 358.394 3.235 20 5 FGBDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1Cc2ccccc2C1 ZINC000475485026 502186630 /nfs/dbraw/zinc/18/66/30/502186630.db2.gz GEXOTKHJPGNLRD-GFCCVEGCSA-N 1 1 359.813 3.269 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000475491525 502188316 /nfs/dbraw/zinc/18/83/16/502188316.db2.gz GGKZGULSBJFALE-MAUKXSAKSA-N 1 1 353.422 3.355 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000475491525 502188322 /nfs/dbraw/zinc/18/83/22/502188322.db2.gz GGKZGULSBJFALE-MAUKXSAKSA-N 1 1 353.422 3.355 20 5 FGBDMO COC(=O)c1c(Cl)c(N[C@H](C)C2=CC[N@@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000596186508 506300128 /nfs/dbraw/zinc/30/01/28/506300128.db2.gz LJHQBQQQJCDCFJ-SNVBAGLBSA-N 1 1 353.806 3.097 20 5 FGBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@]2(CO)Cc2ccccc2)cc1 ZINC000475651340 502242660 /nfs/dbraw/zinc/24/26/60/502242660.db2.gz OMIRRNCHPBPNCL-HXUWFJFHSA-N 1 1 356.422 3.043 20 5 FGBDMO O=c1[nH]ccc(N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1[N+](=O)[O-] ZINC000596191913 506302301 /nfs/dbraw/zinc/30/23/01/506302301.db2.gz BZKXVAGFDDZNLD-YESZJQIVSA-N 1 1 368.437 3.408 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1Cc2ccc(C)cc2C1 ZINC000483316636 502348522 /nfs/dbraw/zinc/34/85/22/502348522.db2.gz QSCYMYWHDVBGRL-UHFFFAOYSA-N 1 1 355.394 3.256 20 5 FGBDMO Cc1cc(N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])s1 ZINC000596208915 506311395 /nfs/dbraw/zinc/31/13/95/506311395.db2.gz KQFXUZCIKWLPSE-SFHVURJKSA-N 1 1 361.467 3.038 20 5 FGBDMO C[C@@H]([N@H+](Cc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000469443899 502421436 /nfs/dbraw/zinc/42/14/36/502421436.db2.gz DCGFWUDJNPIUJL-CRAIPNDOSA-N 1 1 360.458 3.089 20 5 FGBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000479982762 502436908 /nfs/dbraw/zinc/43/69/08/502436908.db2.gz CUSCDLCAHAVFGI-UHFFFAOYSA-N 1 1 357.458 3.220 20 5 FGBDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000469508995 502445550 /nfs/dbraw/zinc/44/55/50/502445550.db2.gz SDQPJAKVJDKABM-LJQANCHMSA-N 1 1 369.465 3.410 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000462693757 502535670 /nfs/dbraw/zinc/53/56/70/502535670.db2.gz ZNYBOXJHVAQWDG-YOEHRIQHSA-N 1 1 363.421 3.470 20 5 FGBDMO C[C@H](c1ccsc1)[NH+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000462693506 502535849 /nfs/dbraw/zinc/53/58/49/502535849.db2.gz WZNUMWBEZJAYSW-CYBMUJFWSA-N 1 1 369.450 3.483 20 5 FGBDMO C[N@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c(OCc4ccccc4)n3)[C@H]2C1 ZINC000462695826 502536691 /nfs/dbraw/zinc/53/66/91/502536691.db2.gz IPQWKYVTFFUVKK-WMZOPIPTSA-N 1 1 368.437 3.099 20 5 FGBDMO Cc1[nH+]cn(-c2ccc(NC(=O)c3cc([N+](=O)[O-])cnc3C)cc2)c1C ZINC000462779940 502568609 /nfs/dbraw/zinc/56/86/09/502568609.db2.gz OVYPDBADCFSQQG-UHFFFAOYSA-N 1 1 351.366 3.353 20 5 FGBDMO C[C@@H]1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC(=O)N1Cc1ccccc1 ZINC000466477402 502582351 /nfs/dbraw/zinc/58/23/51/502582351.db2.gz LGZLCJHCMBECSH-FZKQIMNGSA-N 1 1 357.385 3.013 20 5 FGBDMO CC(C)[C@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[N@H+]1C ZINC000487992888 502593225 /nfs/dbraw/zinc/59/32/25/502593225.db2.gz YXGCPCQWVDJCLX-QGZVFWFLSA-N 1 1 358.442 3.064 20 5 FGBDMO CC(C)[C@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCN1C ZINC000487992888 502593233 /nfs/dbraw/zinc/59/32/33/502593233.db2.gz YXGCPCQWVDJCLX-QGZVFWFLSA-N 1 1 358.442 3.064 20 5 FGBDMO COCC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCC[C@H]1C ZINC000488009570 502598897 /nfs/dbraw/zinc/59/88/97/502598897.db2.gz NRKGJOOGDDUFBU-CXAGYDPISA-N 1 1 350.415 3.098 20 5 FGBDMO COc1ccc(F)c(N2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000484330363 502625773 /nfs/dbraw/zinc/62/57/73/502625773.db2.gz ZMOIDRFQOIXWAQ-UHFFFAOYSA-N 1 1 359.401 3.107 20 5 FGBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2cccc([N+](=O)[O-])c2NC)c1 ZINC000462930455 502630294 /nfs/dbraw/zinc/63/02/94/502630294.db2.gz BLXUGDSZSXUSLV-UHFFFAOYSA-N 1 1 356.426 3.018 20 5 FGBDMO Cn1cc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(C(F)F)n1 ZINC000462941722 502634890 /nfs/dbraw/zinc/63/48/90/502634890.db2.gz IYKAXXDFSRCLJU-UHFFFAOYSA-N 1 1 366.368 3.309 20 5 FGBDMO C[C@H](C[NH+]1CCCCCC1)N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000480672743 502638482 /nfs/dbraw/zinc/63/84/82/502638482.db2.gz ZXLXVDBQBUIOCI-JKSUJKDBSA-N 1 1 362.474 3.166 20 5 FGBDMO O=C1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CN1c1ccccc1F ZINC000463025144 502665527 /nfs/dbraw/zinc/66/55/27/502665527.db2.gz SBJKRQKVCNFFAT-GFCCVEGCSA-N 1 1 363.776 3.282 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000488457833 502720085 /nfs/dbraw/zinc/72/00/85/502720085.db2.gz MNEXGCMHOSFKBH-KXBFYZLASA-N 1 1 353.422 3.235 20 5 FGBDMO C[C@@H]1[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000588771197 506334098 /nfs/dbraw/zinc/33/40/98/506334098.db2.gz DMJROHBOIQRPNW-OXQOHEQNSA-N 1 1 367.449 3.307 20 5 FGBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ncc(-c4cccs4)o3)CC2)n1 ZINC000488710055 502787096 /nfs/dbraw/zinc/78/70/96/502787096.db2.gz DMLHERZCUJVXIZ-UHFFFAOYSA-N 1 1 359.411 3.345 20 5 FGBDMO COCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C[C@H]1CC=CCC1 ZINC000485095715 502814753 /nfs/dbraw/zinc/81/47/53/502814753.db2.gz OEMDMEDRUYXNEL-INIZCTEOSA-N 1 1 361.442 3.146 20 5 FGBDMO COc1ccc(C[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)cc1[N+](=O)[O-] ZINC000488965314 502848917 /nfs/dbraw/zinc/84/89/17/502848917.db2.gz LDWYLFASIJYPPQ-CQSZACIVSA-N 1 1 361.373 3.181 20 5 FGBDMO COc1ccc(C[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)cc1[N+](=O)[O-] ZINC000488965314 502848924 /nfs/dbraw/zinc/84/89/24/502848924.db2.gz LDWYLFASIJYPPQ-CQSZACIVSA-N 1 1 361.373 3.181 20 5 FGBDMO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1C ZINC000489069599 502873068 /nfs/dbraw/zinc/87/30/68/502873068.db2.gz YVBWHMFNXWBOQS-CQSZACIVSA-N 1 1 357.410 3.371 20 5 FGBDMO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1C ZINC000489069599 502873073 /nfs/dbraw/zinc/87/30/73/502873073.db2.gz YVBWHMFNXWBOQS-CQSZACIVSA-N 1 1 357.410 3.371 20 5 FGBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000509506925 502920813 /nfs/dbraw/zinc/92/08/13/502920813.db2.gz ZOVUBXVYRDMGOF-MAUKXSAKSA-N 1 1 353.422 3.089 20 5 FGBDMO COC(=O)c1c(Cl)c(NC[C@H]2CCCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000599142602 506342331 /nfs/dbraw/zinc/34/23/31/506342331.db2.gz YAWWMPUNQZFKEZ-LLVKDONJSA-N 1 1 355.822 3.179 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000489356064 502936486 /nfs/dbraw/zinc/93/64/86/502936486.db2.gz UTPWRZIBKZFVMK-KBMXLJTQSA-N 1 1 362.474 3.384 20 5 FGBDMO CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000513466959 502946770 /nfs/dbraw/zinc/94/67/70/502946770.db2.gz NJRJUBUURRGKTQ-QGZVFWFLSA-N 1 1 358.467 3.387 20 5 FGBDMO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CC1(C)C ZINC000489397671 502947572 /nfs/dbraw/zinc/94/75/72/502947572.db2.gz DYXAKVDVCVVEPY-GFCCVEGCSA-N 1 1 356.220 3.026 20 5 FGBDMO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CC1(C)C ZINC000489397671 502947576 /nfs/dbraw/zinc/94/75/76/502947576.db2.gz DYXAKVDVCVVEPY-GFCCVEGCSA-N 1 1 356.220 3.026 20 5 FGBDMO Cc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000501228323 502963659 /nfs/dbraw/zinc/96/36/59/502963659.db2.gz PEKIKHUQTHUYNH-CRAIPNDOSA-N 1 1 353.422 3.469 20 5 FGBDMO COCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)[C@H]1CCO[C@H]1C ZINC000489463038 502964448 /nfs/dbraw/zinc/96/44/48/502964448.db2.gz HAHLWSFAPTYPMI-YOEHRIQHSA-N 1 1 352.431 3.008 20 5 FGBDMO COCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)[C@H]1CCO[C@H]1C ZINC000489463038 502964450 /nfs/dbraw/zinc/96/44/50/502964450.db2.gz HAHLWSFAPTYPMI-YOEHRIQHSA-N 1 1 352.431 3.008 20 5 FGBDMO CC(C)(C)c1ccc(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@H](F)C2)cc1[N+](=O)[O-] ZINC000588816489 506344994 /nfs/dbraw/zinc/34/49/94/506344994.db2.gz SRGRSXCOARJKNR-HZPDHXFCSA-N 1 1 363.433 3.151 20 5 FGBDMO COc1ccc(CN2CC[NH+](C/C=C\c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000501627517 503051379 /nfs/dbraw/zinc/05/13/79/503051379.db2.gz NMPWYUYFIFFKGE-YVMONPNESA-N 1 1 367.449 3.434 20 5 FGBDMO C[N@H+]1CCCC[C@@H](CNC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000599156943 506351170 /nfs/dbraw/zinc/35/11/70/506351170.db2.gz LLXMYOCAXRPVQP-FUHWJXTLSA-N 1 1 374.485 3.216 20 5 FGBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCc3c(cnn3-c3ccccc3)C2)c1 ZINC000502077410 503139604 /nfs/dbraw/zinc/13/96/04/503139604.db2.gz KZBZRPLCVLLDOU-UHFFFAOYSA-N 1 1 364.405 3.218 20 5 FGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCc3c(cnn3-c3ccccc3)C2)c1 ZINC000502077410 503139608 /nfs/dbraw/zinc/13/96/08/503139608.db2.gz KZBZRPLCVLLDOU-UHFFFAOYSA-N 1 1 364.405 3.218 20 5 FGBDMO CC(C)[C@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000490296172 503149091 /nfs/dbraw/zinc/14/90/91/503149091.db2.gz FPLFJNNLXKWMEB-CQSZACIVSA-N 1 1 371.890 3.139 20 5 FGBDMO C[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C1=CC[N@@H+](C)CC1 ZINC000510788955 503192812 /nfs/dbraw/zinc/19/28/12/503192812.db2.gz WMAWCYSRBVHBEG-LBPRGKRZSA-N 1 1 372.450 3.099 20 5 FGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])[C@H]1CCCN(c2ccccc2)C1=O ZINC000511062225 503244730 /nfs/dbraw/zinc/24/47/30/503244730.db2.gz CRZBCAYQGPUISZ-IBGZPJMESA-N 1 1 353.422 3.265 20 5 FGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(Br)cn1 ZINC000511068133 503245784 /nfs/dbraw/zinc/24/57/84/503245784.db2.gz YSVNHCOEMCQMKM-UHFFFAOYSA-N 1 1 350.216 3.427 20 5 FGBDMO CCOC(=O)COc1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000507185982 503246390 /nfs/dbraw/zinc/24/63/90/503246390.db2.gz APFFQHYQRLCBKD-UHFFFAOYSA-N 1 1 358.394 3.169 20 5 FGBDMO CCOC(=O)COc1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000507185982 503246393 /nfs/dbraw/zinc/24/63/93/503246393.db2.gz APFFQHYQRLCBKD-UHFFFAOYSA-N 1 1 358.394 3.169 20 5 FGBDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000515100788 503271756 /nfs/dbraw/zinc/27/17/56/503271756.db2.gz KDUVPQSJHXNRJZ-PKOBYXMFSA-N 1 1 358.438 3.288 20 5 FGBDMO Cc1cc(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)cn2cc[nH+]c12 ZINC000502825829 503282024 /nfs/dbraw/zinc/28/20/24/503282024.db2.gz LRAOAFOYOSTFBN-UHFFFAOYSA-N 1 1 363.333 3.057 20 5 FGBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000515236365 503299321 /nfs/dbraw/zinc/29/93/21/503299321.db2.gz LCOGRSJSPJTVME-HNNXBMFYSA-N 1 1 364.446 3.380 20 5 FGBDMO Cn1cc(C[N@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000499213610 503355897 /nfs/dbraw/zinc/35/58/97/503355897.db2.gz NYEDOAPBVYNFRL-ZWKOTPCHSA-N 1 1 372.469 3.224 20 5 FGBDMO CCOc1cc(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000492481161 503371470 /nfs/dbraw/zinc/37/14/70/503371470.db2.gz CVRLGXMBTBTUFW-AWEZNQCLSA-N 1 1 350.415 3.157 20 5 FGBDMO CCOc1cc(C[N@H+](C)Cc2ccc(C(=O)OC)cc2)ccc1[N+](=O)[O-] ZINC000492517297 503373340 /nfs/dbraw/zinc/37/33/40/503373340.db2.gz XHZKPQMPHCUXES-UHFFFAOYSA-N 1 1 358.394 3.412 20 5 FGBDMO CCOc1cc(C[N@@H+](C)Cc2ccc(C(=O)OC)cc2)ccc1[N+](=O)[O-] ZINC000492517297 503373343 /nfs/dbraw/zinc/37/33/43/503373343.db2.gz XHZKPQMPHCUXES-UHFFFAOYSA-N 1 1 358.394 3.412 20 5 FGBDMO COc1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C2CC2)ccc1O ZINC000492678674 503379540 /nfs/dbraw/zinc/37/95/40/503379540.db2.gz FIFQKWXAKHYZNZ-UHFFFAOYSA-N 1 1 358.394 3.482 20 5 FGBDMO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000503263315 503380259 /nfs/dbraw/zinc/38/02/59/503380259.db2.gz MHMKLOSWSRJOQN-INIZCTEOSA-N 1 1 355.438 3.289 20 5 FGBDMO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000503263315 503380264 /nfs/dbraw/zinc/38/02/64/503380264.db2.gz MHMKLOSWSRJOQN-INIZCTEOSA-N 1 1 355.438 3.289 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000508126989 503436920 /nfs/dbraw/zinc/43/69/20/503436920.db2.gz GWISBSZIYIWIIU-CABCVRRESA-N 1 1 365.499 3.456 20 5 FGBDMO CCOCCC[N@H+]1CC[C@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])[C@@H](C)C1 ZINC000516193218 503466835 /nfs/dbraw/zinc/46/68/35/503466835.db2.gz IAGJKJVYTLLJGD-SNRMKQJTSA-N 1 1 361.486 3.309 20 5 FGBDMO C[C@@H]1[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1Cc1ccccc1 ZINC000494026266 503476041 /nfs/dbraw/zinc/47/60/41/503476041.db2.gz HTTRPCMEZDOKMY-KUHUBIRLSA-N 1 1 371.412 3.056 20 5 FGBDMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000512404471 503539172 /nfs/dbraw/zinc/53/91/72/503539172.db2.gz SKJGWJSPPJMCLW-UHFFFAOYSA-N 1 1 364.405 3.033 20 5 FGBDMO CC[N@@H+](CCC1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1)CC1CC1 ZINC000500055890 503541626 /nfs/dbraw/zinc/54/16/26/503541626.db2.gz QABPZWCMZGFKIG-UHFFFAOYSA-N 1 1 374.485 3.151 20 5 FGBDMO C[C@@H](NC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000516583606 503542293 /nfs/dbraw/zinc/54/22/93/503542293.db2.gz HNBHJEYCGSJBGX-LSDHHAIUSA-N 1 1 362.474 3.466 20 5 FGBDMO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000512468142 503561898 /nfs/dbraw/zinc/56/18/98/503561898.db2.gz IFWBHBQTIFBLDI-CHWSQXEVSA-N 1 1 369.849 3.202 20 5 FGBDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000512468142 503561902 /nfs/dbraw/zinc/56/19/02/503561902.db2.gz IFWBHBQTIFBLDI-CHWSQXEVSA-N 1 1 369.849 3.202 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000494609887 503572844 /nfs/dbraw/zinc/57/28/44/503572844.db2.gz VBNBPJNZTDFNFA-MRXNPFEDSA-N 1 1 373.409 3.153 20 5 FGBDMO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000500443018 503626319 /nfs/dbraw/zinc/62/63/19/503626319.db2.gz SGEXYCIXTDYMRZ-GJZGRUSLSA-N 1 1 371.412 3.469 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000500443018 503626322 /nfs/dbraw/zinc/62/63/22/503626322.db2.gz SGEXYCIXTDYMRZ-GJZGRUSLSA-N 1 1 371.412 3.469 20 5 FGBDMO Cc1c(CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000517195989 503668264 /nfs/dbraw/zinc/66/82/64/503668264.db2.gz XHRTXNLNSKBPTI-APWZRJJASA-N 1 1 367.449 3.225 20 5 FGBDMO Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000536679798 503676801 /nfs/dbraw/zinc/67/68/01/503676801.db2.gz OFRYZDRWOVEJQN-HNNXBMFYSA-N 1 1 372.473 3.245 20 5 FGBDMO C[C@@H]1Cc2ccccc2C[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000532979207 503684603 /nfs/dbraw/zinc/68/46/03/503684603.db2.gz UUZMSSVSAIXKEK-CQSZACIVSA-N 1 1 367.405 3.340 20 5 FGBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000517557947 503770229 /nfs/dbraw/zinc/77/02/29/503770229.db2.gz ZJUHXBNHANWQRF-CQSZACIVSA-N 1 1 354.410 3.115 20 5 FGBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000517557947 503770234 /nfs/dbraw/zinc/77/02/34/503770234.db2.gz ZJUHXBNHANWQRF-CQSZACIVSA-N 1 1 354.410 3.115 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000533246631 503774103 /nfs/dbraw/zinc/77/41/03/503774103.db2.gz QCTRJAGIPWFUIW-MRXNPFEDSA-N 1 1 368.437 3.134 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCCN(c2ccccc2)CC1 ZINC000533246631 503774106 /nfs/dbraw/zinc/77/41/06/503774106.db2.gz QCTRJAGIPWFUIW-MRXNPFEDSA-N 1 1 368.437 3.134 20 5 FGBDMO CC(C)[C@H]1CCC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000533280626 503789864 /nfs/dbraw/zinc/78/98/64/503789864.db2.gz LJHRIZOOQCXQML-ZDUSSCGKSA-N 1 1 363.414 3.020 20 5 FGBDMO CC(C)[C@H]1CCC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000533280626 503789867 /nfs/dbraw/zinc/78/98/67/503789867.db2.gz LJHRIZOOQCXQML-ZDUSSCGKSA-N 1 1 363.414 3.020 20 5 FGBDMO O=C(C[N@H+]1CC[C@H](Cc2ccccc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000533293924 503795955 /nfs/dbraw/zinc/79/59/55/503795955.db2.gz ZYVPGEOLJFHIFK-QGZVFWFLSA-N 1 1 365.433 3.049 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000533375286 503822124 /nfs/dbraw/zinc/82/21/24/503822124.db2.gz NPIFFPRSCGHOIL-IXDOHACOSA-N 1 1 374.485 3.179 20 5 FGBDMO Cc1ccccc1[C@@H]1CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000533401476 503831524 /nfs/dbraw/zinc/83/15/24/503831524.db2.gz QXKMOYJKVJEJCB-OXQOHEQNSA-N 1 1 365.433 3.498 20 5 FGBDMO CC[C@H](C)[C@H]1CCCC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000533426503 503841460 /nfs/dbraw/zinc/84/14/60/503841460.db2.gz JTZDJSWXRHZXJG-GXTWGEPZSA-N 1 1 363.414 3.163 20 5 FGBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@H](COC)C2)cc1OC ZINC000543844614 503912743 /nfs/dbraw/zinc/91/27/43/503912743.db2.gz WZPCALDHJWEDSL-CABCVRRESA-N 1 1 366.458 3.497 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000530330561 503928081 /nfs/dbraw/zinc/92/80/81/503928081.db2.gz FMSWKRSFZOKSRD-NSHDSACASA-N 1 1 354.453 3.219 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000537522800 503942805 /nfs/dbraw/zinc/94/28/05/503942805.db2.gz DBIUTTQNWXHPSJ-SFHVURJKSA-N 1 1 361.442 3.123 20 5 FGBDMO 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ZINC000537823959 504054446 /nfs/dbraw/zinc/05/44/46/504054446.db2.gz WQZMPTPAGUARSN-KBPBESRZSA-N 1 1 355.442 3.143 20 5 FGBDMO CCc1ccc([C@@H]([NH2+][C@H]2CCN(C(C)=O)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544380848 504110760 /nfs/dbraw/zinc/11/07/60/504110760.db2.gz DOTWEABPDPNNAP-KXBFYZLASA-N 1 1 357.410 3.050 20 5 FGBDMO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1cccc(OCc2ccccn2)c1 ZINC000538154700 504147927 /nfs/dbraw/zinc/14/79/27/504147927.db2.gz GYSLESMSBVMNHR-AWEZNQCLSA-N 1 1 367.409 3.153 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000538248773 504176914 /nfs/dbraw/zinc/17/69/14/504176914.db2.gz HYFYJRRYSCKOLR-UHFFFAOYSA-N 1 1 369.421 3.492 20 5 FGBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)C2CC(O)C2)c([N+](=O)[O-])c1 ZINC000544749177 504244419 /nfs/dbraw/zinc/24/44/19/504244419.db2.gz QBNKCXOFDHUFKR-LADRWXRNSA-N 1 1 369.421 3.038 20 5 FGBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+](C)C2CC(O)C2)c([N+](=O)[O-])c1 ZINC000544749177 504244424 /nfs/dbraw/zinc/24/44/24/504244424.db2.gz QBNKCXOFDHUFKR-LADRWXRNSA-N 1 1 369.421 3.038 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000541887033 504290214 /nfs/dbraw/zinc/29/02/14/504290214.db2.gz QLUGSOQVTJOWTP-CYBMUJFWSA-N 1 1 351.472 3.169 20 5 FGBDMO CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000548088360 504325133 /nfs/dbraw/zinc/32/51/33/504325133.db2.gz SUGVCUXZMQSTRT-AWEZNQCLSA-N 1 1 361.377 3.189 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000538746941 504355055 /nfs/dbraw/zinc/35/50/55/504355055.db2.gz PRXIARSVSMXBGB-UHFFFAOYSA-N 1 1 367.449 3.308 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000538746941 504355062 /nfs/dbraw/zinc/35/50/62/504355062.db2.gz PRXIARSVSMXBGB-UHFFFAOYSA-N 1 1 367.449 3.308 20 5 FGBDMO C[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[N@H+]1CCC[C@@H](C)C1 ZINC000545163223 504381742 /nfs/dbraw/zinc/38/17/42/504381742.db2.gz BYDIVEKCNGCBSF-KGLIPLIRSA-N 1 1 365.449 3.248 20 5 FGBDMO C[C@@H]1c2c(F)cccc2CC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000542278748 504436610 /nfs/dbraw/zinc/43/66/10/504436610.db2.gz LCMDJVMCUWZWPZ-HIFRSBDPSA-N 1 1 360.385 3.093 20 5 FGBDMO C[C@@H]1c2c(F)cccc2CC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000542278748 504436614 /nfs/dbraw/zinc/43/66/14/504436614.db2.gz LCMDJVMCUWZWPZ-HIFRSBDPSA-N 1 1 360.385 3.093 20 5 FGBDMO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000548454164 504451788 /nfs/dbraw/zinc/45/17/88/504451788.db2.gz KBVHZTNKQANJOI-GOEBONIOSA-N 1 1 365.499 3.408 20 5 FGBDMO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000548454462 504452070 /nfs/dbraw/zinc/45/20/70/504452070.db2.gz WTLCZOPDCXJTAA-KRWDZBQOSA-N 1 1 374.485 3.141 20 5 FGBDMO CCOc1ccc([C@@H](C)[NH2+][C@@H](CO)c2ccccc2OC)cc1[N+](=O)[O-] ZINC000539085633 504468085 /nfs/dbraw/zinc/46/80/85/504468085.db2.gz QZCUSWQSDZRMRW-CJNGLKHVSA-N 1 1 360.410 3.386 20 5 FGBDMO CCOc1ccc([C@H](C)[NH2+][C@H](CO)c2ccccc2OC)cc1[N+](=O)[O-] ZINC000539085635 504468150 /nfs/dbraw/zinc/46/81/50/504468150.db2.gz QZCUSWQSDZRMRW-XJKSGUPXSA-N 1 1 360.410 3.386 20 5 FGBDMO CCc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000535554183 504469023 /nfs/dbraw/zinc/46/90/23/504469023.db2.gz RQOGUXWRCFEHDD-PKOBYXMFSA-N 1 1 353.422 3.332 20 5 FGBDMO COc1ccc(-c2ccc(C[NH2+][C@@H]3CCc4cn[nH]c4C3)o2)c([N+](=O)[O-])c1 ZINC000532074722 504527533 /nfs/dbraw/zinc/52/75/33/504527533.db2.gz DMFSTVHPCDVKDE-CYBMUJFWSA-N 1 1 368.393 3.234 20 5 FGBDMO C[C@@H](C(=O)N1CCc2ccccc2C1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000548927539 504622531 /nfs/dbraw/zinc/62/25/31/504622531.db2.gz LWWLFDQGGYVORY-INIZCTEOSA-N 1 1 367.449 3.043 20 5 FGBDMO CCOC(=O)C1CCC([N@@H+](CC)CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000548939945 504628994 /nfs/dbraw/zinc/62/89/94/504628994.db2.gz OVNZAAFSBGSSLX-UHFFFAOYSA-N 1 1 364.442 3.417 20 5 FGBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@H](C)[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000532471724 504662029 /nfs/dbraw/zinc/66/20/29/504662029.db2.gz VCRPNVDFYCVYDB-JLJPHGGASA-N 1 1 361.442 3.443 20 5 FGBDMO CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000542959330 504672466 /nfs/dbraw/zinc/67/24/66/504672466.db2.gz RTAHYADPLNUPJZ-AWEZNQCLSA-N 1 1 373.413 3.059 20 5 FGBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+](C)CC2(O)CCC2)cc1OC ZINC000546094310 504708892 /nfs/dbraw/zinc/70/88/92/504708892.db2.gz UQIDSDNGAHFKBD-CQSZACIVSA-N 1 1 366.458 3.375 20 5 FGBDMO CC1(C)Cc2cc(C[N@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)ccc2O1 ZINC000539834809 504710684 /nfs/dbraw/zinc/71/06/84/504710684.db2.gz MQUCRXNHCAWQGW-MRXNPFEDSA-N 1 1 368.437 3.390 20 5 FGBDMO Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000549173661 504712519 /nfs/dbraw/zinc/71/25/19/504712519.db2.gz UCSWDNNKUTZOEA-QGZVFWFLSA-N 1 1 369.465 3.425 20 5 FGBDMO COC(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000539838551 504712795 /nfs/dbraw/zinc/71/27/95/504712795.db2.gz WNSMTVMFTZFPHM-ZDUSSCGKSA-N 1 1 374.393 3.391 20 5 FGBDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000536623164 504771037 /nfs/dbraw/zinc/77/10/37/504771037.db2.gz DAGWNSGJKLBQRA-LSDHHAIUSA-N 1 1 353.422 3.355 20 5 FGBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000536623164 504771038 /nfs/dbraw/zinc/77/10/38/504771038.db2.gz DAGWNSGJKLBQRA-LSDHHAIUSA-N 1 1 353.422 3.355 20 5 FGBDMO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000562392805 504804883 /nfs/dbraw/zinc/80/48/83/504804883.db2.gz IFBWOXJYDLAWRR-CRAIPNDOSA-N 1 1 353.422 3.089 20 5 FGBDMO COCCn1cc2c(n1)[C@@H]([NH2+][C@H]1CCc3c1cccc3[N+](=O)[O-])CCC2 ZINC000565218753 504828042 /nfs/dbraw/zinc/82/80/42/504828042.db2.gz ZXSVGBPHPIKJHL-IRXDYDNUSA-N 1 1 356.426 3.092 20 5 FGBDMO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC[N@@H+](CC2CCC2)CC1 ZINC000549728991 504882386 /nfs/dbraw/zinc/88/23/86/504882386.db2.gz RMUOTWHMANYGOX-UHFFFAOYSA-N 1 1 351.834 3.196 20 5 FGBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000553351777 504890596 /nfs/dbraw/zinc/89/05/96/504890596.db2.gz CCZWXYNCGSLVGQ-HNNXBMFYSA-N 1 1 374.466 3.323 20 5 FGBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000550123459 504971664 /nfs/dbraw/zinc/97/16/64/504971664.db2.gz SFJRNRGKNOSGOV-UHFFFAOYSA-N 1 1 365.861 3.125 20 5 FGBDMO C[C@@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000556889304 505007543 /nfs/dbraw/zinc/00/75/43/505007543.db2.gz CJBLFNZJFXZAGR-WFASDCNBSA-N 1 1 357.439 3.268 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000556992371 505039447 /nfs/dbraw/zinc/03/94/47/505039447.db2.gz PJNLAPGOXHSUNJ-UHFFFAOYSA-N 1 1 361.442 3.011 20 5 FGBDMO C[N@@H+]1CCO[C@H](CSCc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000566213940 505113743 /nfs/dbraw/zinc/11/37/43/505113743.db2.gz BTVQBEHELZZGOI-LBPRGKRZSA-N 1 1 350.362 3.177 20 5 FGBDMO C[N@H+]1CCO[C@H](CSCc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000566213940 505113753 /nfs/dbraw/zinc/11/37/53/505113753.db2.gz BTVQBEHELZZGOI-LBPRGKRZSA-N 1 1 350.362 3.177 20 5 FGBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[N@H+]1C ZINC000551041539 505146270 /nfs/dbraw/zinc/14/62/70/505146270.db2.gz XLUXMTMTRHBJSN-MNOVXSKESA-N 1 1 359.348 3.168 20 5 FGBDMO CC(C)[N@H+](Cc1cccc(F)c1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000563771596 505233584 /nfs/dbraw/zinc/23/35/84/505233584.db2.gz WXPIIYNWPGBEKV-KRWDZBQOSA-N 1 1 362.401 3.384 20 5 FGBDMO O=C(NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000561088081 505247587 /nfs/dbraw/zinc/24/75/87/505247587.db2.gz ODTBYNZCNGKIPM-SFHVURJKSA-N 1 1 365.389 3.449 20 5 FGBDMO CSc1cccc(C(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000558011046 505284162 /nfs/dbraw/zinc/28/41/62/505284162.db2.gz LZBSRWKTSOHFNR-VNHYZAJKSA-N 1 1 363.483 3.119 20 5 FGBDMO CCO[C@@H](CC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000563984741 505295040 /nfs/dbraw/zinc/29/50/40/505295040.db2.gz VZGCPFUCDJDQEI-ZWKOTPCHSA-N 1 1 360.458 3.459 20 5 FGBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[NH+](CCc2cccs2)CC1 ZINC000564043862 505309263 /nfs/dbraw/zinc/30/92/63/505309263.db2.gz JDHBJRXMGIIYQR-UHFFFAOYSA-N 1 1 359.451 3.224 20 5 FGBDMO CCCN(CC[NH+]1CCCCCC1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000555111718 505352290 /nfs/dbraw/zinc/35/22/90/505352290.db2.gz ZWTPRFXIAZVFMD-UHFFFAOYSA-N 1 1 373.457 3.199 20 5 FGBDMO CCC(=O)N1CC[C@@H]([NH2+][C@H](c2ccc(CC)o2)c2ccc([N+](=O)[O-])cc2)C1 ZINC000558334721 505362375 /nfs/dbraw/zinc/36/23/75/505362375.db2.gz WZMUMMXMCJVFIM-QRWLVFNGSA-N 1 1 371.437 3.440 20 5 FGBDMO COc1ccccc1CC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000552040286 505378503 /nfs/dbraw/zinc/37/85/03/505378503.db2.gz VZWAVOHCRGCDRZ-IBGZPJMESA-N 1 1 366.421 3.259 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cc(O)cc(C(F)(F)F)c3)nc2c1 ZINC000564537534 505446072 /nfs/dbraw/zinc/44/60/72/505446072.db2.gz YFASBFLNOGCCIG-UHFFFAOYSA-N 1 1 366.299 3.485 20 5 FGBDMO Cn1cc(C[N@H+]2CC[C@H](COC(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000561975470 505482542 /nfs/dbraw/zinc/48/25/42/505482542.db2.gz WNPGGBRMEHUYSL-LBPRGKRZSA-N 1 1 366.368 3.056 20 5 FGBDMO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])o1 ZINC000562187521 505535623 /nfs/dbraw/zinc/53/56/23/505535623.db2.gz YYEDAJGHCKRLFN-MRXNPFEDSA-N 1 1 357.410 3.220 20 5 FGBDMO CC(C)(C)c1ccc(NC(=O)CCCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000552740686 505547191 /nfs/dbraw/zinc/54/71/91/505547191.db2.gz KIFNLSODRZGJLY-UHFFFAOYSA-N 1 1 363.458 3.333 20 5 FGBDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000596471566 506424042 /nfs/dbraw/zinc/42/40/42/506424042.db2.gz XYEZERVTJNBUBM-IBGZPJMESA-N 1 1 368.437 3.376 20 5 FGBDMO C[NH+](C)Cc1cc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)ccn1 ZINC000603141605 506436300 /nfs/dbraw/zinc/43/63/00/506436300.db2.gz GFINHPGAUDYHIR-UHFFFAOYSA-N 1 1 369.425 3.248 20 5 FGBDMO C[C@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000593173630 506440192 /nfs/dbraw/zinc/44/01/92/506440192.db2.gz RSWMMBLNMSUDTA-HNNXBMFYSA-N 1 1 371.412 3.009 20 5 FGBDMO C[C@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000593173630 506440196 /nfs/dbraw/zinc/44/01/96/506440196.db2.gz RSWMMBLNMSUDTA-HNNXBMFYSA-N 1 1 371.412 3.009 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](c2ccccn2)C2CCC2)c1 ZINC000599574292 506506334 /nfs/dbraw/zinc/50/63/34/506506334.db2.gz QZVFGUQEBXWXKE-GOSISDBHSA-N 1 1 355.394 3.407 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000596657161 506514096 /nfs/dbraw/zinc/51/40/96/506514096.db2.gz JKJLLJANKSQQEC-LLVKDONJSA-N 1 1 372.372 3.191 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@@H]2C[C@@](C)(OC)C2(C)C)c1 ZINC000589501890 506570450 /nfs/dbraw/zinc/57/04/50/506570450.db2.gz YEKRNKTUOHDRAY-CRAIPNDOSA-N 1 1 350.415 3.017 20 5 FGBDMO C/C=C/C[C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000599692823 506584843 /nfs/dbraw/zinc/58/48/43/506584843.db2.gz XZOZIQOHUHQZDM-XYBNCVKDSA-N 1 1 352.456 3.047 20 5 FGBDMO C/C=C/C[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000599692823 506584846 /nfs/dbraw/zinc/58/48/46/506584846.db2.gz XZOZIQOHUHQZDM-XYBNCVKDSA-N 1 1 352.456 3.047 20 5 FGBDMO CC(C)C[N@@H+](C)CCCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000593422093 506611115 /nfs/dbraw/zinc/61/11/15/506611115.db2.gz IBMWCMXKZCQCOU-UHFFFAOYSA-N 1 1 364.490 3.493 20 5 FGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000603783034 506617486 /nfs/dbraw/zinc/61/74/86/506617486.db2.gz BVNPYEUQIQPKNN-AWEZNQCLSA-N 1 1 373.375 3.305 20 5 FGBDMO O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000599834955 506668521 /nfs/dbraw/zinc/66/85/21/506668521.db2.gz QDKZFYFJMOGLRC-WMZOPIPTSA-N 1 1 369.425 3.281 20 5 FGBDMO CCCN(C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)[C@H]1CC[N@@H+](C)C1 ZINC000599837419 506669748 /nfs/dbraw/zinc/66/97/48/506669748.db2.gz DHUKIYZMZGLHAT-ZDUSSCGKSA-N 1 1 357.414 3.091 20 5 FGBDMO CC(C)(C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000590380621 506806965 /nfs/dbraw/zinc/80/69/65/506806965.db2.gz ZXRIWBRLEHUPKP-UHFFFAOYSA-N 1 1 367.449 3.330 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+]3C[C@@H]4COC[C@@]4(C)C3)o2)c([N+](=O)[O-])c1 ZINC000597210500 506837302 /nfs/dbraw/zinc/83/73/02/506837302.db2.gz HOMZLJGXRGTOQN-BFUOFWGJSA-N 1 1 358.394 3.332 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCCc3c(F)cccc3F)CC2)cn1 ZINC000593939555 506838447 /nfs/dbraw/zinc/83/84/47/506838447.db2.gz FGDCKAHCCVRTPU-UHFFFAOYSA-N 1 1 362.380 3.023 20 5 FGBDMO Cn1cc(C[N@@H+]2CCc3c(O)cccc3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600207874 506846292 /nfs/dbraw/zinc/84/62/92/506846292.db2.gz OZGSCLBLYMXSSF-UHFFFAOYSA-N 1 1 364.405 3.259 20 5 FGBDMO Cn1cc(C[N@H+]2CCc3c(O)cccc3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600207874 506846298 /nfs/dbraw/zinc/84/62/98/506846298.db2.gz OZGSCLBLYMXSSF-UHFFFAOYSA-N 1 1 364.405 3.259 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+]3C[C@H](C)[C@](C)(CO)C3)o2)c([N+](=O)[O-])c1 ZINC000597234877 506851512 /nfs/dbraw/zinc/85/15/12/506851512.db2.gz CMVWQBWWIVOMDT-DJJJIMSYSA-N 1 1 360.410 3.314 20 5 FGBDMO O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000604504581 506854570 /nfs/dbraw/zinc/85/45/70/506854570.db2.gz NBJFCEPEOSBFMD-SFHVURJKSA-N 1 1 365.433 3.396 20 5 FGBDMO COC(=O)c1c(Cl)c(NCC[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000590572696 506865373 /nfs/dbraw/zinc/86/53/73/506865373.db2.gz QGJQMOKOUKIKGB-NSHDSACASA-N 1 1 355.822 3.179 20 5 FGBDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000604546891 506869988 /nfs/dbraw/zinc/86/99/88/506869988.db2.gz GOOKJFKADJSPCU-UHFFFAOYSA-N 1 1 358.442 3.413 20 5 FGBDMO Cn1cncc1CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000594014469 506883182 /nfs/dbraw/zinc/88/31/82/506883182.db2.gz RGQMGDVPIADSNG-UAPYVXQJSA-N 1 1 372.469 3.067 20 5 FGBDMO C[N@H+]1CCCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000600313677 506900646 /nfs/dbraw/zinc/90/06/46/506900646.db2.gz JFMSAKFZTPJPKR-NSHDSACASA-N 1 1 359.348 3.075 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](c3ccco3)C2)c([N+](=O)[O-])c1 ZINC000609540438 506914707 /nfs/dbraw/zinc/91/47/07/506914707.db2.gz XSIHYZUWYVVQCU-ZDUSSCGKSA-N 1 1 359.382 3.015 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](c3ccco3)C2)c([N+](=O)[O-])c1 ZINC000609540438 506914715 /nfs/dbraw/zinc/91/47/15/506914715.db2.gz XSIHYZUWYVVQCU-ZDUSSCGKSA-N 1 1 359.382 3.015 20 5 FGBDMO C[C@H](c1cn(-c2ccccc2)nn1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000583824691 506994791 /nfs/dbraw/zinc/99/47/91/506994791.db2.gz GDNLPWTZVQIVLE-OAHLLOKOSA-N 1 1 351.410 3.411 20 5 FGBDMO C[C@H](c1cn(-c2ccccc2)nn1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000583824691 506994794 /nfs/dbraw/zinc/99/47/94/506994794.db2.gz GDNLPWTZVQIVLE-OAHLLOKOSA-N 1 1 351.410 3.411 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1N(C)C ZINC000583835602 506999935 /nfs/dbraw/zinc/99/99/35/506999935.db2.gz MDUQKYGMGWOJMR-CQSZACIVSA-N 1 1 356.426 3.120 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1N(C)C ZINC000583835602 506999941 /nfs/dbraw/zinc/99/99/41/506999941.db2.gz MDUQKYGMGWOJMR-CQSZACIVSA-N 1 1 356.426 3.120 20 5 FGBDMO C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000583898791 507039146 /nfs/dbraw/zinc/03/91/46/507039146.db2.gz LZULQLDDYCXUMY-HOTGVXAUSA-N 1 1 371.437 3.150 20 5 FGBDMO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000613383411 507061589 /nfs/dbraw/zinc/06/15/89/507061589.db2.gz QKEYYBRIPMKWEW-CYBMUJFWSA-N 1 1 368.405 3.154 20 5 FGBDMO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000613383411 507061596 /nfs/dbraw/zinc/06/15/96/507061596.db2.gz QKEYYBRIPMKWEW-CYBMUJFWSA-N 1 1 368.405 3.154 20 5 FGBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000594284409 507063429 /nfs/dbraw/zinc/06/34/29/507063429.db2.gz XCOAITLUWUPADP-RTBURBONSA-N 1 1 372.469 3.286 20 5 FGBDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc3cc([N+](=O)[O-])ccc3s1)C2 ZINC000597716755 507072706 /nfs/dbraw/zinc/07/27/06/507072706.db2.gz UCERLDHEBBNFGW-GOSISDBHSA-N 1 1 359.451 3.367 20 5 FGBDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C2 ZINC000597716759 507073144 /nfs/dbraw/zinc/07/31/44/507073144.db2.gz UCHZTUGERUTXQS-INIZCTEOSA-N 1 1 371.359 3.172 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](Cc1ccc(C)o1)C1CC1 ZINC000591011271 507077196 /nfs/dbraw/zinc/07/71/96/507077196.db2.gz MAQXVOLDVLSTNN-UHFFFAOYSA-N 1 1 373.409 3.498 20 5 FGBDMO O=[N+]([O-])c1cnc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c(F)c1 ZINC000591155148 507136543 /nfs/dbraw/zinc/13/65/43/507136543.db2.gz QKJGUPVSIZUWHI-QGPMSJSTSA-N 1 1 356.401 3.451 20 5 FGBDMO CC(C)Oc1cc(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000597859930 507137424 /nfs/dbraw/zinc/13/74/24/507137424.db2.gz IEQBAXSTBDDXDN-CQSZACIVSA-N 1 1 363.458 3.232 20 5 FGBDMO CC(C)(C)c1ccncc1C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591263803 507174262 /nfs/dbraw/zinc/17/42/62/507174262.db2.gz XWXBJXFSYTWAPT-UHFFFAOYSA-N 1 1 357.410 3.348 20 5 FGBDMO Cc1[nH+]cn(CCCCc2noc(-c3cc([N+](=O)[O-])cnc3C)n2)c1C ZINC000594535553 507174943 /nfs/dbraw/zinc/17/49/43/507174943.db2.gz YOFGUKFQGYGOAL-UHFFFAOYSA-N 1 1 356.386 3.184 20 5 FGBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000610446054 507243195 /nfs/dbraw/zinc/24/31/95/507243195.db2.gz ONHZATFJMWMQTL-QGZVFWFLSA-N 1 1 367.449 3.260 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC(OC[C@@H]4CCOC4)CC3)c2c1 ZINC000601140826 507276293 /nfs/dbraw/zinc/27/62/93/507276293.db2.gz BRRJHFMQNQTPAF-CQSZACIVSA-N 1 1 357.410 3.165 20 5 FGBDMO Cc1nn(-c2ccccc2)cc1C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601149132 507276765 /nfs/dbraw/zinc/27/67/65/507276765.db2.gz JECTYSLWJSWINS-HXUWFJFHSA-N 1 1 366.421 3.086 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@H](C(F)(F)F)[C@@H](CO)C3)c2c1 ZINC000601164902 507284292 /nfs/dbraw/zinc/28/42/92/507284292.db2.gz HZYXMNXESDITGJ-MFKMUULPSA-N 1 1 355.316 3.140 20 5 FGBDMO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000598218543 507323337 /nfs/dbraw/zinc/32/33/37/507323337.db2.gz HPNKERBXHNZCBN-ZDUSSCGKSA-N 1 1 356.426 3.213 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000595038342 507362918 /nfs/dbraw/zinc/36/29/18/507362918.db2.gz LUVOHJXFPSLFAT-STQMWFEESA-N 1 1 373.384 3.199 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000584520864 507391352 /nfs/dbraw/zinc/39/13/52/507391352.db2.gz KCRTYLZFGQJRHY-RDJZCZTQSA-N 1 1 356.426 3.109 20 5 FGBDMO COc1cc(C[N@H+]2CCCN3c4ccccc4C[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000584683481 507447730 /nfs/dbraw/zinc/44/77/30/507447730.db2.gz PGMCKONDXKKEJQ-MRXNPFEDSA-N 1 1 371.412 3.380 20 5 FGBDMO Cc1noc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000595345116 507465949 /nfs/dbraw/zinc/46/59/49/507465949.db2.gz MWKFKNGUAZEHRU-ZWKOTPCHSA-N 1 1 370.453 3.378 20 5 FGBDMO O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000598509784 507466361 /nfs/dbraw/zinc/46/63/61/507466361.db2.gz MMMBVOBBKRMRCT-HNNXBMFYSA-N 1 1 364.405 3.080 20 5 FGBDMO CSc1cccc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000598510184 507466979 /nfs/dbraw/zinc/46/69/79/507466979.db2.gz NZYNLUDKNUVXMO-HNNXBMFYSA-N 1 1 371.462 3.321 20 5 FGBDMO CSc1cccc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000598510184 507466982 /nfs/dbraw/zinc/46/69/82/507466982.db2.gz NZYNLUDKNUVXMO-HNNXBMFYSA-N 1 1 371.462 3.321 20 5 FGBDMO COCC[N@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000592094054 507480931 /nfs/dbraw/zinc/48/09/31/507480931.db2.gz FUGXAYCDFYFVEU-QGZVFWFLSA-N 1 1 363.461 3.229 20 5 FGBDMO O=C1CCCN1C[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000595409667 507485033 /nfs/dbraw/zinc/48/50/33/507485033.db2.gz FPWJBMIBPZLODM-KRWDZBQOSA-N 1 1 357.385 3.187 20 5 FGBDMO CC[C@H](CC(F)F)C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000595505502 507533915 /nfs/dbraw/zinc/53/39/15/507533915.db2.gz SISBMQWCXCIIBQ-CYBMUJFWSA-N 1 1 355.385 3.034 20 5 FGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595503801 507534935 /nfs/dbraw/zinc/53/49/35/507534935.db2.gz CDFXCMQBRQSXRU-LIRRHRJNSA-N 1 1 371.441 3.124 20 5 FGBDMO COC(=O)c1cc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])n2c1CCCC2 ZINC000598671784 507544245 /nfs/dbraw/zinc/54/42/45/507544245.db2.gz GSPVSJDNECLYHF-UHFFFAOYSA-N 1 1 371.437 3.194 20 5 FGBDMO Cc1ccc([C@@H](C)NC(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000595545181 507553453 /nfs/dbraw/zinc/55/34/53/507553453.db2.gz PUHHXXBBWDJDLT-NVXWUHKLSA-N 1 1 374.485 3.385 20 5 FGBDMO Cc1noc(C[N@@H+]2CCCC[C@H]2CCC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000595545076 507554270 /nfs/dbraw/zinc/55/42/70/507554270.db2.gz ZHDLOLPMNCRQGD-ZDUSSCGKSA-N 1 1 353.419 3.368 20 5 FGBDMO Cc1noc(C[N@H+]2CCCC[C@H]2CCC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000595545076 507554277 /nfs/dbraw/zinc/55/42/77/507554277.db2.gz ZHDLOLPMNCRQGD-ZDUSSCGKSA-N 1 1 353.419 3.368 20 5 FGBDMO Cc1noc(CN(C(C)C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000595556948 507558778 /nfs/dbraw/zinc/55/87/78/507558778.db2.gz HDSCJTWNMHBGQD-QGZVFWFLSA-N 1 1 358.442 3.376 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCCN(c3ccccc3)CC1)OCCO2 ZINC000611264148 507589802 /nfs/dbraw/zinc/58/98/02/507589802.db2.gz IYAZXFZWUUNZPZ-UHFFFAOYSA-N 1 1 369.421 3.078 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@@H](n3cnc4c3CCCC4)C2)c([N+](=O)[O-])cc1F ZINC000614741420 507639646 /nfs/dbraw/zinc/63/96/46/507639646.db2.gz ZGVHHIFAVQEKEI-CQSZACIVSA-N 1 1 374.416 3.265 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@H](n3cnc4c3CCCC4)C2)c([N+](=O)[O-])cc1F ZINC000614741420 507639652 /nfs/dbraw/zinc/63/96/52/507639652.db2.gz ZGVHHIFAVQEKEI-CQSZACIVSA-N 1 1 374.416 3.265 20 5 FGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000595784526 507683912 /nfs/dbraw/zinc/68/39/12/507683912.db2.gz AXERGSJDLUTCSW-RDTXWAMCSA-N 1 1 361.442 3.203 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3nc4c(s3)CCCC4)C2)nc1 ZINC000611464558 507691969 /nfs/dbraw/zinc/69/19/69/507691969.db2.gz WCUUVTDQCFXFOW-GFCCVEGCSA-N 1 1 359.455 3.012 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3nc4c(s3)CCCC4)C2)nc1 ZINC000611464558 507691972 /nfs/dbraw/zinc/69/19/72/507691972.db2.gz WCUUVTDQCFXFOW-GFCCVEGCSA-N 1 1 359.455 3.012 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](N(C)c2ccccc2)C1 ZINC000595826172 507703881 /nfs/dbraw/zinc/70/38/81/507703881.db2.gz JZJOWBJBQVGUDY-NVXWUHKLSA-N 1 1 368.437 3.133 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](N(C)c2ccccc2)C1 ZINC000595826172 507703885 /nfs/dbraw/zinc/70/38/85/507703885.db2.gz JZJOWBJBQVGUDY-NVXWUHKLSA-N 1 1 368.437 3.133 20 5 FGBDMO COC(=O)CC[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000611515436 507715960 /nfs/dbraw/zinc/71/59/60/507715960.db2.gz MHPXHSXUHHMDCC-UHFFFAOYSA-N 1 1 358.394 3.169 20 5 FGBDMO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602472363 507720970 /nfs/dbraw/zinc/72/09/70/507720970.db2.gz GFNXDYVMLIOLQG-CQSZACIVSA-N 1 1 371.359 3.200 20 5 FGBDMO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602472363 507720972 /nfs/dbraw/zinc/72/09/72/507720972.db2.gz GFNXDYVMLIOLQG-CQSZACIVSA-N 1 1 371.359 3.200 20 5 FGBDMO Cn1ccnc1[C@H](C1CC1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602478153 507721113 /nfs/dbraw/zinc/72/11/13/507721113.db2.gz VPQLCTDICYWISN-SFHVURJKSA-N 1 1 356.426 3.323 20 5 FGBDMO CCC1(O)CCC([NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000611560858 507739478 /nfs/dbraw/zinc/73/94/78/507739478.db2.gz RFBHLWLJVGKXGZ-RMXPPQQLSA-N 1 1 358.442 3.091 20 5 FGBDMO O=[N+]([O-])c1sccc1N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000588070525 507751983 /nfs/dbraw/zinc/75/19/83/507751983.db2.gz NNIXAZDWWWFZEL-QGZVFWFLSA-N 1 1 372.494 3.053 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cc(F)ccc1-c1nn[nH]n1)C1CC1 ZINC000826500138 607524505 /nfs/dbraw/zinc/52/45/05/607524505.db2.gz MMEDAWKWQNQNDP-UHFFFAOYSA-N 1 1 368.372 3.079 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cc(F)ccc1-c1nn[nH]n1)C1CC1 ZINC000826500138 607524507 /nfs/dbraw/zinc/52/45/07/607524507.db2.gz MMEDAWKWQNQNDP-UHFFFAOYSA-N 1 1 368.372 3.079 20 5 FGBDMO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824531246 609155450 /nfs/dbraw/zinc/15/54/50/609155450.db2.gz OKVIBEXGUZZULN-MNOVXSKESA-N 1 1 356.361 3.326 20 5 FGBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)COCc1ccccc1 ZINC000073478105 695969372 /nfs/dbraw/zinc/96/93/72/695969372.db2.gz WYWJGJCVACNUDN-KRWDZBQOSA-N 1 1 364.829 3.258 20 5 FGBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)COCc1ccccc1 ZINC000073478105 695969375 /nfs/dbraw/zinc/96/93/75/695969375.db2.gz WYWJGJCVACNUDN-KRWDZBQOSA-N 1 1 364.829 3.258 20 5 FGBDMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152700974 704971293 /nfs/dbraw/zinc/97/12/93/704971293.db2.gz IWMAPQDJKLQISV-HNNXBMFYSA-N 1 1 363.801 3.408 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC000374355780 713916206 /nfs/dbraw/zinc/91/62/06/713916206.db2.gz ZPLWRKSQEMOHQP-MRXNPFEDSA-N 1 1 357.435 3.233 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000374355780 713916207 /nfs/dbraw/zinc/91/62/07/713916207.db2.gz ZPLWRKSQEMOHQP-MRXNPFEDSA-N 1 1 357.435 3.233 20 5 FGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC=C(c3ccc(Cl)nc3)CC2)c1 ZINC000374998704 713959766 /nfs/dbraw/zinc/95/97/66/713959766.db2.gz NZXFGZGDHVJHOB-QGZVFWFLSA-N 1 1 359.813 3.466 20 5 FGBDMO CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCOC(C)(C)C1 ZINC000521943911 714158378 /nfs/dbraw/zinc/15/83/78/714158378.db2.gz XMWCGFSWIMGDHX-CYBMUJFWSA-N 1 1 369.849 3.466 20 5 FGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(C)(C)NC(=O)OC(C)(C)C ZINC000802658405 724398309 /nfs/dbraw/zinc/39/83/09/724398309.db2.gz YZNYAJZRJGFFGT-UHFFFAOYSA-N 1 1 351.447 3.372 20 5 FGBDMO CS[C@H]1CCCC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000749466834 722729751 /nfs/dbraw/zinc/72/97/51/722729751.db2.gz XHVUPZAKPJCWDH-LBPRGKRZSA-N 1 1 357.863 3.404 20 5 FGBDMO CS[C@H]1CCCC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000749466834 722729753 /nfs/dbraw/zinc/72/97/53/722729753.db2.gz XHVUPZAKPJCWDH-LBPRGKRZSA-N 1 1 357.863 3.404 20 5 FGBDMO COCCC[N@@H+](C)CCNc1ccc(C)c(Br)c1[N+](=O)[O-] ZINC000804504004 724523469 /nfs/dbraw/zinc/52/34/69/724523469.db2.gz LPZAMEQOTQYWJA-UHFFFAOYSA-N 1 1 360.252 3.046 20 5 FGBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164724688 720365595 /nfs/dbraw/zinc/36/55/95/720365595.db2.gz KNHZYJYYYVCYTF-HZPDHXFCSA-N 1 1 373.844 3.200 20 5 FGBDMO O=C(CC[N@H+](CC(F)F)CC1CCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782525515 724678910 /nfs/dbraw/zinc/67/89/10/724678910.db2.gz VRVWWPHVURWLFB-UHFFFAOYSA-N 1 1 359.348 3.430 20 5 FGBDMO O=C(CC[N@@H+](CC(F)F)CC1CCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782525515 724678911 /nfs/dbraw/zinc/67/89/11/724678911.db2.gz VRVWWPHVURWLFB-UHFFFAOYSA-N 1 1 359.348 3.430 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000783914556 724803468 /nfs/dbraw/zinc/80/34/68/724803468.db2.gz AKZHNNBDYVJLEB-ZDUSSCGKSA-N 1 1 351.472 3.309 20 5 FGBDMO O=[N+]([O-])c1cc2cnn(C[NH+]3CCC([C@H]4CCOC4)CC3)c2c(Cl)c1 ZINC000784005240 724812024 /nfs/dbraw/zinc/81/20/24/724812024.db2.gz JHHOAMXOHUGXPE-ZDUSSCGKSA-N 1 1 364.833 3.304 20 5 FGBDMO O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000715599057 722416143 /nfs/dbraw/zinc/41/61/43/722416143.db2.gz SEALEFMHDKHIQN-AWEZNQCLSA-N 1 1 359.813 3.253 20 5 FGBDMO O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000715599057 722416145 /nfs/dbraw/zinc/41/61/45/722416145.db2.gz SEALEFMHDKHIQN-AWEZNQCLSA-N 1 1 359.813 3.253 20 5 FGBDMO Cc1[nH+]ccn1CCCN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000746714991 722615917 /nfs/dbraw/zinc/61/59/17/722615917.db2.gz RVXZYMINUZSEPY-UHFFFAOYSA-N 1 1 353.220 3.389 20 5 FGBDMO CC[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl)CCC(F)(F)F ZINC000757673089 722978215 /nfs/dbraw/zinc/97/82/15/722978215.db2.gz YWFDBROUGZJVET-UHFFFAOYSA-N 1 1 367.755 3.252 20 5 FGBDMO C[NH+](C)C1(CNCc2ccc([N+](=O)[O-])c(Cl)c2)Cc2ccccc2C1 ZINC000761527353 723162686 /nfs/dbraw/zinc/16/26/86/723162686.db2.gz SQKRJUPNDWWUSZ-UHFFFAOYSA-N 1 1 359.857 3.437 20 5 FGBDMO CN(C)c1cc(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])cc[nH+]1 ZINC000790858405 723186253 /nfs/dbraw/zinc/18/62/53/723186253.db2.gz BLBQEMHXVNIODP-UHFFFAOYSA-N 1 1 352.753 3.030 20 5 FGBDMO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000790963782 723200031 /nfs/dbraw/zinc/20/00/31/723200031.db2.gz GHHIBTPTBYYGFA-ZDUSSCGKSA-N 1 1 369.824 3.063 20 5 FGBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC[N@@H+]1C ZINC000764401673 723411009 /nfs/dbraw/zinc/41/10/09/723411009.db2.gz IUSWDSVMJVBEIU-CYBMUJFWSA-N 1 1 363.483 3.406 20 5 FGBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC[N@H+]1C ZINC000764401673 723411010 /nfs/dbraw/zinc/41/10/10/723411010.db2.gz IUSWDSVMJVBEIU-CYBMUJFWSA-N 1 1 363.483 3.406 20 5 FGBDMO COc1cc(COC(=O)[C@H](C)[NH+]2CCCCCC2)c([N+](=O)[O-])cc1F ZINC000766205152 723561119 /nfs/dbraw/zinc/56/11/19/723561119.db2.gz AYSFTCZGENFBLD-LBPRGKRZSA-N 1 1 354.378 3.050 20 5 FGBDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000796386747 723635837 /nfs/dbraw/zinc/63/58/37/723635837.db2.gz VOKRZZIMXVKBIT-GXTWGEPZSA-N 1 1 369.849 3.202 20 5 FGBDMO COC(=O)[C@@]1(F)CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000769565344 723689973 /nfs/dbraw/zinc/68/99/73/723689973.db2.gz MIJWNTZKSKUJSU-QGZVFWFLSA-N 1 1 364.398 3.410 20 5 FGBDMO COC(=O)[C@@]1(F)CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000769565344 723689974 /nfs/dbraw/zinc/68/99/74/723689974.db2.gz MIJWNTZKSKUJSU-QGZVFWFLSA-N 1 1 364.398 3.410 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=S)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000772802127 723768593 /nfs/dbraw/zinc/76/85/93/723768593.db2.gz ZTFMELVIVOYXID-CQSZACIVSA-N 1 1 350.488 3.249 20 5 FGBDMO C[C@@H](CO)[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)CC1CCC1 ZINC000801555387 724313154 /nfs/dbraw/zinc/31/31/54/724313154.db2.gz MLFKCWJQVNSEST-NSHDSACASA-N 1 1 357.248 3.340 20 5 FGBDMO C[C@H](CO)[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)CC1CCC1 ZINC000801555386 724313284 /nfs/dbraw/zinc/31/32/84/724313284.db2.gz MLFKCWJQVNSEST-LLVKDONJSA-N 1 1 357.248 3.340 20 5 FGBDMO C[NH+](C)Cc1cc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)ccc1Cl ZINC000801980791 724352590 /nfs/dbraw/zinc/35/25/90/724352590.db2.gz ATOZEIXBBKEVDJ-UHFFFAOYSA-N 1 1 366.780 3.283 20 5 FGBDMO CCOCCC[N@H+]1CC[C@H](NCc2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000787301679 725024058 /nfs/dbraw/zinc/02/40/58/725024058.db2.gz CNHJGEGKTMBQON-PBHICJAKSA-N 1 1 369.893 3.475 20 5 FGBDMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000788475566 725066543 /nfs/dbraw/zinc/06/65/43/725066543.db2.gz FCSYVKFCIPSPPK-UKRRQHHQSA-N 1 1 351.422 3.251 20 5 FGBDMO CC(C)(C)OC(=O)NCCC(N)=[NH+]OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000789646088 725140676 /nfs/dbraw/zinc/14/06/76/725140676.db2.gz VXAYDIGUBFYELM-UHFFFAOYSA-N 1 1 372.809 3.161 20 5 FGBDMO CC(C)(C)OC(=O)NCCC(N)=[NH+]OCc1ccc([N+](=O)[O-])cc1Cl ZINC000789651470 725140876 /nfs/dbraw/zinc/14/08/76/725140876.db2.gz IKCIFKXXWOSOPP-UHFFFAOYSA-N 1 1 372.809 3.161 20 5 FGBDMO COc1cc([N+](=O)[O-])c(C(=O)O[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1SC ZINC000810849785 725331141 /nfs/dbraw/zinc/33/11/41/725331141.db2.gz HREONSLWWXRSQD-VXGBXAGGSA-N 1 1 366.439 3.109 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000813044047 726833023 /nfs/dbraw/zinc/83/30/23/726833023.db2.gz PRTLGRLUQATXFK-GOSISDBHSA-N 1 1 351.422 3.159 20 5 FGBDMO C[C@H]1C[C@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000813475783 726882704 /nfs/dbraw/zinc/88/27/04/726882704.db2.gz GKGFPXMNJUHICO-WPRPVWTQSA-N 1 1 358.225 3.257 20 5 FGBDMO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C[C@@H]21 ZINC000814173422 726944637 /nfs/dbraw/zinc/94/46/37/726944637.db2.gz PKKMENDTUWYXAO-QLPKVWCKSA-N 1 1 358.419 3.174 20 5 FGBDMO CC(C)[N@H+]1CC[C@@H](N(C)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000825331462 729379012 /nfs/dbraw/zinc/37/90/12/729379012.db2.gz GYQBPNNNIYNKRC-CYBMUJFWSA-N 1 1 356.264 3.272 20 5 FGBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F ZINC000827649769 729432848 /nfs/dbraw/zinc/43/28/48/729432848.db2.gz KVHDAEWQQSNNIS-LBPRGKRZSA-N 1 1 355.385 3.176 20 5 FGBDMO C[NH+](C)[C@H]1CCc2cc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)ccc21 ZINC000830114295 729537329 /nfs/dbraw/zinc/53/73/29/729537329.db2.gz UBAHBSLSGXXGHG-AWEZNQCLSA-N 1 1 367.452 3.006 20 5 FGBDMO O=C(O[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000835395777 729885631 /nfs/dbraw/zinc/88/56/31/729885631.db2.gz ITKCWZDUHPCYEZ-NWDGAFQWSA-N 1 1 358.316 3.397 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cc1Cl ZINC000836780415 729969736 /nfs/dbraw/zinc/96/97/36/729969736.db2.gz UPNVBJKSVPOKPN-INIZCTEOSA-N 1 1 359.813 3.473 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)cc1Cl ZINC000836780415 729969737 /nfs/dbraw/zinc/96/97/37/729969737.db2.gz UPNVBJKSVPOKPN-INIZCTEOSA-N 1 1 359.813 3.473 20 5 FGBDMO O=[N+]([O-])c1cc2cnn(C[N@H+]3CCC[C@@H]3[C@H]3CCCOC3)c2c(Cl)c1 ZINC000842614014 730518944 /nfs/dbraw/zinc/51/89/44/730518944.db2.gz FXTMKZKRLMEYDX-BLLLJJGKSA-N 1 1 364.833 3.446 20 5 FGBDMO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)NCc1cccs1 ZINC000842749251 730538926 /nfs/dbraw/zinc/53/89/26/730538926.db2.gz AKJUHVHDZRSMRI-OAHLLOKOSA-N 1 1 367.858 3.494 20 5 FGBDMO COc1cc(C(=O)OC[C@H]2CCC[N@H+](C(C)C)C2)cc([N+](=O)[O-])c1C ZINC000842833504 730548348 /nfs/dbraw/zinc/54/83/48/730548348.db2.gz KVZWHQSYZYCHAD-AWEZNQCLSA-N 1 1 350.415 3.189 20 5 FGBDMO COc1cc([N+](=O)[O-])c(C(=O)OC[C@H]2CC[N@H+]2C(C)(C)C)cc1SC ZINC000845737821 730889663 /nfs/dbraw/zinc/88/96/63/730889663.db2.gz AOTKZIXKYFRODL-LLVKDONJSA-N 1 1 368.455 3.355 20 5 FGBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OCC[C@@H]1CC[N@H+](C)C1 ZINC000847820469 731097327 /nfs/dbraw/zinc/09/73/27/731097327.db2.gz PXAZRTNIZRVIEF-NSHDSACASA-N 1 1 371.231 3.164 20 5 FGBDMO CO[C@H]1CC[C@H]([N@@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 ZINC000852023131 731534288 /nfs/dbraw/zinc/53/42/88/731534288.db2.gz WKNZKHKVESZDCQ-QWRGUYRKSA-N 1 1 355.232 3.283 20 5 FGBDMO CO[C@H]1CC[C@H]([N@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 ZINC000852023131 731534291 /nfs/dbraw/zinc/53/42/91/731534291.db2.gz WKNZKHKVESZDCQ-QWRGUYRKSA-N 1 1 355.232 3.283 20 5 FGBDMO C[C@H](CO)[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000852425364 731582564 /nfs/dbraw/zinc/58/25/64/731582564.db2.gz KBWJQBQJQBOONI-RISCZKNCSA-N 1 1 357.248 3.340 20 5 FGBDMO C[C@H](CO)[C@@H]1CCCC[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000852425364 731582565 /nfs/dbraw/zinc/58/25/65/731582565.db2.gz KBWJQBQJQBOONI-RISCZKNCSA-N 1 1 357.248 3.340 20 5 FGBDMO CCS[C@H]1CC[C@H]([N@@H+](C)Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853500648 731713701 /nfs/dbraw/zinc/71/37/01/731713701.db2.gz UPLNAMVNKOJBFF-KBPBESRZSA-N 1 1 361.471 3.417 20 5 FGBDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000861693425 732720748 /nfs/dbraw/zinc/72/07/48/732720748.db2.gz SOJZGHBICGEAGA-UHFFFAOYSA-N 1 1 365.817 3.435 20 5 FGBDMO CSCCc1ccc(NC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)cc1 ZINC000867955779 733537912 /nfs/dbraw/zinc/53/79/12/733537912.db2.gz GZWJMVFRNYTFNZ-SFHVURJKSA-N 1 1 359.451 3.313 20 5 FGBDMO CC[N@@H+]1CCc2nc(NC(=O)c3c(C)ccc([N+](=O)[O-])c3C)sc2C1 ZINC000873846559 735810545 /nfs/dbraw/zinc/81/05/45/735810545.db2.gz NHONBYJFFSTKBZ-UHFFFAOYSA-N 1 1 360.439 3.298 20 5 FGBDMO CC[N@H+]1CCc2nc(NC(=O)c3c(C)ccc([N+](=O)[O-])c3C)sc2C1 ZINC000873846559 735810548 /nfs/dbraw/zinc/81/05/48/735810548.db2.gz NHONBYJFFSTKBZ-UHFFFAOYSA-N 1 1 360.439 3.298 20 5 FGBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)CC1(CO)CCCC1 ZINC000877991830 736754442 /nfs/dbraw/zinc/75/44/42/736754442.db2.gz DHGBGBZDSVJWKO-SFHVURJKSA-N 1 1 350.459 3.109 20 5 FGBDMO CCOCC[N@H+](CC)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878085336 736768581 /nfs/dbraw/zinc/76/85/81/736768581.db2.gz JRXFQEDRBHQWEL-UHFFFAOYSA-N 1 1 354.794 3.157 20 5 FGBDMO CCOCC[N@@H+](CC)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878085336 736768586 /nfs/dbraw/zinc/76/85/86/736768586.db2.gz JRXFQEDRBHQWEL-UHFFFAOYSA-N 1 1 354.794 3.157 20 5 FGBDMO CO[C@H]1C[C@@H](C[N@@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 ZINC000878571533 736889775 /nfs/dbraw/zinc/88/97/75/736889775.db2.gz VSCGSRNWYWDHLA-PHIMTYICSA-N 1 1 355.232 3.140 20 5 FGBDMO CO[C@H]1C[C@@H](C[N@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 ZINC000878571533 736889778 /nfs/dbraw/zinc/88/97/78/736889778.db2.gz VSCGSRNWYWDHLA-PHIMTYICSA-N 1 1 355.232 3.140 20 5 FGBDMO CC[N@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@H]1CCCOC1 ZINC000878806235 736920568 /nfs/dbraw/zinc/92/05/68/736920568.db2.gz ZYXZLUPSBDGBED-LBPRGKRZSA-N 1 1 366.805 3.299 20 5 FGBDMO CC[N@@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@H]1CCCOC1 ZINC000878806235 736920570 /nfs/dbraw/zinc/92/05/70/736920570.db2.gz ZYXZLUPSBDGBED-LBPRGKRZSA-N 1 1 366.805 3.299 20 5 FGBDMO COc1cccc2c1CC[C@@]2(CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000880380073 737167115 /nfs/dbraw/zinc/16/71/15/737167115.db2.gz GEQGFDIOJOOFTR-SFHVURJKSA-N 1 1 362.813 3.180 20 5 FGBDMO COc1cccc2c1CC[C@]2(CO)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000880381566 737168075 /nfs/dbraw/zinc/16/80/75/737168075.db2.gz YSVWGTDLENBVHO-GOSISDBHSA-N 1 1 362.813 3.180 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3CCCC34OCCO4)cs2)c1 ZINC000883178614 737532284 /nfs/dbraw/zinc/53/22/84/737532284.db2.gz ALKPIRLFSKELMG-HNNXBMFYSA-N 1 1 361.423 3.104 20 5 FGBDMO CC[C@@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])c1cnn(C)c1 ZINC000883294559 737547987 /nfs/dbraw/zinc/54/79/87/737547987.db2.gz BXMXYYQOPYDYRZ-CYBMUJFWSA-N 1 1 353.220 3.332 20 5 FGBDMO CC[N@H+]1CCC[C@@H]1CNc1nnc(CSc2ccccc2[N+](=O)[O-])o1 ZINC000901406835 743271993 /nfs/dbraw/zinc/27/19/93/743271993.db2.gz GPARAGOJNWJKJS-GFCCVEGCSA-N 1 1 363.443 3.166 20 5 FGBDMO O=[N+]([O-])c1ccc(Br)c(C[N@H+](C[C@@H]2CCOC2)C2CC2)c1 ZINC000929265765 760350636 /nfs/dbraw/zinc/35/06/36/760350636.db2.gz BWFZNNKQYKTNTP-NSHDSACASA-N 1 1 355.232 3.358 20 5 FGBDMO O=[N+]([O-])c1ccc(Br)c(C[N@@H+](C[C@@H]2CCOC2)C2CC2)c1 ZINC000929265765 760350648 /nfs/dbraw/zinc/35/06/48/760350648.db2.gz BWFZNNKQYKTNTP-NSHDSACASA-N 1 1 355.232 3.358 20 5 FGBDMO Cc1csc(C[C@H]2CC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)n1 ZINC000933132097 761325949 /nfs/dbraw/zinc/32/59/49/761325949.db2.gz YZKJGNRQNRTZAT-GFCCVEGCSA-N 1 1 357.439 3.301 20 5 FGBDMO Cc1csc(C[C@H]2CC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)n1 ZINC000933132097 761325958 /nfs/dbraw/zinc/32/59/58/761325958.db2.gz YZKJGNRQNRTZAT-GFCCVEGCSA-N 1 1 357.439 3.301 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c([N+](=O)[O-])c1 ZINC000282073461 257375765 /nfs/dbraw/zinc/37/57/65/257375765.db2.gz ZFBHDZYUBBDIPP-ZDUSSCGKSA-N 1 1 371.397 3.420 20 5 FGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CCN(CCc2ccccn2)CC1 ZINC000081006005 493811827 /nfs/dbraw/zinc/81/18/27/493811827.db2.gz OWHZKZRQRUDSPX-UHFFFAOYSA-N 1 1 354.454 3.129 20 5 FGBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CCN(CCc2ccccn2)CC1 ZINC000081006005 493811830 /nfs/dbraw/zinc/81/18/30/493811830.db2.gz OWHZKZRQRUDSPX-UHFFFAOYSA-N 1 1 354.454 3.129 20 5 FGBDMO CCc1nsc(N2CCC[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000076184980 493839594 /nfs/dbraw/zinc/83/95/94/493839594.db2.gz NSRVZJQEMGLMLW-ZDUSSCGKSA-N 1 1 361.471 3.282 20 5 FGBDMO CCc1nsc(N2CCC[N@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000076184980 493839595 /nfs/dbraw/zinc/83/95/95/493839595.db2.gz NSRVZJQEMGLMLW-ZDUSSCGKSA-N 1 1 361.471 3.282 20 5 FGBDMO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000081293483 493861593 /nfs/dbraw/zinc/86/15/93/493861593.db2.gz YDCQBLBXIJYGQF-CQSZACIVSA-N 1 1 356.426 3.070 20 5 FGBDMO CC[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)[N@@H+]1CCc2ccccc2C1 ZINC000029909666 493866578 /nfs/dbraw/zinc/86/65/78/493866578.db2.gz CVTLHEWWICLTJX-OAHLLOKOSA-N 1 1 359.451 3.223 20 5 FGBDMO CC[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)[N@H+]1CCc2ccccc2C1 ZINC000029909666 493866581 /nfs/dbraw/zinc/86/65/81/493866581.db2.gz CVTLHEWWICLTJX-OAHLLOKOSA-N 1 1 359.451 3.223 20 5 FGBDMO Cc1c(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cccc1[N+](=O)[O-] ZINC000076394526 493883198 /nfs/dbraw/zinc/88/31/98/493883198.db2.gz PZPZLTGGDWSMKJ-MRXNPFEDSA-N 1 1 351.410 3.326 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000076395976 493884319 /nfs/dbraw/zinc/88/43/19/493884319.db2.gz KNRHXOLXMUDCKZ-CQSZACIVSA-N 1 1 367.409 3.026 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000058899503 493891891 /nfs/dbraw/zinc/89/18/91/493891891.db2.gz CGYPPKOBNNHWTF-OKILXGFUSA-N 1 1 358.442 3.174 20 5 FGBDMO C[N@H+]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C2(CCCCC2)C1 ZINC000081801800 493957527 /nfs/dbraw/zinc/95/75/27/493957527.db2.gz QAUDEIIWBQSVIS-UHFFFAOYSA-N 1 1 356.426 3.167 20 5 FGBDMO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000076808827 493975229 /nfs/dbraw/zinc/97/52/29/493975229.db2.gz OWCJRRPKOYWLMK-BLLLJJGKSA-N 1 1 357.385 3.211 20 5 FGBDMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000076808815 493975555 /nfs/dbraw/zinc/97/55/55/493975555.db2.gz OWCJRRPKOYWLMK-WBMJQRKESA-N 1 1 357.385 3.211 20 5 FGBDMO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000052314984 494017892 /nfs/dbraw/zinc/01/78/92/494017892.db2.gz ZYJBWMZPGVLCCE-QGZVFWFLSA-N 1 1 353.422 3.488 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCc1ccccc1 ZINC000053048286 494087592 /nfs/dbraw/zinc/08/75/92/494087592.db2.gz NSKXBBSPDOOTGM-UHFFFAOYSA-N 1 1 357.410 3.107 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000053370749 494124001 /nfs/dbraw/zinc/12/40/01/494124001.db2.gz ACTKSFQJIURHDM-ZDUSSCGKSA-N 1 1 351.472 3.311 20 5 FGBDMO CNc1ccc(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000053417381 494128446 /nfs/dbraw/zinc/12/84/46/494128446.db2.gz PSUBBMRLMSKPCH-GASCZTMLSA-N 1 1 362.474 3.124 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000064726443 494144274 /nfs/dbraw/zinc/14/42/74/494144274.db2.gz KZQNPKFNSVOCSY-LZWOXQAQSA-N 1 1 361.442 3.081 20 5 FGBDMO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000072528365 494194636 /nfs/dbraw/zinc/19/46/36/494194636.db2.gz MTFQTYNXMTUSMX-CYBMUJFWSA-N 1 1 351.834 3.243 20 5 FGBDMO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000042184074 494208084 /nfs/dbraw/zinc/20/80/84/494208084.db2.gz JGGOSHAKQGQSKA-STQMWFEESA-N 1 1 373.409 3.290 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCCOCCc3ccccc3)C2)nc1 ZINC000072664911 494229340 /nfs/dbraw/zinc/22/93/40/494229340.db2.gz ACHOSVAMXMOJLX-GOSISDBHSA-N 1 1 370.453 3.125 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@H+](C)CCc2cccs2)c([N+](=O)[O-])c1 ZINC000072800768 494253310 /nfs/dbraw/zinc/25/33/10/494253310.db2.gz DWIVKDIZGOKCFO-UHFFFAOYSA-N 1 1 363.439 3.168 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@@H+](C)CCc2cccs2)c([N+](=O)[O-])c1 ZINC000072800768 494253312 /nfs/dbraw/zinc/25/33/12/494253312.db2.gz DWIVKDIZGOKCFO-UHFFFAOYSA-N 1 1 363.439 3.168 20 5 FGBDMO CC[C@@H]1CCCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000078257791 494264235 /nfs/dbraw/zinc/26/42/35/494264235.db2.gz NHGWMRHMLXNIIT-CQSZACIVSA-N 1 1 362.430 3.228 20 5 FGBDMO CCSCC[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000072901771 494279396 /nfs/dbraw/zinc/27/93/96/494279396.db2.gz XGNKWLGGQCZGSU-GFCCVEGCSA-N 1 1 355.460 3.005 20 5 FGBDMO COc1ccc([C@@H](C[NH+](C)C)N[C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000571344422 505710946 /nfs/dbraw/zinc/71/09/46/505710946.db2.gz INEZPQDLOCUMSU-RTBURBONSA-N 1 1 355.438 3.483 20 5 FGBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000072965975 494292941 /nfs/dbraw/zinc/29/29/41/494292941.db2.gz YEXGSKYHHXUCNV-DLBZAZTESA-N 1 1 374.485 3.120 20 5 FGBDMO C[NH+]1CCC(CNc2ccc(F)cc2[N+](=O)[O-])(N2CCCCC2)CC1 ZINC000078457510 494299587 /nfs/dbraw/zinc/29/95/87/494299587.db2.gz LMAOLFBQZVNSMJ-UHFFFAOYSA-N 1 1 350.438 3.096 20 5 FGBDMO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000089421183 494304103 /nfs/dbraw/zinc/30/41/03/494304103.db2.gz PCOZRXIDZOOLNG-GFCCVEGCSA-N 1 1 357.414 3.064 20 5 FGBDMO Cc1cnc(NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c([N+](=O)[O-])c1 ZINC000078654228 494338301 /nfs/dbraw/zinc/33/83/01/494338301.db2.gz PXIAKIHJLTUCNG-OAHLLOKOSA-N 1 1 356.426 3.131 20 5 FGBDMO Cc1cnc(NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c([N+](=O)[O-])c1 ZINC000078654228 494338308 /nfs/dbraw/zinc/33/83/08/494338308.db2.gz PXIAKIHJLTUCNG-OAHLLOKOSA-N 1 1 356.426 3.131 20 5 FGBDMO Cc1cccc(OCC[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000015100253 494338966 /nfs/dbraw/zinc/33/89/66/494338966.db2.gz HNUBTTZIJYAWTB-UHFFFAOYSA-N 1 1 357.410 3.161 20 5 FGBDMO Cc1cccc(OCC[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000015100253 494338969 /nfs/dbraw/zinc/33/89/69/494338969.db2.gz HNUBTTZIJYAWTB-UHFFFAOYSA-N 1 1 357.410 3.161 20 5 FGBDMO Cc1ccccc1OCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000015099480 494339565 /nfs/dbraw/zinc/33/95/65/494339565.db2.gz TUFLMJDUEGEUHK-OAHLLOKOSA-N 1 1 357.410 3.241 20 5 FGBDMO Cc1ccccc1OCC[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000015099480 494339568 /nfs/dbraw/zinc/33/95/68/494339568.db2.gz TUFLMJDUEGEUHK-OAHLLOKOSA-N 1 1 357.410 3.241 20 5 FGBDMO CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000066474637 494341569 /nfs/dbraw/zinc/34/15/69/494341569.db2.gz RVSQYWVSCRZYHF-HOCLYGCPSA-N 1 1 363.458 3.120 20 5 FGBDMO O=C(C[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000055908853 494426898 /nfs/dbraw/zinc/42/68/98/494426898.db2.gz CGHHQXLNBDDLLP-INIZCTEOSA-N 1 1 357.385 3.380 20 5 FGBDMO O=C(C[N@H+]1CCC[C@H]1Cc1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000055908853 494426902 /nfs/dbraw/zinc/42/69/02/494426902.db2.gz CGHHQXLNBDDLLP-INIZCTEOSA-N 1 1 357.385 3.380 20 5 FGBDMO COc1ccc(NC(=O)C[N@@H+](C)C[C@@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000066854378 494427590 /nfs/dbraw/zinc/42/75/90/494427590.db2.gz PSFRKVPGQPJSCZ-CQSZACIVSA-N 1 1 357.410 3.277 20 5 FGBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000056530290 494521613 /nfs/dbraw/zinc/52/16/13/494521613.db2.gz XMMGITHPMDUJEN-VXGBXAGGSA-N 1 1 354.838 3.490 20 5 FGBDMO C[NH+](C)[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000046642416 494546852 /nfs/dbraw/zinc/54/68/52/494546852.db2.gz UYTYOMSZPMZZED-QGZVFWFLSA-N 1 1 361.829 3.210 20 5 FGBDMO CCCCN(C)C(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000079906419 494546931 /nfs/dbraw/zinc/54/69/31/494546931.db2.gz DLRWFTDRVSBGGL-UHFFFAOYSA-N 1 1 363.458 3.074 20 5 FGBDMO COC(=O)c1cc([N+](=O)[O-])c(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000091479704 494606306 /nfs/dbraw/zinc/60/63/06/494606306.db2.gz RGMMNMAQFQDXJQ-SNVBAGLBSA-N 1 1 364.789 3.142 20 5 FGBDMO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000091480212 494608380 /nfs/dbraw/zinc/60/83/80/494608380.db2.gz CZTAUSWBOLWTKZ-LLVKDONJSA-N 1 1 362.361 3.018 20 5 FGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]2c2ccccc2Br)n1 ZINC000126039931 494616074 /nfs/dbraw/zinc/61/60/74/494616074.db2.gz JLJMKVYUIZECOX-AWEZNQCLSA-N 1 1 365.231 3.391 20 5 FGBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000080163683 494619940 /nfs/dbraw/zinc/61/99/40/494619940.db2.gz ZRQCOZSEJHJQRI-LBPRGKRZSA-N 1 1 354.838 3.444 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH+]3CCC4(CC3)OCCO4)cs2)c1 ZINC000126057983 494622895 /nfs/dbraw/zinc/62/28/95/494622895.db2.gz PLWIARQPJMKKNI-UHFFFAOYSA-N 1 1 361.423 3.057 20 5 FGBDMO COc1cc(C[NH+]2CCC(OC(C)(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000092454201 494630984 /nfs/dbraw/zinc/63/09/84/494630984.db2.gz GMRBZBNWVOEOLR-UHFFFAOYSA-N 1 1 352.431 3.392 20 5 FGBDMO Cc1ccc(CN2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000092587171 494677190 /nfs/dbraw/zinc/67/71/90/494677190.db2.gz RKNQFMIMNIIWAM-CALCHBBNSA-N 1 1 361.486 3.224 20 5 FGBDMO Cc1ccc(CN2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000092587171 494677201 /nfs/dbraw/zinc/67/72/01/494677201.db2.gz RKNQFMIMNIIWAM-CALCHBBNSA-N 1 1 361.486 3.224 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC000025308642 494720920 /nfs/dbraw/zinc/72/09/20/494720920.db2.gz SKEAIBULBUQXFB-PKOBYXMFSA-N 1 1 360.385 3.311 20 5 FGBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000126413838 494742091 /nfs/dbraw/zinc/74/20/91/494742091.db2.gz SCSCFTKNMIPPQV-CQSZACIVSA-N 1 1 370.453 3.383 20 5 FGBDMO CC(C)c1ccc(C[N@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000092011329 494753332 /nfs/dbraw/zinc/75/33/32/494753332.db2.gz ZEYSHKYRFDNPPJ-LPHOPBHVSA-N 1 1 372.469 3.397 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCc2ccccc2CC1 ZINC000116302221 494757892 /nfs/dbraw/zinc/75/78/92/494757892.db2.gz PPTYWVVGUCMLBP-CQSZACIVSA-N 1 1 369.421 3.031 20 5 FGBDMO C[C@H](CCNc1ccc(C(N)=O)cc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000080671473 494763708 /nfs/dbraw/zinc/76/37/08/494763708.db2.gz CRBSVPZVGQYWOT-CQSZACIVSA-N 1 1 356.426 3.016 20 5 FGBDMO O=[N+]([O-])c1cnccc1N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000116497583 494801313 /nfs/dbraw/zinc/80/13/13/494801313.db2.gz ITZSURFJVIMGOQ-UHFFFAOYSA-N 1 1 366.343 3.331 20 5 FGBDMO C[N@@H+](CCOc1ccc(F)cc1)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000026336785 494818746 /nfs/dbraw/zinc/81/87/46/494818746.db2.gz BVDBDQNGYXRTBS-UHFFFAOYSA-N 1 1 361.373 3.073 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000121637053 494827050 /nfs/dbraw/zinc/82/70/50/494827050.db2.gz RXLRNXSXKFGLFB-INIZCTEOSA-N 1 1 374.485 3.031 20 5 FGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000093133926 494829772 /nfs/dbraw/zinc/82/97/72/494829772.db2.gz LAJILEIREOWPDV-SEJWUHKESA-N 1 1 353.426 3.025 20 5 FGBDMO CC(C)C[C@H]1COCC[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000093340018 494874127 /nfs/dbraw/zinc/87/41/27/494874127.db2.gz CXTBGEYNKKSBDR-SFHVURJKSA-N 1 1 358.442 3.242 20 5 FGBDMO CC(C)C[C@H]1COCC[N@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000093340018 494874131 /nfs/dbraw/zinc/87/41/31/494874131.db2.gz CXTBGEYNKKSBDR-SFHVURJKSA-N 1 1 358.442 3.242 20 5 FGBDMO C[C@]1(c2ccccc2)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000121936497 494894695 /nfs/dbraw/zinc/89/46/95/494894695.db2.gz ICPYYXGGIRQGJH-HXUWFJFHSA-N 1 1 369.421 3.171 20 5 FGBDMO C[C@]1(c2ccccc2)C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000121936497 494894699 /nfs/dbraw/zinc/89/46/99/494894699.db2.gz ICPYYXGGIRQGJH-HXUWFJFHSA-N 1 1 369.421 3.171 20 5 FGBDMO Cn1cc(C[N@@H+](C)[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093608628 494902369 /nfs/dbraw/zinc/90/23/69/494902369.db2.gz OMMLNJUTLDKPHN-UHOSZYNNSA-N 1 1 370.453 3.241 20 5 FGBDMO CSc1ccc(C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)cc1[N+](=O)[O-] ZINC000122004292 494907613 /nfs/dbraw/zinc/90/76/13/494907613.db2.gz ORQPTCSOGRUHLU-UHFFFAOYSA-N 1 1 374.466 3.145 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)n1 ZINC000122170928 494934687 /nfs/dbraw/zinc/93/46/87/494934687.db2.gz NULSXVOLLJRKOC-OAHLLOKOSA-N 1 1 356.426 3.131 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)n1 ZINC000122170928 494934689 /nfs/dbraw/zinc/93/46/89/494934689.db2.gz NULSXVOLLJRKOC-OAHLLOKOSA-N 1 1 356.426 3.131 20 5 FGBDMO CCc1nn(C)c(NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1[N+](=O)[O-] ZINC000094151983 494954729 /nfs/dbraw/zinc/95/47/29/494954729.db2.gz RHKBSWGJRGJOMF-CYBMUJFWSA-N 1 1 363.487 3.276 20 5 FGBDMO C[C@@H]1SCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000118421338 495000485 /nfs/dbraw/zinc/00/04/85/495000485.db2.gz DCPWDCZPXMIMRM-SCLBCKFNSA-N 1 1 371.462 3.372 20 5 FGBDMO C[C@@H]1SCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000118421338 495000488 /nfs/dbraw/zinc/00/04/88/495000488.db2.gz DCPWDCZPXMIMRM-SCLBCKFNSA-N 1 1 371.462 3.372 20 5 FGBDMO C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)NCc1ccco1 ZINC000111399132 495071240 /nfs/dbraw/zinc/07/12/40/495071240.db2.gz QLJQRRZYRVEASV-ZDUSSCGKSA-N 1 1 369.377 3.242 20 5 FGBDMO C[C@H](CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000111474008 495079757 /nfs/dbraw/zinc/07/97/57/495079757.db2.gz LGUVFKMCFPALSR-CVEARBPZSA-N 1 1 370.453 3.476 20 5 FGBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000134048305 495098506 /nfs/dbraw/zinc/09/85/06/495098506.db2.gz NQAJHNGPKWTCJX-LBPRGKRZSA-N 1 1 373.375 3.321 20 5 FGBDMO C[C@]12CCC[N@@H+]1C[C@H](c1noc(/C=C/c3ccc([N+](=O)[O-])cc3)n1)OC2 ZINC000571565833 505762710 /nfs/dbraw/zinc/76/27/10/505762710.db2.gz JWGXPHXPBUGDCP-ZEDVSWOJSA-N 1 1 356.382 3.074 20 5 FGBDMO C[C@]12CCC[N@H+]1C[C@H](c1noc(/C=C/c3ccc([N+](=O)[O-])cc3)n1)OC2 ZINC000571565833 505762713 /nfs/dbraw/zinc/76/27/13/505762713.db2.gz JWGXPHXPBUGDCP-ZEDVSWOJSA-N 1 1 356.382 3.074 20 5 FGBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000134324961 495135206 /nfs/dbraw/zinc/13/52/06/495135206.db2.gz KROQBPROCYUCNU-ZDUSSCGKSA-N 1 1 351.422 3.364 20 5 FGBDMO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000128687115 495135756 /nfs/dbraw/zinc/13/57/56/495135756.db2.gz IAWPSHZBFJGJPS-UHFFFAOYSA-N 1 1 373.840 3.249 20 5 FGBDMO CCS[C@@H]1CCCC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000112088136 495142501 /nfs/dbraw/zinc/14/25/01/495142501.db2.gz WPGSQOUHMKNGJS-OAHLLOKOSA-N 1 1 351.472 3.449 20 5 FGBDMO COc1ccc(NC(=O)C[NH2+][C@H](C)c2cc(C)ccc2OC)c([N+](=O)[O-])c1 ZINC000102691897 495154106 /nfs/dbraw/zinc/15/41/06/495154106.db2.gz KKRFXYXYHMSRGZ-CYBMUJFWSA-N 1 1 373.409 3.210 20 5 FGBDMO CC[C@@H](O)C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccccc1 ZINC000134479003 495156196 /nfs/dbraw/zinc/15/61/96/495156196.db2.gz FUKGIGKPQXOOPT-GOSISDBHSA-N 1 1 371.437 3.115 20 5 FGBDMO CC[C@@H](O)C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccccc1 ZINC000134479003 495156200 /nfs/dbraw/zinc/15/62/00/495156200.db2.gz FUKGIGKPQXOOPT-GOSISDBHSA-N 1 1 371.437 3.115 20 5 FGBDMO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000119424526 495164093 /nfs/dbraw/zinc/16/40/93/495164093.db2.gz VUNINVIHOGNKDN-DNVCBOLYSA-N 1 1 369.469 3.430 20 5 FGBDMO CS[C@H]1CCCC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000134544428 495166191 /nfs/dbraw/zinc/16/61/91/495166191.db2.gz CCUFBEGXOTXDIA-LBPRGKRZSA-N 1 1 357.863 3.404 20 5 FGBDMO CS[C@H]1CCCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000134544428 495166196 /nfs/dbraw/zinc/16/61/96/495166196.db2.gz CCUFBEGXOTXDIA-LBPRGKRZSA-N 1 1 357.863 3.404 20 5 FGBDMO O=C(CC[N@H+]1CC[C@H](Nc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000102845538 495166419 /nfs/dbraw/zinc/16/64/19/495166419.db2.gz NPPNADCKDZLFHC-KRWDZBQOSA-N 1 1 354.410 3.110 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@H](SC)C1 ZINC000134568414 495169173 /nfs/dbraw/zinc/16/91/73/495169173.db2.gz VHEIQMIUZUABFL-AWEZNQCLSA-N 1 1 367.471 3.150 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@H](SC)C1 ZINC000134578020 495170680 /nfs/dbraw/zinc/17/06/80/495170680.db2.gz VEOITTZKBJDKRN-AWEZNQCLSA-N 1 1 367.471 3.150 20 5 FGBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000123720497 495176255 /nfs/dbraw/zinc/17/62/55/495176255.db2.gz OKDAEEYUQYGDPO-IBGZPJMESA-N 1 1 368.437 3.117 20 5 FGBDMO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(F)cc1F ZINC000119681482 495216994 /nfs/dbraw/zinc/21/69/94/495216994.db2.gz SYPRSPHIWNUAQQ-NSHDSACASA-N 1 1 361.348 3.113 20 5 FGBDMO C[C@@H]1C[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000134946861 495228770 /nfs/dbraw/zinc/22/87/70/495228770.db2.gz ZUDZXGHCMMQKOY-VQIMIIECSA-N 1 1 367.449 3.307 20 5 FGBDMO Cn1cc([C@H]2CCC[N@H+]2CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cn1 ZINC000104695016 495297815 /nfs/dbraw/zinc/29/78/15/495297815.db2.gz YEXUNOXKKGXXSK-QGZVFWFLSA-N 1 1 367.409 3.363 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(OCC4CC4)cc3)CC2)cn1 ZINC000577680390 505774296 /nfs/dbraw/zinc/77/42/96/505774296.db2.gz UPMATBZZWHYYGV-UHFFFAOYSA-N 1 1 368.437 3.101 20 5 FGBDMO CC(C)[N@@H+]1CCC[C@H](CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000105456647 495365468 /nfs/dbraw/zinc/36/54/68/495365468.db2.gz XCKZTBCXKSUIMH-MRXNPFEDSA-N 1 1 371.485 3.205 20 5 FGBDMO CC(C)[N@H+]1CCC[C@H](CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000105456647 495365472 /nfs/dbraw/zinc/36/54/72/495365472.db2.gz XCKZTBCXKSUIMH-MRXNPFEDSA-N 1 1 371.485 3.205 20 5 FGBDMO CN1C(=O)C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1 ZINC000125224174 495408911 /nfs/dbraw/zinc/40/89/11/495408911.db2.gz MVUPYHRCTLIEBZ-BBRMVZONSA-N 1 1 365.842 3.371 20 5 FGBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)CCC1CCOCC1 ZINC000120623474 495420479 /nfs/dbraw/zinc/42/04/79/495420479.db2.gz FWBVYJURLRFDGX-LBPRGKRZSA-N 1 1 369.849 3.324 20 5 FGBDMO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000130639809 495423931 /nfs/dbraw/zinc/42/39/31/495423931.db2.gz MBQCGNFVUCRQCT-INIZCTEOSA-N 1 1 357.385 3.128 20 5 FGBDMO C[C@H](O)C[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000130719212 495434917 /nfs/dbraw/zinc/43/49/17/495434917.db2.gz JGUXLGJCGJZGQQ-HNNXBMFYSA-N 1 1 366.421 3.260 20 5 FGBDMO C[C@H]1CCC[N@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000125401753 495439290 /nfs/dbraw/zinc/43/92/90/495439290.db2.gz MWIUVJVGBFWNBB-LBPRGKRZSA-N 1 1 351.834 3.337 20 5 FGBDMO COc1ccc(OCC[N@@H+](C)[C@@H](C)Cc2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC000125756301 495493989 /nfs/dbraw/zinc/49/39/89/495493989.db2.gz FCAIKJZXFJFGBG-AWEZNQCLSA-N 1 1 360.410 3.251 20 5 FGBDMO CCC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H]1CCCCO1 ZINC000106866236 495504286 /nfs/dbraw/zinc/50/42/86/495504286.db2.gz OVGKLVZORHWWOF-QGZVFWFLSA-N 1 1 350.415 3.242 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000158563153 495538489 /nfs/dbraw/zinc/53/84/89/495538489.db2.gz ZIVZIXCQALAYPB-UHFFFAOYSA-N 1 1 371.441 3.432 20 5 FGBDMO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000170701158 495572991 /nfs/dbraw/zinc/57/29/91/495572991.db2.gz BBELJKPQBQRTFV-MRXNPFEDSA-N 1 1 369.421 3.454 20 5 FGBDMO C[C@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182554357 495611850 /nfs/dbraw/zinc/61/18/50/495611850.db2.gz JGQRZIWMLJQRHJ-DOTOQJQBSA-N 1 1 374.485 3.090 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000150774310 495629675 /nfs/dbraw/zinc/62/96/75/495629675.db2.gz UDORYRHDTISCGX-OKILXGFUSA-N 1 1 365.449 3.149 20 5 FGBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000158998382 495633890 /nfs/dbraw/zinc/63/38/90/495633890.db2.gz MSJQZVMIDRDSAE-AWEZNQCLSA-N 1 1 372.469 3.245 20 5 FGBDMO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(OC(F)F)c1 ZINC000179575028 495647256 /nfs/dbraw/zinc/64/72/56/495647256.db2.gz NJRXPHKRJIIKFP-JTQLQIEISA-N 1 1 365.336 3.146 20 5 FGBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000173752242 495677422 /nfs/dbraw/zinc/67/74/22/495677422.db2.gz CMNZQNPDFRATIZ-WMZOPIPTSA-N 1 1 359.470 3.250 20 5 FGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)c1 ZINC000154667366 495689639 /nfs/dbraw/zinc/68/96/39/495689639.db2.gz GCQVTGXBHIRJNE-HOJAQTOUSA-N 1 1 374.412 3.355 20 5 FGBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000179721309 495704144 /nfs/dbraw/zinc/70/41/44/495704144.db2.gz KYTGWKURPLTVFT-CQSZACIVSA-N 1 1 366.421 3.326 20 5 FGBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000154902013 495766963 /nfs/dbraw/zinc/76/69/63/495766963.db2.gz UBTSTHIPBFIOHV-AWEZNQCLSA-N 1 1 356.426 3.137 20 5 FGBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000186012656 495820769 /nfs/dbraw/zinc/82/07/69/495820769.db2.gz PYCWMFIBHKTMDK-ZDUSSCGKSA-N 1 1 368.865 3.122 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@H](C)C1 ZINC000151485362 495854624 /nfs/dbraw/zinc/85/46/24/495854624.db2.gz VQWVNTWAUUPJLT-IAQYHMDHSA-N 1 1 373.375 3.416 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000183214326 495882930 /nfs/dbraw/zinc/88/29/30/495882930.db2.gz OTVXVEXQPLPYLW-XIRDDKMYSA-N 1 1 360.458 3.090 20 5 FGBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCCN(c4ccccc4)CC3)nc2c1 ZINC000177017440 495885143 /nfs/dbraw/zinc/88/51/43/495885143.db2.gz ZURGLKFCSKUPNG-UHFFFAOYSA-N 1 1 352.394 3.448 20 5 FGBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCCN(c4ccccc4)CC3)nc2c1 ZINC000177017440 495885146 /nfs/dbraw/zinc/88/51/46/495885146.db2.gz ZURGLKFCSKUPNG-UHFFFAOYSA-N 1 1 352.394 3.448 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000183275889 495912074 /nfs/dbraw/zinc/91/20/74/495912074.db2.gz DVLXAMHCFKWFMH-UHFFFAOYSA-N 1 1 353.422 3.251 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000183275889 495912079 /nfs/dbraw/zinc/91/20/79/495912079.db2.gz DVLXAMHCFKWFMH-UHFFFAOYSA-N 1 1 353.422 3.251 20 5 FGBDMO CSc1cccc(C(=O)NCC[N@@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000186247279 495912358 /nfs/dbraw/zinc/91/23/58/495912358.db2.gz MTBCLLZCCWWBBE-UHFFFAOYSA-N 1 1 359.451 3.179 20 5 FGBDMO COc1ccc([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000155334433 495924456 /nfs/dbraw/zinc/92/44/56/495924456.db2.gz JVGNSBYXZZHAEP-ZBFHGGJFSA-N 1 1 369.421 3.420 20 5 FGBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000174512487 495989846 /nfs/dbraw/zinc/98/98/46/495989846.db2.gz IQZPGXTVHADHGV-ZDUSSCGKSA-N 1 1 374.466 3.132 20 5 FGBDMO Cc1cc(C)cc([C@@H]2CC[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)c1 ZINC000183490787 496007212 /nfs/dbraw/zinc/00/72/12/496007212.db2.gz WLQLFIGCZOTTJC-MRXNPFEDSA-N 1 1 353.422 3.300 20 5 FGBDMO CC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H](C)c1cccc(O)c1 ZINC000174616996 496033337 /nfs/dbraw/zinc/03/33/37/496033337.db2.gz HOHVQZUTFWWMIV-ZDUSSCGKSA-N 1 1 373.409 3.331 20 5 FGBDMO CC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H](C)c1cccc(O)c1 ZINC000174616996 496033338 /nfs/dbraw/zinc/03/33/38/496033338.db2.gz HOHVQZUTFWWMIV-ZDUSSCGKSA-N 1 1 373.409 3.331 20 5 FGBDMO CN(C)C1(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000180543571 496037952 /nfs/dbraw/zinc/03/79/52/496037952.db2.gz FKOJIMSWMXUFRM-HXUWFJFHSA-N 1 1 369.465 3.385 20 5 FGBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000160885663 496061147 /nfs/dbraw/zinc/06/11/47/496061147.db2.gz WKUCQLAFZXCQRP-HOCLYGCPSA-N 1 1 368.437 3.029 20 5 FGBDMO C[C@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000171864761 496068509 /nfs/dbraw/zinc/06/85/09/496068509.db2.gz YZGIKHIZCPIYKQ-LSDHHAIUSA-N 1 1 353.422 3.219 20 5 FGBDMO C[C@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000171864761 496068514 /nfs/dbraw/zinc/06/85/14/496068514.db2.gz YZGIKHIZCPIYKQ-LSDHHAIUSA-N 1 1 353.422 3.219 20 5 FGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1 ZINC000155817381 496078136 /nfs/dbraw/zinc/07/81/36/496078136.db2.gz GHYXJSIIZQAYAY-INIZCTEOSA-N 1 1 351.410 3.060 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000161310118 496149306 /nfs/dbraw/zinc/14/93/06/496149306.db2.gz IBGMNDRAPBPDRN-AWEZNQCLSA-N 1 1 360.458 3.259 20 5 FGBDMO CSc1cccc(C(=O)Nc2c[nH+]ccc2-n2cc(C)cn2)c1[N+](=O)[O-] ZINC000186885009 496195871 /nfs/dbraw/zinc/19/58/71/496195871.db2.gz LSFFGRGPCVAURB-UHFFFAOYSA-N 1 1 369.406 3.458 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC([N@H+]3CCC[C@@H]3C)CC2)c1 ZINC000152755020 496246349 /nfs/dbraw/zinc/24/63/49/496246349.db2.gz ICLQWLVBNITCGD-ZDUSSCGKSA-N 1 1 363.483 3.406 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(N3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)n2)cc1 ZINC000161932066 496265834 /nfs/dbraw/zinc/26/58/34/496265834.db2.gz KCQUWDICPPTTBZ-PBHICJAKSA-N 1 1 369.425 3.098 20 5 FGBDMO CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000161976865 496274361 /nfs/dbraw/zinc/27/43/61/496274361.db2.gz BPASBHFZXAOKJK-AWEZNQCLSA-N 1 1 350.415 3.159 20 5 FGBDMO Cc1ccc(NCCCNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)[nH+]c1 ZINC000172400994 496283691 /nfs/dbraw/zinc/28/36/91/496283691.db2.gz BBOZRFSPSFTVNX-AWEZNQCLSA-N 1 1 374.466 3.397 20 5 FGBDMO CC(C)c1ccc(C[N@H+]2CCC[C@@H](c3ccnc(N)n3)C2)cc1[N+](=O)[O-] ZINC000569039184 505835691 /nfs/dbraw/zinc/83/56/91/505835691.db2.gz RNSTVEAPVUNSFU-OAHLLOKOSA-N 1 1 355.442 3.300 20 5 FGBDMO C[C@@]1(CNC(=O)c2ccccc2[N+](=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000162381714 496345182 /nfs/dbraw/zinc/34/51/82/496345182.db2.gz OTBBLMLAQZMAKT-FQEVSTJZSA-N 1 1 353.422 3.379 20 5 FGBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000153110862 496356415 /nfs/dbraw/zinc/35/64/15/496356415.db2.gz QPJPLPLJAKKVOG-UHFFFAOYSA-N 1 1 355.438 3.164 20 5 FGBDMO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC1(O)CCCCCC1 ZINC000187335796 496398356 /nfs/dbraw/zinc/39/83/56/496398356.db2.gz YCIJNZBXHDEGNI-UHFFFAOYSA-N 1 1 369.849 3.204 20 5 FGBDMO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC1(O)CCCCCC1 ZINC000187335796 496398360 /nfs/dbraw/zinc/39/83/60/496398360.db2.gz YCIJNZBXHDEGNI-UHFFFAOYSA-N 1 1 369.849 3.204 20 5 FGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C2CCOCC2)CC1 ZINC000153486949 496472338 /nfs/dbraw/zinc/47/23/38/496472338.db2.gz JQXLGLCRCGDFGD-AWEZNQCLSA-N 1 1 361.442 3.060 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000157559433 496503077 /nfs/dbraw/zinc/50/30/77/496503077.db2.gz AIFBKJBKGKBBJP-OAHLLOKOSA-N 1 1 374.485 3.294 20 5 FGBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000157702360 496533191 /nfs/dbraw/zinc/53/31/91/496533191.db2.gz ZEAJQZCGPSWDHP-HNNXBMFYSA-N 1 1 374.485 3.415 20 5 FGBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173115335 496556548 /nfs/dbraw/zinc/55/65/48/496556548.db2.gz LWDAVOSUPUWFML-UHFFFAOYSA-N 1 1 355.438 3.294 20 5 FGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CCc1nccs1 ZINC000157798151 496557373 /nfs/dbraw/zinc/55/73/73/496557373.db2.gz UOCYOPMMLOBLOL-NSHDSACASA-N 1 1 359.411 3.337 20 5 FGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)CCc1nccs1 ZINC000157798151 496557378 /nfs/dbraw/zinc/55/73/78/496557378.db2.gz UOCYOPMMLOBLOL-NSHDSACASA-N 1 1 359.411 3.337 20 5 FGBDMO CC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H](C)Cc1ccsc1 ZINC000187781702 496570054 /nfs/dbraw/zinc/57/00/54/496570054.db2.gz RBBAUGVESAMASX-AWEZNQCLSA-N 1 1 373.478 3.499 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000153790015 496580443 /nfs/dbraw/zinc/58/04/43/496580443.db2.gz PYQNOMRERWGXRE-WFASDCNBSA-N 1 1 361.833 3.361 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000178876410 496602806 /nfs/dbraw/zinc/60/28/06/496602806.db2.gz XWAIQNDDGSYOSQ-JKSUJKDBSA-N 1 1 362.474 3.323 20 5 FGBDMO CC(C)[N@@H+](Cc1cc(-c2cnn(C)c2)no1)Cc1ccc([N+](=O)[O-])cc1 ZINC000184987656 496612917 /nfs/dbraw/zinc/61/29/17/496612917.db2.gz DEULJWUXBSCRMO-UHFFFAOYSA-N 1 1 355.398 3.394 20 5 FGBDMO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000153886498 496613978 /nfs/dbraw/zinc/61/39/78/496613978.db2.gz GMNVMQMNALTOIU-SJKOYZFVSA-N 1 1 363.845 3.337 20 5 FGBDMO C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cccc(F)c1F ZINC000181975559 496619718 /nfs/dbraw/zinc/61/97/18/496619718.db2.gz HBNSHIAPOQNXFV-LLVKDONJSA-N 1 1 361.348 3.113 20 5 FGBDMO C[C@@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[N@H+]1CCC[C@@H](C)C1 ZINC000185008050 496620186 /nfs/dbraw/zinc/62/01/86/496620186.db2.gz ZFKDMKGALWVMJL-RDBSUJKOSA-N 1 1 351.422 3.074 20 5 FGBDMO C[C@H](C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185009487 496620209 /nfs/dbraw/zinc/62/02/09/496620209.db2.gz PFUPBDPKHFDKMN-CABCVRRESA-N 1 1 365.449 3.466 20 5 FGBDMO CCO[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C12CCC2 ZINC000154030228 496660145 /nfs/dbraw/zinc/66/01/45/496660145.db2.gz AKEAGCLPAWRCNG-SJORKVTESA-N 1 1 361.442 3.121 20 5 FGBDMO CCO[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C12CCC2 ZINC000154030228 496660148 /nfs/dbraw/zinc/66/01/48/496660148.db2.gz AKEAGCLPAWRCNG-SJORKVTESA-N 1 1 361.442 3.121 20 5 FGBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CCc1ccccc1 ZINC000154086215 496679597 /nfs/dbraw/zinc/67/95/97/496679597.db2.gz UGWPWEUZGJEVFY-UHFFFAOYSA-N 1 1 371.437 3.497 20 5 FGBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000188160666 496704881 /nfs/dbraw/zinc/70/48/81/496704881.db2.gz BMWHXMAECWFYBE-ZDUSSCGKSA-N 1 1 351.472 3.311 20 5 FGBDMO Cc1[nH+]ccn1-c1ncccc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185237582 496714125 /nfs/dbraw/zinc/71/41/25/496714125.db2.gz NPODRVNYQWHFGE-NSHDSACASA-N 1 1 369.356 3.365 20 5 FGBDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000277391172 496758039 /nfs/dbraw/zinc/75/80/39/496758039.db2.gz FWYPVRYCEIZONQ-UHFFFAOYSA-N 1 1 363.458 3.188 20 5 FGBDMO CCC[C@@]1(COC)CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000194927680 496763605 /nfs/dbraw/zinc/76/36/05/496763605.db2.gz WKALOMRJUGFKEJ-KRWDZBQOSA-N 1 1 369.849 3.468 20 5 FGBDMO CCC[C@@]1(COC)CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000194927680 496763612 /nfs/dbraw/zinc/76/36/12/496763612.db2.gz WKALOMRJUGFKEJ-KRWDZBQOSA-N 1 1 369.849 3.468 20 5 FGBDMO CC(C)C[C@]1(CO)CCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000191639653 496842414 /nfs/dbraw/zinc/84/24/14/496842414.db2.gz KAVIDEAUSMWUCQ-SFHVURJKSA-N 1 1 360.414 3.018 20 5 FGBDMO CC(C)C[C@@]1(CO)CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000191639630 496842446 /nfs/dbraw/zinc/84/24/46/496842446.db2.gz KLEOOTVIYFSHDR-QGZVFWFLSA-N 1 1 369.849 3.060 20 5 FGBDMO CC(C)C[C@@]1(CO)CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000191639630 496842451 /nfs/dbraw/zinc/84/24/51/496842451.db2.gz KLEOOTVIYFSHDR-QGZVFWFLSA-N 1 1 369.849 3.060 20 5 FGBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000247426543 496856702 /nfs/dbraw/zinc/85/67/02/496856702.db2.gz KTLNFUVLGFMLMZ-HOTGVXAUSA-N 1 1 374.485 3.389 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H]1c1ccccc1 ZINC000247923230 496927162 /nfs/dbraw/zinc/92/71/62/496927162.db2.gz CEWHQPXPILOHJE-RBUKOAKNSA-N 1 1 364.405 3.251 20 5 FGBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000278085879 496999168 /nfs/dbraw/zinc/99/91/68/496999168.db2.gz MVUBPOQZFCRIJS-UHFFFAOYSA-N 1 1 355.394 3.290 20 5 FGBDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248468607 497022218 /nfs/dbraw/zinc/02/22/18/497022218.db2.gz UEEXGPLUDQRXGU-BPQIPLTHSA-N 1 1 356.422 3.213 20 5 FGBDMO COc1ccccc1[C@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248476432 497024036 /nfs/dbraw/zinc/02/40/36/497024036.db2.gz YFBUXZPDGXAEKH-NVXWUHKLSA-N 1 1 372.421 3.180 20 5 FGBDMO C[C@@H](C(=O)NCCC[N@H+]1CCCC[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000248573786 497045334 /nfs/dbraw/zinc/04/53/34/497045334.db2.gz MTDGXNHPQWNEPY-ZIAGYGMSSA-N 1 1 351.422 3.218 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC([C@H]3CCCO3)CC2)cccc1[N+](=O)[O-] ZINC000189222463 497050224 /nfs/dbraw/zinc/05/02/24/497050224.db2.gz BNGAXAABSDTHAK-RDTXWAMCSA-N 1 1 361.442 3.121 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000270375519 497113386 /nfs/dbraw/zinc/11/33/86/497113386.db2.gz ZZXOURJEJFLTPU-UHFFFAOYSA-N 1 1 373.331 3.126 20 5 FGBDMO CC(C)[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000236700524 497134215 /nfs/dbraw/zinc/13/42/15/497134215.db2.gz AMDZCWZCERUTDA-LJQANCHMSA-N 1 1 371.485 3.205 20 5 FGBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000192565692 497151453 /nfs/dbraw/zinc/15/14/53/497151453.db2.gz VKAROWXEXURAIH-HNNXBMFYSA-N 1 1 373.457 3.011 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[N@H+](CCOCC(F)(F)C(F)F)C1CC1 ZINC000189731925 497226240 /nfs/dbraw/zinc/22/62/40/497226240.db2.gz WTVJGIRULBRGBA-UHFFFAOYSA-N 1 1 350.312 3.476 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[N@@H+](CCOCC(F)(F)C(F)F)C1CC1 ZINC000189731925 497226247 /nfs/dbraw/zinc/22/62/47/497226247.db2.gz WTVJGIRULBRGBA-UHFFFAOYSA-N 1 1 350.312 3.476 20 5 FGBDMO O=[N+]([O-])c1c(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc2sccn21 ZINC000192955415 497258897 /nfs/dbraw/zinc/25/88/97/497258897.db2.gz WELNKADCAGHKOF-AWEZNQCLSA-N 1 1 357.439 3.238 20 5 FGBDMO CC(C)(C)N1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O ZINC000572120292 505894898 /nfs/dbraw/zinc/89/48/98/505894898.db2.gz PCVPBNCXXGWXKX-HNNXBMFYSA-N 1 1 357.410 3.344 20 5 FGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000250283119 497263782 /nfs/dbraw/zinc/26/37/82/497263782.db2.gz IHTRTTDWSJVSET-FGTMMUONSA-N 1 1 360.502 3.146 20 5 FGBDMO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000266282844 497295214 /nfs/dbraw/zinc/29/52/14/497295214.db2.gz HAICOVUGBGNQFK-JQWIXIFHSA-N 1 1 359.348 3.168 20 5 FGBDMO Cn1cc(C[N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])c(C(F)(F)F)n1 ZINC000255598594 497371217 /nfs/dbraw/zinc/37/12/17/497371217.db2.gz CVWJWEZJTXWQIJ-ALCCZGGFSA-N 1 1 354.332 3.492 20 5 FGBDMO Cn1cc(C[N@@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])c(C(F)(F)F)n1 ZINC000255598594 497371219 /nfs/dbraw/zinc/37/12/19/497371219.db2.gz CVWJWEZJTXWQIJ-ALCCZGGFSA-N 1 1 354.332 3.492 20 5 FGBDMO CSc1ccc(C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000255956075 497380316 /nfs/dbraw/zinc/38/03/16/497380316.db2.gz VWAMWNGQMAGRDB-QWHCGFSZSA-N 1 1 351.472 3.167 20 5 FGBDMO Cc1sc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000279323632 497406456 /nfs/dbraw/zinc/40/64/56/497406456.db2.gz BJIAHTMBUBOBPL-IYBDPMFKSA-N 1 1 371.462 3.169 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000261691019 497433402 /nfs/dbraw/zinc/43/34/02/497433402.db2.gz CHQMVLPFOWDJHV-GFCCVEGCSA-N 1 1 351.815 3.096 20 5 FGBDMO COc1cc(C[N@@H+](C)C[C@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1OC(F)F ZINC000245539820 497445619 /nfs/dbraw/zinc/44/56/19/497445619.db2.gz HYHUULCWZNQWJU-BXUZGUMPSA-N 1 1 374.384 3.188 20 5 FGBDMO COc1cccc2c1CC[N@@H+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)CC2 ZINC000193716427 497456718 /nfs/dbraw/zinc/45/67/18/497456718.db2.gz ARGZDGUJTYNTNU-UHFFFAOYSA-N 1 1 370.405 3.071 20 5 FGBDMO Cc1c(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000193788778 497482140 /nfs/dbraw/zinc/48/21/40/497482140.db2.gz YYXYNJJPPDMJFM-QGZVFWFLSA-N 1 1 353.422 3.155 20 5 FGBDMO C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1n1ccnc1 ZINC000245702323 497507753 /nfs/dbraw/zinc/50/77/53/497507753.db2.gz BOXZSXHKIUNZGH-SWLSCSKDSA-N 1 1 366.368 3.476 20 5 FGBDMO C[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1n1ccnc1 ZINC000245702323 497507759 /nfs/dbraw/zinc/50/77/59/497507759.db2.gz BOXZSXHKIUNZGH-SWLSCSKDSA-N 1 1 366.368 3.476 20 5 FGBDMO CC(C)(C)OC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000276361193 497554414 /nfs/dbraw/zinc/55/44/14/497554414.db2.gz YTTPLFHJVZPAHX-UHFFFAOYSA-N 1 1 353.394 3.223 20 5 FGBDMO C[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272183213 497557958 /nfs/dbraw/zinc/55/79/58/497557958.db2.gz AJKUYOCPLKCTDX-GOEBONIOSA-N 1 1 371.412 3.374 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c(C(F)(F)F)c1 ZINC000245955596 497583168 /nfs/dbraw/zinc/58/31/68/497583168.db2.gz QKLJAQSNSZULBV-ZIAGYGMSSA-N 1 1 362.373 3.320 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCS[C@@H]3COCC[C@H]32)c(C(F)(F)F)c1 ZINC000245955596 497583171 /nfs/dbraw/zinc/58/31/71/497583171.db2.gz QKLJAQSNSZULBV-ZIAGYGMSSA-N 1 1 362.373 3.320 20 5 FGBDMO C[NH+]1CCC(N2CCC(Nc3nc4ccccc4cc3[N+](=O)[O-])CC2)CC1 ZINC000276684064 497627948 /nfs/dbraw/zinc/62/79/48/497627948.db2.gz VJEUKGQXFOHGQU-UHFFFAOYSA-N 1 1 369.469 3.114 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]C[C@@](C)(O)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000276761990 497645937 /nfs/dbraw/zinc/64/59/37/497645937.db2.gz HAHVOCLDPVYTGL-UYAOXDASSA-N 1 1 372.469 3.339 20 5 FGBDMO CCO[C@@H]1C[C@@H]([NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000272513736 497648218 /nfs/dbraw/zinc/64/82/18/497648218.db2.gz JPKIGGNFEKAJQY-KURKYZTESA-N 1 1 370.453 3.355 20 5 FGBDMO Cc1c([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000246266893 497678685 /nfs/dbraw/zinc/67/86/85/497678685.db2.gz AGQITXCICOKZQE-CWFSZBLJSA-N 1 1 361.486 3.322 20 5 FGBDMO C[C@@H](NC(=O)Nc1ccncc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272766730 497725034 /nfs/dbraw/zinc/72/50/34/497725034.db2.gz WRDOGELIVQLWRC-ZBFHGGJFSA-N 1 1 369.425 3.022 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c([N+](=O)[O-])c1 ZINC000194712215 497747073 /nfs/dbraw/zinc/74/70/73/497747073.db2.gz XKYFXRHYQBRXCW-GOSISDBHSA-N 1 1 355.350 3.134 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)c([N+](=O)[O-])c1 ZINC000194712215 497747078 /nfs/dbraw/zinc/74/70/78/497747078.db2.gz XKYFXRHYQBRXCW-GOSISDBHSA-N 1 1 355.350 3.134 20 5 FGBDMO CCS(=O)(=O)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)s1 ZINC000280590120 497795731 /nfs/dbraw/zinc/79/57/31/497795731.db2.gz NCEMYLYZYOOWEW-UHFFFAOYSA-N 1 1 354.453 3.048 20 5 FGBDMO C[C@@H]1C[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C[C@@]2(CCOC2)O1 ZINC000280603562 497823006 /nfs/dbraw/zinc/82/30/06/497823006.db2.gz VJTFLASKMWNSRP-IVZQSRNASA-N 1 1 365.429 3.326 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C[C@@]2(CCOC2)O1 ZINC000280603562 497823009 /nfs/dbraw/zinc/82/30/09/497823009.db2.gz VJTFLASKMWNSRP-IVZQSRNASA-N 1 1 365.429 3.326 20 5 FGBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000581272903 505948922 /nfs/dbraw/zinc/94/89/22/505948922.db2.gz VVWMMWLTHPYZCW-HUUCEWRRSA-N 1 1 365.384 3.255 20 5 FGBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000581272903 505948926 /nfs/dbraw/zinc/94/89/26/505948926.db2.gz VVWMMWLTHPYZCW-HUUCEWRRSA-N 1 1 365.384 3.255 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)c([N+](=O)[O-])cc1OC(F)F ZINC000284876940 497929162 /nfs/dbraw/zinc/92/91/62/497929162.db2.gz SVJLXLGVFRNYKR-OCCSQVGLSA-N 1 1 372.368 3.348 20 5 FGBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2cc([N+](=O)[O-])cc(C)c2F)CC1 ZINC000284883808 497930883 /nfs/dbraw/zinc/93/08/83/497930883.db2.gz LDRIJSUMWJXKDP-UHFFFAOYSA-N 1 1 373.384 3.429 20 5 FGBDMO Cc1ccc([C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280875764 497931854 /nfs/dbraw/zinc/93/18/54/497931854.db2.gz OSHOQOSZJKNBPO-KDOFPFPSSA-N 1 1 362.451 3.167 20 5 FGBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@H](CSC)C2)c([N+](=O)[O-])c1 ZINC000292274709 497949634 /nfs/dbraw/zinc/94/96/34/497949634.db2.gz BHDLLOPIHRKXKZ-ZDUSSCGKSA-N 1 1 367.471 3.007 20 5 FGBDMO COc1cc2c(cc1OC)C[N@@H+](CCNc1ccc([N+](=O)[O-])cc1)CC2 ZINC000301114238 497957203 /nfs/dbraw/zinc/95/72/03/497957203.db2.gz YCHNHIBFFXJVSA-UHFFFAOYSA-N 1 1 357.410 3.082 20 5 FGBDMO COc1cccc([C@H](C)[NH+]2CCN(c3ncc([N+](=O)[O-])cc3C)CC2)c1 ZINC000301182738 497987948 /nfs/dbraw/zinc/98/79/48/497987948.db2.gz IMEANTFWPZALRG-HNNXBMFYSA-N 1 1 356.426 3.190 20 5 FGBDMO C[N@H+]1CC[C@@H](CNCc2cc([N+](=O)[O-])ccc2Cl)[C@@H]1c1cccnc1 ZINC000364676803 498084465 /nfs/dbraw/zinc/08/44/65/498084465.db2.gz YATHBCQSXRNQCU-KSSFIOAISA-N 1 1 360.845 3.426 20 5 FGBDMO CN1CC[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H]1c1cccnc1 ZINC000364676803 498084473 /nfs/dbraw/zinc/08/44/73/498084473.db2.gz YATHBCQSXRNQCU-KSSFIOAISA-N 1 1 360.845 3.426 20 5 FGBDMO CC[N@H+]1CCCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000301504505 498139028 /nfs/dbraw/zinc/13/90/28/498139028.db2.gz GIYWXHXIJZYYDD-UHFFFAOYSA-N 1 1 362.308 3.054 20 5 FGBDMO CC(C)c1[nH+]ccn1C[C@@H]1CCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000364834210 498166384 /nfs/dbraw/zinc/16/63/84/498166384.db2.gz OXXKLUHJRCKFIF-KRWDZBQOSA-N 1 1 356.426 3.148 20 5 FGBDMO CC(C)[N@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000301570054 498167932 /nfs/dbraw/zinc/16/79/32/498167932.db2.gz WPTWPKQLUMQLHS-NSHDSACASA-N 1 1 357.252 3.285 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000301746585 498250478 /nfs/dbraw/zinc/25/04/78/498250478.db2.gz PYQNOMRERWGXRE-SWLSCSKDSA-N 1 1 361.833 3.361 20 5 FGBDMO Cc1[nH+]ccn1CCCCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293071261 498257267 /nfs/dbraw/zinc/25/72/67/498257267.db2.gz CDGNCVXTQUVCAA-UHFFFAOYSA-N 1 1 370.331 3.329 20 5 FGBDMO CCCn1c(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)nc2ccccc21 ZINC000365113893 498302225 /nfs/dbraw/zinc/30/22/25/498302225.db2.gz BLVKGHRCJDOJAN-UHFFFAOYSA-N 1 1 368.441 3.388 20 5 FGBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000575832953 506013720 /nfs/dbraw/zinc/01/37/20/506013720.db2.gz PIVOXDYNASPATD-LLVKDONJSA-N 1 1 373.331 3.167 20 5 FGBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281953838 498331785 /nfs/dbraw/zinc/33/17/85/498331785.db2.gz QCRFAXWDECNRAS-CQSZACIVSA-N 1 1 358.446 3.036 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)c1 ZINC000575857846 506018983 /nfs/dbraw/zinc/01/89/83/506018983.db2.gz NELCUMOCSQGBPF-AWEZNQCLSA-N 1 1 356.369 3.445 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCOC[C@@H](C3CCC3)C2)c1 ZINC000575857846 506018987 /nfs/dbraw/zinc/01/89/87/506018987.db2.gz NELCUMOCSQGBPF-AWEZNQCLSA-N 1 1 356.369 3.445 20 5 FGBDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000361672863 498417249 /nfs/dbraw/zinc/41/72/49/498417249.db2.gz YRNSUJDIXKOVQD-IEBWSBKVSA-N 1 1 366.421 3.055 20 5 FGBDMO O=[N+]([O-])c1cnc(N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC000302240952 498457217 /nfs/dbraw/zinc/45/72/17/498457217.db2.gz XSPHZNBKFOKPGW-RYQLBKOJSA-N 1 1 353.426 3.097 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]C[C@H](CO)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000293737925 498472701 /nfs/dbraw/zinc/47/27/01/498472701.db2.gz PAFJDXUJOWVLCP-IEBWSBKVSA-N 1 1 372.469 3.196 20 5 FGBDMO Cn1cc[nH+]c1C[C@H]1CCCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000365466835 498481525 /nfs/dbraw/zinc/48/15/25/498481525.db2.gz YSDMERAWPPENMQ-LLVKDONJSA-N 1 1 369.347 3.201 20 5 FGBDMO NC(=O)c1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000282386317 498490284 /nfs/dbraw/zinc/49/02/84/498490284.db2.gz GMIMTRZRSDEMEQ-AWEZNQCLSA-N 1 1 371.359 3.248 20 5 FGBDMO NC(=O)c1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000282386317 498490287 /nfs/dbraw/zinc/49/02/87/498490287.db2.gz GMIMTRZRSDEMEQ-AWEZNQCLSA-N 1 1 371.359 3.248 20 5 FGBDMO Cn1cc(C(C)(C)[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])cn1 ZINC000578883906 506044325 /nfs/dbraw/zinc/04/43/25/506044325.db2.gz JPKBEBPJZPYSFR-UHFFFAOYSA-N 1 1 353.220 3.116 20 5 FGBDMO CC[NH+]1CCN(C[C@@H](C)CNc2cc(C)c([N+](=O)[O-])cc2Cl)CC1 ZINC000302620414 498519707 /nfs/dbraw/zinc/51/97/07/498519707.db2.gz DKEKWDOUZLZQDZ-ZDUSSCGKSA-N 1 1 354.882 3.242 20 5 FGBDMO Cc1nc(C2CC[NH+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)CC2)no1 ZINC000362822122 498558369 /nfs/dbraw/zinc/55/83/69/498558369.db2.gz DFAAHEUUYIOOSQ-UHFFFAOYSA-N 1 1 360.414 3.453 20 5 FGBDMO Cc1cc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)nc(N2CCCC2)n1 ZINC000578946049 506056998 /nfs/dbraw/zinc/05/69/98/506056998.db2.gz SSNJIZKPDBZFLA-HNNXBMFYSA-N 1 1 355.442 3.453 20 5 FGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000332157441 498581945 /nfs/dbraw/zinc/58/19/45/498581945.db2.gz XVBDHFPMMZDRRI-BBWFWOEESA-N 1 1 361.486 3.477 20 5 FGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000332157441 498581951 /nfs/dbraw/zinc/58/19/51/498581951.db2.gz XVBDHFPMMZDRRI-BBWFWOEESA-N 1 1 361.486 3.477 20 5 FGBDMO C[C@@H]1[C@H](N2CCCC2)CC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000287068643 498615484 /nfs/dbraw/zinc/61/54/84/498615484.db2.gz UUDKJLFZECHAMZ-CRAIPNDOSA-N 1 1 370.453 3.351 20 5 FGBDMO C[C@@H]1[C@H](N2CCCC2)CC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000287068643 498615476 /nfs/dbraw/zinc/61/54/76/498615476.db2.gz UUDKJLFZECHAMZ-CRAIPNDOSA-N 1 1 370.453 3.351 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000365811084 498651523 /nfs/dbraw/zinc/65/15/23/498651523.db2.gz KTZLNEJDUFCQKY-HNNXBMFYSA-N 1 1 366.425 3.098 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000311591689 498752029 /nfs/dbraw/zinc/75/20/29/498752029.db2.gz DEDPDZXDCIEFKM-MRXNPFEDSA-N 1 1 355.394 3.068 20 5 FGBDMO Cc1cccc(NC2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)[nH+]1 ZINC000363413109 498807674 /nfs/dbraw/zinc/80/76/74/498807674.db2.gz YGVWLLPUTPZFIM-UHFFFAOYSA-N 1 1 355.398 3.407 20 5 FGBDMO COc1cc(Cn2c[nH+]c3c2CCCC3)c([N+](=O)[O-])cc1OCC(F)F ZINC000295270404 498961417 /nfs/dbraw/zinc/96/14/17/498961417.db2.gz JMRKSIBKZQBCDA-UHFFFAOYSA-N 1 1 367.352 3.371 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2F)[C@H](C)C1 ZINC000284058255 499040376 /nfs/dbraw/zinc/04/03/76/499040376.db2.gz QESYZRHWJQIWDB-DOMZBBRYSA-N 1 1 352.410 3.236 20 5 FGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000284129487 499053948 /nfs/dbraw/zinc/05/39/48/499053948.db2.gz UQVOTHWSCOSJJA-NEPJUHHUSA-N 1 1 352.822 3.339 20 5 FGBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000295595473 499058906 /nfs/dbraw/zinc/05/89/06/499058906.db2.gz XSVMSJBHVSHMFS-UHFFFAOYSA-N 1 1 370.331 3.281 20 5 FGBDMO C[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000570269722 506129451 /nfs/dbraw/zinc/12/94/51/506129451.db2.gz FAMADWPCFMVTET-UZLBHIALSA-N 1 1 367.449 3.479 20 5 FGBDMO C[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccc(F)cc1 ZINC000366795901 499076653 /nfs/dbraw/zinc/07/66/53/499076653.db2.gz PHNPQUZACMZNFR-DLBZAZTESA-N 1 1 361.348 3.048 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccc(F)cc1 ZINC000366795901 499076656 /nfs/dbraw/zinc/07/66/56/499076656.db2.gz PHNPQUZACMZNFR-DLBZAZTESA-N 1 1 361.348 3.048 20 5 FGBDMO Cc1c[nH+]cn1C1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000366814802 499083112 /nfs/dbraw/zinc/08/31/12/499083112.db2.gz AADFISOBYGARRG-UHFFFAOYSA-N 1 1 366.219 3.099 20 5 FGBDMO C[C@@H](CO)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000576334820 506133492 /nfs/dbraw/zinc/13/34/92/506133492.db2.gz IZJSYPSJWPXIMB-JTQLQIEISA-N 1 1 369.215 3.430 20 5 FGBDMO Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)c3ccccc3[N+](=O)[O-])[C@@H](C)C2)s1 ZINC000370960481 499275220 /nfs/dbraw/zinc/27/52/20/499275220.db2.gz GNYOIMTUXFNZAF-BLLLJJGKSA-N 1 1 374.466 3.000 20 5 FGBDMO Cc1sc(C(=O)N2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)cc1[N+](=O)[O-] ZINC000368426721 499294768 /nfs/dbraw/zinc/29/47/68/499294768.db2.gz XPQRMTWIUXNNRG-ZDUSSCGKSA-N 1 1 363.483 3.301 20 5 FGBDMO Nc1cc2c(nn1)CC[N@H+](Cc1ccc(-c3ccccc3[N+](=O)[O-])s1)C2 ZINC000371380530 499317519 /nfs/dbraw/zinc/31/75/19/499317519.db2.gz SBUTULHONUOGBO-UHFFFAOYSA-N 1 1 367.434 3.084 20 5 FGBDMO Nc1cc2c(nn1)CC[N@@H+](Cc1ccc(-c3ccccc3[N+](=O)[O-])s1)C2 ZINC000371380530 499317521 /nfs/dbraw/zinc/31/75/21/499317521.db2.gz SBUTULHONUOGBO-UHFFFAOYSA-N 1 1 367.434 3.084 20 5 FGBDMO Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000371464099 499330408 /nfs/dbraw/zinc/33/04/08/499330408.db2.gz OPYBTAMDJOGKNH-DOTOQJQBSA-N 1 1 364.833 3.070 20 5 FGBDMO Cc1ncc(C[N@H+]2CC[C@H](Nc3ncc([N+](=O)[O-])cc3C)[C@H](C)C2)s1 ZINC000369591772 499423776 /nfs/dbraw/zinc/42/37/76/499423776.db2.gz NYGXBRZJVNIDKX-WBMJQRKESA-N 1 1 361.471 3.386 20 5 FGBDMO CCOc1cc(C[N@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)ccc1[N+](=O)[O-] ZINC000369596758 499424588 /nfs/dbraw/zinc/42/45/88/499424588.db2.gz KODZTPZISPCTQN-FQEVSTJZSA-N 1 1 367.405 3.089 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000373163395 499454648 /nfs/dbraw/zinc/45/46/48/499454648.db2.gz KUJKRCHRLINPFZ-LPHOPBHVSA-N 1 1 368.437 3.063 20 5 FGBDMO C[N@@H+](C[C@H]1CC12CCN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)CC2)C1CC1 ZINC000378352258 499505390 /nfs/dbraw/zinc/50/53/90/499505390.db2.gz BJKDVRVPUGWCHS-ZGRWHYIRSA-N 1 1 369.465 3.331 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@@H](c3ccccc3)[C@@H](CO)C2)c([N+](=O)[O-])cc1F ZINC000375681856 499544892 /nfs/dbraw/zinc/54/48/92/499544892.db2.gz ZQZQBTXBWUPYEY-SJORKVTESA-N 1 1 374.412 3.341 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@H](c3ccccc3)[C@@H](CO)C2)c([N+](=O)[O-])cc1F ZINC000375681856 499544894 /nfs/dbraw/zinc/54/48/94/499544894.db2.gz ZQZQBTXBWUPYEY-SJORKVTESA-N 1 1 374.412 3.341 20 5 FGBDMO Cc1cccc(C(=O)N2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)c1[N+](=O)[O-] ZINC000376820086 499637249 /nfs/dbraw/zinc/63/72/49/499637249.db2.gz YBPXXDLZCDWFOS-OAHLLOKOSA-N 1 1 357.454 3.240 20 5 FGBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@H]1C ZINC000410642990 499672124 /nfs/dbraw/zinc/67/21/24/499672124.db2.gz ZKAXQQIKIIUUNF-WDEREUQCSA-N 1 1 359.348 3.168 20 5 FGBDMO Cn1cc(C[N@H+]2CC[C@@H](C3CCOCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000377250271 499673863 /nfs/dbraw/zinc/67/38/63/499673863.db2.gz MWEBNRCCEGDEPL-QGZVFWFLSA-N 1 1 370.453 3.244 20 5 FGBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[N@@H+](C)CC2)cc1OC ZINC000411153526 499703906 /nfs/dbraw/zinc/70/39/06/499703906.db2.gz JKLYLALIABAWBD-OAHLLOKOSA-N 1 1 365.474 3.166 20 5 FGBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])s3)C[C@@H]2[C@H]1c1ccccc1 ZINC000377823198 499738790 /nfs/dbraw/zinc/73/87/90/499738790.db2.gz HLJLPSAWDDWMKQ-JKIFEVAISA-N 1 1 357.435 3.031 20 5 FGBDMO C[C@@H](CCO)[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000411449933 499741816 /nfs/dbraw/zinc/74/18/16/499741816.db2.gz SVTZFBAIHKFYAB-INIZCTEOSA-N 1 1 371.437 3.197 20 5 FGBDMO CC[C@@H](CSC)[N@@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411451840 499742090 /nfs/dbraw/zinc/74/20/90/499742090.db2.gz VPNPAHYFMGAPTB-LBPRGKRZSA-N 1 1 355.460 3.005 20 5 FGBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000411582784 499766092 /nfs/dbraw/zinc/76/60/92/499766092.db2.gz MJIUZRUBCQDBNE-VQTJNVASSA-N 1 1 367.449 3.466 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]CC(C)(C)OCC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000414266825 499772793 /nfs/dbraw/zinc/77/27/93/499772793.db2.gz MIAIPDIFWORJKL-KRWDZBQOSA-N 1 1 358.442 3.213 20 5 FGBDMO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000414405260 499787778 /nfs/dbraw/zinc/78/77/78/499787778.db2.gz JLINNICPMUMMOL-CQSZACIVSA-N 1 1 372.400 3.472 20 5 FGBDMO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1Cc1ccccc1 ZINC000414405260 499787780 /nfs/dbraw/zinc/78/77/80/499787780.db2.gz JLINNICPMUMMOL-CQSZACIVSA-N 1 1 372.400 3.472 20 5 FGBDMO [NH3+]CC(F)(F)CNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000414930998 499845447 /nfs/dbraw/zinc/84/54/47/499845447.db2.gz QCQWVSZMICQEFR-UHFFFAOYSA-N 1 1 355.316 3.210 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1SCC[N@H+]1CCCOCC1 ZINC000413001150 499903526 /nfs/dbraw/zinc/90/35/26/499903526.db2.gz RFTJGFYSCCWGQP-UHFFFAOYSA-N 1 1 361.261 3.172 20 5 FGBDMO C[N@H+](Cc1ccccc1)CC1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413116753 499916038 /nfs/dbraw/zinc/91/60/38/499916038.db2.gz HRHLWTKYMRAXHD-UHFFFAOYSA-N 1 1 358.417 3.477 20 5 FGBDMO O=[N+]([O-])c1cnc(N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(F)c1 ZINC000413310448 499940375 /nfs/dbraw/zinc/94/03/75/499940375.db2.gz NHIFZPOKVAOCEE-HZPDHXFCSA-N 1 1 356.401 3.087 20 5 FGBDMO C[C@H]1C[C@H]1[N@H+]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H](C)C1 ZINC000429007579 499980547 /nfs/dbraw/zinc/98/05/47/499980547.db2.gz VSXURWFDGLIMGI-ZRGWGRIASA-N 1 1 370.453 3.412 20 5 FGBDMO CC(C)([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000429238226 500030507 /nfs/dbraw/zinc/03/05/07/500030507.db2.gz QMAASIXNWAYCBD-UHFFFAOYSA-N 1 1 366.414 3.033 20 5 FGBDMO COCCCN1CCC([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417306377 500035377 /nfs/dbraw/zinc/03/53/77/500035377.db2.gz AEDGUOHIELAJJZ-HXUWFJFHSA-N 1 1 361.486 3.453 20 5 FGBDMO COCCC[NH+]1CCC(N[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417306377 500035379 /nfs/dbraw/zinc/03/53/79/500035379.db2.gz AEDGUOHIELAJJZ-HXUWFJFHSA-N 1 1 361.486 3.453 20 5 FGBDMO C[N@H+]1CCC[C@@H]2CN(Cc3ccc(Br)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000425428425 500103220 /nfs/dbraw/zinc/10/32/20/500103220.db2.gz WVZZJZBVHQZIPK-DOMZBBRYSA-N 1 1 368.275 3.273 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000430198808 500207731 /nfs/dbraw/zinc/20/77/31/500207731.db2.gz ACZJRSXBCKSGGR-IBGZPJMESA-N 1 1 355.438 3.310 20 5 FGBDMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430211323 500209241 /nfs/dbraw/zinc/20/92/41/500209241.db2.gz XRXOIRYTBOWKFB-GOEBONIOSA-N 1 1 363.458 3.120 20 5 FGBDMO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430211322 500209579 /nfs/dbraw/zinc/20/95/79/500209579.db2.gz XRXOIRYTBOWKFB-GDBMZVCRSA-N 1 1 363.458 3.120 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCSC[C@H]2C2CCC2)c2c(c1)COCO2 ZINC000418124202 500232969 /nfs/dbraw/zinc/23/29/69/500232969.db2.gz HGWJFRGZHNVKKR-INIZCTEOSA-N 1 1 350.440 3.179 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCSC[C@H]2C2CCC2)c2c(c1)COCO2 ZINC000418124202 500232972 /nfs/dbraw/zinc/23/29/72/500232972.db2.gz HGWJFRGZHNVKKR-INIZCTEOSA-N 1 1 350.440 3.179 20 5 FGBDMO C[C@@H](c1ccccc1)[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000573406110 506188698 /nfs/dbraw/zinc/18/86/98/506188698.db2.gz PBUVDYWITMMODY-KXBFYZLASA-N 1 1 358.442 3.158 20 5 FGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000427604824 500410683 /nfs/dbraw/zinc/41/06/83/500410683.db2.gz SOSVBTHNDDZFPA-PHIMTYICSA-N 1 1 359.348 3.103 20 5 FGBDMO CN(C[C@H]1CCC[N@H+]1C)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000420637954 500480917 /nfs/dbraw/zinc/48/09/17/500480917.db2.gz PSGLICAEPDDPKD-SECBINFHSA-N 1 1 368.306 3.174 20 5 FGBDMO Cc1cc(C)c(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1C ZINC000582376014 506198721 /nfs/dbraw/zinc/19/87/21/506198721.db2.gz QSXBKKOVGPODQM-UHFFFAOYSA-N 1 1 367.449 3.478 20 5 FGBDMO Cc1noc(C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)c2ccccc2)n1 ZINC000428644969 500537090 /nfs/dbraw/zinc/53/70/90/500537090.db2.gz XOSXLTXHNYKQSS-QGZVFWFLSA-N 1 1 356.357 3.499 20 5 FGBDMO Cc1cccc(C[N@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)c1C ZINC000428733443 500550157 /nfs/dbraw/zinc/55/01/57/500550157.db2.gz PWAHGNALHNRMMI-UHFFFAOYSA-N 1 1 371.393 3.011 20 5 FGBDMO Cc1cccc(C[N@@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)c1C ZINC000428733443 500550158 /nfs/dbraw/zinc/55/01/58/500550158.db2.gz PWAHGNALHNRMMI-UHFFFAOYSA-N 1 1 371.393 3.011 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H](c3ccccc3)C2)c1 ZINC000433048638 500613498 /nfs/dbraw/zinc/61/34/98/500613498.db2.gz XWEFFYCLXNOCNN-IEBWSBKVSA-N 1 1 356.422 3.214 20 5 FGBDMO CCOc1cc(C[N@@H+](CCOC)[C@@H]2CCCSC2)ccc1[N+](=O)[O-] ZINC000433182414 500641201 /nfs/dbraw/zinc/64/12/01/500641201.db2.gz NVADPOKQKMHGAG-OAHLLOKOSA-N 1 1 354.472 3.338 20 5 FGBDMO Cc1c(CC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)cccc1[N+](=O)[O-] ZINC000437855162 500707782 /nfs/dbraw/zinc/70/77/82/500707782.db2.gz WPGDLGYDUNLFPF-GOSISDBHSA-N 1 1 359.470 3.359 20 5 FGBDMO COc1ccccc1C[C@@H](C)[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000444235851 500822191 /nfs/dbraw/zinc/82/21/91/500822191.db2.gz HALFORYQXYQKEZ-OAHLLOKOSA-N 1 1 371.437 3.129 20 5 FGBDMO CCC[C@]1(C)CCC[N@@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000438824399 500823357 /nfs/dbraw/zinc/82/33/57/500823357.db2.gz DCMYQYVJKFVBQY-VQIMIIECSA-N 1 1 359.426 3.129 20 5 FGBDMO CCC[C@]1(C)CCC[N@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000438824399 500823359 /nfs/dbraw/zinc/82/33/59/500823359.db2.gz DCMYQYVJKFVBQY-VQIMIIECSA-N 1 1 359.426 3.129 20 5 FGBDMO Cc1c(CC(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000438901437 500833451 /nfs/dbraw/zinc/83/34/51/500833451.db2.gz IJMOMFLUBHUXDE-VQIMIIECSA-N 1 1 367.449 3.397 20 5 FGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](CCO)[C@@H]1CCCSC1 ZINC000438994709 500845298 /nfs/dbraw/zinc/84/52/98/500845298.db2.gz CGGAVUHBQPRJAF-MRXNPFEDSA-N 1 1 354.472 3.072 20 5 FGBDMO C[NH+](C)[C@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])c1ccccc1Cl ZINC000439099817 500856057 /nfs/dbraw/zinc/85/60/57/500856057.db2.gz RCMYMDUAQOBIBQ-OAHLLOKOSA-N 1 1 362.817 3.062 20 5 FGBDMO CCC[C@@]1(CO)CCC[N@H+]1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000444765477 500895205 /nfs/dbraw/zinc/89/52/05/500895205.db2.gz JIDTZDIBHBISCH-KRWDZBQOSA-N 1 1 374.384 3.332 20 5 FGBDMO CCOC(=O)[C@]1(COC)CCC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000439464537 500900255 /nfs/dbraw/zinc/90/02/55/500900255.db2.gz CTQSJJJRGPURRF-DNVCBOLYSA-N 1 1 364.442 3.256 20 5 FGBDMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000434900567 500909794 /nfs/dbraw/zinc/90/97/94/500909794.db2.gz NVSOWJRBVFGONR-DNVCBOLYSA-N 1 1 365.433 3.362 20 5 FGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000449055534 500913203 /nfs/dbraw/zinc/91/32/03/500913203.db2.gz VRUDUNZKBOZIKD-CQSZACIVSA-N 1 1 356.426 3.138 20 5 FGBDMO CCOCCCN1CC[C@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000449139860 500933451 /nfs/dbraw/zinc/93/34/51/500933451.db2.gz LZBMRKAVFHWFCN-LNLFQRSKSA-N 1 1 363.502 3.252 20 5 FGBDMO NC(=O)c1cccc(C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000449410282 500996941 /nfs/dbraw/zinc/99/69/41/500996941.db2.gz VNLLKBPUGUNPIK-YWEYNIOJSA-N 1 1 351.406 3.372 20 5 FGBDMO CCOc1ccccc1C[N@@H+]1CCN(c2ncc(C)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000440653948 501034794 /nfs/dbraw/zinc/03/47/94/501034794.db2.gz QUCJQCJQISKLDD-MRXNPFEDSA-N 1 1 370.453 3.408 20 5 FGBDMO CCOc1ccccc1C[N@H+]1CCN(c2ncc(C)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000440653948 501034795 /nfs/dbraw/zinc/03/47/95/501034795.db2.gz QUCJQCJQISKLDD-MRXNPFEDSA-N 1 1 370.453 3.408 20 5 FGBDMO CCOc1ccccc1C[N@@H+]1CCN(c2ncc(C)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000440653947 501034844 /nfs/dbraw/zinc/03/48/44/501034844.db2.gz QUCJQCJQISKLDD-INIZCTEOSA-N 1 1 370.453 3.408 20 5 FGBDMO CCOc1ccccc1C[N@H+]1CCN(c2ncc(C)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000440653947 501034846 /nfs/dbraw/zinc/03/48/46/501034846.db2.gz QUCJQCJQISKLDD-INIZCTEOSA-N 1 1 370.453 3.408 20 5 FGBDMO CO[C@@H]1C[C@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000449630401 501046755 /nfs/dbraw/zinc/04/67/55/501046755.db2.gz HUENVUNUSJYUSU-ZWKOTPCHSA-N 1 1 370.453 3.385 20 5 FGBDMO CC1(C)C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1c1ccccc1 ZINC000441076338 501084191 /nfs/dbraw/zinc/08/41/91/501084191.db2.gz DCYCIOKKPZEDTM-UYAOXDASSA-N 1 1 370.449 3.460 20 5 FGBDMO COc1cc(CN(C)[C@H]2CC[N@H+](C(C)C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000449785658 501086778 /nfs/dbraw/zinc/08/67/78/501086778.db2.gz ICGYDZVQADTEJS-ZDUSSCGKSA-N 1 1 373.400 3.119 20 5 FGBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ncc([N+](=O)[O-])c(C)n1 ZINC000450361869 501100307 /nfs/dbraw/zinc/10/03/07/501100307.db2.gz GSYIQQUVEXBHNW-KRWDZBQOSA-N 1 1 355.442 3.042 20 5 FGBDMO CCC[C@@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)CC[N@H+]1Cc1ccccc1 ZINC000450423555 501119075 /nfs/dbraw/zinc/11/90/75/501119075.db2.gz IYSQCLPNZPNSKO-QGZVFWFLSA-N 1 1 355.442 3.184 20 5 FGBDMO CC[N@H+]1CCC[C@@H](NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436423748 501125059 /nfs/dbraw/zinc/12/50/59/501125059.db2.gz VZINGBBOGZHCKP-CYBMUJFWSA-N 1 1 367.424 3.035 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+](CC2CCC2)C(C)C)cc1[N+](=O)[O-] ZINC000446922700 501181608 /nfs/dbraw/zinc/18/16/08/501181608.db2.gz ZRXLNORYFMTALL-UHFFFAOYSA-N 1 1 350.415 3.157 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000447077614 501202090 /nfs/dbraw/zinc/20/20/90/501202090.db2.gz OAVCYYPFRSCQBN-ROUUACIJSA-N 1 1 355.438 3.198 20 5 FGBDMO C[C@@H]1Cc2[nH+]cn(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)c2C[C@@H]1C ZINC000450995238 501237521 /nfs/dbraw/zinc/23/75/21/501237521.db2.gz DQPAFKRYMCRRDI-NEPJUHHUSA-N 1 1 353.382 3.260 20 5 FGBDMO C[C@H]1Cc2[nH+]cn(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)c2C[C@@H]1C ZINC000450995240 501237534 /nfs/dbraw/zinc/23/75/34/501237534.db2.gz DQPAFKRYMCRRDI-RYUDHWBXSA-N 1 1 353.382 3.260 20 5 FGBDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000592784503 506242703 /nfs/dbraw/zinc/24/27/03/506242703.db2.gz IFFOKDIYVWBTSC-AWEZNQCLSA-N 1 1 356.426 3.496 20 5 FGBDMO O=[N+]([O-])c1cccc([C@@H](NC[C@@H]2CCC[N@@H+]2CCCO)c2ccccc2)c1 ZINC000453272461 501304595 /nfs/dbraw/zinc/30/45/95/501304595.db2.gz UYCFTQOKKDOZEC-SFTDATJTSA-N 1 1 369.465 3.121 20 5 FGBDMO O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@@H]2CCCN2CCCO)c2ccccc2)c1 ZINC000453272461 501304597 /nfs/dbraw/zinc/30/45/97/501304597.db2.gz UYCFTQOKKDOZEC-SFTDATJTSA-N 1 1 369.465 3.121 20 5 FGBDMO Cn1cc(-c2cc(C[N@H+]3CCC[C@@H](c4ccc([N+](=O)[O-])cc4)C3)on2)cn1 ZINC000451553632 501321486 /nfs/dbraw/zinc/32/14/86/501321486.db2.gz YFGPNLDOBBLUCB-OAHLLOKOSA-N 1 1 367.409 3.363 20 5 FGBDMO CN(Cc1cc(Br)c([N+](=O)[O-])s1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000602652234 506246168 /nfs/dbraw/zinc/24/61/68/506246168.db2.gz ALXIOEKIIANIGP-ZACCUICWSA-N 1 1 374.304 3.476 20 5 FGBDMO COCC[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1cccc(C(F)(F)F)c1 ZINC000451696130 501353062 /nfs/dbraw/zinc/35/30/62/501353062.db2.gz RXTLAAOQVLIWQL-CYBMUJFWSA-N 1 1 372.347 3.215 20 5 FGBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCCC[C@H]2c2ccc(Cl)cc2)c1 ZINC000451730798 501361706 /nfs/dbraw/zinc/36/17/06/501361706.db2.gz CBMXOWGNIGRDLB-IRXDYDNUSA-N 1 1 364.833 3.033 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCOCC12CCCCC2 ZINC000451815811 501378739 /nfs/dbraw/zinc/37/87/39/501378739.db2.gz NBVNBOWMBBSOAM-UHFFFAOYSA-N 1 1 361.442 3.267 20 5 FGBDMO C[N@H+]1CCC[C@H](CCNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000458171919 501384501 /nfs/dbraw/zinc/38/45/01/501384501.db2.gz BEVYZHKYOFOSRQ-LLVKDONJSA-N 1 1 359.348 3.075 20 5 FGBDMO C[N@H+]1CCC[C@H](CCNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000458177814 501385341 /nfs/dbraw/zinc/38/53/41/501385341.db2.gz VTYCLUWHCOZWIT-CYBMUJFWSA-N 1 1 374.466 3.180 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@]3(CCSC3)C2)cccc1[N+](=O)[O-] ZINC000451987600 501414317 /nfs/dbraw/zinc/41/43/17/501414317.db2.gz YUMWHNYKVJEQAG-KSSFIOAISA-N 1 1 363.483 3.449 20 5 FGBDMO Cn1nc(C(=O)OC(C)(C)C)cc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000602673846 506256953 /nfs/dbraw/zinc/25/69/53/506256953.db2.gz SXNZFFOYIHWAMG-UHFFFAOYSA-N 1 1 374.441 3.309 20 5 FGBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454467148 501552140 /nfs/dbraw/zinc/55/21/40/501552140.db2.gz MZYAEYODHJDVFQ-RDJZCZTQSA-N 1 1 362.474 3.214 20 5 FGBDMO CCn1cc([C@H](C)[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)cn1 ZINC000602682786 506260076 /nfs/dbraw/zinc/26/00/76/506260076.db2.gz RYKJYLAZWPHHFH-QMMMGPOBSA-N 1 1 359.249 3.486 20 5 FGBDMO C[N@H+]1CCC[C@@H](CCNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000459296177 501626506 /nfs/dbraw/zinc/62/65/06/501626506.db2.gz JDZWMHJAIVJIBY-HNNXBMFYSA-N 1 1 360.458 3.001 20 5 FGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000456979172 501629265 /nfs/dbraw/zinc/62/92/65/501629265.db2.gz BGLXABMCHOZROG-KDOFPFPSSA-N 1 1 371.462 3.249 20 5 FGBDMO C[N@H+]1C[C@@H](CNCc2nc3cc([N+](=O)[O-])ccc3o2)[C@H](c2ccccc2)C1 ZINC000602694684 506264544 /nfs/dbraw/zinc/26/45/44/506264544.db2.gz BETAWHYHEWLMGC-WBVHZDCISA-N 1 1 366.421 3.171 20 5 FGBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000457087553 501648100 /nfs/dbraw/zinc/64/81/00/501648100.db2.gz PZBMKQAZCZVBCA-ZFWWWQNUSA-N 1 1 351.472 3.017 20 5 FGBDMO CC1(C)Cc2ccsc2C[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000459583368 501681340 /nfs/dbraw/zinc/68/13/40/501681340.db2.gz PCTQKXPPMWCFSZ-CQSZACIVSA-N 1 1 362.451 3.233 20 5 FGBDMO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000459778066 501712511 /nfs/dbraw/zinc/71/25/11/501712511.db2.gz ZBXOUPPSHMDRLF-AWEZNQCLSA-N 1 1 371.412 3.186 20 5 FGBDMO CCO[C@@H]1C[C@H]([N@@H+](C)CCOc2ccc(OC)cc2[N+](=O)[O-])C12CCC2 ZINC000477843366 501805806 /nfs/dbraw/zinc/80/58/06/501805806.db2.gz CATXSTAHEPTOMR-ZWKOTPCHSA-N 1 1 364.442 3.262 20 5 FGBDMO Cc1cc(NCC2(N3CCCCC3)CC[NH+](C)CC2)c([N+](=O)[O-])s1 ZINC000596138148 506275612 /nfs/dbraw/zinc/27/56/12/506275612.db2.gz GIDYVAIMTUXQCO-UHFFFAOYSA-N 1 1 352.504 3.327 20 5 FGBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000485543734 501853702 /nfs/dbraw/zinc/85/37/02/501853702.db2.gz MSGVLUGJRMDXFG-SFHVURJKSA-N 1 1 369.421 3.231 20 5 FGBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000485543734 501853706 /nfs/dbraw/zinc/85/37/06/501853706.db2.gz MSGVLUGJRMDXFG-SFHVURJKSA-N 1 1 369.421 3.231 20 5 FGBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000470945650 501864097 /nfs/dbraw/zinc/86/40/97/501864097.db2.gz NKFWZRTXOMUNRO-HNNXBMFYSA-N 1 1 371.437 3.244 20 5 FGBDMO CSc1cccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000485750787 501924340 /nfs/dbraw/zinc/92/43/40/501924340.db2.gz COSLENDAKWEUDQ-OAHLLOKOSA-N 1 1 371.462 3.321 20 5 FGBDMO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000485756967 501926326 /nfs/dbraw/zinc/92/63/26/501926326.db2.gz GZOLSTVYMOTELI-JKSUJKDBSA-N 1 1 363.458 3.367 20 5 FGBDMO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000485756967 501926331 /nfs/dbraw/zinc/92/63/31/501926331.db2.gz GZOLSTVYMOTELI-JKSUJKDBSA-N 1 1 363.458 3.367 20 5 FGBDMO CC(C)N(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000592874569 506285624 /nfs/dbraw/zinc/28/56/24/506285624.db2.gz TVKHIBSPVKQTQV-MRXNPFEDSA-N 1 1 356.426 3.048 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+](CCO)CC3CCCCC3)n2)c1 ZINC000485886952 501976235 /nfs/dbraw/zinc/97/62/35/501976235.db2.gz DSLOIIFHVOPDHU-UHFFFAOYSA-N 1 1 360.414 3.019 20 5 FGBDMO Cc1cccc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000471381284 502004847 /nfs/dbraw/zinc/00/48/47/502004847.db2.gz VAAOJBVQKNOANV-HDICACEKSA-N 1 1 365.433 3.107 20 5 FGBDMO C[C@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@H]1C ZINC000478644678 502043254 /nfs/dbraw/zinc/04/32/54/502043254.db2.gz UJYCHVKFYBXASO-KFWWJZLASA-N 1 1 365.499 3.455 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000475091993 502053625 /nfs/dbraw/zinc/05/36/25/502053625.db2.gz KXVVHDAWATZDCM-CQSZACIVSA-N 1 1 350.415 3.015 20 5 FGBDMO Cc1[nH+]ccn1CCCN(C)c1c(Br)cccc1[N+](=O)[O-] ZINC000596170021 506291526 /nfs/dbraw/zinc/29/15/26/506291526.db2.gz OJWCWSICKCEVIR-UHFFFAOYSA-N 1 1 353.220 3.389 20 5 FGBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000468494535 502080678 /nfs/dbraw/zinc/08/06/78/502080678.db2.gz CQADXFDKJOJUOI-QGZVFWFLSA-N 1 1 362.474 3.024 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC1([NH+]2CCCC2)CCOCC1 ZINC000468643838 502134443 /nfs/dbraw/zinc/13/44/43/502134443.db2.gz URRUYGWINUOHQZ-GHRIWEEISA-N 1 1 359.470 3.233 20 5 FGBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000461545434 502140843 /nfs/dbraw/zinc/14/08/43/502140843.db2.gz SPVBIUGBZBCRQL-NSHDSACASA-N 1 1 372.263 3.208 20 5 FGBDMO C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@H]1c1ccc(Cl)cc1 ZINC000596180906 506296007 /nfs/dbraw/zinc/29/60/07/506296007.db2.gz ZVAMSSNRWCABQR-DOTOQJQBSA-N 1 1 374.828 3.204 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@H]3Cc3ccccc3)n2)c1 ZINC000479129427 502171632 /nfs/dbraw/zinc/17/16/32/502171632.db2.gz PWXMJJXPEHTYSE-INIZCTEOSA-N 1 1 350.378 3.462 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@H]3Cc3ccccc3)n2)c1 ZINC000479129427 502171638 /nfs/dbraw/zinc/17/16/38/502171638.db2.gz PWXMJJXPEHTYSE-INIZCTEOSA-N 1 1 350.378 3.462 20 5 FGBDMO Cc1cc(N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461890917 502226262 /nfs/dbraw/zinc/22/62/62/502226262.db2.gz OSWBNNKSSHWZOC-OLZOCXBDSA-N 1 1 373.375 3.221 20 5 FGBDMO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000482962251 502229808 /nfs/dbraw/zinc/22/98/08/502229808.db2.gz KGFDVJPYHWKFSH-QGZVFWFLSA-N 1 1 373.840 3.181 20 5 FGBDMO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000482962251 502229814 /nfs/dbraw/zinc/22/98/14/502229814.db2.gz KGFDVJPYHWKFSH-QGZVFWFLSA-N 1 1 373.840 3.181 20 5 FGBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@]2(CO)Cc2ccccc2)cc1 ZINC000475651339 502243060 /nfs/dbraw/zinc/24/30/60/502243060.db2.gz OMIRRNCHPBPNCL-FQEVSTJZSA-N 1 1 356.422 3.043 20 5 FGBDMO Cc1cc(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c(F)cc1[N+](=O)[O-] ZINC000461936267 502244229 /nfs/dbraw/zinc/24/42/29/502244229.db2.gz MVIFZMQIBNCPRR-INIZCTEOSA-N 1 1 359.401 3.221 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@]2(CO)Cc2ccccc2)c([N+](=O)[O-])cc1F ZINC000475679689 502252537 /nfs/dbraw/zinc/25/25/37/502252537.db2.gz NJVHUQXUPBESFZ-HXUWFJFHSA-N 1 1 374.412 3.312 20 5 FGBDMO C[C@H]1[C@@H](Cc2ccccc2)CC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000472338995 502321245 /nfs/dbraw/zinc/32/12/45/502321245.db2.gz AWJQAWNPUTVBHE-GOEBONIOSA-N 1 1 353.422 3.147 20 5 FGBDMO C[N@@H+](CCOc1ccccc1C(C)(C)C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000483307879 502345701 /nfs/dbraw/zinc/34/57/01/502345701.db2.gz HYORRRSBAMBYSB-UHFFFAOYSA-N 1 1 373.453 3.065 20 5 FGBDMO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1Br ZINC000472430807 502349294 /nfs/dbraw/zinc/34/92/94/502349294.db2.gz JTLYZDSBIFVLSF-UHFFFAOYSA-N 1 1 353.220 3.076 20 5 FGBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1Br ZINC000472430807 502349296 /nfs/dbraw/zinc/34/92/96/502349296.db2.gz JTLYZDSBIFVLSF-UHFFFAOYSA-N 1 1 353.220 3.076 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000487142649 502370974 /nfs/dbraw/zinc/37/09/74/502370974.db2.gz ORGCEKJNUFAVEP-SFHVURJKSA-N 1 1 367.449 3.198 20 5 FGBDMO COc1c(C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000476231446 502421890 /nfs/dbraw/zinc/42/18/90/502421890.db2.gz DJLKNDMXAQIQFC-OAHLLOKOSA-N 1 1 371.437 3.244 20 5 FGBDMO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487388617 502432262 /nfs/dbraw/zinc/43/22/62/502432262.db2.gz MGTKMAQXLHLYSU-GDBMZVCRSA-N 1 1 371.412 3.374 20 5 FGBDMO CCn1nc(C)c([N+](=O)[O-])c1Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000479982750 502437046 /nfs/dbraw/zinc/43/70/46/502437046.db2.gz CSBDJOYDDNYMDF-AWEZNQCLSA-N 1 1 359.430 3.256 20 5 FGBDMO CCC[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000462503425 502467159 /nfs/dbraw/zinc/46/71/59/502467159.db2.gz QAVNEXSAVBEMDC-KRWDZBQOSA-N 1 1 370.453 3.135 20 5 FGBDMO C[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@H](C)C1 ZINC000466243615 502514602 /nfs/dbraw/zinc/51/46/02/502514602.db2.gz VIXGTCCJOHWKEJ-STQMWFEESA-N 1 1 368.865 3.168 20 5 FGBDMO C[C@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000487813833 502536089 /nfs/dbraw/zinc/53/60/89/502536089.db2.gz BMUUZZRNPMTLBZ-LSDHHAIUSA-N 1 1 362.474 3.250 20 5 FGBDMO Cc1[nH+]cn(-c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2)c1C ZINC000462776020 502566460 /nfs/dbraw/zinc/56/64/60/502566460.db2.gz NODRZXQTKMEGBZ-UHFFFAOYSA-N 1 1 366.377 3.415 20 5 FGBDMO Cc1[nH+]cn(-c2ccc(NC(=O)COc3cccc([N+](=O)[O-])c3)cc2)c1C ZINC000462778428 502567493 /nfs/dbraw/zinc/56/74/93/502567493.db2.gz VTNMBRRBINOAQB-UHFFFAOYSA-N 1 1 366.377 3.415 20 5 FGBDMO Cc1cc(OCC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000484147971 502584425 /nfs/dbraw/zinc/58/44/25/502584425.db2.gz QKKWTMWMKXUGRU-MRXNPFEDSA-N 1 1 363.458 3.053 20 5 FGBDMO C[N@H+]1CCC[C@]2(CCN(c3c(Br)cccc3[N+](=O)[O-])C2)C1 ZINC000596242916 506326537 /nfs/dbraw/zinc/32/65/37/506326537.db2.gz DKBSMTWHAVQAIL-HNNXBMFYSA-N 1 1 354.248 3.279 20 5 FGBDMO Cc1cc(N2CC[C@H](c3[nH+]ccn3C)C2)c(Br)cc1[N+](=O)[O-] ZINC000473504108 502612471 /nfs/dbraw/zinc/61/24/71/502612471.db2.gz CHUDFRFNAIBWGP-NSHDSACASA-N 1 1 365.231 3.393 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473506499 502614197 /nfs/dbraw/zinc/61/41/97/502614197.db2.gz IIWKATWOMIDSMB-FQEVSTJZSA-N 1 1 368.437 3.051 20 5 FGBDMO CC(C)C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000466666159 502636317 /nfs/dbraw/zinc/63/63/17/502636317.db2.gz LOMVUDSZONGMJU-ZDUSSCGKSA-N 1 1 363.414 3.163 20 5 FGBDMO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000470139957 502675038 /nfs/dbraw/zinc/67/50/38/502675038.db2.gz BZAGAEREAAKVAJ-SKDZVZGDSA-N 1 1 371.462 3.409 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCN(c2nc(C)ns2)CC1 ZINC000470174207 502693839 /nfs/dbraw/zinc/69/38/39/502693839.db2.gz IWLOSKUJLKVBAF-SDNWHVSQSA-N 1 1 373.482 3.370 20 5 FGBDMO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470215651 502706739 /nfs/dbraw/zinc/70/67/39/502706739.db2.gz XASARDNKIDVSLM-MLCXVWHNSA-N 1 1 362.426 3.041 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000488457832 502719576 /nfs/dbraw/zinc/71/95/76/502719576.db2.gz MNEXGCMHOSFKBH-HNAYVOBHSA-N 1 1 353.422 3.235 20 5 FGBDMO CC[C@@H]1Cc2ccccc2C[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000466934455 502731673 /nfs/dbraw/zinc/73/16/73/502731673.db2.gz PAGRJBLTHWMOIP-QZTJIDSGSA-N 1 1 356.422 3.171 20 5 FGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC([N@H+]2CCCOCC2)CC1 ZINC000596268131 506334751 /nfs/dbraw/zinc/33/47/51/506334751.db2.gz GQJBIUFGDJBCHV-UHFFFAOYSA-N 1 1 373.375 3.305 20 5 FGBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000488738366 502797099 /nfs/dbraw/zinc/79/70/99/502797099.db2.gz YUHPCEZORPGMPK-ZDUSSCGKSA-N 1 1 361.442 3.000 20 5 FGBDMO C[C@H]1C[C@H]1[N@H+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@@H](C)C1 ZINC000488745504 502801187 /nfs/dbraw/zinc/80/11/87/502801187.db2.gz BHJPCVXZATWURR-TYNCELHUSA-N 1 1 355.385 3.363 20 5 FGBDMO CC(C)CCSc1ccc(C(=O)NCC[NH+]2CCC2)cc1[N+](=O)[O-] ZINC000505441812 502905522 /nfs/dbraw/zinc/90/55/22/502905522.db2.gz IJTMIQAPEFQAPQ-UHFFFAOYSA-N 1 1 351.472 3.169 20 5 FGBDMO CCc1ccc([C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3C)CC[NH2+]2)cc1 ZINC000505483765 502914033 /nfs/dbraw/zinc/91/40/33/502914033.db2.gz LXXHYTHBXZUNJN-SFHVURJKSA-N 1 1 353.422 3.252 20 5 FGBDMO CN(Cc1cc(O)ccc1[N+](=O)[O-])C1CC[NH+](Cc2ccccc2)CC1 ZINC000513456090 502944001 /nfs/dbraw/zinc/94/40/01/502944001.db2.gz OVVRJTMRKLEVRC-UHFFFAOYSA-N 1 1 355.438 3.397 20 5 FGBDMO CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(NCc2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000509641952 502955129 /nfs/dbraw/zinc/95/51/29/502955129.db2.gz VVSMHRJAAZBAKS-WMZOPIPTSA-N 1 1 371.441 3.034 20 5 FGBDMO Cn1cc[nH+]c1CC1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000509659252 502960119 /nfs/dbraw/zinc/96/01/19/502960119.db2.gz VYSIIDHMLJLZRW-UHFFFAOYSA-N 1 1 350.369 3.061 20 5 FGBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000588821956 506345708 /nfs/dbraw/zinc/34/57/08/506345708.db2.gz SUMOBYXFTYZEDE-HNNXBMFYSA-N 1 1 354.414 3.249 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000489907490 503061694 /nfs/dbraw/zinc/06/16/94/503061694.db2.gz CVHDJOFAXXSTIZ-KBMXLJTQSA-N 1 1 362.474 3.384 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000489907165 503061790 /nfs/dbraw/zinc/06/17/90/503061790.db2.gz CVHDJOFAXXSTIZ-BMFZPTHFSA-N 1 1 362.474 3.384 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]CCc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000514081100 503082356 /nfs/dbraw/zinc/08/23/56/503082356.db2.gz ARZDVCHNBKHFIX-GOSISDBHSA-N 1 1 354.385 3.389 20 5 FGBDMO COc1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OC)c1 ZINC000514088214 503084887 /nfs/dbraw/zinc/08/48/87/503084887.db2.gz KPEDQNBPEDOMQY-ZDUSSCGKSA-N 1 1 373.409 3.071 20 5 FGBDMO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OC)c1 ZINC000514088214 503084888 /nfs/dbraw/zinc/08/48/88/503084888.db2.gz KPEDQNBPEDOMQY-ZDUSSCGKSA-N 1 1 373.409 3.071 20 5 FGBDMO COc1ccc(C[N@H+]2CCCOCC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000510557826 503144057 /nfs/dbraw/zinc/14/40/57/503144057.db2.gz GUJNONKDHGWZAE-UHFFFAOYSA-N 1 1 372.421 3.405 20 5 FGBDMO Cn1nccc1[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000510693050 503174546 /nfs/dbraw/zinc/17/45/46/503174546.db2.gz MANUWOSDBIAONO-GFCCVEGCSA-N 1 1 366.368 3.309 20 5 FGBDMO Cn1nccc1[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000510693050 503174551 /nfs/dbraw/zinc/17/45/51/503174551.db2.gz MANUWOSDBIAONO-GFCCVEGCSA-N 1 1 366.368 3.309 20 5 FGBDMO C[C@@]1(CNC(=O)c2csc([N+](=O)[O-])c2)CCC[N@H+]1Cc1ccccc1 ZINC000490515381 503187231 /nfs/dbraw/zinc/18/72/31/503187231.db2.gz VZPIZFTVYXJUTO-SFHVURJKSA-N 1 1 359.451 3.441 20 5 FGBDMO CC[N@@H+]1C[C@H](C)N(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000498558893 503211241 /nfs/dbraw/zinc/21/12/41/503211241.db2.gz XRTGFHSHTMHFLD-IHRRRGAJSA-N 1 1 351.472 3.017 20 5 FGBDMO CC[N@H+]1C[C@H](C)N(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000498558893 503211245 /nfs/dbraw/zinc/21/12/45/503211245.db2.gz XRTGFHSHTMHFLD-IHRRRGAJSA-N 1 1 351.472 3.017 20 5 FGBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@@H]1C ZINC000498573914 503217089 /nfs/dbraw/zinc/21/70/89/503217089.db2.gz FRTOJOKAJRHTEX-WDEREUQCSA-N 1 1 359.348 3.168 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000502565551 503226377 /nfs/dbraw/zinc/22/63/77/503226377.db2.gz FFKNHKFFKOMGHT-UHFFFAOYSA-N 1 1 367.449 3.470 20 5 FGBDMO C[C@H](c1cn(-c2ccccc2)nn1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511106941 503256562 /nfs/dbraw/zinc/25/65/62/503256562.db2.gz MSEJYFHXGVKPLV-OAHLLOKOSA-N 1 1 351.410 3.411 20 5 FGBDMO C[C@H](c1cn(-c2ccccc2)nn1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511106941 503256564 /nfs/dbraw/zinc/25/65/64/503256564.db2.gz MSEJYFHXGVKPLV-OAHLLOKOSA-N 1 1 351.410 3.411 20 5 FGBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H]1OCCc2ccccc21 ZINC000507240155 503258100 /nfs/dbraw/zinc/25/81/00/503258100.db2.gz BKUYTLXZJBCDSG-IBGZPJMESA-N 1 1 369.421 3.169 20 5 FGBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc2c(c1)NC(=O)CO2 ZINC000507253723 503261596 /nfs/dbraw/zinc/26/15/96/503261596.db2.gz RGGAVTAMRIJIBU-UHFFFAOYSA-N 1 1 355.394 3.336 20 5 FGBDMO CN(C)C(=O)NCC[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000499238640 503362448 /nfs/dbraw/zinc/36/24/48/503362448.db2.gz AWWJBRMTAYAFIG-UHFFFAOYSA-N 1 1 362.455 3.026 20 5 FGBDMO CC[N@@H+](Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000593068692 506371131 /nfs/dbraw/zinc/37/11/31/506371131.db2.gz GLGQGLAQRATOTJ-CYBMUJFWSA-N 1 1 374.384 3.248 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000507927544 503397197 /nfs/dbraw/zinc/39/71/97/503397197.db2.gz LAZVZLHEDJNYHD-SFHVURJKSA-N 1 1 354.385 3.389 20 5 FGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1 ZINC000503403214 503401807 /nfs/dbraw/zinc/40/18/07/503401807.db2.gz CUZTXAITJHOEAV-MRXNPFEDSA-N 1 1 370.453 3.386 20 5 FGBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000516103187 503446279 /nfs/dbraw/zinc/44/62/79/503446279.db2.gz ATPAHPFTAAWKTI-OZVIIMIRSA-N 1 1 351.834 3.051 20 5 FGBDMO O=[N+]([O-])c1ccccc1CN1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000593069082 506373515 /nfs/dbraw/zinc/37/35/15/506373515.db2.gz RRDVHFPRRDBUAW-RTWAWAEBSA-N 1 1 367.449 3.070 20 5 FGBDMO Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000493998127 503472892 /nfs/dbraw/zinc/47/28/92/503472892.db2.gz BYWPVHRBVBZWBH-CRAIPNDOSA-N 1 1 353.422 3.296 20 5 FGBDMO C[N@H+]1CCCC[C@H]1CCC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000503896912 503484522 /nfs/dbraw/zinc/48/45/22/503484522.db2.gz YYWWBASBDHDWOZ-HNNXBMFYSA-N 1 1 353.850 3.171 20 5 FGBDMO COc1cc(CNc2[nH+]ccn2Cc2ccccc2)cc([N+](=O)[O-])c1O ZINC000508472402 503499999 /nfs/dbraw/zinc/49/99/99/503499999.db2.gz PPDFMJMJSOIMDN-UHFFFAOYSA-N 1 1 354.366 3.166 20 5 FGBDMO O=[N+]([O-])c1ccc(OCC[N@H+](CCCO)[C@@H]2CCc3ccccc32)cc1 ZINC000512338395 503523806 /nfs/dbraw/zinc/52/38/06/503523806.db2.gz XYQRIAOSZUJILE-HXUWFJFHSA-N 1 1 356.422 3.346 20 5 FGBDMO COC(=O)[C@]1(C)C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C ZINC000504568463 503589891 /nfs/dbraw/zinc/58/98/91/503589891.db2.gz PBCSCWQVYXXAMW-BFUOFWGJSA-N 1 1 358.394 3.486 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000504695175 503605953 /nfs/dbraw/zinc/60/59/53/503605953.db2.gz MXTVITRQUNXKQK-JKSUJKDBSA-N 1 1 362.813 3.435 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000504695175 503605957 /nfs/dbraw/zinc/60/59/57/503605957.db2.gz MXTVITRQUNXKQK-JKSUJKDBSA-N 1 1 362.813 3.435 20 5 FGBDMO COc1ccc2c(c1)C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC2 ZINC000532929908 503659917 /nfs/dbraw/zinc/65/99/17/503659917.db2.gz PVODZAOLDNYGQK-UHFFFAOYSA-N 1 1 369.421 3.299 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](Cc1ccccc1)C[C@H](C)O ZINC000532973554 503683690 /nfs/dbraw/zinc/68/36/90/503683690.db2.gz IJPUTWWLVNRNFI-INIZCTEOSA-N 1 1 371.437 3.115 20 5 FGBDMO Cc1cc(C)cc([C@H]2CC[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)c1 ZINC000543246755 503698391 /nfs/dbraw/zinc/69/83/91/503698391.db2.gz ONDSULLHGRVRSB-PKOBYXMFSA-N 1 1 370.449 3.441 20 5 FGBDMO O=C([C@@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1)N1CCCC1 ZINC000517438809 503745925 /nfs/dbraw/zinc/74/59/25/503745925.db2.gz LAGWUVMLKMJRFT-MRXNPFEDSA-N 1 1 369.421 3.299 20 5 FGBDMO CCc1ccc([C@@H](N[C@H]2CC[N@@H+](CCOC)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543402649 503755626 /nfs/dbraw/zinc/75/56/26/503755626.db2.gz LXNJCUOSEZSFBR-JXFKEZNVSA-N 1 1 373.453 3.150 20 5 FGBDMO CCc1ccc([C@@H]([NH2+][C@H]2CCN(CCOC)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543402649 503755630 /nfs/dbraw/zinc/75/56/30/503755630.db2.gz LXNJCUOSEZSFBR-JXFKEZNVSA-N 1 1 373.453 3.150 20 5 FGBDMO CCc1ccc([C@H]([NH2+][C@H](C)C[S@@](C)=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543418592 503761840 /nfs/dbraw/zinc/76/18/40/503761840.db2.gz IVNQHCWQGJASAV-GPCNDRGHSA-N 1 1 350.440 3.196 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCN(C)c1ccccc1 ZINC000533282015 503790506 /nfs/dbraw/zinc/79/05/06/503790506.db2.gz IXNCBDDPXSTYLZ-UHFFFAOYSA-N 1 1 370.453 3.300 20 5 FGBDMO C[C@@H](NC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000537097382 503801372 /nfs/dbraw/zinc/80/13/72/503801372.db2.gz MSHBCYSORROUNQ-GDBMZVCRSA-N 1 1 360.458 3.029 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000540626683 503836994 /nfs/dbraw/zinc/83/69/94/503836994.db2.gz PSAJQEUIBHRVIB-INIZCTEOSA-N 1 1 363.458 3.005 20 5 FGBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000533484748 503861978 /nfs/dbraw/zinc/86/19/78/503861978.db2.gz ZBMMHGBUORDNKH-MRXNPFEDSA-N 1 1 368.393 3.125 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)cc1 ZINC000546967560 503940994 /nfs/dbraw/zinc/94/09/94/503940994.db2.gz HQKRYLSANMQFGS-INIZCTEOSA-N 1 1 365.393 3.419 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000533818147 503961915 /nfs/dbraw/zinc/96/19/15/503961915.db2.gz CBQAHHBRVKSMTO-KSSFIOAISA-N 1 1 368.437 3.450 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000533818147 503961923 /nfs/dbraw/zinc/96/19/23/503961923.db2.gz CBQAHHBRVKSMTO-KSSFIOAISA-N 1 1 368.437 3.450 20 5 FGBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2c2ccc(Br)s2)c1 ZINC000544191688 504042726 /nfs/dbraw/zinc/04/27/26/504042726.db2.gz PULGROQYOABKSG-NSHDSACASA-N 1 1 371.260 3.452 20 5 FGBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]2c2ccc(Br)s2)c1 ZINC000544191688 504042728 /nfs/dbraw/zinc/04/27/28/504042728.db2.gz PULGROQYOABKSG-NSHDSACASA-N 1 1 371.260 3.452 20 5 FGBDMO CC(C)C[C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000541350466 504102110 /nfs/dbraw/zinc/10/21/10/504102110.db2.gz IWWXCWWERHTETD-HNNXBMFYSA-N 1 1 354.472 3.127 20 5 FGBDMO CC(C)C[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000541350466 504102114 /nfs/dbraw/zinc/10/21/14/504102114.db2.gz IWWXCWWERHTETD-HNNXBMFYSA-N 1 1 354.472 3.127 20 5 FGBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000541399471 504117671 /nfs/dbraw/zinc/11/76/71/504117671.db2.gz VKGBXVDQYZKZBS-GFCCVEGCSA-N 1 1 371.890 3.187 20 5 FGBDMO C[C@H]([NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1ccccc1[N+](=O)[O-] ZINC000538277532 504184511 /nfs/dbraw/zinc/18/45/11/504184511.db2.gz UYLCXZOWDKDOLU-NWDGAFQWSA-N 1 1 359.348 3.046 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccccc1 ZINC000544623698 504195415 /nfs/dbraw/zinc/19/54/15/504195415.db2.gz BKHBACRKOCZFSH-IRXDYDNUSA-N 1 1 358.373 3.301 20 5 FGBDMO COc1ccc(NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000542032165 504342396 /nfs/dbraw/zinc/34/23/96/504342396.db2.gz MRHHZPKCIHXRKC-CQSZACIVSA-N 1 1 364.446 3.237 20 5 FGBDMO C[NH+](C)[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1cccc(Cl)c1 ZINC000531774376 504420601 /nfs/dbraw/zinc/42/06/01/504420601.db2.gz IUYZDOSAGFYCMZ-SFHVURJKSA-N 1 1 373.840 3.436 20 5 FGBDMO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000548454162 504451849 /nfs/dbraw/zinc/45/18/49/504451849.db2.gz KBVHZTNKQANJOI-GDBMZVCRSA-N 1 1 365.499 3.408 20 5 FGBDMO CCOC(=O)c1cc(N2CCC(C[N@@H+](C)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000539198030 504496637 /nfs/dbraw/zinc/49/66/37/504496637.db2.gz UOYQSENPSMKJDD-UHFFFAOYSA-N 1 1 363.458 3.328 20 5 FGBDMO C[C@H]1[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000520639700 504546827 /nfs/dbraw/zinc/54/68/27/504546827.db2.gz PMDKKGIHISBXGQ-KSSFIOAISA-N 1 1 354.410 3.379 20 5 FGBDMO COC1CC[NH+](C2(CNCc3ccc([N+](=O)[O-])cc3C)CCCC2)CC1 ZINC000542704516 504582878 /nfs/dbraw/zinc/58/28/78/504582878.db2.gz CQDYGYIRNHRTBA-UHFFFAOYSA-N 1 1 361.486 3.416 20 5 FGBDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000545832261 504608154 /nfs/dbraw/zinc/60/81/54/504608154.db2.gz GNFBJASPAUNMKM-SFHVURJKSA-N 1 1 371.412 3.314 20 5 FGBDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000545832261 504608159 /nfs/dbraw/zinc/60/81/59/504608159.db2.gz GNFBJASPAUNMKM-SFHVURJKSA-N 1 1 371.412 3.314 20 5 FGBDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000536047633 504618386 /nfs/dbraw/zinc/61/83/86/504618386.db2.gz KXEHRHBIABPMIE-GOSISDBHSA-N 1 1 368.437 3.316 20 5 FGBDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000536047633 504618391 /nfs/dbraw/zinc/61/83/91/504618391.db2.gz KXEHRHBIABPMIE-GOSISDBHSA-N 1 1 368.437 3.316 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000532584633 504702912 /nfs/dbraw/zinc/70/29/12/504702912.db2.gz ZXFIERHXMOUHJI-QGZVFWFLSA-N 1 1 353.422 3.406 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000543141004 504740013 /nfs/dbraw/zinc/74/00/13/504740013.db2.gz AZPMKLAYUFAJIF-QZTJIDSGSA-N 1 1 374.412 3.181 20 5 FGBDMO C[N@H+](Cc1cccc(Cl)c1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000532773186 504755546 /nfs/dbraw/zinc/75/55/46/504755546.db2.gz PFWOECFOTPFGQY-KRWDZBQOSA-N 1 1 359.813 3.486 20 5 FGBDMO C[N@@H+](Cc1cccc(Cl)c1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000532773186 504755551 /nfs/dbraw/zinc/75/55/51/504755551.db2.gz PFWOECFOTPFGQY-KRWDZBQOSA-N 1 1 359.813 3.486 20 5 FGBDMO CSc1cccc(C(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000565734124 504971486 /nfs/dbraw/zinc/97/14/86/504971486.db2.gz QKIXMKVTIBUBPE-ZDUSSCGKSA-N 1 1 363.483 3.263 20 5 FGBDMO CC[N@H+]1CC[C@H]2OCCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)[C@H]2C1 ZINC000556925879 505019171 /nfs/dbraw/zinc/01/91/71/505019171.db2.gz JVKZGLMZSHLHPM-AZUAARDMSA-N 1 1 371.437 3.150 20 5 FGBDMO CC1(C)Cc2cccc(C[NH+]3CCN(c4ccc([N+](=O)[O-])nc4)CC3)c2O1 ZINC000560444945 505086783 /nfs/dbraw/zinc/08/67/83/505086783.db2.gz MQICIYTYANYRQX-UHFFFAOYSA-N 1 1 368.437 3.026 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCOC[C@H]3C3CCC3)o2)c1 ZINC000566185621 505106995 /nfs/dbraw/zinc/10/69/95/505106995.db2.gz MPGDRXUBPODKAG-KRWDZBQOSA-N 1 1 357.410 3.293 20 5 FGBDMO C[C@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)[N@H+]1CCCC[C@H]1C ZINC000560514257 505110637 /nfs/dbraw/zinc/11/06/37/505110637.db2.gz IVLAOFAQLQXUDY-MDZRGWNJSA-N 1 1 371.485 3.270 20 5 FGBDMO COCCn1c(C)cc(C(=O)C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1C ZINC000554845591 505279255 /nfs/dbraw/zinc/27/92/55/505279255.db2.gz BYOZQCHQPAVPAD-UHFFFAOYSA-N 1 1 373.453 3.017 20 5 FGBDMO COCCn1c(C)cc(C(=O)C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1C ZINC000554845591 505279259 /nfs/dbraw/zinc/27/92/59/505279259.db2.gz BYOZQCHQPAVPAD-UHFFFAOYSA-N 1 1 373.453 3.017 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000558025894 505290168 /nfs/dbraw/zinc/29/01/68/505290168.db2.gz PSDNPDHTXBFDLK-IXIUHKBRSA-N 1 1 373.497 3.352 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@@H+](C)C2CCCCC2)c1 ZINC000554990984 505322187 /nfs/dbraw/zinc/32/21/87/505322187.db2.gz DOVKJJPKJVYCRS-UHFFFAOYSA-N 1 1 363.458 3.378 20 5 FGBDMO CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CCN1CCCCCC1 ZINC000566990941 505332409 /nfs/dbraw/zinc/33/24/09/505332409.db2.gz IHRQWCTWSBYLMW-UHFFFAOYSA-N 1 1 362.474 3.121 20 5 FGBDMO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CCN1CCCCCC1 ZINC000566990941 505332412 /nfs/dbraw/zinc/33/24/12/505332412.db2.gz IHRQWCTWSBYLMW-UHFFFAOYSA-N 1 1 362.474 3.121 20 5 FGBDMO C[C@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[N@H+](C2CCC2)C1 ZINC000561534473 505371674 /nfs/dbraw/zinc/37/16/74/505371674.db2.gz NTGSGNRGUVCLSM-CQSZACIVSA-N 1 1 372.469 3.116 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H](c2ccco2)c2ccccc2)c1 ZINC000561839087 505447026 /nfs/dbraw/zinc/44/70/26/505447026.db2.gz KWAGLEAGULVCGO-YLJYHZDGSA-N 1 1 368.389 3.307 20 5 FGBDMO COC(=O)COc1ccc(CNc2cccc(C3CC3)[nH+]2)cc1[N+](=O)[O-] ZINC000555601646 505469880 /nfs/dbraw/zinc/46/98/80/505469880.db2.gz XROUNUQYOPRJGT-UHFFFAOYSA-N 1 1 357.366 3.031 20 5 FGBDMO COC(=O)[C@H](C)Oc1ccc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000561968654 505481646 /nfs/dbraw/zinc/48/16/46/505481646.db2.gz DKGIIKXQQUYOTK-HNNXBMFYSA-N 1 1 372.421 3.210 20 5 FGBDMO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C)(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000562052810 505504207 /nfs/dbraw/zinc/50/42/07/505504207.db2.gz SAKHFESZOIBVQU-CYBMUJFWSA-N 1 1 361.442 3.443 20 5 FGBDMO CC(C)(C)N1CC[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O ZINC000564961295 505563457 /nfs/dbraw/zinc/56/34/57/505563457.db2.gz OSGFYTOVKMYYBQ-MRXNPFEDSA-N 1 1 357.410 3.344 20 5 FGBDMO Cc1ccc(Sc2ccc(C[N@@H+](C)[C@@H]3COC[C@H]3O)cc2[N+](=O)[O-])cc1 ZINC000589188604 506475972 /nfs/dbraw/zinc/47/59/72/506475972.db2.gz BCCDYNGIRNHWSY-QZTJIDSGSA-N 1 1 374.462 3.246 20 5 FGBDMO Cc1ccc(Sc2ccc(C[N@H+](C)[C@@H]3COC[C@H]3O)cc2[N+](=O)[O-])cc1 ZINC000589188604 506475974 /nfs/dbraw/zinc/47/59/74/506475974.db2.gz BCCDYNGIRNHWSY-QZTJIDSGSA-N 1 1 374.462 3.246 20 5 FGBDMO CC(C)c1ccc(CN(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000589196098 506479437 /nfs/dbraw/zinc/47/94/37/506479437.db2.gz WXTFDXRRPQFWTM-IBGZPJMESA-N 1 1 374.529 3.319 20 5 FGBDMO CC(C)c1ccc(CN(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000589196098 506479443 /nfs/dbraw/zinc/47/94/43/506479443.db2.gz WXTFDXRRPQFWTM-IBGZPJMESA-N 1 1 374.529 3.319 20 5 FGBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000593226036 506480102 /nfs/dbraw/zinc/48/01/02/506480102.db2.gz HLVSSGCCOGPMGL-OWCLPIDISA-N 1 1 370.453 3.057 20 5 FGBDMO C[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@@H](Cc2ccccc2)C1 ZINC000593250470 506494109 /nfs/dbraw/zinc/49/41/09/506494109.db2.gz OGXRCDNZSTZHHK-INIZCTEOSA-N 1 1 372.400 3.125 20 5 FGBDMO C[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@@H](Cc2ccccc2)C1 ZINC000593250470 506494114 /nfs/dbraw/zinc/49/41/14/506494114.db2.gz OGXRCDNZSTZHHK-INIZCTEOSA-N 1 1 372.400 3.125 20 5 FGBDMO O=C1C[C@]2(CCCN(Cc3cc(O)ccc3[N+](=O)[O-])C2)Oc2ccccc21 ZINC000599576916 506507427 /nfs/dbraw/zinc/50/74/27/506507427.db2.gz XYLZIDDTHJEZPE-FQEVSTJZSA-N 1 1 368.389 3.300 20 5 FGBDMO COc1ccc(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000599585542 506512779 /nfs/dbraw/zinc/51/27/79/506512779.db2.gz FMCYJVVFCZRKPH-UKRRQHHQSA-N 1 1 364.442 3.403 20 5 FGBDMO COc1ccc(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000599585542 506512784 /nfs/dbraw/zinc/51/27/84/506512784.db2.gz FMCYJVVFCZRKPH-UKRRQHHQSA-N 1 1 364.442 3.403 20 5 FGBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000596677261 506528289 /nfs/dbraw/zinc/52/82/89/506528289.db2.gz UDDMKUDGQCAQBO-INIZCTEOSA-N 1 1 362.474 3.388 20 5 FGBDMO COc1ccc(-c2ccc(CN3C[C@@H]4CCC[C@]4(C[NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000593315448 506532794 /nfs/dbraw/zinc/53/27/94/506532794.db2.gz KBSOKQABOBIRTQ-XOBRGWDASA-N 1 1 371.437 3.424 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+][C@H]1CNc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000593319256 506535328 /nfs/dbraw/zinc/53/53/28/506535328.db2.gz KLFREQUPEBVVKF-APWZRJJASA-N 1 1 363.421 3.044 20 5 FGBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+](C)C[C@H]2C[C@@H](O)C2)cc1OC ZINC000599655446 506555954 /nfs/dbraw/zinc/55/59/54/506555954.db2.gz LZCSHWPABHZNEC-FMKPAKJESA-N 1 1 366.458 3.231 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC(OCC(C)C)CC2)c1 ZINC000589497116 506568809 /nfs/dbraw/zinc/56/88/09/506568809.db2.gz CHBOCZWPLXAGMY-UHFFFAOYSA-N 1 1 350.415 3.018 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)c1 ZINC000589502969 506572444 /nfs/dbraw/zinc/57/24/44/506572444.db2.gz IQSGIJSGACFDST-SFHVURJKSA-N 1 1 369.421 3.458 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)c1 ZINC000589502969 506572452 /nfs/dbraw/zinc/57/24/52/506572452.db2.gz IQSGIJSGACFDST-SFHVURJKSA-N 1 1 369.421 3.458 20 5 FGBDMO COc1ccc([C@@H]([NH2+]Cc2cc(OC)c(F)cc2[N+](=O)[O-])C2CC2)cn1 ZINC000599702147 506590366 /nfs/dbraw/zinc/59/03/66/506590366.db2.gz FVDRWXKYRYIVOO-SFHVURJKSA-N 1 1 361.373 3.387 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000599780323 506632669 /nfs/dbraw/zinc/63/26/69/506632669.db2.gz OTRWZWLQJVGTIT-OAHLLOKOSA-N 1 1 362.430 3.132 20 5 FGBDMO CCCCCNC(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000603848500 506634284 /nfs/dbraw/zinc/63/42/84/506634284.db2.gz SZJJAGRFODXUOV-UHFFFAOYSA-N 1 1 363.458 3.122 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000603864904 506642480 /nfs/dbraw/zinc/64/24/80/506642480.db2.gz NGQKRIKJSIGSSR-CALCHBBNSA-N 1 1 353.422 3.172 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000596890084 506658613 /nfs/dbraw/zinc/65/86/13/506658613.db2.gz JAHNKAIEFKGFNQ-ZDUSSCGKSA-N 1 1 364.446 3.235 20 5 FGBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599831452 506664794 /nfs/dbraw/zinc/66/47/94/506664794.db2.gz MFDZPOJXAVGCHW-CQSZACIVSA-N 1 1 371.441 3.339 20 5 FGBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599831451 506665715 /nfs/dbraw/zinc/66/57/15/506665715.db2.gz MFDZPOJXAVGCHW-AWEZNQCLSA-N 1 1 371.441 3.339 20 5 FGBDMO C[C@@H](NC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000604126729 506724976 /nfs/dbraw/zinc/72/49/76/506724976.db2.gz UMHBSQCHRBPQHU-BEFAXECRSA-N 1 1 368.437 3.354 20 5 FGBDMO C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000604126729 506724984 /nfs/dbraw/zinc/72/49/84/506724984.db2.gz UMHBSQCHRBPQHU-BEFAXECRSA-N 1 1 368.437 3.354 20 5 FGBDMO COc1ccccc1C[NH+]1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000609075610 506770593 /nfs/dbraw/zinc/77/05/93/506770593.db2.gz GTIHFJGXEYIZSU-MRXNPFEDSA-N 1 1 355.438 3.482 20 5 FGBDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000604384826 506812338 /nfs/dbraw/zinc/81/23/38/506812338.db2.gz GRURIQLAPSJXAP-UHFFFAOYSA-N 1 1 362.474 3.120 20 5 FGBDMO CO[C@@]1(CO)CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000597185971 506822265 /nfs/dbraw/zinc/82/22/65/506822265.db2.gz AJVFVFHIVVJQGN-SFHVURJKSA-N 1 1 362.451 3.297 20 5 FGBDMO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C[C@H]1COCCO1 ZINC000597205331 506834668 /nfs/dbraw/zinc/83/46/68/506834668.db2.gz JABQOTXQJBHLAZ-AWEZNQCLSA-N 1 1 366.801 3.355 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+]3CC[C@H]4COC[C@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000597232376 506849745 /nfs/dbraw/zinc/84/97/45/506849745.db2.gz UIPINGAZPDKKHB-UONOGXRCSA-N 1 1 358.394 3.332 20 5 FGBDMO CC(C)(C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000600228717 506859474 /nfs/dbraw/zinc/85/94/74/506859474.db2.gz DWFCSJNRXGUGSN-MRXNPFEDSA-N 1 1 359.470 3.396 20 5 FGBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000600228325 506860254 /nfs/dbraw/zinc/86/02/54/506860254.db2.gz JVXIXXWKXLARML-MRXNPFEDSA-N 1 1 365.861 3.314 20 5 FGBDMO COc1cc(NCc2ccccc2C[NH+]2CCOCC2)c([N+](=O)[O-])cc1C ZINC000590570673 506864709 /nfs/dbraw/zinc/86/47/09/506864709.db2.gz TZTUGLMZCVFPKV-UHFFFAOYSA-N 1 1 371.437 3.356 20 5 FGBDMO COC(=O)c1c(Cl)c(NCC[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000590572694 506865587 /nfs/dbraw/zinc/86/55/87/506865587.db2.gz QGJQMOKOUKIKGB-LLVKDONJSA-N 1 1 355.822 3.179 20 5 FGBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](CCCc2c(F)cccc2F)CC1 ZINC000594008236 506879017 /nfs/dbraw/zinc/87/90/17/506879017.db2.gz IHYRXVIDHYWCKO-UHFFFAOYSA-N 1 1 362.380 3.023 20 5 FGBDMO CCOC(=O)CC[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)C ZINC000594050141 506906960 /nfs/dbraw/zinc/90/69/60/506906960.db2.gz BFAAZNRVPOAVNU-UHFFFAOYSA-N 1 1 361.398 3.413 20 5 FGBDMO O=[N+]([O-])c1cc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cs1 ZINC000609707662 506980625 /nfs/dbraw/zinc/98/06/25/506980625.db2.gz PEOQMQLJPGSMJT-OCCSQVGLSA-N 1 1 360.357 3.280 20 5 FGBDMO C[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cn2C)CC[N@H+]1Cc1ccccc1 ZINC000609977960 507059713 /nfs/dbraw/zinc/05/97/13/507059713.db2.gz KLBWJUDDVZDNDF-NVXWUHKLSA-N 1 1 370.453 3.058 20 5 FGBDMO CC(C)Oc1cc(C(=O)N2CCC[N@H+](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000591037553 507089624 /nfs/dbraw/zinc/08/96/24/507089624.db2.gz FFBRVBMWCZEPHH-UHFFFAOYSA-N 1 1 363.458 3.328 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000597859877 507137653 /nfs/dbraw/zinc/13/76/53/507137653.db2.gz HPXWXSWJYGCNTN-HNNXBMFYSA-N 1 1 368.437 3.259 20 5 FGBDMO C[C@H](C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000597860215 507137803 /nfs/dbraw/zinc/13/78/03/507137803.db2.gz LYYZBYKYNFXXKX-QWHCGFSZSA-N 1 1 351.422 3.074 20 5 FGBDMO CC(C)NC(=O)c1ccc(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000594603318 507205288 /nfs/dbraw/zinc/20/52/88/507205288.db2.gz UCKVHLLPVXSDLO-RDJZCZTQSA-N 1 1 360.458 3.162 20 5 FGBDMO C[C@@H](c1ccc(NC(=O)c2c(F)cccc2[N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000601040584 507239149 /nfs/dbraw/zinc/23/91/49/507239149.db2.gz SHPMNOAQNRQOFC-ZDUSSCGKSA-N 1 1 373.384 3.379 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[C@@H](c4nnc5n4CCC5)C3)c2c1 ZINC000601113743 507265087 /nfs/dbraw/zinc/26/50/87/507265087.db2.gz PZYOEGKNKRGPBW-CYBMUJFWSA-N 1 1 364.409 3.065 20 5 FGBDMO CC[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@H]1C ZINC000613860859 507283516 /nfs/dbraw/zinc/28/35/16/507283516.db2.gz ILOXHXNTWFBMKB-SNVBAGLBSA-N 1 1 360.336 3.172 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cccnc1N1CCCC1 ZINC000594957511 507332081 /nfs/dbraw/zinc/33/20/81/507332081.db2.gz QGRRVTOYGKRNDQ-UHFFFAOYSA-N 1 1 356.426 3.279 20 5 FGBDMO CCOc1ccc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC000610675880 507343365 /nfs/dbraw/zinc/34/33/65/507343365.db2.gz TWTLHXFBICQCNE-UHFFFAOYSA-N 1 1 357.410 3.432 20 5 FGBDMO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000610676601 507343436 /nfs/dbraw/zinc/34/34/36/507343436.db2.gz BPCWHRZIWAXECP-MRXNPFEDSA-N 1 1 368.437 3.264 20 5 FGBDMO CC[C@@H]1CN(C)c2ccccc2C[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000610676601 507343439 /nfs/dbraw/zinc/34/34/39/507343439.db2.gz BPCWHRZIWAXECP-MRXNPFEDSA-N 1 1 368.437 3.264 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1ccc(CNC2CC[NH+]([C@H]3CCOC3)CC2)o1 ZINC000594993854 507345375 /nfs/dbraw/zinc/34/53/75/507345375.db2.gz RXXSHTDQCQXTQT-INIZCTEOSA-N 1 1 371.437 3.198 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCN(c2ccccc2)C1=O ZINC000595013162 507354412 /nfs/dbraw/zinc/35/44/12/507354412.db2.gz FTWVCZDQTDOCAA-GUYCJALGSA-N 1 1 355.394 3.060 20 5 FGBDMO COCCOc1ccccc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595015713 507355982 /nfs/dbraw/zinc/35/59/82/507355982.db2.gz FYYAIUBWEXLWGD-CQSZACIVSA-N 1 1 360.410 3.479 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c1 ZINC000591839066 507387156 /nfs/dbraw/zinc/38/71/56/507387156.db2.gz RDVWLHJDNBQHDZ-GOSISDBHSA-N 1 1 374.437 3.163 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000595096027 507389896 /nfs/dbraw/zinc/38/98/96/507389896.db2.gz YQGDGRPMNUKOIC-KGLIPLIRSA-N 1 1 350.369 3.299 20 5 FGBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1)c1ccccc1 ZINC000595342199 507465359 /nfs/dbraw/zinc/46/53/59/507465359.db2.gz LOPGKAOKAKAUEL-OAHLLOKOSA-N 1 1 371.412 3.376 20 5 FGBDMO O=C(NC[C@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1)c1ccccc1 ZINC000595342199 507465363 /nfs/dbraw/zinc/46/53/63/507465363.db2.gz LOPGKAOKAKAUEL-OAHLLOKOSA-N 1 1 371.412 3.376 20 5 FGBDMO O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000598507392 507465570 /nfs/dbraw/zinc/46/55/70/507465570.db2.gz AEOVTEOMISRXOK-INIZCTEOSA-N 1 1 364.405 3.080 20 5 FGBDMO COc1cccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1Cl ZINC000595369959 507472673 /nfs/dbraw/zinc/47/26/73/507472673.db2.gz BYTZZKJABRUCRP-ZDUSSCGKSA-N 1 1 362.817 3.338 20 5 FGBDMO COc1cccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1Cl ZINC000595369959 507472677 /nfs/dbraw/zinc/47/26/77/507472677.db2.gz BYTZZKJABRUCRP-ZDUSSCGKSA-N 1 1 362.817 3.338 20 5 FGBDMO COc1cccc(SCC[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000595374496 507474689 /nfs/dbraw/zinc/47/46/89/507474689.db2.gz COXWUYOANIYISY-AWEZNQCLSA-N 1 1 374.466 3.277 20 5 FGBDMO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000598557987 507485306 /nfs/dbraw/zinc/48/53/06/507485306.db2.gz BBGDVLFQCIUXJD-KRWDZBQOSA-N 1 1 374.485 3.025 20 5 FGBDMO C[C@H](C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000598558839 507486636 /nfs/dbraw/zinc/48/66/36/507486636.db2.gz DYUHUAIYXVJJPS-ZFWWWQNUSA-N 1 1 363.433 3.076 20 5 FGBDMO C[N@H+]1CCC[C@H]1CCN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592133043 507499435 /nfs/dbraw/zinc/49/94/35/507499435.db2.gz RUZUPQOSOWYIIL-FHWLQOOXSA-N 1 1 361.486 3.185 20 5 FGBDMO COc1ccccc1C1([NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000592143446 507505565 /nfs/dbraw/zinc/50/55/65/507505565.db2.gz ZRWBIQVOLMNDAW-UHFFFAOYSA-N 1 1 355.394 3.129 20 5 FGBDMO COC(=O)c1ccnc(Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)c1[N+](=O)[O-] ZINC000598607369 507516006 /nfs/dbraw/zinc/51/60/06/507516006.db2.gz LQIWAUVFQXPGMB-UHFFFAOYSA-N 1 1 367.365 3.284 20 5 FGBDMO Cc1noc(C[NH2+][C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000595488799 507527061 /nfs/dbraw/zinc/52/70/61/507527061.db2.gz MLWUWGFNPJDXBP-XJKSGUPXSA-N 1 1 368.796 3.219 20 5 FGBDMO Cc1noc(C[NH2+][C@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000595489170 507527281 /nfs/dbraw/zinc/52/72/81/507527281.db2.gz QMFVQALFQKFRCG-BBRMVZONSA-N 1 1 350.806 3.080 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000592192012 507532222 /nfs/dbraw/zinc/53/22/22/507532222.db2.gz FNJPMDWPQKEJRH-HNNXBMFYSA-N 1 1 361.442 3.265 20 5 FGBDMO CC1(C)C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCc2ccccc21 ZINC000595632294 507603680 /nfs/dbraw/zinc/60/36/80/507603680.db2.gz NFKQIUJFMCPPBC-UHFFFAOYSA-N 1 1 353.422 3.030 20 5 FGBDMO CCOc1cc(C[NH2+][C@H](COC)c2cccc(OC)c2)ccc1[N+](=O)[O-] ZINC000595685409 507628028 /nfs/dbraw/zinc/62/80/28/507628028.db2.gz XWKVSKIYFGLELU-QGZVFWFLSA-N 1 1 360.410 3.479 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)[C@H]2CCCC[C@H]12 ZINC000595730475 507651259 /nfs/dbraw/zinc/65/12/59/507651259.db2.gz JFQVYFDQHXFNGM-OAGGEKHMSA-N 1 1 362.426 3.157 20 5 FGBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000611478407 507700589 /nfs/dbraw/zinc/70/05/89/507700589.db2.gz YKOJCEPLOHFWLI-ZDUSSCGKSA-N 1 1 351.472 3.311 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](N(C)c3ccccc3)C2)c1 ZINC000595829735 507705458 /nfs/dbraw/zinc/70/54/58/507705458.db2.gz YFAGTEAKOKQNTP-SFHVURJKSA-N 1 1 369.421 3.092 20 5 FGBDMO C[C@@H]1C[C@H](N(C)Cc2cc(Br)c([N+](=O)[O-])s2)CC[N@H+]1C ZINC000602475594 507720149 /nfs/dbraw/zinc/72/01/49/507720149.db2.gz LHPMXQYXVAXETA-NXEZZACHSA-N 1 1 362.293 3.333 20 5 FGBDMO COC1CC[NH+](CCN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000611519744 507720279 /nfs/dbraw/zinc/72/02/79/507720279.db2.gz IVNBAOMGDAXNCS-OAQYLSRUSA-N 1 1 369.465 3.385 20 5 FGBDMO O=[N+]([O-])c1sc(CN[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1Br ZINC000602514713 507733389 /nfs/dbraw/zinc/73/33/89/507733389.db2.gz PPNRZCRPCFXWDS-RYUDHWBXSA-N 1 1 360.277 3.135 20 5 FGBDMO O=[N+]([O-])c1sc(C[NH2+][C@H]2CCN3CCCC[C@@H]23)cc1Br ZINC000602514713 507733394 /nfs/dbraw/zinc/73/33/94/507733394.db2.gz PPNRZCRPCFXWDS-RYUDHWBXSA-N 1 1 360.277 3.135 20 5 FGBDMO Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2C)c(N2CCCC2)[nH+]1 ZINC000611572179 507746222 /nfs/dbraw/zinc/74/62/22/507746222.db2.gz KNHQOZFQMQHQBV-UHFFFAOYSA-N 1 1 354.410 3.137 20 5 FGBDMO C[C@@H](CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000588104708 507764279 /nfs/dbraw/zinc/76/42/79/507764279.db2.gz XLKHYHNJWFCFSY-CVEARBPZSA-N 1 1 362.474 3.042 20 5 FGBDMO O=C(C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1)N1CCCC1 ZINC000172174440 705409156 /nfs/dbraw/zinc/40/91/56/705409156.db2.gz UGIIYXOPLIHVTJ-UHFFFAOYSA-N 1 1 351.834 3.083 20 5 FGBDMO CCS[C@@H]1CC[C@@H]([N@H+](C)Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000173487457 705460903 /nfs/dbraw/zinc/46/09/03/705460903.db2.gz RRWMQOJRGOFNJM-DGCLKSJQSA-N 1 1 351.428 3.066 20 5 FGBDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000173487457 705460908 /nfs/dbraw/zinc/46/09/08/705460908.db2.gz RRWMQOJRGOFNJM-DGCLKSJQSA-N 1 1 351.428 3.066 20 5 FGBDMO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000619574388 714854584 /nfs/dbraw/zinc/85/45/84/714854584.db2.gz VJROZFVQBIFLSG-UONOGXRCSA-N 1 1 363.414 3.068 20 5 FGBDMO Cc1cc(N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)cc[nH+]1 ZINC000766076356 723554254 /nfs/dbraw/zinc/55/42/54/723554254.db2.gz GNVKCAGZQFUIMA-UHFFFAOYSA-N 1 1 355.803 3.085 20 5 FGBDMO Cc1cc(Cl)nc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c1[N+](=O)[O-] ZINC001164725378 720363505 /nfs/dbraw/zinc/36/35/05/720363505.db2.gz NBRZPRRSCPLVAP-CABCVRRESA-N 1 1 373.844 3.200 20 5 FGBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cn3c4ccccc4oc3=S)CC2)n1 ZINC000782873132 724705730 /nfs/dbraw/zinc/70/57/30/724705730.db2.gz XMJXMGRQGJFKRI-UHFFFAOYSA-N 1 1 359.411 3.363 20 5 FGBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2ccc(Cn3cncn3)cc2)c1 ZINC000731448869 722475390 /nfs/dbraw/zinc/47/53/90/722475390.db2.gz GGCZBSZVMIBILC-UHFFFAOYSA-N 1 1 357.801 3.178 20 5 FGBDMO C[N@H+](CCc1ccc(Cl)cc1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000733299182 722495219 /nfs/dbraw/zinc/49/52/19/722495219.db2.gz LIPXJMYBFDPNTJ-UHFFFAOYSA-N 1 1 373.638 3.339 20 5 FGBDMO C[N@@H+](CCc1ccc(Cl)cc1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000733299182 722495220 /nfs/dbraw/zinc/49/52/20/722495220.db2.gz LIPXJMYBFDPNTJ-UHFFFAOYSA-N 1 1 373.638 3.339 20 5 FGBDMO O=C(C[N@@H+]1CCCC2(CCOCC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000741802378 722549280 /nfs/dbraw/zinc/54/92/80/722549280.db2.gz WBCZDORJVBSMRI-UHFFFAOYSA-N 1 1 367.833 3.079 20 5 FGBDMO O=C(C[N@H+]1CCCC2(CCOCC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000741802378 722549281 /nfs/dbraw/zinc/54/92/81/722549281.db2.gz WBCZDORJVBSMRI-UHFFFAOYSA-N 1 1 367.833 3.079 20 5 FGBDMO C[C@H](CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@H](C)C1 ZINC000756935903 722972147 /nfs/dbraw/zinc/97/21/47/722972147.db2.gz BQULZYQGFHOPCT-QWHCGFSZSA-N 1 1 368.865 3.168 20 5 FGBDMO CC(C)(C)c1ccc(C(=O)OCC[NH+]2CCSCC2)cc1[N+](=O)[O-] ZINC000757945123 722981698 /nfs/dbraw/zinc/98/16/98/722981698.db2.gz IZZOKSDMXOQLIN-UHFFFAOYSA-N 1 1 352.456 3.098 20 5 FGBDMO C[N@H+](CC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@H]1CCSC1 ZINC000791438895 723243864 /nfs/dbraw/zinc/24/38/64/723243864.db2.gz HPMJLVREMVTWQB-ZDUSSCGKSA-N 1 1 351.472 3.268 20 5 FGBDMO C[N@@H+](CC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@H]1CCSC1 ZINC000791438895 723243867 /nfs/dbraw/zinc/24/38/67/723243867.db2.gz HPMJLVREMVTWQB-ZDUSSCGKSA-N 1 1 351.472 3.268 20 5 FGBDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000791579541 723260603 /nfs/dbraw/zinc/26/06/03/723260603.db2.gz RBUHTOCVEAZZSA-ONGXEEELSA-N 1 1 363.311 3.335 20 5 FGBDMO CCC[N@@H+](CCc1cccs1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794640874 723537642 /nfs/dbraw/zinc/53/76/42/723537642.db2.gz UTFXUUFGXOJEAK-UHFFFAOYSA-N 1 1 361.423 3.476 20 5 FGBDMO C[N@H+](Cc1ccccc1)C[C@@H](O)COc1cc(F)c([N+](=O)[O-])cc1Cl ZINC000794753363 723544465 /nfs/dbraw/zinc/54/44/65/723544465.db2.gz UZDCFFLENFJERG-CYBMUJFWSA-N 1 1 368.792 3.259 20 5 FGBDMO CC1=C(Br)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000797527673 723830664 /nfs/dbraw/zinc/83/06/64/723830664.db2.gz FBSGQWFRAOHGLS-UHFFFAOYSA-N 1 1 368.231 3.298 20 5 FGBDMO CC1=C(Br)C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000797527673 723830666 /nfs/dbraw/zinc/83/06/66/723830666.db2.gz FBSGQWFRAOHGLS-UHFFFAOYSA-N 1 1 368.231 3.298 20 5 FGBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1 ZINC000776270253 724126576 /nfs/dbraw/zinc/12/65/76/724126576.db2.gz BEVBYOWNAICSBB-WMZOPIPTSA-N 1 1 362.451 3.371 20 5 FGBDMO C[N@H+]1CCCC[C@@H]1CCOC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000778889739 724370751 /nfs/dbraw/zinc/37/07/51/724370751.db2.gz ABEKIBKXWLODRQ-LLVKDONJSA-N 1 1 358.341 3.227 20 5 FGBDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000785836688 724941525 /nfs/dbraw/zinc/94/15/25/724941525.db2.gz BFLKKJLCWZZSTI-IUCAKERBSA-N 1 1 362.308 3.051 20 5 FGBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000785836688 724941526 /nfs/dbraw/zinc/94/15/26/724941526.db2.gz BFLKKJLCWZZSTI-IUCAKERBSA-N 1 1 362.308 3.051 20 5 FGBDMO CC(=O)N1CC[C@@H](C[N@H+](C)Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000809965539 725279241 /nfs/dbraw/zinc/27/92/41/725279241.db2.gz HYRQXMPUCRYVJF-NSHDSACASA-N 1 1 360.241 3.202 20 5 FGBDMO Cc1cnn([C@@H]2CC[N@H+](Cn3c4cc([N+](=O)[O-])ccc4oc3=S)C2)c1 ZINC000811799427 725380480 /nfs/dbraw/zinc/38/04/80/725380480.db2.gz WCYUUOPFGJDJSX-CYBMUJFWSA-N 1 1 359.411 3.281 20 5 FGBDMO Cc1cnn([C@@H]2CC[N@@H+](Cn3c4cc([N+](=O)[O-])ccc4oc3=S)C2)c1 ZINC000811799427 725380481 /nfs/dbraw/zinc/38/04/81/725380481.db2.gz WCYUUOPFGJDJSX-CYBMUJFWSA-N 1 1 359.411 3.281 20 5 FGBDMO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000817419016 727249566 /nfs/dbraw/zinc/24/95/66/727249566.db2.gz ODKNUVVIQDXBNV-GFCCVEGCSA-N 1 1 357.248 3.342 20 5 FGBDMO CC1(C)CC[N@@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)CCS1 ZINC000848485363 731170279 /nfs/dbraw/zinc/17/02/79/731170279.db2.gz LUPFMBRIQFEIAW-INIZCTEOSA-N 1 1 363.483 3.086 20 5 FGBDMO CC[N@@H+](CCc1cccs1)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853492038 731712864 /nfs/dbraw/zinc/71/28/64/731712864.db2.gz DUGRJHAQFZVAGH-UHFFFAOYSA-N 1 1 357.439 3.437 20 5 FGBDMO Cc1[nH+]ccn1CCCOC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000859999821 732430752 /nfs/dbraw/zinc/43/07/52/732430752.db2.gz XGAJGNASLQFAPU-UHFFFAOYSA-N 1 1 368.187 3.109 20 5 FGBDMO CC[N@@H+](CCNC(=O)c1cccc([N+](=O)[O-])c1Cl)CCC(F)(F)F ZINC000861318556 732659502 /nfs/dbraw/zinc/65/95/02/732659502.db2.gz PKBSVMVSTKETGV-UHFFFAOYSA-N 1 1 367.755 3.252 20 5 FGBDMO C[C@H]1C[NH+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](C)C1(F)F ZINC000863274320 732936658 /nfs/dbraw/zinc/93/66/58/732936658.db2.gz IWOVTQYFOYVCAY-RYUDHWBXSA-N 1 1 351.357 3.034 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)O[NH+]=C(N)CCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000863489566 732970066 /nfs/dbraw/zinc/97/00/66/732970066.db2.gz JIFBRHVIAXQWQA-VIFPVBQESA-N 1 1 362.308 3.071 20 5 FGBDMO C[C@@H]([NH2+]Cc1ccc(C[S@](C)=O)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872071927 735584664 /nfs/dbraw/zinc/58/46/64/735584664.db2.gz ZZOHVGUBRDLHLS-YYUOZPCZSA-N 1 1 350.415 3.463 20 5 FGBDMO CCS(=O)(=O)c1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)s1 ZINC000873118720 735721824 /nfs/dbraw/zinc/72/18/24/735721824.db2.gz RPDJGYRWJUJVEE-UHFFFAOYSA-N 1 1 354.453 3.048 20 5 FGBDMO CC(C)c1[nH+]ccn1CC(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000873881075 735813757 /nfs/dbraw/zinc/81/37/57/735813757.db2.gz FEBBSAIJGIITMW-UHFFFAOYSA-N 1 1 350.806 3.227 20 5 FGBDMO Cn1cc(C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2cccs2)c([N+](=O)[O-])n1 ZINC000876803729 736146839 /nfs/dbraw/zinc/14/68/39/736146839.db2.gz KCBSJOLZOXNYQC-HUUCEWRRSA-N 1 1 364.471 3.258 20 5 FGBDMO Cc1csc([C@H]2CC[N@@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C2)n1 ZINC000877813760 736727105 /nfs/dbraw/zinc/72/71/05/736727105.db2.gz OPKYMOYBKLEYID-LBPRGKRZSA-N 1 1 361.423 3.120 20 5 FGBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)CC1(CO)CCCC1 ZINC000877991829 736754390 /nfs/dbraw/zinc/75/43/90/736754390.db2.gz DHGBGBZDSVJWKO-GOSISDBHSA-N 1 1 350.459 3.109 20 5 FGBDMO Cn1ccc(-c2nc(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])cs2)n1 ZINC000878599207 736896833 /nfs/dbraw/zinc/89/68/33/736896833.db2.gz WHNHJKWSHQUQRC-UHFFFAOYSA-N 1 1 357.439 3.126 20 5 FGBDMO Cn1ccc(-c2nc(C[N@@H+](C)CCc3ccccc3[N+](=O)[O-])cs2)n1 ZINC000878599207 736896836 /nfs/dbraw/zinc/89/68/36/736896836.db2.gz WHNHJKWSHQUQRC-UHFFFAOYSA-N 1 1 357.439 3.126 20 5 FGBDMO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCCn3nccc32)c1Br ZINC000879786936 737046315 /nfs/dbraw/zinc/04/63/15/737046315.db2.gz BGUFEZSTEGEFJF-LLVKDONJSA-N 1 1 351.204 3.179 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@H](c3nc(C)cs3)C2)c([N+](=O)[O-])cc1F ZINC000880008323 737099066 /nfs/dbraw/zinc/09/90/66/737099066.db2.gz BSGQYKMCDJDVRE-NSHDSACASA-N 1 1 351.403 3.497 20 5 FGBDMO O=[N+]([O-])c1cc2cnn(C[N@H+]3CC[C@@H]([C@@H]4CCCO4)C3)c2c(Cl)c1 ZINC000884481296 737667765 /nfs/dbraw/zinc/66/77/65/737667765.db2.gz IUVYZFOGTCSFFV-ABAIWWIYSA-N 1 1 350.806 3.056 20 5 FGBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000888280963 739495653 /nfs/dbraw/zinc/49/56/53/739495653.db2.gz IMGFWDQBZBAEQD-YOGCLGLASA-N 1 1 352.822 3.303 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CNCCC1(F)F ZINC000903958361 743905329 /nfs/dbraw/zinc/90/53/29/743905329.db2.gz YOEWSGUGYJKULR-IMJJTQAJSA-N 1 1 353.413 3.140 20 5 FGBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000930944361 760737993 /nfs/dbraw/zinc/73/79/93/760737993.db2.gz DHYYQOKQUHGOAB-ZDUSSCGKSA-N 1 1 353.850 3.027 20 5 FGBDMO CC[N@H+]1CCC[C@H](CNC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000931125179 760784616 /nfs/dbraw/zinc/78/46/16/760784616.db2.gz GURZAWNPOAGQGL-CYBMUJFWSA-N 1 1 353.850 3.029 20 5 FGBDMO Cc1nc(CC2CC[NH+](Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)no1 ZINC000932243915 761103284 /nfs/dbraw/zinc/10/32/84/761103284.db2.gz FBAZKPFPPRBVMS-UHFFFAOYSA-N 1 1 350.806 3.394 20 5 FGBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000195625075 210102355 /nfs/dbraw/zinc/10/23/55/210102355.db2.gz IQOPPFMLRDXKET-XQQFMLRXSA-N 1 1 353.850 3.344 20 5 FGBDMO Cc1nn(C)c(NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000052244965 210061161 /nfs/dbraw/zinc/06/11/61/210061161.db2.gz TWXGWOIDBRGTDF-AWEZNQCLSA-N 1 1 357.458 3.481 20 5 FGBDMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C2CC2)C[C@H]1C ZINC000570854950 505596060 /nfs/dbraw/zinc/59/60/60/505596060.db2.gz QQNASNLCYNOGGP-ZIAGYGMSSA-N 1 1 370.457 3.107 20 5 FGBDMO C[C@]1(Cc2cccc(F)c2)CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000571043596 505640090 /nfs/dbraw/zinc/64/00/90/505640090.db2.gz JFCBYUSZNSBSBJ-HXUWFJFHSA-N 1 1 371.412 3.430 20 5 FGBDMO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000081123343 493836217 /nfs/dbraw/zinc/83/62/17/493836217.db2.gz VKNZYBQVUZXIMQ-ZIAGYGMSSA-N 1 1 351.834 3.081 20 5 FGBDMO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000081293443 493862425 /nfs/dbraw/zinc/86/24/25/493862425.db2.gz RWMSXQWZFHMOBM-OAHLLOKOSA-N 1 1 356.426 3.070 20 5 FGBDMO CC(C)[N@H+]1CCCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000068777402 493871272 /nfs/dbraw/zinc/87/12/72/493871272.db2.gz UJGLJZUFBHYEAL-UHFFFAOYSA-N 1 1 374.466 3.275 20 5 FGBDMO C[N@H+](CCCOc1ccc(F)cc1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000030267222 493882532 /nfs/dbraw/zinc/88/25/32/493882532.db2.gz FDNLTLCQKAUARM-UHFFFAOYSA-N 1 1 361.373 3.073 20 5 FGBDMO C[N@@H+](CCCOc1ccc(F)cc1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000030267222 493882537 /nfs/dbraw/zinc/88/25/37/493882537.db2.gz FDNLTLCQKAUARM-UHFFFAOYSA-N 1 1 361.373 3.073 20 5 FGBDMO O=[N+]([O-])c1ccc(Nc2cccc(C[NH+]3CCOCC3)c2)c([N+](=O)[O-])c1 ZINC000068938018 493898062 /nfs/dbraw/zinc/89/80/62/493898062.db2.gz WGEBVRAZUMXORO-UHFFFAOYSA-N 1 1 358.354 3.079 20 5 FGBDMO Cc1cc2ncn(C[C@@H](O)C[N@H+](C)Cc3ccccc3[N+](=O)[O-])c2cc1C ZINC000051322995 493961787 /nfs/dbraw/zinc/96/17/87/493961787.db2.gz JUJYZNKZXRBFHR-KRWDZBQOSA-N 1 1 368.437 3.054 20 5 FGBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000051469792 493972288 /nfs/dbraw/zinc/97/22/88/493972288.db2.gz JZLQGHBJGCDCIH-ZDUSSCGKSA-N 1 1 374.466 3.178 20 5 FGBDMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083169847 494001925 /nfs/dbraw/zinc/00/19/25/494001925.db2.gz GEOJQSYBTNMYGL-ZIAGYGMSSA-N 1 1 374.441 3.253 20 5 FGBDMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083169847 494001929 /nfs/dbraw/zinc/00/19/29/494001929.db2.gz GEOJQSYBTNMYGL-ZIAGYGMSSA-N 1 1 374.441 3.253 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)c1 ZINC000032734225 494010632 /nfs/dbraw/zinc/01/06/32/494010632.db2.gz GAWHPNTUDHFRPU-QWHCGFSZSA-N 1 1 351.472 3.309 20 5 FGBDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](c2ccccc2)O1 ZINC000070695761 494048331 /nfs/dbraw/zinc/04/83/31/494048331.db2.gz MRNAVBXFWGFQFF-DNVCBOLYSA-N 1 1 369.421 3.385 20 5 FGBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](c2ccccc2)O1 ZINC000070695761 494048332 /nfs/dbraw/zinc/04/83/32/494048332.db2.gz MRNAVBXFWGFQFF-DNVCBOLYSA-N 1 1 369.421 3.385 20 5 FGBDMO Cc1ccc([C@@H](C)[N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000052907805 494074336 /nfs/dbraw/zinc/07/43/36/494074336.db2.gz FADRYNZRNYRTLX-OAHLLOKOSA-N 1 1 353.422 3.485 20 5 FGBDMO Cc1ccc([C@@H](C)[N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000052907805 494074341 /nfs/dbraw/zinc/07/43/41/494074341.db2.gz FADRYNZRNYRTLX-OAHLLOKOSA-N 1 1 353.422 3.485 20 5 FGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000008351492 494085942 /nfs/dbraw/zinc/08/59/42/494085942.db2.gz GWISBSZIYIWIIU-HUUCEWRRSA-N 1 1 365.499 3.456 20 5 FGBDMO CC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccc(OC)cc1 ZINC000053087013 494091490 /nfs/dbraw/zinc/09/14/90/494091490.db2.gz LSDUENGIFOICSR-UHFFFAOYSA-N 1 1 357.410 3.372 20 5 FGBDMO CC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccc(OC)cc1 ZINC000053087013 494091495 /nfs/dbraw/zinc/09/14/95/494091495.db2.gz LSDUENGIFOICSR-UHFFFAOYSA-N 1 1 357.410 3.372 20 5 FGBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1ccc(OC)cc1 ZINC000053086995 494091599 /nfs/dbraw/zinc/09/15/99/494091599.db2.gz NZWGCPWPSRQOOV-UHFFFAOYSA-N 1 1 373.409 3.073 20 5 FGBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1ccc(OC)cc1 ZINC000053086995 494091603 /nfs/dbraw/zinc/09/16/03/494091603.db2.gz NZWGCPWPSRQOOV-UHFFFAOYSA-N 1 1 373.409 3.073 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1CN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000009986737 494139043 /nfs/dbraw/zinc/13/90/43/494139043.db2.gz NBPNLCLWXHZQHQ-UHFFFAOYSA-N 1 1 355.438 3.311 20 5 FGBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c1 ZINC000064736120 494145512 /nfs/dbraw/zinc/14/55/12/494145512.db2.gz KSXWWUPAJVQOPE-ZNMIVQPWSA-N 1 1 361.442 3.081 20 5 FGBDMO CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1COc2ccccc2O1 ZINC000065208733 494178849 /nfs/dbraw/zinc/17/88/49/494178849.db2.gz BOPULSYGFDXIOM-QGZVFWFLSA-N 1 1 358.394 3.136 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cccc(OC(F)F)c3)C2)nc1 ZINC000072664918 494229209 /nfs/dbraw/zinc/22/92/09/494229209.db2.gz KGSZZLYJBSFXPY-ZDUSSCGKSA-N 1 1 364.352 3.278 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000054626012 494254058 /nfs/dbraw/zinc/25/40/58/494254058.db2.gz LTHWKGYTNQAJBU-UHFFFAOYSA-N 1 1 371.784 3.067 20 5 FGBDMO Cc1cc(C)cc(OC[C@@H](O)C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000088616538 494254405 /nfs/dbraw/zinc/25/44/05/494254405.db2.gz RDMVQAWHGVHBIE-IBGZPJMESA-N 1 1 356.422 3.010 20 5 FGBDMO Cc1cc(C)cc(OC[C@@H](O)C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000088616538 494254407 /nfs/dbraw/zinc/25/44/07/494254407.db2.gz RDMVQAWHGVHBIE-IBGZPJMESA-N 1 1 356.422 3.010 20 5 FGBDMO Cc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000043148419 494270125 /nfs/dbraw/zinc/27/01/25/494270125.db2.gz WBFIFYSEWFJJQZ-KRWDZBQOSA-N 1 1 354.410 3.299 20 5 FGBDMO Cc1nc(C(C)(C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)sc1C ZINC000072865829 494271780 /nfs/dbraw/zinc/27/17/80/494271780.db2.gz SBYJIMWWVXYFBU-UHFFFAOYSA-N 1 1 362.455 3.156 20 5 FGBDMO CCn1cc(C[N@@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cn1 ZINC000072988907 494300271 /nfs/dbraw/zinc/30/02/71/494300271.db2.gz HOEUUVKMBXVHEU-UHFFFAOYSA-N 1 1 355.398 3.141 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000055102970 494301703 /nfs/dbraw/zinc/30/17/03/494301703.db2.gz LPVWGEAWHRNIJP-UHFFFAOYSA-N 1 1 369.421 3.427 20 5 FGBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000055406529 494339824 /nfs/dbraw/zinc/33/98/24/494339824.db2.gz KPHSHKNKIJVVBV-JKSUJKDBSA-N 1 1 374.485 3.045 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@@H](Oc4ccncc4)C3)co2)cc1 ZINC000089910321 494398589 /nfs/dbraw/zinc/39/85/89/494398589.db2.gz XKQWDBKEWOXERU-GOSISDBHSA-N 1 1 366.377 3.298 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@@H](Oc4ccncc4)C3)co2)cc1 ZINC000089910321 494398593 /nfs/dbraw/zinc/39/85/93/494398593.db2.gz XKQWDBKEWOXERU-GOSISDBHSA-N 1 1 366.377 3.298 20 5 FGBDMO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)Nc1cccc([N+](=O)[O-])c1 ZINC000067012646 494455407 /nfs/dbraw/zinc/45/54/07/494455407.db2.gz XUJHZQDMOCQONO-KRWDZBQOSA-N 1 1 368.437 3.281 20 5 FGBDMO C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(F)cc1F ZINC000067452042 494543003 /nfs/dbraw/zinc/54/30/03/494543003.db2.gz DIBLNXASKCFWPT-APPDUMDISA-N 1 1 361.348 3.329 20 5 FGBDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3cc([N+](=O)[O-])c[nH]3)cc2)C1 ZINC000046935420 494589487 /nfs/dbraw/zinc/58/94/87/494589487.db2.gz PLATTXLOBVUDKV-AWEZNQCLSA-N 1 1 356.426 3.085 20 5 FGBDMO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000574258619 505732213 /nfs/dbraw/zinc/73/22/13/505732213.db2.gz HRIVKKQDDHLOFV-OAHLLOKOSA-N 1 1 373.428 3.255 20 5 FGBDMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)n1 ZINC000091685793 494646739 /nfs/dbraw/zinc/64/67/39/494646739.db2.gz YVSFKSSPIBIXTP-QGZVFWFLSA-N 1 1 368.437 3.457 20 5 FGBDMO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000074956456 494664131 /nfs/dbraw/zinc/66/41/31/494664131.db2.gz ZRIVVKQWCFVMJG-AWEZNQCLSA-N 1 1 359.348 3.026 20 5 FGBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000074956456 494664135 /nfs/dbraw/zinc/66/41/35/494664135.db2.gz ZRIVVKQWCFVMJG-AWEZNQCLSA-N 1 1 359.348 3.026 20 5 FGBDMO COC(=O)CC[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000091922608 494723329 /nfs/dbraw/zinc/72/33/29/494723329.db2.gz GBYAGWMCBFWGOR-UHFFFAOYSA-N 1 1 374.441 3.016 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)C[C@H](C)O1 ZINC000121423629 494749459 /nfs/dbraw/zinc/74/94/59/494749459.db2.gz XNGLHWWKKRRLTR-GASCZTMLSA-N 1 1 369.421 3.456 20 5 FGBDMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)C[C@H](C)O1 ZINC000121423629 494749466 /nfs/dbraw/zinc/74/94/66/494749466.db2.gz XNGLHWWKKRRLTR-GASCZTMLSA-N 1 1 369.421 3.456 20 5 FGBDMO CCCCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116272830 494750792 /nfs/dbraw/zinc/75/07/92/494750792.db2.gz JCBISICBVPBNSO-UHFFFAOYSA-N 1 1 353.850 3.377 20 5 FGBDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C12CCC2 ZINC000092040896 494766941 /nfs/dbraw/zinc/76/69/41/494766941.db2.gz LSTJTBGMJQMBLR-ZWKOTPCHSA-N 1 1 364.442 3.392 20 5 FGBDMO O=C(NC1CC1)[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000121470486 494771235 /nfs/dbraw/zinc/77/12/35/494771235.db2.gz PTYMSSABQLKVEV-KRWDZBQOSA-N 1 1 355.394 3.098 20 5 FGBDMO O=C(NC1CC1)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000121470486 494771244 /nfs/dbraw/zinc/77/12/44/494771244.db2.gz PTYMSSABQLKVEV-KRWDZBQOSA-N 1 1 355.394 3.098 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1c1cc(C)on1 ZINC000026927620 494846537 /nfs/dbraw/zinc/84/65/37/494846537.db2.gz PTFIJSTXHFYLFO-INIZCTEOSA-N 1 1 374.397 3.066 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1c1cc(C)on1 ZINC000026927620 494846539 /nfs/dbraw/zinc/84/65/39/494846539.db2.gz PTFIJSTXHFYLFO-INIZCTEOSA-N 1 1 374.397 3.066 20 5 FGBDMO COc1ccc(C[NH2+]Cc2cc3c(cc2OC)C[C@@H](C)O3)cc1[N+](=O)[O-] ZINC000126884787 494854954 /nfs/dbraw/zinc/85/49/54/494854954.db2.gz FHXFXYRQYDMFBR-GFCCVEGCSA-N 1 1 358.394 3.225 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] ZINC000027227802 494858125 /nfs/dbraw/zinc/85/81/25/494858125.db2.gz CEIQCUFDIPBXGQ-CYBMUJFWSA-N 1 1 371.393 3.091 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] ZINC000027227802 494858128 /nfs/dbraw/zinc/85/81/28/494858128.db2.gz CEIQCUFDIPBXGQ-CYBMUJFWSA-N 1 1 371.393 3.091 20 5 FGBDMO CCc1ccc(C[N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC000027348590 494862695 /nfs/dbraw/zinc/86/26/95/494862695.db2.gz VDKGGBKWSQFVIS-UHFFFAOYSA-N 1 1 353.422 3.178 20 5 FGBDMO CCc1ccc(C[N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC000027348590 494862700 /nfs/dbraw/zinc/86/27/00/494862700.db2.gz VDKGGBKWSQFVIS-UHFFFAOYSA-N 1 1 353.422 3.178 20 5 FGBDMO CCc1nsc(N2CCC[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)n1 ZINC000093871512 494930030 /nfs/dbraw/zinc/93/00/30/494930030.db2.gz JMPIHPHPFLPRIV-UHFFFAOYSA-N 1 1 361.471 3.029 20 5 FGBDMO CCc1nsc(N2CCC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)n1 ZINC000093871512 494930032 /nfs/dbraw/zinc/93/00/32/494930032.db2.gz JMPIHPHPFLPRIV-UHFFFAOYSA-N 1 1 361.471 3.029 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117745157 494951108 /nfs/dbraw/zinc/95/11/08/494951108.db2.gz WWVUUHPXBOQKGI-ZDUSSCGKSA-N 1 1 353.850 3.171 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@H]3CCCC[C@@H]3n3cccn3)n2)c1 ZINC000127824279 495003845 /nfs/dbraw/zinc/00/38/45/495003845.db2.gz CQKMMVUWBAIUHR-HOTGVXAUSA-N 1 1 368.397 3.115 20 5 FGBDMO COc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118867071 495050260 /nfs/dbraw/zinc/05/02/60/495050260.db2.gz SSNVFDHHUIYJNU-CQSZACIVSA-N 1 1 362.817 3.338 20 5 FGBDMO COc1ccc(Cl)cc1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118867071 495050263 /nfs/dbraw/zinc/05/02/63/495050263.db2.gz SSNVFDHHUIYJNU-CQSZACIVSA-N 1 1 362.817 3.338 20 5 FGBDMO C[C@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)NCc1ccco1 ZINC000111399380 495070991 /nfs/dbraw/zinc/07/09/91/495070991.db2.gz WXKUWISBAKZJBP-ZDUSSCGKSA-N 1 1 369.377 3.242 20 5 FGBDMO Cc1ncsc1C(=O)NC1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000123333065 495115780 /nfs/dbraw/zinc/11/57/80/495115780.db2.gz ZVMGTBMABRQGKB-UHFFFAOYSA-N 1 1 374.466 3.063 20 5 FGBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000123346302 495118682 /nfs/dbraw/zinc/11/86/82/495118682.db2.gz UQZAVGSBZVLHMT-INIZCTEOSA-N 1 1 369.421 3.422 20 5 FGBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000119251588 495127278 /nfs/dbraw/zinc/12/72/78/495127278.db2.gz HGEHRYLLZUVCNX-JKSUJKDBSA-N 1 1 374.485 3.389 20 5 FGBDMO CC[N@@H+](CCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)C ZINC000102479544 495137767 /nfs/dbraw/zinc/13/77/67/495137767.db2.gz TVXUPRDCMZECCK-UHFFFAOYSA-N 1 1 362.455 3.178 20 5 FGBDMO CCS[C@@H]1CCCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000112088483 495142031 /nfs/dbraw/zinc/14/20/31/495142031.db2.gz HSLPOXOOUAUNDE-OAHLLOKOSA-N 1 1 351.472 3.449 20 5 FGBDMO CC[C@H](O)C[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000134491332 495157827 /nfs/dbraw/zinc/15/78/27/495157827.db2.gz CARSXFCMONNPRA-KRWDZBQOSA-N 1 1 371.437 3.115 20 5 FGBDMO CC[C@H](O)C[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000134491332 495157831 /nfs/dbraw/zinc/15/78/31/495157831.db2.gz CARSXFCMONNPRA-KRWDZBQOSA-N 1 1 371.437 3.115 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCCC[C@H](SC)C2)c([N+](=O)[O-])c1 ZINC000134546249 495166359 /nfs/dbraw/zinc/16/63/59/495166359.db2.gz YGCFVDXIWGKQAI-AWEZNQCLSA-N 1 1 367.471 3.150 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@H+]2CCCC[C@H](SC)C2)c([N+](=O)[O-])c1 ZINC000134546249 495166360 /nfs/dbraw/zinc/16/63/60/495166360.db2.gz YGCFVDXIWGKQAI-AWEZNQCLSA-N 1 1 367.471 3.150 20 5 FGBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCCC[C@H](SC)C2)c([N+](=O)[O-])c1 ZINC000134576275 495170016 /nfs/dbraw/zinc/17/00/16/495170016.db2.gz KWMSTLBAUWXXLH-JSGCOSHPSA-N 1 1 367.471 3.148 20 5 FGBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCCC[C@H](SC)C2)c([N+](=O)[O-])c1 ZINC000134576275 495170018 /nfs/dbraw/zinc/17/00/18/495170018.db2.gz KWMSTLBAUWXXLH-JSGCOSHPSA-N 1 1 367.471 3.148 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCCC[C@H](SC)C1 ZINC000134612034 495175432 /nfs/dbraw/zinc/17/54/32/495175432.db2.gz HRHNSLDGUIEGII-OCCSQVGLSA-N 1 1 367.471 3.148 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCCC[C@H](SC)C1 ZINC000134612034 495175435 /nfs/dbraw/zinc/17/54/35/495175435.db2.gz HRHNSLDGUIEGII-OCCSQVGLSA-N 1 1 367.471 3.148 20 5 FGBDMO Cc1cccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000119771038 495237147 /nfs/dbraw/zinc/23/71/47/495237147.db2.gz FZLUPFCQJXQPEI-MAUKXSAKSA-N 1 1 353.422 3.154 20 5 FGBDMO Nc1ccc(F)c(NC(=O)CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000135233204 495266811 /nfs/dbraw/zinc/26/68/11/495266811.db2.gz UGEKJSRNMKQXLE-UHFFFAOYSA-N 1 1 372.400 3.309 20 5 FGBDMO Cc1sc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000119991249 495284162 /nfs/dbraw/zinc/28/41/62/495284162.db2.gz GBUVKXKNJBVXPD-SWLSCSKDSA-N 1 1 359.451 3.215 20 5 FGBDMO Cc1ccc(C[C@H]2CCC[N@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000113264451 495291484 /nfs/dbraw/zinc/29/14/84/495291484.db2.gz RXSJCMCYOMMMSU-GOSISDBHSA-N 1 1 353.422 3.209 20 5 FGBDMO C[N@@H+](CCCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCCCC1 ZINC000130001641 495327564 /nfs/dbraw/zinc/32/75/64/495327564.db2.gz KFIOTBCMMHHBPN-UHFFFAOYSA-N 1 1 358.442 3.461 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000113899713 495334615 /nfs/dbraw/zinc/33/46/15/495334615.db2.gz YNIQAORMLVSCEU-KGLIPLIRSA-N 1 1 351.472 3.383 20 5 FGBDMO C[C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)N1CCN(C)CC1 ZINC000105465545 495365511 /nfs/dbraw/zinc/36/55/11/495365511.db2.gz NQNOTZBVOWGHOX-OAHLLOKOSA-N 1 1 374.510 3.049 20 5 FGBDMO C[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)N1CCN(C)CC1 ZINC000105465542 495365587 /nfs/dbraw/zinc/36/55/87/495365587.db2.gz NQNOTZBVOWGHOX-HNNXBMFYSA-N 1 1 374.510 3.049 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000136446236 495380871 /nfs/dbraw/zinc/38/08/71/495380871.db2.gz CEHGCJGGNQBKBF-BETUJISGSA-N 1 1 353.850 3.346 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@@H]1CCc2ccccc2C1 ZINC000114489295 495383305 /nfs/dbraw/zinc/38/33/05/495383305.db2.gz KZISBPIFRLBIOM-QGZVFWFLSA-N 1 1 353.422 3.331 20 5 FGBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@H]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000114490048 495385113 /nfs/dbraw/zinc/38/51/13/495385113.db2.gz OYCSDQRREXYCRN-INIZCTEOSA-N 1 1 369.421 3.031 20 5 FGBDMO CCC[N@H+]1CC[C@@H](CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000136863736 495406562 /nfs/dbraw/zinc/40/65/62/495406562.db2.gz MGFLBUIDLSSGRK-INIZCTEOSA-N 1 1 360.458 3.001 20 5 FGBDMO CCC[N@H+]1CC[C@H](CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000136863683 495407085 /nfs/dbraw/zinc/40/70/85/495407085.db2.gz MGFLBUIDLSSGRK-MRXNPFEDSA-N 1 1 360.458 3.001 20 5 FGBDMO Cc1csc2nc(C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc(=O)n12 ZINC000130757647 495440099 /nfs/dbraw/zinc/44/00/99/495440099.db2.gz ZQPCQXNIPNNPFI-UHFFFAOYSA-N 1 1 370.434 3.137 20 5 FGBDMO Cc1csc2nc(C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc(=O)n12 ZINC000130757647 495440102 /nfs/dbraw/zinc/44/01/02/495440102.db2.gz ZQPCQXNIPNNPFI-UHFFFAOYSA-N 1 1 370.434 3.137 20 5 FGBDMO Cc1cccc(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000137457848 495441727 /nfs/dbraw/zinc/44/17/27/495441727.db2.gz NFNRJRRCZVGPHM-RDJZCZTQSA-N 1 1 353.422 3.296 20 5 FGBDMO CC(C)c1ccc([C@H]2CCC[N@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000125553446 495462640 /nfs/dbraw/zinc/46/26/40/495462640.db2.gz LERZWLIRTSQYEE-RBUKOAKNSA-N 1 1 358.442 3.113 20 5 FGBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000121033501 495508725 /nfs/dbraw/zinc/50/87/25/495508725.db2.gz QKTFNACYGSFYCM-JKSUJKDBSA-N 1 1 374.485 3.389 20 5 FGBDMO C[C@@H]1C[C@@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000131283766 495516527 /nfs/dbraw/zinc/51/65/27/495516527.db2.gz XKMWIKCVDRZUJQ-AEFFLSMTSA-N 1 1 367.449 3.164 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000185333911 495536263 /nfs/dbraw/zinc/53/62/63/495536263.db2.gz BRRCNCAXGMHCJA-LJQANCHMSA-N 1 1 371.412 3.374 20 5 FGBDMO CC[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000185339760 495538165 /nfs/dbraw/zinc/53/81/65/495538165.db2.gz WMYUUPABGQBRNK-INIZCTEOSA-N 1 1 359.451 3.393 20 5 FGBDMO CC[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000185339760 495538170 /nfs/dbraw/zinc/53/81/70/495538170.db2.gz WMYUUPABGQBRNK-INIZCTEOSA-N 1 1 359.451 3.393 20 5 FGBDMO CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000179334208 495547686 /nfs/dbraw/zinc/54/76/86/495547686.db2.gz GVNHPUYFBDLMIH-MRXNPFEDSA-N 1 1 359.451 3.424 20 5 FGBDMO COc1ccc(C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000173588449 495601656 /nfs/dbraw/zinc/60/16/56/495601656.db2.gz IMQBDMJKXZDVRX-OAHLLOKOSA-N 1 1 371.437 3.244 20 5 FGBDMO O=C(NC1CC1)[C@H]1CCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000179489090 495612100 /nfs/dbraw/zinc/61/21/00/495612100.db2.gz OOPZBTOYEFFQTJ-QGZVFWFLSA-N 1 1 355.394 3.098 20 5 FGBDMO O=C(NC1CC1)[C@H]1CCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000179489090 495612106 /nfs/dbraw/zinc/61/21/06/495612106.db2.gz OOPZBTOYEFFQTJ-QGZVFWFLSA-N 1 1 355.394 3.098 20 5 FGBDMO CCc1[nH+]ccn1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000571705005 505794678 /nfs/dbraw/zinc/79/46/78/505794678.db2.gz JCLOBYVCIUSXCB-UHFFFAOYSA-N 1 1 357.395 3.116 20 5 FGBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCN(c2ccc(F)cc2)CC1 ZINC000154562796 495655342 /nfs/dbraw/zinc/65/53/42/495655342.db2.gz AUNJQRBLMLYPSV-FQEVSTJZSA-N 1 1 373.428 3.368 20 5 FGBDMO C[C@H](N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000185697819 495685376 /nfs/dbraw/zinc/68/53/76/495685376.db2.gz HOCOXZWZMXHDIC-HRCADAONSA-N 1 1 374.485 3.164 20 5 FGBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000173777608 495688534 /nfs/dbraw/zinc/68/85/34/495688534.db2.gz XKEFVEOIKYLWST-NWDGAFQWSA-N 1 1 373.375 3.464 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)c2c(c1)COCO2 ZINC000173842605 495716501 /nfs/dbraw/zinc/71/65/01/495716501.db2.gz LMKMPOPHKRSAOI-SFHVURJKSA-N 1 1 362.426 3.385 20 5 FGBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000183041019 495810303 /nfs/dbraw/zinc/81/03/03/495810303.db2.gz MUVYIPRAHXKGHP-IEBWSBKVSA-N 1 1 374.485 3.043 20 5 FGBDMO COC(=O)c1ccc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000174242964 495879077 /nfs/dbraw/zinc/87/90/77/495879077.db2.gz HPDXZISPOUSERD-UHFFFAOYSA-N 1 1 360.366 3.018 20 5 FGBDMO CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174247837 495881412 /nfs/dbraw/zinc/88/14/12/495881412.db2.gz RFWAONNHFLXIME-GJZGRUSLSA-N 1 1 363.458 3.131 20 5 FGBDMO Cn1ccnc1[C@H](NC[C@H]1CCCC[N@H+]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000577878062 505810602 /nfs/dbraw/zinc/81/06/02/505810602.db2.gz HXBFRZSRQRLBSR-RTBURBONSA-N 1 1 369.469 3.024 20 5 FGBDMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3C)C2)nc1 ZINC000183277662 495912759 /nfs/dbraw/zinc/91/27/59/495912759.db2.gz PQWCSLPTCCALKS-KRWDZBQOSA-N 1 1 368.437 3.457 20 5 FGBDMO C[C@H]1C[C@@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C[N@H+]1C1CC1 ZINC000177144754 495947514 /nfs/dbraw/zinc/94/75/14/495947514.db2.gz APCVTFPXYGKMOF-WCQYABFASA-N 1 1 372.450 3.073 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)c2c(c1)COCO2 ZINC000177182757 495964941 /nfs/dbraw/zinc/96/49/41/495964941.db2.gz AGWBHMYNNIMHHO-HOTGVXAUSA-N 1 1 350.440 3.321 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)c2c(c1)COCO2 ZINC000177182757 495964944 /nfs/dbraw/zinc/96/49/44/495964944.db2.gz AGWBHMYNNIMHHO-HOTGVXAUSA-N 1 1 350.440 3.321 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)c2c(c1)COCO2 ZINC000177182773 495965637 /nfs/dbraw/zinc/96/56/37/495965637.db2.gz AGWBHMYNNIMHHO-JKSUJKDBSA-N 1 1 350.440 3.321 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)c2c(c1)COCO2 ZINC000177182773 495965644 /nfs/dbraw/zinc/96/56/44/495965644.db2.gz AGWBHMYNNIMHHO-JKSUJKDBSA-N 1 1 350.440 3.321 20 5 FGBDMO C[N@H+]1CCCN(c2ccc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])cc2)CC1 ZINC000177188733 495967732 /nfs/dbraw/zinc/96/77/32/495967732.db2.gz NDGIGBAUVDVTQL-UHFFFAOYSA-N 1 1 372.400 3.128 20 5 FGBDMO COc1cc(C[NH2+][C@@H](C)c2cnn(C)c2C)c([N+](=O)[O-])cc1OC(F)F ZINC000183451057 495989092 /nfs/dbraw/zinc/98/90/92/495989092.db2.gz SKOVSHPNYFLIRO-VIFPVBQESA-N 1 1 370.356 3.098 20 5 FGBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000174512497 495989244 /nfs/dbraw/zinc/98/92/44/495989244.db2.gz IQZPGXTVHADHGV-CYBMUJFWSA-N 1 1 374.466 3.132 20 5 FGBDMO CC(C)n1cnnc1[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000174548266 496003921 /nfs/dbraw/zinc/00/39/21/496003921.db2.gz KYJAFHPWRSHSTC-HNNXBMFYSA-N 1 1 359.430 3.026 20 5 FGBDMO Cc1csc([C@H]([NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C2CC2)n1 ZINC000183523575 496019176 /nfs/dbraw/zinc/01/91/76/496019176.db2.gz NUIQFTJVGJMTNJ-MRXNPFEDSA-N 1 1 360.439 3.348 20 5 FGBDMO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000171864765 496068796 /nfs/dbraw/zinc/06/87/96/496068796.db2.gz YZGIKHIZCPIYKQ-GJZGRUSLSA-N 1 1 353.422 3.219 20 5 FGBDMO C[C@H](NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000171864765 496068801 /nfs/dbraw/zinc/06/88/01/496068801.db2.gz YZGIKHIZCPIYKQ-GJZGRUSLSA-N 1 1 353.422 3.219 20 5 FGBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H]2c2cccc3ccccc32)c1 ZINC000174751462 496089627 /nfs/dbraw/zinc/08/96/27/496089627.db2.gz WFBAWOSVKGFENT-PXNSSMCTSA-N 1 1 366.421 3.143 20 5 FGBDMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000177536906 496102713 /nfs/dbraw/zinc/10/27/13/496102713.db2.gz UCAXUPXPCCBMHF-DNVCBOLYSA-N 1 1 353.422 3.436 20 5 FGBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000175051377 496226549 /nfs/dbraw/zinc/22/65/49/496226549.db2.gz SJADEJHUEZBWAW-FUHWJXTLSA-N 1 1 370.453 3.351 20 5 FGBDMO CC[C@@H](c1ccccc1OC)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000577973399 505831393 /nfs/dbraw/zinc/83/13/93/505831393.db2.gz JTWZYEJWEUVVCU-INIZCTEOSA-N 1 1 357.410 3.285 20 5 FGBDMO CC[C@@H](c1ccccc1OC)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000577973399 505831398 /nfs/dbraw/zinc/83/13/98/505831398.db2.gz JTWZYEJWEUVVCU-INIZCTEOSA-N 1 1 357.410 3.285 20 5 FGBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000181120435 496277905 /nfs/dbraw/zinc/27/79/05/496277905.db2.gz YRTLGZDQJOJKOX-YVEFUNNKSA-N 1 1 374.466 3.051 20 5 FGBDMO C[C@H](C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000580780572 505836573 /nfs/dbraw/zinc/83/65/73/505836573.db2.gz DWDWHKPYIMYXEG-KKSFZXQISA-N 1 1 367.449 3.479 20 5 FGBDMO Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153042178 496334811 /nfs/dbraw/zinc/33/48/11/496334811.db2.gz AYTZRDYTMRMGSM-QGZVFWFLSA-N 1 1 356.422 3.010 20 5 FGBDMO Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153042178 496334814 /nfs/dbraw/zinc/33/48/14/496334814.db2.gz AYTZRDYTMRMGSM-QGZVFWFLSA-N 1 1 356.422 3.010 20 5 FGBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000574712974 505838181 /nfs/dbraw/zinc/83/81/81/505838181.db2.gz PQKZVBBEXUYBSF-HNNXBMFYSA-N 1 1 363.461 3.286 20 5 FGBDMO CC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1nc(C)cs1 ZINC000184368632 496355100 /nfs/dbraw/zinc/35/51/00/496355100.db2.gz LMJTUCHGNSSGHZ-GFCCVEGCSA-N 1 1 364.427 3.048 20 5 FGBDMO Cc1nc(C[NH+]2CCC(CNc3nc(C)ccc3[N+](=O)[O-])CC2)oc1C ZINC000178222723 496376060 /nfs/dbraw/zinc/37/60/60/496376060.db2.gz NOQXOIUQCNAQLO-UHFFFAOYSA-N 1 1 359.430 3.227 20 5 FGBDMO O=[N+]([O-])c1cccc(C[N@H+](C[C@@H](O)COCc2cccs2)C2CC2)c1 ZINC000153333599 496423166 /nfs/dbraw/zinc/42/31/66/496423166.db2.gz WWWCXAZTGWREPW-QGZVFWFLSA-N 1 1 362.451 3.198 20 5 FGBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000172832579 496453741 /nfs/dbraw/zinc/45/37/41/496453741.db2.gz GIHGAEYIBGUWNT-KRWDZBQOSA-N 1 1 374.485 3.141 20 5 FGBDMO O=[N+]([O-])c1cnn(CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)c1 ZINC000157594818 496511457 /nfs/dbraw/zinc/51/14/57/496511457.db2.gz VVDKKSQEJURUQF-UHFFFAOYSA-N 1 1 354.332 3.475 20 5 FGBDMO C[C@]1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC[N@H+]1Cc1ccccc1 ZINC000163467950 496519556 /nfs/dbraw/zinc/51/95/56/496519556.db2.gz FGODNBYRJOOWKU-OAQYLSRUSA-N 1 1 367.449 3.308 20 5 FGBDMO Cc1ccc(N2CCC(NC(=O)Nc3ccc([N+](=O)[O-])c(C)c3)CC2)[nH+]c1 ZINC000153654447 496534896 /nfs/dbraw/zinc/53/48/96/496534896.db2.gz TYMDYHVKIXWQEX-UHFFFAOYSA-N 1 1 369.425 3.397 20 5 FGBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2c2cccc(Br)c2)c1 ZINC000157738329 496541733 /nfs/dbraw/zinc/54/17/33/496541733.db2.gz FSMGOYLTZFBYNU-HNNXBMFYSA-N 1 1 365.231 3.391 20 5 FGBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]2c2cccc(Br)c2)c1 ZINC000157738329 496541739 /nfs/dbraw/zinc/54/17/39/496541739.db2.gz FSMGOYLTZFBYNU-HNNXBMFYSA-N 1 1 365.231 3.391 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CCc1nccs1 ZINC000157798279 496557468 /nfs/dbraw/zinc/55/74/68/496557468.db2.gz UOCYOPMMLOBLOL-LLVKDONJSA-N 1 1 359.411 3.337 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)CCc1nccs1 ZINC000157798279 496557472 /nfs/dbraw/zinc/55/74/72/496557472.db2.gz UOCYOPMMLOBLOL-LLVKDONJSA-N 1 1 359.411 3.337 20 5 FGBDMO Cc1cc(NC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)ccc1[N+](=O)[O-] ZINC000153774267 496574721 /nfs/dbraw/zinc/57/47/21/496574721.db2.gz KLCLEDVHFUZYFF-UHFFFAOYSA-N 1 1 357.414 3.123 20 5 FGBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2cccs2)n1 ZINC000175864739 496577999 /nfs/dbraw/zinc/57/79/99/496577999.db2.gz OSMZOAGEQYJQPV-LSDHHAIUSA-N 1 1 364.471 3.221 20 5 FGBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2cccs2)c1 ZINC000175864609 496578292 /nfs/dbraw/zinc/57/82/92/496578292.db2.gz RECUPCAQZXMANR-ZBFHGGJFSA-N 1 1 364.471 3.221 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+](CCc1cccc(F)c1)C1CC1 ZINC000181883155 496584265 /nfs/dbraw/zinc/58/42/65/496584265.db2.gz ORQWSESRQWYSRR-SFHVURJKSA-N 1 1 374.412 3.181 20 5 FGBDMO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000153818590 496590183 /nfs/dbraw/zinc/59/01/83/496590183.db2.gz PWERRWAULAOPKI-INIZCTEOSA-N 1 1 374.466 3.131 20 5 FGBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000153818590 496590189 /nfs/dbraw/zinc/59/01/89/496590189.db2.gz PWERRWAULAOPKI-INIZCTEOSA-N 1 1 374.466 3.131 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000181897296 496590730 /nfs/dbraw/zinc/59/07/30/496590730.db2.gz KBMGTXYLVKIGHP-SJLPKXTDSA-N 1 1 374.412 3.038 20 5 FGBDMO COc1ccccc1[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000157966954 496597328 /nfs/dbraw/zinc/59/73/28/496597328.db2.gz FLUZHQHXLNQPJX-CQSZACIVSA-N 1 1 370.405 3.459 20 5 FGBDMO COc1ccccc1[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000158024928 496611211 /nfs/dbraw/zinc/61/12/11/496611211.db2.gz VNUWLDWZRKKJOQ-OAHLLOKOSA-N 1 1 369.421 3.422 20 5 FGBDMO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc(-n2ccnn2)cc1 ZINC000182030077 496641965 /nfs/dbraw/zinc/64/19/65/496641965.db2.gz DGSNQPOATOMTPB-GFCCVEGCSA-N 1 1 364.365 3.168 20 5 FGBDMO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC2 ZINC000154013083 496653896 /nfs/dbraw/zinc/65/38/96/496653896.db2.gz RDZXXFBCLBAAEE-HOTGVXAUSA-N 1 1 354.834 3.000 20 5 FGBDMO Cc1cnn(-c2cc[nH+]cc2NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000185138229 496677834 /nfs/dbraw/zinc/67/78/34/496677834.db2.gz NLSHLGHNPHWWFM-GFCCVEGCSA-N 1 1 369.356 3.365 20 5 FGBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000154111047 496686215 /nfs/dbraw/zinc/68/62/15/496686215.db2.gz KTSBOHWUZQCSJC-AWEZNQCLSA-N 1 1 365.499 3.415 20 5 FGBDMO CCc1ccc(C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000173436401 496692902 /nfs/dbraw/zinc/69/29/02/496692902.db2.gz QXDZHCALDGQJIN-UHFFFAOYSA-N 1 1 368.437 3.259 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000182214828 496709389 /nfs/dbraw/zinc/70/93/89/496709389.db2.gz ANKGKGCZVBHCTL-QZTJIDSGSA-N 1 1 374.412 3.181 20 5 FGBDMO Cc1ccccc1[C@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182217262 496710834 /nfs/dbraw/zinc/71/08/34/496710834.db2.gz AALXFVOBLYKVSK-FUHWJXTLSA-N 1 1 356.422 3.480 20 5 FGBDMO CC(C)(C)c1ccc2c(c1)C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC000182251171 496720159 /nfs/dbraw/zinc/72/01/59/496720159.db2.gz MTSBCLXEJVNBDE-UHFFFAOYSA-N 1 1 355.438 3.112 20 5 FGBDMO Cc1cnc([C@H]([NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000185295421 496725683 /nfs/dbraw/zinc/72/56/83/496725683.db2.gz NVKQRPHYTYYTOQ-IAQYHMDHSA-N 1 1 360.439 3.428 20 5 FGBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000264085419 496808272 /nfs/dbraw/zinc/80/82/72/496808272.db2.gz PFQYAVBUPNKTFP-QZTJIDSGSA-N 1 1 360.458 3.142 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(c2ccncc2)CC1 ZINC000191633360 496840139 /nfs/dbraw/zinc/84/01/39/496840139.db2.gz KTZCGDHYQDMKPL-UHFFFAOYSA-N 1 1 354.410 3.116 20 5 FGBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000580927855 505870265 /nfs/dbraw/zinc/87/02/65/505870265.db2.gz RYGUKQYAXPBZMK-GFCCVEGCSA-N 1 1 373.375 3.303 20 5 FGBDMO COc1cccc(C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000195448107 496925148 /nfs/dbraw/zinc/92/51/48/496925148.db2.gz OYUZEGWAYPOTCL-OKILXGFUSA-N 1 1 363.458 3.090 20 5 FGBDMO COC(=O)C[C@@](C)([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccncc1 ZINC000191906752 496927304 /nfs/dbraw/zinc/92/73/04/496927304.db2.gz FOOXUYCAVZHEHC-QGZVFWFLSA-N 1 1 363.801 3.211 20 5 FGBDMO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000269676028 496987535 /nfs/dbraw/zinc/98/75/35/496987535.db2.gz LCSWQUYXRFMSDX-BLLLJJGKSA-N 1 1 363.845 3.337 20 5 FGBDMO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000269704683 496992648 /nfs/dbraw/zinc/99/26/48/496992648.db2.gz QLEOTQDNTOWETR-YJYMSZOUSA-N 1 1 368.437 3.165 20 5 FGBDMO CC(C)(C)[C@@H]1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000217223355 496996227 /nfs/dbraw/zinc/99/62/27/496996227.db2.gz FOJQCMWLBWHXCN-NVXWUHKLSA-N 1 1 350.459 3.483 20 5 FGBDMO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000264978424 497024254 /nfs/dbraw/zinc/02/42/54/497024254.db2.gz QOBOYMCULWRDJE-UHFFFAOYSA-N 1 1 359.451 3.393 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000248613970 497058342 /nfs/dbraw/zinc/05/83/42/497058342.db2.gz YIMGAGPRXVXSLU-HUUCEWRRSA-N 1 1 365.449 3.322 20 5 FGBDMO Cc1c(Br)c(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)ncc1[N+](=O)[O-] ZINC000228015210 497092498 /nfs/dbraw/zinc/09/24/98/497092498.db2.gz GEAWAHPAHUUANF-MNOVXSKESA-N 1 1 355.236 3.099 20 5 FGBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000278778574 497217710 /nfs/dbraw/zinc/21/77/10/497217710.db2.gz WRBWGDCPJMMVFZ-UHFFFAOYSA-N 1 1 355.394 3.290 20 5 FGBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000569286322 505897030 /nfs/dbraw/zinc/89/70/30/505897030.db2.gz TZLCFMANNXVXKR-MRXNPFEDSA-N 1 1 370.453 3.034 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000252652952 497315344 /nfs/dbraw/zinc/31/53/44/497315344.db2.gz RGXLBYSZGOYWOS-UNEWFSDZSA-N 1 1 371.441 3.122 20 5 FGBDMO COc1cc(C[N@H+]2CCC3(C2)CCOCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000266565926 497371891 /nfs/dbraw/zinc/37/18/91/497371891.db2.gz OBQCVPODWLHAGM-UHFFFAOYSA-N 1 1 372.368 3.207 20 5 FGBDMO CCOCCOCC[N@@H+](C)Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000190261607 497418087 /nfs/dbraw/zinc/41/80/87/497418087.db2.gz JBVCLQXEBCPZJA-UHFFFAOYSA-N 1 1 355.434 3.431 20 5 FGBDMO COc1ccc([C@@H](CCO)[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000271727461 497430301 /nfs/dbraw/zinc/43/03/01/497430301.db2.gz XXEOUMAFJMNSQT-MRXNPFEDSA-N 1 1 350.802 3.470 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000245528161 497441142 /nfs/dbraw/zinc/44/11/42/497441142.db2.gz BHTVOPOJEGZVMT-XPKDYRNWSA-N 1 1 360.414 3.189 20 5 FGBDMO C[N@@H+](CCCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)Cc1ccccc1 ZINC000193691455 497448781 /nfs/dbraw/zinc/44/87/81/497448781.db2.gz YMUIDPVGJWKSLN-UHFFFAOYSA-N 1 1 368.437 3.414 20 5 FGBDMO COC(=O)c1cnc(SCC[N@@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000193746182 497466720 /nfs/dbraw/zinc/46/67/20/497466720.db2.gz ZRTCZACMWJYAOZ-UHFFFAOYSA-N 1 1 361.423 3.001 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2c(C)cccc2[N+](=O)[O-])cc1F ZINC000193925423 497522157 /nfs/dbraw/zinc/52/21/57/497522157.db2.gz JWDCOXKCVZGJIA-UHFFFAOYSA-N 1 1 368.368 3.466 20 5 FGBDMO COc1cc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c([N+](=O)[O-])cc1OC ZINC000245788191 497538431 /nfs/dbraw/zinc/53/84/31/497538431.db2.gz VPQLKOWPUYQMCD-CVEARBPZSA-N 1 1 363.458 3.059 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1F ZINC000276332885 497546919 /nfs/dbraw/zinc/54/69/19/497546919.db2.gz RGWJOZADDVXCOK-HNNXBMFYSA-N 1 1 373.432 3.431 20 5 FGBDMO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CCN(CCc2ccccn2)CC1 ZINC000276352786 497551994 /nfs/dbraw/zinc/55/19/94/497551994.db2.gz WWDSEYRPJCPRJX-UHFFFAOYSA-N 1 1 372.444 3.268 20 5 FGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CCN(CCc2ccccn2)CC1 ZINC000276352786 497552000 /nfs/dbraw/zinc/55/20/00/497552000.db2.gz WWDSEYRPJCPRJX-UHFFFAOYSA-N 1 1 372.444 3.268 20 5 FGBDMO CSc1ccc(C(=O)Nc2cccnc2-n2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000194112865 497577351 /nfs/dbraw/zinc/57/73/51/497577351.db2.gz XYIOHBBRSUWLHK-UHFFFAOYSA-N 1 1 369.406 3.458 20 5 FGBDMO CC[C@H](NC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000246039214 497602855 /nfs/dbraw/zinc/60/28/55/497602855.db2.gz WYIBXDHQKNWMBK-BPQIPLTHSA-N 1 1 360.458 3.172 20 5 FGBDMO Cc1ccc(NC(=O)C2CC[NH+](Cc3cc(F)ccc3[N+](=O)[O-])CC2)nc1 ZINC000194327946 497636673 /nfs/dbraw/zinc/63/66/73/497636673.db2.gz OHADLYMMQGSJTN-UHFFFAOYSA-N 1 1 372.400 3.288 20 5 FGBDMO CCO[C@@H]1C[C@H]([NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000272513747 497648708 /nfs/dbraw/zinc/64/87/08/497648708.db2.gz JPKIGGNFEKAJQY-RCCFBDPRSA-N 1 1 370.453 3.355 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCCN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272557151 497661206 /nfs/dbraw/zinc/66/12/06/497661206.db2.gz SIGQDNRMRIXRST-LPHOPBHVSA-N 1 1 371.485 3.272 20 5 FGBDMO Cc1noc(C)c1[C@@H](C)C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272585577 497671124 /nfs/dbraw/zinc/67/11/24/497671124.db2.gz YXJCSBQOWRQDKY-SGTLLEGYSA-N 1 1 369.425 3.416 20 5 FGBDMO C[N@H+]1CC[C@H]2CCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)[C@H]2C1 ZINC000272677371 497698394 /nfs/dbraw/zinc/69/83/94/497698394.db2.gz UVWYBUXINWQCEM-GUYCJALGSA-N 1 1 358.467 3.244 20 5 FGBDMO C[C@H](CO)[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC1CCC1 ZINC000280314905 497716545 /nfs/dbraw/zinc/71/65/45/497716545.db2.gz GPBJRDOBEVYLEN-CQSZACIVSA-N 1 1 359.426 3.275 20 5 FGBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000246392215 497718329 /nfs/dbraw/zinc/71/83/29/497718329.db2.gz KQGRCLUILAWPHX-GJZGRUSLSA-N 1 1 365.499 3.170 20 5 FGBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)[C@H]1c1cccs1 ZINC000246464772 497743683 /nfs/dbraw/zinc/74/36/83/497743683.db2.gz NMODPNHMKVWRST-SJCJKPOMSA-N 1 1 374.466 3.051 20 5 FGBDMO CNC(=O)c1ccc(N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000272959982 497771750 /nfs/dbraw/zinc/77/17/50/497771750.db2.gz NKXIZHJBDKVZQT-HIFRSBDPSA-N 1 1 360.458 3.019 20 5 FGBDMO Cc1nn(C)c(N2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)c1[N+](=O)[O-] ZINC000273108574 497799796 /nfs/dbraw/zinc/79/97/96/497799796.db2.gz NKYIFTWZOPZJKI-ZDUSSCGKSA-N 1 1 354.414 3.205 20 5 FGBDMO CCC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)c1cc2ccccc2o1 ZINC000246828927 497814339 /nfs/dbraw/zinc/81/43/39/497814339.db2.gz YBAJBUJNXNRAJV-PBHICJAKSA-N 1 1 372.425 3.372 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000246852023 497816554 /nfs/dbraw/zinc/81/65/54/497816554.db2.gz KTVHVAAUZVLLKA-WTANOLMUSA-N 1 1 372.425 3.333 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000246862540 497817394 /nfs/dbraw/zinc/81/73/94/497817394.db2.gz UIWMEBPAXHGMJU-XPKDYRNWSA-N 1 1 358.398 3.207 20 5 FGBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000299670653 497888860 /nfs/dbraw/zinc/88/88/60/497888860.db2.gz MEHBRHQOIXYUOX-ZDUSSCGKSA-N 1 1 358.398 3.020 20 5 FGBDMO COCC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCc2cccnc21 ZINC000364343031 497910137 /nfs/dbraw/zinc/91/01/37/497910137.db2.gz WOIOWTTWYRQHFC-RBUKOAKNSA-N 1 1 371.437 3.049 20 5 FGBDMO O=C1Nc2ccccc2[C@]12CC[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC000364434430 497955559 /nfs/dbraw/zinc/95/55/59/497955559.db2.gz MUZPROBZDBVALH-GOSISDBHSA-N 1 1 357.797 3.344 20 5 FGBDMO CCOc1ccc(NC(=O)Cn2c(C)[nH+]c3c2CCCC3)c([N+](=O)[O-])c1 ZINC000578550979 505965977 /nfs/dbraw/zinc/96/59/77/505965977.db2.gz VAVMJXUZHBSOFB-UHFFFAOYSA-N 1 1 358.398 3.016 20 5 FGBDMO C[N@H+]1CC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H]1c1cccs1 ZINC000364618931 498053354 /nfs/dbraw/zinc/05/33/54/498053354.db2.gz BECNNDIKUBMLKB-KSSFIOAISA-N 1 1 359.451 3.008 20 5 FGBDMO C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000296513914 498074145 /nfs/dbraw/zinc/07/41/45/498074145.db2.gz CPUNBYMPTKAZEJ-ZSZQSSIHSA-N 1 1 372.469 3.314 20 5 FGBDMO CCOC1CC2(C1)CC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C2 ZINC000285495060 498106493 /nfs/dbraw/zinc/10/64/93/498106493.db2.gz MSGALTVFPJBVDR-UHFFFAOYSA-N 1 1 361.442 3.123 20 5 FGBDMO C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC2(CCC2)O1 ZINC000572484373 505980013 /nfs/dbraw/zinc/98/00/13/505980013.db2.gz WBZGWRUJKJJVGP-AWEZNQCLSA-N 1 1 356.426 3.139 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC2(CCC2)O1 ZINC000572484373 505980017 /nfs/dbraw/zinc/98/00/17/505980017.db2.gz WBZGWRUJKJJVGP-AWEZNQCLSA-N 1 1 356.426 3.139 20 5 FGBDMO COc1cc(F)c([N+](=O)[O-])c(NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000301453108 498117431 /nfs/dbraw/zinc/11/74/31/498117431.db2.gz VBHYFGYLDXJJIV-TXEJJXNPSA-N 1 1 355.410 3.042 20 5 FGBDMO COc1cc(F)c([N+](=O)[O-])c(NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000301453108 498117440 /nfs/dbraw/zinc/11/74/40/498117440.db2.gz VBHYFGYLDXJJIV-TXEJJXNPSA-N 1 1 355.410 3.042 20 5 FGBDMO Cc1noc([C@H]2CCCC[N@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1 ZINC000285595122 498141955 /nfs/dbraw/zinc/14/19/55/498141955.db2.gz JJSHMVJACFJMOM-MRXNPFEDSA-N 1 1 373.413 3.150 20 5 FGBDMO Cc1noc([C@H]2CCCC[N@@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1 ZINC000285595122 498141948 /nfs/dbraw/zinc/14/19/48/498141948.db2.gz JJSHMVJACFJMOM-MRXNPFEDSA-N 1 1 373.413 3.150 20 5 FGBDMO C[N@@H+]1CC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]1c1ccccc1 ZINC000289437837 498147362 /nfs/dbraw/zinc/14/73/62/498147362.db2.gz STGPIGQLIMFTLU-KXBFYZLASA-N 1 1 352.394 3.271 20 5 FGBDMO C[N@H+]1CC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]1c1ccccc1 ZINC000289437837 498147368 /nfs/dbraw/zinc/14/73/68/498147368.db2.gz STGPIGQLIMFTLU-KXBFYZLASA-N 1 1 352.394 3.271 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000289512916 498175110 /nfs/dbraw/zinc/17/51/10/498175110.db2.gz KXDWWWLHDNETHC-IEBWSBKVSA-N 1 1 373.453 3.265 20 5 FGBDMO CNC(=O)c1ccc(N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000301620311 498191029 /nfs/dbraw/zinc/19/10/29/498191029.db2.gz MJJHPOKRLRASIJ-YOEHRIQHSA-N 1 1 368.437 3.029 20 5 FGBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000578708183 506001515 /nfs/dbraw/zinc/00/15/15/506001515.db2.gz KLWLTXWEOYLTGX-OAHLLOKOSA-N 1 1 355.438 3.466 20 5 FGBDMO C[C@@H](Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000301732845 498243081 /nfs/dbraw/zinc/24/30/81/498243081.db2.gz AAYCIHODUIMWAJ-OQPBUACISA-N 1 1 367.755 3.398 20 5 FGBDMO C[C@@H](Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000301732845 498243086 /nfs/dbraw/zinc/24/30/86/498243086.db2.gz AAYCIHODUIMWAJ-OQPBUACISA-N 1 1 367.755 3.398 20 5 FGBDMO Cc1ccc(NCc2ccc(C[NH+]3CCN(C)CC3)cc2)c([N+](=O)[O-])c1 ZINC000301805082 498272407 /nfs/dbraw/zinc/27/24/07/498272407.db2.gz DVPDPRDMKWPKJW-UHFFFAOYSA-N 1 1 354.454 3.263 20 5 FGBDMO O=[N+]([O-])c1ccc(NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c(Cl)c1 ZINC000301862305 498300122 /nfs/dbraw/zinc/30/01/22/498300122.db2.gz FNVFGTFQXSJYKC-HZPDHXFCSA-N 1 1 361.829 3.296 20 5 FGBDMO COc1cccc([C@@H]2[C@H](Nc3ncccc3[N+](=O)[O-])CC[N@H+]2C2CC2)c1 ZINC000302024157 498373670 /nfs/dbraw/zinc/37/36/70/498373670.db2.gz GAOFQCVUTHJQPS-SJLPKXTDSA-N 1 1 354.410 3.388 20 5 FGBDMO O=[N+]([O-])c1cnc(N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)nc1 ZINC000302165852 498424971 /nfs/dbraw/zinc/42/49/71/498424971.db2.gz RGAGTBNCQNWZTM-UHFFFAOYSA-N 1 1 367.453 3.410 20 5 FGBDMO C[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000293739690 498473110 /nfs/dbraw/zinc/47/31/10/498473110.db2.gz REBDFBIVBYMUCF-LBPRGKRZSA-N 1 1 351.834 3.195 20 5 FGBDMO C[C@H](NC(=O)N(C)CCC[N@@H+](C)Cc1ccco1)c1ccccc1[N+](=O)[O-] ZINC000286718468 498486353 /nfs/dbraw/zinc/48/63/53/498486353.db2.gz KIGDVROWUMEUKJ-HNNXBMFYSA-N 1 1 374.441 3.412 20 5 FGBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3coc(-c4cccc(F)c4)n3)CC2)n1 ZINC000365504121 498502631 /nfs/dbraw/zinc/50/26/31/498502631.db2.gz AUQAZUVZOCYNOF-UHFFFAOYSA-N 1 1 371.372 3.423 20 5 FGBDMO Cc1cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)ncc1[N+](=O)[O-] ZINC000302686933 498532986 /nfs/dbraw/zinc/53/29/86/498532986.db2.gz APCMCLATJMNNMB-QGZVFWFLSA-N 1 1 356.426 3.001 20 5 FGBDMO C[C@H](NC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000297685149 498535573 /nfs/dbraw/zinc/53/55/73/498535573.db2.gz PYRMJYWDEDYFOG-CABCVRRESA-N 1 1 360.458 3.172 20 5 FGBDMO O=C(CC[N@H+]1CCC=C(c2ccccn2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000578904679 506049473 /nfs/dbraw/zinc/04/94/73/506049473.db2.gz QOZOUSIYQWJQRF-UHFFFAOYSA-N 1 1 352.394 3.108 20 5 FGBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000302822132 498587949 /nfs/dbraw/zinc/58/79/49/498587949.db2.gz KLGSJNACNWYWQJ-OAHLLOKOSA-N 1 1 366.893 3.163 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000297917353 498609466 /nfs/dbraw/zinc/60/94/66/498609466.db2.gz ZEWDTICYTJEROO-FZMZJTMJSA-N 1 1 373.375 3.416 20 5 FGBDMO Cc1cc(Cl)c(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000298001080 498634531 /nfs/dbraw/zinc/63/45/31/498634531.db2.gz ZEOBKHBSQBUGFF-WFASDCNBSA-N 1 1 351.834 3.113 20 5 FGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(n3cc(Cl)cn3)CC2)c([N+](=O)[O-])c1 ZINC000365792889 498643480 /nfs/dbraw/zinc/64/34/80/498643480.db2.gz CPVVCPKMTCIVEN-UHFFFAOYSA-N 1 1 365.777 3.190 20 5 FGBDMO CC(C)c1nccn1C[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000365810245 498649723 /nfs/dbraw/zinc/64/97/23/498649723.db2.gz ABDRLJYDIIGHFR-MRXNPFEDSA-N 1 1 373.413 3.488 20 5 FGBDMO CC(C)c1nccn1C[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000365810245 498649728 /nfs/dbraw/zinc/64/97/28/498649728.db2.gz ABDRLJYDIIGHFR-MRXNPFEDSA-N 1 1 373.413 3.488 20 5 FGBDMO Cc1cccc(OCC[N@@H+](C)[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000303390738 498671076 /nfs/dbraw/zinc/67/10/76/498671076.db2.gz NHSFCHOFWJNUJW-LJQANCHMSA-N 1 1 369.421 3.019 20 5 FGBDMO Cc1cccc(OCC[N@H+](C)[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000303390738 498671083 /nfs/dbraw/zinc/67/10/83/498671083.db2.gz NHSFCHOFWJNUJW-LJQANCHMSA-N 1 1 369.421 3.019 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cc(F)c2F)[C@@H]1c1ccccc1 ZINC000363163007 498681434 /nfs/dbraw/zinc/68/14/34/498681434.db2.gz RCKSWSFBFJOBFD-RDJZCZTQSA-N 1 1 361.348 3.048 20 5 FGBDMO Cc1sc(C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000363252028 498729144 /nfs/dbraw/zinc/72/91/44/498729144.db2.gz NULUKRUXYAANCE-UHFFFAOYSA-N 1 1 360.439 3.067 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C1CCC(F)(F)CC1 ZINC000298353843 498741935 /nfs/dbraw/zinc/74/19/35/498741935.db2.gz CAHLFERNSBEENS-UHFFFAOYSA-N 1 1 371.384 3.442 20 5 FGBDMO Cc1cccc(NC2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)[nH+]1 ZINC000363412255 498806900 /nfs/dbraw/zinc/80/69/00/498806900.db2.gz PAJMBLQBVLKENN-UHFFFAOYSA-N 1 1 355.398 3.407 20 5 FGBDMO Cc1sc(C(=O)N2C[C@@H]3C[N@H+](C)[C@@H](c4ccccc4)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000363418240 498810161 /nfs/dbraw/zinc/81/01/61/498810161.db2.gz FLNMZQZZQMYOIU-DAYGRLMNSA-N 1 1 371.462 3.340 20 5 FGBDMO O=C(CC[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000283352259 498859981 /nfs/dbraw/zinc/85/99/81/498859981.db2.gz RBDDTBUOEFLGSI-YOEHRIQHSA-N 1 1 373.409 3.105 20 5 FGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000295135257 498921590 /nfs/dbraw/zinc/92/15/90/498921590.db2.gz LMMQDUVZOMEQBC-HNAYVOBHSA-N 1 1 370.453 3.286 20 5 FGBDMO C[C@H]1C[C@@H](N(C)C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[N@H+]1C ZINC000291438688 498940743 /nfs/dbraw/zinc/94/07/43/498940743.db2.gz HUGDZMKRFYKDEU-ONGXEEELSA-N 1 1 360.241 3.456 20 5 FGBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000295328987 498980486 /nfs/dbraw/zinc/98/04/86/498980486.db2.gz TXNHVCMLOAJEIQ-LLVKDONJSA-N 1 1 359.348 3.027 20 5 FGBDMO COc1cccc([N+](=O)[O-])c1NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000570244826 506122437 /nfs/dbraw/zinc/12/24/37/506122437.db2.gz QFPSGDDQEZRCPL-UHFFFAOYSA-N 1 1 357.410 3.048 20 5 FGBDMO COCCn1cc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cn1 ZINC000291601729 499008049 /nfs/dbraw/zinc/00/80/49/499008049.db2.gz QOJNUKCPYDHKNP-UHFFFAOYSA-N 1 1 359.213 3.034 20 5 FGBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000299365085 499038343 /nfs/dbraw/zinc/03/83/43/499038343.db2.gz QYNKOEAMNSKUJE-AWEZNQCLSA-N 1 1 371.441 3.113 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](CC4CC(F)(F)C4)CC3)nc2c1 ZINC000295683067 499080221 /nfs/dbraw/zinc/08/02/21/499080221.db2.gz HKCXDGSSKOBBEM-UHFFFAOYSA-N 1 1 365.384 3.029 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@]2(C1)C(=O)Nc1ccccc12 ZINC000364005194 499082671 /nfs/dbraw/zinc/08/26/71/499082671.db2.gz VBAGVGSDLYOFEV-HXUWFJFHSA-N 1 1 367.405 3.089 20 5 FGBDMO CCN(C(=O)c1ccc([N+](=O)[O-])o1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000372543082 499143418 /nfs/dbraw/zinc/14/34/18/499143418.db2.gz PBQSOBOVWOYMKS-ZBFHGGJFSA-N 1 1 357.410 3.485 20 5 FGBDMO CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1ncc([N+](=O)[O-])cc1Cl ZINC000372573219 499147636 /nfs/dbraw/zinc/14/76/36/499147636.db2.gz SEQLQJVZJHHEON-BBRMVZONSA-N 1 1 361.833 3.167 20 5 FGBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc([N+](=O)[O-])c1F ZINC000367198952 499160487 /nfs/dbraw/zinc/16/04/87/499160487.db2.gz HMEKCOWTPBCQIE-MRXNPFEDSA-N 1 1 371.412 3.328 20 5 FGBDMO COc1ccccc1-c1noc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000367219508 499163415 /nfs/dbraw/zinc/16/34/15/499163415.db2.gz NONOKJHILFJXKA-UHFFFAOYSA-N 1 1 368.393 3.328 20 5 FGBDMO COc1ccccc1-c1noc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000367219508 499163416 /nfs/dbraw/zinc/16/34/16/499163416.db2.gz NONOKJHILFJXKA-UHFFFAOYSA-N 1 1 368.393 3.328 20 5 FGBDMO CC(C)c1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)cc1[N+](=O)[O-] ZINC000367471271 499203077 /nfs/dbraw/zinc/20/30/77/499203077.db2.gz OHJOCQLBAQRFGG-NLWGTHIKSA-N 1 1 362.470 3.470 20 5 FGBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCc2cccnc21 ZINC000370305146 499207739 /nfs/dbraw/zinc/20/77/39/499207739.db2.gz GTSRJMBJFJYOTJ-QGZVFWFLSA-N 1 1 354.410 3.328 20 5 FGBDMO Cc1c(CC(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2cccs2)cccc1[N+](=O)[O-] ZINC000370816138 499257940 /nfs/dbraw/zinc/25/79/40/499257940.db2.gz JEJMDMOHPQMEOP-KXBFYZLASA-N 1 1 373.478 3.316 20 5 FGBDMO CC(C)n1cc(CN2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000370889858 499267536 /nfs/dbraw/zinc/26/75/36/499267536.db2.gz AKUJBONWJVNLNM-UHFFFAOYSA-N 1 1 357.458 3.080 20 5 FGBDMO CC(C)n1cc(C[N@@H+]2CCCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000370889858 499267539 /nfs/dbraw/zinc/26/75/39/499267539.db2.gz AKUJBONWJVNLNM-UHFFFAOYSA-N 1 1 357.458 3.080 20 5 FGBDMO CC(C)n1cc(C[N@H+]2CCCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000370889858 499267541 /nfs/dbraw/zinc/26/75/41/499267541.db2.gz AKUJBONWJVNLNM-UHFFFAOYSA-N 1 1 357.458 3.080 20 5 FGBDMO Cc1c(NC(=O)CC[N@@H+]2CC=C(c3cccnc3)CC2)cccc1[N+](=O)[O-] ZINC000371334976 499311861 /nfs/dbraw/zinc/31/18/61/499311861.db2.gz ICACYVPWAUQPPX-UHFFFAOYSA-N 1 1 366.421 3.416 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCc2cnn(CCOC)c21 ZINC000368856186 499340368 /nfs/dbraw/zinc/34/03/68/499340368.db2.gz NWYIWRUUPWMBAQ-QGZVFWFLSA-N 1 1 374.441 3.004 20 5 FGBDMO NC(=O)c1ccc(C[NH2+][C@@H](c2ccccn2)C2CCCC2)c([N+](=O)[O-])c1 ZINC000371552761 499341269 /nfs/dbraw/zinc/34/12/69/499341269.db2.gz JSUJZRCGKQHMJK-GOSISDBHSA-N 1 1 354.410 3.110 20 5 FGBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000371708745 499357799 /nfs/dbraw/zinc/35/77/99/499357799.db2.gz SYTDJFVPZYPOFU-CHWSQXEVSA-N 1 1 369.874 3.083 20 5 FGBDMO C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000372022583 499390651 /nfs/dbraw/zinc/39/06/51/499390651.db2.gz XZTDCTGHBRUYOL-UGSOOPFHSA-N 1 1 355.394 3.439 20 5 FGBDMO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000372022583 499390652 /nfs/dbraw/zinc/39/06/52/499390652.db2.gz XZTDCTGHBRUYOL-UGSOOPFHSA-N 1 1 355.394 3.439 20 5 FGBDMO Cc1nc2c(s1)CCC[C@H]2C[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000369540731 499414494 /nfs/dbraw/zinc/41/44/94/499414494.db2.gz KKEOIMKEKJRMMO-GOEBONIOSA-N 1 1 361.467 3.445 20 5 FGBDMO C[N@H+]1CC[C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000369542294 499415110 /nfs/dbraw/zinc/41/51/10/499415110.db2.gz ZUAKHZRFZPVIGY-LRDDRELGSA-N 1 1 360.439 3.471 20 5 FGBDMO O=C(COc1ccccc1[N+](=O)[O-])Nc1cccc2c1C[N@H+](C1CC1)C2 ZINC000373264091 499460545 /nfs/dbraw/zinc/46/05/45/499460545.db2.gz BFHKEFRLLVZNPO-UHFFFAOYSA-N 1 1 353.378 3.090 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]C[C@@]1(C)CCO[C@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000373367726 499465755 /nfs/dbraw/zinc/46/57/55/499465755.db2.gz AXAXRJSMOBAASE-WSTZPKSXSA-N 1 1 370.453 3.213 20 5 FGBDMO COCCn1cc2c(n1)[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)CCC2 ZINC000375195336 499494352 /nfs/dbraw/zinc/49/43/52/499494352.db2.gz CQNWABIFRQLZQB-YOEHRIQHSA-N 1 1 358.442 3.474 20 5 FGBDMO C[C@@H]1[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCC12CCOCC2 ZINC000375243938 499498661 /nfs/dbraw/zinc/49/86/61/499498661.db2.gz BYLBIHUZXGZVKO-ZDUSSCGKSA-N 1 1 358.398 3.036 20 5 FGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000375277940 499502580 /nfs/dbraw/zinc/50/25/80/499502580.db2.gz KDQWKRDXBOKNBG-UGSOOPFHSA-N 1 1 358.398 3.208 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](O)c3ccccc3C2)cccc1[N+](=O)[O-] ZINC000378492774 499523683 /nfs/dbraw/zinc/52/36/83/499523683.db2.gz HWCDBRFVGODOLZ-LJQANCHMSA-N 1 1 369.421 3.171 20 5 FGBDMO O=C(Nc1cccc2c1C[N@H+](C1CC1)C2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000378524186 499527816 /nfs/dbraw/zinc/52/78/16/499527816.db2.gz APQUSRWWYOZDMP-UHFFFAOYSA-N 1 1 368.349 3.233 20 5 FGBDMO Nc1c(C(=O)Nc2cccc3c2C[N@H+](C2CC2)C3)cc(F)cc1[N+](=O)[O-] ZINC000378527519 499528473 /nfs/dbraw/zinc/52/84/73/499528473.db2.gz VFQHHSNCRJCEHH-UHFFFAOYSA-N 1 1 356.357 3.046 20 5 FGBDMO C[N@H+]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](c2ccccc2)C1 ZINC000375888526 499564918 /nfs/dbraw/zinc/56/49/18/499564918.db2.gz FQEBJSCBLHPJDE-WBVHZDCISA-N 1 1 359.813 3.076 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000376394650 499605471 /nfs/dbraw/zinc/60/54/71/499605471.db2.gz HLPIZWYTJJNIEZ-YJJAZYOBSA-N 1 1 359.470 3.247 20 5 FGBDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3ccc([N+](=O)[O-])o3)C2)s1 ZINC000576425472 506154910 /nfs/dbraw/zinc/15/49/10/506154910.db2.gz IZDFKHWNNCIFEG-CYBMUJFWSA-N 1 1 363.439 3.152 20 5 FGBDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000411050534 499693137 /nfs/dbraw/zinc/69/31/37/499693137.db2.gz GJPPHSWBORJUHV-NSHDSACASA-N 1 1 359.348 3.170 20 5 FGBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000411050534 499693138 /nfs/dbraw/zinc/69/31/38/499693138.db2.gz GJPPHSWBORJUHV-NSHDSACASA-N 1 1 359.348 3.170 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]1c1cccnc1 ZINC000411405767 499735609 /nfs/dbraw/zinc/73/56/09/499735609.db2.gz AMTGMTHOHHUOIT-KRWDZBQOSA-N 1 1 370.409 3.164 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]CC(C)(C)OCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000414276791 499773733 /nfs/dbraw/zinc/77/37/33/499773733.db2.gz WDBOVZCEBXTMIP-KRWDZBQOSA-N 1 1 358.442 3.213 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CC1CC1)CC1CCC1 ZINC000411661016 499774498 /nfs/dbraw/zinc/77/44/98/499774498.db2.gz LBXZUMPYENWBCW-UHFFFAOYSA-N 1 1 361.442 3.444 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411918870 499803208 /nfs/dbraw/zinc/80/32/08/499803208.db2.gz ALXXUKQLVYOCEZ-PKOBYXMFSA-N 1 1 369.421 3.040 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414784555 499830843 /nfs/dbraw/zinc/83/08/43/499830843.db2.gz RLALXGZVHDMBDY-CHWSQXEVSA-N 1 1 355.385 3.018 20 5 FGBDMO CC(C)Oc1cc(C(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000413846092 500074815 /nfs/dbraw/zinc/07/48/15/500074815.db2.gz QMVVGTUGDSGVTF-QGZVFWFLSA-N 1 1 369.421 3.169 20 5 FGBDMO C[N@H+]1C[C@@H]2CCCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)[C@@H]2C1 ZINC000425360067 500084793 /nfs/dbraw/zinc/08/47/93/500084793.db2.gz VCCVDZVFLVKIFQ-WMLDXEAASA-N 1 1 358.467 3.244 20 5 FGBDMO C[N@H+]1CCC[C@H]2CN(Cc3ccc(Br)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000425428428 500103698 /nfs/dbraw/zinc/10/36/98/500103698.db2.gz WVZZJZBVHQZIPK-WFASDCNBSA-N 1 1 368.275 3.273 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000421749735 500139088 /nfs/dbraw/zinc/13/90/88/500139088.db2.gz ROWPZBAYZWGWDJ-UHFFFAOYSA-N 1 1 359.451 3.061 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000421749735 500139090 /nfs/dbraw/zinc/13/90/90/500139090.db2.gz ROWPZBAYZWGWDJ-UHFFFAOYSA-N 1 1 359.451 3.061 20 5 FGBDMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430236469 500213276 /nfs/dbraw/zinc/21/32/76/500213276.db2.gz BBSKLNSQFLLRKZ-GOSISDBHSA-N 1 1 350.415 3.015 20 5 FGBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3nc4ccc(F)cc4s3)CC2)n1 ZINC000426002916 500224111 /nfs/dbraw/zinc/22/41/11/500224111.db2.gz QLXKWNHFXGANRV-UHFFFAOYSA-N 1 1 361.402 3.377 20 5 FGBDMO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)n1 ZINC000427260504 500374336 /nfs/dbraw/zinc/37/43/36/500374336.db2.gz NODJSNHTQZSITR-CQSZACIVSA-N 1 1 371.441 3.438 20 5 FGBDMO CC[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)CCC(F)(F)F ZINC000427271353 500376293 /nfs/dbraw/zinc/37/62/93/500376293.db2.gz DLWLGEQWZIEXNP-UHFFFAOYSA-N 1 1 367.755 3.252 20 5 FGBDMO CCc1ccccc1[C@@H]([NH3+])CN[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423496892 500379433 /nfs/dbraw/zinc/37/94/33/500379433.db2.gz FSQVOFYRNSXFMT-KUHUBIRLSA-N 1 1 370.453 3.164 20 5 FGBDMO CCc1ccc(C[NH+]2CCN(c3c([N+](=O)[O-])nc(C)n3CC)CC2)s1 ZINC000579516637 506192845 /nfs/dbraw/zinc/19/28/45/506192845.db2.gz VXFYOLILZKCBOJ-UHFFFAOYSA-N 1 1 363.487 3.066 20 5 FGBDMO C[C@@H]1C[N@@H+](C(C)(C)CNc2ccnc3c2cccc3[N+](=O)[O-])C[C@H](C)O1 ZINC000432339159 500501857 /nfs/dbraw/zinc/50/18/57/500501857.db2.gz ZJYWBRGAWMZKJW-OKILXGFUSA-N 1 1 358.442 3.443 20 5 FGBDMO O=C1[C@@H]([N@@H+]2CCC[C@@H](CC(F)(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000420954145 500540921 /nfs/dbraw/zinc/54/09/21/500540921.db2.gz UKXOMWLCPCKGIE-WFASDCNBSA-N 1 1 371.359 3.365 20 5 FGBDMO O=C1[C@@H]([N@H+]2CCC[C@@H](CC(F)(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000420954145 500540924 /nfs/dbraw/zinc/54/09/24/500540924.db2.gz UKXOMWLCPCKGIE-WFASDCNBSA-N 1 1 371.359 3.365 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)n1 ZINC000428685480 500542997 /nfs/dbraw/zinc/54/29/97/500542997.db2.gz XQHGTKNQXJHYFN-SFHVURJKSA-N 1 1 370.453 3.310 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000428722524 500548805 /nfs/dbraw/zinc/54/88/05/500548805.db2.gz WVQYQJPQJUZETP-ZBFHGGJFSA-N 1 1 353.369 3.209 20 5 FGBDMO O=C(NCC[NH+]1CCC1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442644015 500608104 /nfs/dbraw/zinc/60/81/04/500608104.db2.gz HHOARQMJLZUBBI-UHFFFAOYSA-N 1 1 357.435 3.182 20 5 FGBDMO CCc1ccc([C@H]2CC[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000433069796 500618515 /nfs/dbraw/zinc/61/85/15/500618515.db2.gz WCEVMTKXJUWQQU-OALUTQOASA-N 1 1 370.449 3.386 20 5 FGBDMO CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442766795 500622876 /nfs/dbraw/zinc/62/28/76/500622876.db2.gz PBHGDVAWDSEHCQ-FKEKPDDDSA-N 1 1 356.426 3.007 20 5 FGBDMO Cc1ccc2nc(C[NH2+][C@@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)[nH]c2c1 ZINC000447563965 500625588 /nfs/dbraw/zinc/62/55/88/500625588.db2.gz TVRRNPKOQUYETH-GDBMZVCRSA-N 1 1 354.414 3.250 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](C)[C@@H]2CO)cc1OC ZINC000442882218 500639556 /nfs/dbraw/zinc/63/95/56/500639556.db2.gz COVADPGIHGACNN-VBQJREDUSA-N 1 1 366.458 3.231 20 5 FGBDMO C[N@H+]1CCC[C@H](CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1c1cccs1 ZINC000447688375 500646258 /nfs/dbraw/zinc/64/62/58/500646258.db2.gz XQJAVBUISDLZTN-PXAZEXFGSA-N 1 1 371.466 3.450 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)c([N+](=O)[O-])cc1OC(F)F ZINC000443349778 500713708 /nfs/dbraw/zinc/71/37/08/500713708.db2.gz YSVLHZIYEIMRNY-GVXVVHGQSA-N 1 1 374.384 3.186 20 5 FGBDMO COc1ccccc1C[C@H](C)[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000444235661 500822242 /nfs/dbraw/zinc/82/22/42/500822242.db2.gz GTBPMYJOWFZUNG-HNNXBMFYSA-N 1 1 371.437 3.413 20 5 FGBDMO C[C@H]1[C@@H](NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CCC[N@H+]1C ZINC000444303036 500832167 /nfs/dbraw/zinc/83/21/67/500832167.db2.gz LHWFVBCWMSUVMR-SJCJKPOMSA-N 1 1 367.424 3.033 20 5 FGBDMO CCOC(=O)CC1([NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCCC1 ZINC000434616287 500866069 /nfs/dbraw/zinc/86/60/69/500866069.db2.gz PZOIZIDZYDCIIS-UHFFFAOYSA-N 1 1 374.397 3.000 20 5 FGBDMO COc1ccc(COCC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000602581509 506223084 /nfs/dbraw/zinc/22/30/84/506223084.db2.gz IZRLHJXGNMIPOS-UHFFFAOYSA-N 1 1 357.366 3.051 20 5 FGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000449045341 500909812 /nfs/dbraw/zinc/90/98/12/500909812.db2.gz GELSXHZAEKGZKM-MRXNPFEDSA-N 1 1 355.438 3.470 20 5 FGBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444967410 500927106 /nfs/dbraw/zinc/92/71/06/500927106.db2.gz AAGLZSCVYXIXIU-UHFFFAOYSA-N 1 1 374.444 3.349 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000439869354 500948502 /nfs/dbraw/zinc/94/85/02/500948502.db2.gz JCAQYLOHOKFYAC-KBPBESRZSA-N 1 1 364.446 3.235 20 5 FGBDMO COc1ccc(C[N@H+]2CCC=C(c3cn(C(C)C)nn3)CC2)cc1[N+](=O)[O-] ZINC000449473203 501011321 /nfs/dbraw/zinc/01/13/21/501011321.db2.gz RLAJYNOMHXCZHJ-UHFFFAOYSA-N 1 1 371.441 3.455 20 5 FGBDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(=O)N1c2ccccc2C[C@H]1C ZINC000449644510 501048582 /nfs/dbraw/zinc/04/85/82/501048582.db2.gz FLSGHHFDFHLEST-CHWSQXEVSA-N 1 1 357.385 3.190 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436095288 501069983 /nfs/dbraw/zinc/06/99/83/501069983.db2.gz BBRVZNNRQFLISD-HNNXBMFYSA-N 1 1 363.461 3.286 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000446233673 501092222 /nfs/dbraw/zinc/09/22/22/501092222.db2.gz KBXGOIQBSKSLHY-AWEZNQCLSA-N 1 1 365.861 3.361 20 5 FGBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000450540469 501148973 /nfs/dbraw/zinc/14/89/73/501148973.db2.gz AFACHZBFWIMEPA-IBGZPJMESA-N 1 1 356.426 3.074 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3OC3CC3)C2)nc1 ZINC000450567254 501155980 /nfs/dbraw/zinc/15/59/80/501155980.db2.gz LRJSAWGRLBQAMP-OAHLLOKOSA-N 1 1 354.410 3.217 20 5 FGBDMO Cc1[nH+]ccn1-c1cncc(N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000450758528 501201946 /nfs/dbraw/zinc/20/19/46/501201946.db2.gz LVKZQFBIPSBEMV-INIZCTEOSA-N 1 1 364.409 3.263 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC(F)(F)c3ccccc3)CC2)cn1 ZINC000602640776 506240892 /nfs/dbraw/zinc/24/08/92/506240892.db2.gz CWYRXGWRECLNOC-UHFFFAOYSA-N 1 1 362.380 3.340 20 5 FGBDMO O=C(Nc1ccc([N+](=O)[O-])cc1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000447131110 501207967 /nfs/dbraw/zinc/20/79/67/501207967.db2.gz ZZRLFBKULUPLBI-UHFFFAOYSA-N 1 1 359.292 3.365 20 5 FGBDMO C[C@@H]1Cc2[nH+]cn(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)c2C[C@H]1C ZINC000451004301 501238531 /nfs/dbraw/zinc/23/85/31/501238531.db2.gz WNBFDMVYLDHLGI-VXGBXAGGSA-N 1 1 353.382 3.260 20 5 FGBDMO CC(C)(C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1)C(N)=O ZINC000451220799 501253294 /nfs/dbraw/zinc/25/32/94/501253294.db2.gz WLKKOSYABKXUQU-LBPRGKRZSA-N 1 1 353.850 3.362 20 5 FGBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000451295381 501258698 /nfs/dbraw/zinc/25/86/98/501258698.db2.gz MZSRHKIPZHZOBW-CQSZACIVSA-N 1 1 373.375 3.464 20 5 FGBDMO COc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c([N+](=O)[O-])cc1F ZINC000451343892 501270737 /nfs/dbraw/zinc/27/07/37/501270737.db2.gz AAJDQYXIICTDLM-UNEWFSDZSA-N 1 1 352.406 3.258 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCn1c[nH+]c2c1C[C@@H](C)[C@H](C)C2 ZINC000451346684 501271293 /nfs/dbraw/zinc/27/12/93/501271293.db2.gz UPAZQMSPRRXMNL-ZIAGYGMSSA-N 1 1 356.426 3.499 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@@H]3[C@@H]3CCC[C@H]3O)o2)c1 ZINC000451414805 501287615 /nfs/dbraw/zinc/28/76/15/501287615.db2.gz DTCKYKBTMGKKRW-RCCFBDPRSA-N 1 1 371.437 3.418 20 5 FGBDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000592788933 506244684 /nfs/dbraw/zinc/24/46/84/506244684.db2.gz PIJDZWGABOVXDE-LBPRGKRZSA-N 1 1 364.833 3.317 20 5 FGBDMO Cc1cc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cc2cccnc12 ZINC000453584090 501354046 /nfs/dbraw/zinc/35/40/46/501354046.db2.gz ZQSXBGRAHPJRHH-UHFFFAOYSA-N 1 1 363.421 3.169 20 5 FGBDMO COCCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccncc1 ZINC000602658046 506249820 /nfs/dbraw/zinc/24/98/20/506249820.db2.gz WGTOSRKKFLVMCR-UHFFFAOYSA-N 1 1 356.382 3.170 20 5 FGBDMO COCCC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccncc1 ZINC000602658046 506249831 /nfs/dbraw/zinc/24/98/31/506249831.db2.gz WGTOSRKKFLVMCR-UHFFFAOYSA-N 1 1 356.382 3.170 20 5 FGBDMO COC(=O)[C@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1c1ccccc1 ZINC000452012937 501418107 /nfs/dbraw/zinc/41/81/07/501418107.db2.gz YDVXSKBYJCNIGM-CABCVRRESA-N 1 1 358.369 3.123 20 5 FGBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000458408168 501438311 /nfs/dbraw/zinc/43/83/11/501438311.db2.gz BADOTSDTDIIMOZ-GOSISDBHSA-N 1 1 362.474 3.042 20 5 FGBDMO COC(=O)c1c(Cl)c(N2CCC[N@H+](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000596094013 506253491 /nfs/dbraw/zinc/25/34/91/506253491.db2.gz GSYNNTZNXCJDDG-UHFFFAOYSA-N 1 1 369.849 3.345 20 5 FGBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000452169994 501450347 /nfs/dbraw/zinc/45/03/47/501450347.db2.gz HLMRGMCGBZCMIE-RDJZCZTQSA-N 1 1 359.470 3.106 20 5 FGBDMO COCCOCc1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000602677691 506258894 /nfs/dbraw/zinc/25/88/94/506258894.db2.gz ROADAOSPVYBICY-UHFFFAOYSA-N 1 1 371.393 3.189 20 5 FGBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454467145 501552223 /nfs/dbraw/zinc/55/22/23/501552223.db2.gz MZYAEYODHJDVFQ-NVXWUHKLSA-N 1 1 362.474 3.214 20 5 FGBDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C1)C2 ZINC000452841411 501572127 /nfs/dbraw/zinc/57/21/27/501572127.db2.gz HCSURNMIVPOPMT-IAGOWNOFSA-N 1 1 368.437 3.068 20 5 FGBDMO CCOCCC[N@H+]1CC[C@@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000611705102 506263948 /nfs/dbraw/zinc/26/39/48/506263948.db2.gz FMRNYGLUSXEMOT-RHSMWYFYSA-N 1 1 373.457 3.087 20 5 FGBDMO CC1(C)CCC[N@H+]1CCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000457060344 501643124 /nfs/dbraw/zinc/64/31/24/501643124.db2.gz RWIIPLIPUAWKRA-UHFFFAOYSA-N 1 1 363.461 3.286 20 5 FGBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000457097187 501649746 /nfs/dbraw/zinc/64/97/46/501649746.db2.gz RQVASMRCQZDPJG-ZDUSSCGKSA-N 1 1 359.348 3.168 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000459576584 501679913 /nfs/dbraw/zinc/67/99/13/501679913.db2.gz GMMONQHCFNCNJB-SFHVURJKSA-N 1 1 350.415 3.157 20 5 FGBDMO CCCN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](C)C1 ZINC000592828919 506267684 /nfs/dbraw/zinc/26/76/84/506267684.db2.gz LFDWXXWJYLRBDP-ZDUSSCGKSA-N 1 1 371.890 3.283 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC4(CCC4)[C@H]4COC[C@H]43)o2)c1 ZINC000459684237 501698689 /nfs/dbraw/zinc/69/86/89/501698689.db2.gz UMKNBFNYXGKJHA-DLBZAZTESA-N 1 1 369.421 3.293 20 5 FGBDMO COc1cc(C[N@H+](C)CCOc2ccc(F)cc2)c([N+](=O)[O-])cc1F ZINC000463496080 501742271 /nfs/dbraw/zinc/74/22/71/501742271.db2.gz FOYGSIMPGKGJPF-UHFFFAOYSA-N 1 1 352.337 3.392 20 5 FGBDMO COc1cc(C[N@@H+](C)CCOc2ccc(F)cc2)c([N+](=O)[O-])cc1F ZINC000463496080 501742277 /nfs/dbraw/zinc/74/22/77/501742277.db2.gz FOYGSIMPGKGJPF-UHFFFAOYSA-N 1 1 352.337 3.392 20 5 FGBDMO COc1cccc([C@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)OC)c1 ZINC000602719823 506273581 /nfs/dbraw/zinc/27/35/81/506273581.db2.gz AAKMXRJHPXXTOC-KRWDZBQOSA-N 1 1 357.366 3.222 20 5 FGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000602723385 506274269 /nfs/dbraw/zinc/27/42/69/506274269.db2.gz FSOGTUSJYNPNEX-RSPPDBIESA-N 1 1 362.373 3.099 20 5 FGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000602723385 506274273 /nfs/dbraw/zinc/27/42/73/506274273.db2.gz FSOGTUSJYNPNEX-RSPPDBIESA-N 1 1 362.373 3.099 20 5 FGBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000485543732 501854132 /nfs/dbraw/zinc/85/41/32/501854132.db2.gz MSGVLUGJRMDXFG-GOSISDBHSA-N 1 1 369.421 3.231 20 5 FGBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000485543732 501854136 /nfs/dbraw/zinc/85/41/36/501854136.db2.gz MSGVLUGJRMDXFG-GOSISDBHSA-N 1 1 369.421 3.231 20 5 FGBDMO C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000481791634 501885231 /nfs/dbraw/zinc/88/52/31/501885231.db2.gz FWURHZGGIXVLNM-FUHWJXTLSA-N 1 1 373.840 3.005 20 5 FGBDMO O=[N+]([O-])c1ccc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c(F)c1 ZINC000471005236 501890021 /nfs/dbraw/zinc/89/00/21/501890021.db2.gz FZLJFIPHCUVHFJ-HDICACEKSA-N 1 1 355.413 3.298 20 5 FGBDMO O=C1[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCN1C1CCC1 ZINC000599019532 506280353 /nfs/dbraw/zinc/28/03/53/506280353.db2.gz GLMIEDLHXOPFKN-QGZVFWFLSA-N 1 1 355.394 3.098 20 5 FGBDMO CC(C)[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000486019336 502020201 /nfs/dbraw/zinc/02/02/01/502020201.db2.gz UYNIZPSZBVRCMJ-UHFFFAOYSA-N 1 1 370.453 3.277 20 5 FGBDMO CCC1(CC)C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCS1 ZINC000464582078 502035283 /nfs/dbraw/zinc/03/52/83/502035283.db2.gz KZRFSVRTVIQFMN-UHFFFAOYSA-N 1 1 351.472 3.449 20 5 FGBDMO CCC1(CC)C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCS1 ZINC000464582078 502035289 /nfs/dbraw/zinc/03/52/89/502035289.db2.gz KZRFSVRTVIQFMN-UHFFFAOYSA-N 1 1 351.472 3.449 20 5 FGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000602764241 506290401 /nfs/dbraw/zinc/29/04/01/506290401.db2.gz ODDUSHSVNVGTKY-AOOOYVTPSA-N 1 1 374.285 3.162 20 5 FGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000602764241 506290403 /nfs/dbraw/zinc/29/04/03/506290403.db2.gz ODDUSHSVNVGTKY-AOOOYVTPSA-N 1 1 374.285 3.162 20 5 FGBDMO COc1cc(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000478673929 502052117 /nfs/dbraw/zinc/05/21/17/502052117.db2.gz GICZZQPFOXGGMS-OKILXGFUSA-N 1 1 363.458 3.010 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC000468474976 502070635 /nfs/dbraw/zinc/07/06/35/502070635.db2.gz LGRWNXAICFOWNK-HNNXBMFYSA-N 1 1 351.472 3.167 20 5 FGBDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1(C)C ZINC000464827301 502108573 /nfs/dbraw/zinc/10/85/73/502108573.db2.gz HBURJQIORSHENM-APWZRJJASA-N 1 1 363.458 3.367 20 5 FGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000602782204 506297023 /nfs/dbraw/zinc/29/70/23/506297023.db2.gz VYBIZPYXHPNZCG-LPHOPBHVSA-N 1 1 371.485 3.085 20 5 FGBDMO Cc1ncc([N+](=O)[O-])n1CCN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000602782204 506297027 /nfs/dbraw/zinc/29/70/27/506297027.db2.gz VYBIZPYXHPNZCG-LPHOPBHVSA-N 1 1 371.485 3.085 20 5 FGBDMO Cc1ncc([N+](=O)[O-])n1CCN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000602782204 506297033 /nfs/dbraw/zinc/29/70/33/506297033.db2.gz VYBIZPYXHPNZCG-LPHOPBHVSA-N 1 1 371.485 3.085 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](n1cccn1)C(F)(F)F ZINC000599056759 506299041 /nfs/dbraw/zinc/29/90/41/506299041.db2.gz NKIRVTPFSFTRQQ-IINYFYTJSA-N 1 1 358.320 3.254 20 5 FGBDMO CCOc1cc(N2CC[NH+](Cc3ccc(C)nc3)CC2)ccc1[N+](=O)[O-] ZINC000475517364 502200864 /nfs/dbraw/zinc/20/08/64/502200864.db2.gz STTFLHHEVGBTOE-UHFFFAOYSA-N 1 1 356.426 3.019 20 5 FGBDMO O=C(NC[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC000482906787 502213094 /nfs/dbraw/zinc/21/30/94/502213094.db2.gz SEWTXTGLXNBEGJ-SFHVURJKSA-N 1 1 367.449 3.279 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(O)(Cc2cccc(C)c2)CC1 ZINC000482948769 502224716 /nfs/dbraw/zinc/22/47/16/502224716.db2.gz RVAISXFSHPMGNB-UHFFFAOYSA-N 1 1 370.449 3.481 20 5 FGBDMO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cc2cccc(F)c2o1 ZINC000475724929 502265550 /nfs/dbraw/zinc/26/55/50/502265550.db2.gz MVPGJNQLLITEJM-JTQLQIEISA-N 1 1 357.341 3.430 20 5 FGBDMO O=C(NC[C@@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000472272184 502293586 /nfs/dbraw/zinc/29/35/86/502293586.db2.gz DZFRBXKQSSHVBW-FQEVSTJZSA-N 1 1 367.449 3.422 20 5 FGBDMO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000472338991 502321385 /nfs/dbraw/zinc/32/13/85/502321385.db2.gz AWJQAWNPUTVBHE-GDBMZVCRSA-N 1 1 353.422 3.147 20 5 FGBDMO O=[N+]([O-])c1cccc(C[N@H+](CCO)Cc2ccc(Br)s2)c1 ZINC000483503825 502413362 /nfs/dbraw/zinc/41/33/62/502413362.db2.gz PKWXKNRPEXSRDJ-UHFFFAOYSA-N 1 1 371.256 3.413 20 5 FGBDMO O=[N+]([O-])c1cccc(C[N@@H+](CCO)Cc2ccc(Br)s2)c1 ZINC000483503825 502413365 /nfs/dbraw/zinc/41/33/65/502413365.db2.gz PKWXKNRPEXSRDJ-UHFFFAOYSA-N 1 1 371.256 3.413 20 5 FGBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[NH+](CCOc2ccccc2)CC1 ZINC000487522592 502467217 /nfs/dbraw/zinc/46/72/17/502467217.db2.gz FINOFPJXTMWCKS-QGZVFWFLSA-N 1 1 355.438 3.352 20 5 FGBDMO C[C@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000487813832 502535673 /nfs/dbraw/zinc/53/56/73/502535673.db2.gz BMUUZZRNPMTLBZ-HUUCEWRRSA-N 1 1 362.474 3.250 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cc(Cl)ccc1N1CCOCC1 ZINC000466359771 502546680 /nfs/dbraw/zinc/54/66/80/502546680.db2.gz SGFMPKNPFBLDJO-UHFFFAOYSA-N 1 1 361.829 3.375 20 5 FGBDMO Cc1cc(OCC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000484147967 502584286 /nfs/dbraw/zinc/58/42/86/502584286.db2.gz QKKWTMWMKXUGRU-INIZCTEOSA-N 1 1 363.458 3.053 20 5 FGBDMO COCC[N@@H+](C)CCCNc1cc(C)c([N+](=O)[O-])cc1Br ZINC000473528743 502624418 /nfs/dbraw/zinc/62/44/18/502624418.db2.gz UXCBVMNXLOWUKZ-UHFFFAOYSA-N 1 1 360.252 3.046 20 5 FGBDMO C[C@H](c1cccnc1)[NH+]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000488094583 502625782 /nfs/dbraw/zinc/62/57/82/502625782.db2.gz VPBKMRWFSDEDRY-OAHLLOKOSA-N 1 1 363.421 3.421 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000470174530 502695121 /nfs/dbraw/zinc/69/51/21/502695121.db2.gz LVFROBFXRVDRHA-NWNNTGRJSA-N 1 1 359.470 3.183 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000470174530 502695124 /nfs/dbraw/zinc/69/51/24/502695124.db2.gz LVFROBFXRVDRHA-NWNNTGRJSA-N 1 1 359.470 3.183 20 5 FGBDMO CCC[C@H]1CN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC[N@H+]1CCOC ZINC000470180478 502697420 /nfs/dbraw/zinc/69/74/20/502697420.db2.gz NXGVJWLFONSEJU-QUHSPFQSSA-N 1 1 361.486 3.431 20 5 FGBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000470278333 502723860 /nfs/dbraw/zinc/72/38/60/502723860.db2.gz DZFDHYNNXPBPGJ-KRWDZBQOSA-N 1 1 361.486 3.402 20 5 FGBDMO C[C@H](NC(=O)N1CC([N@@H+](C)Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000480996138 502724212 /nfs/dbraw/zinc/72/42/12/502724212.db2.gz AFBPTYMHNMBROG-HNNXBMFYSA-N 1 1 368.437 3.182 20 5 FGBDMO C[C@]1(Cc2ccccc2)CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000467019303 502759973 /nfs/dbraw/zinc/75/99/73/502759973.db2.gz WNPCDWUCTNDMNZ-WIYYLYMNSA-N 1 1 370.449 3.432 20 5 FGBDMO C[C@@H]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000467043517 502768647 /nfs/dbraw/zinc/76/86/47/502768647.db2.gz DRSAMBVOJPNJBU-CXAGYDPISA-N 1 1 357.385 3.127 20 5 FGBDMO COC(=O)c1c(Cl)c(NCC[C@@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000596269242 506335758 /nfs/dbraw/zinc/33/57/58/506335758.db2.gz GOASNUZASJPQJS-NSHDSACASA-N 1 1 355.822 3.179 20 5 FGBDMO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509264877 502862985 /nfs/dbraw/zinc/86/29/85/502862985.db2.gz SVWKDSHZXSUVNK-STQMWFEESA-N 1 1 369.412 3.390 20 5 FGBDMO CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509264877 502862988 /nfs/dbraw/zinc/86/29/88/502862988.db2.gz SVWKDSHZXSUVNK-STQMWFEESA-N 1 1 369.412 3.390 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000500868787 502882627 /nfs/dbraw/zinc/88/26/27/502882627.db2.gz ZIGJWMJUXBNHPO-NVXWUHKLSA-N 1 1 353.422 3.469 20 5 FGBDMO COc1cc2c(cc1F)C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000501059144 502924428 /nfs/dbraw/zinc/92/44/28/502924428.db2.gz LJMNFMZKGGMMDB-UHFFFAOYSA-N 1 1 373.384 3.129 20 5 FGBDMO COc1cc2c(cc1F)C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000501059144 502924430 /nfs/dbraw/zinc/92/44/30/502924430.db2.gz LJMNFMZKGGMMDB-UHFFFAOYSA-N 1 1 373.384 3.129 20 5 FGBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)C2)C1 ZINC000505539499 502930585 /nfs/dbraw/zinc/93/05/85/502930585.db2.gz WRIQIHQOZRJTGY-FQEVSTJZSA-N 1 1 359.470 3.450 20 5 FGBDMO CCOc1ccc(C[NH+]2CCN(Cc3c(F)cccc3[N+](=O)[O-])CC2)cc1 ZINC000505609359 502949531 /nfs/dbraw/zinc/94/95/31/502949531.db2.gz JYDMBMKSIDLAQG-UHFFFAOYSA-N 1 1 373.428 3.450 20 5 FGBDMO C[N@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@H]1CC1(C)C ZINC000489444141 502959420 /nfs/dbraw/zinc/95/94/20/502959420.db2.gz CPIWEMUGIIOSBX-AWEZNQCLSA-N 1 1 360.439 3.387 20 5 FGBDMO C[N@@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@H]1CC1(C)C ZINC000489444141 502959425 /nfs/dbraw/zinc/95/94/25/502959425.db2.gz CPIWEMUGIIOSBX-AWEZNQCLSA-N 1 1 360.439 3.387 20 5 FGBDMO COC(=O)c1c(Cl)c(N[C@H]2CCC[N@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000596295705 506344261 /nfs/dbraw/zinc/34/42/61/506344261.db2.gz CWARQHUMCKHFMK-WCQYABFASA-N 1 1 367.833 3.464 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505832218 502994752 /nfs/dbraw/zinc/99/47/52/502994752.db2.gz LSUSFYZPWWPSEC-INIZCTEOSA-N 1 1 369.421 3.243 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505832218 502994753 /nfs/dbraw/zinc/99/47/53/502994753.db2.gz LSUSFYZPWWPSEC-INIZCTEOSA-N 1 1 369.421 3.243 20 5 FGBDMO CCOc1cccc(N2CC[NH+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000490085222 503106988 /nfs/dbraw/zinc/10/69/88/503106988.db2.gz FGMODPCDJCNFRX-HNNXBMFYSA-N 1 1 356.426 3.272 20 5 FGBDMO CC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)CC1 ZINC000490429423 503172839 /nfs/dbraw/zinc/17/28/39/503172839.db2.gz FUOBAJYMZGIBLK-UHFFFAOYSA-N 1 1 351.472 3.121 20 5 FGBDMO CCOC(=O)CC(C)(C)[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000490650057 503209631 /nfs/dbraw/zinc/20/96/31/503209631.db2.gz KTKFRIYXANIOSD-UHFFFAOYSA-N 1 1 361.398 3.413 20 5 FGBDMO Cc1cc(C)cc(OC[C@@H](O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000511135763 503265431 /nfs/dbraw/zinc/26/54/31/503265431.db2.gz HTBIQERPGGIUGN-SFHVURJKSA-N 1 1 358.438 3.126 20 5 FGBDMO C[C@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511252043 503287702 /nfs/dbraw/zinc/28/77/02/503287702.db2.gz KJIYDUDOGDONIN-UONOGXRCSA-N 1 1 370.453 3.459 20 5 FGBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000507567629 503324512 /nfs/dbraw/zinc/32/45/12/503324512.db2.gz QSAWLPNLIFSAIC-CQSZACIVSA-N 1 1 374.485 3.409 20 5 FGBDMO COc1cccc([C@@H](C)[NH+]2CCN(Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000507717613 503354426 /nfs/dbraw/zinc/35/44/26/503354426.db2.gz KYEUPRVAMBSKJS-MRXNPFEDSA-N 1 1 355.438 3.482 20 5 FGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)cc1 ZINC000511781566 503386361 /nfs/dbraw/zinc/38/63/61/503386361.db2.gz PNTBOCDMSOOSQM-QHAWAJNXSA-N 1 1 368.433 3.478 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000492954179 503395713 /nfs/dbraw/zinc/39/57/13/503395713.db2.gz AWSAVZBUUXPQAZ-RDJZCZTQSA-N 1 1 374.485 3.338 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000499421982 503399357 /nfs/dbraw/zinc/39/93/57/503399357.db2.gz LDHWADWXJQPGPT-IAGOWNOFSA-N 1 1 367.449 3.259 20 5 FGBDMO C[C@@](CO)([NH2+]Cc1cccc(F)c1OC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000602963263 506369198 /nfs/dbraw/zinc/36/91/98/506369198.db2.gz UAOHTZCLTURSRB-KRWDZBQOSA-N 1 1 370.327 3.333 20 5 FGBDMO COCC[N@@H+](C)CCCC1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000515817223 503406983 /nfs/dbraw/zinc/40/69/83/503406983.db2.gz IFVITTGFYQEYCF-UHFFFAOYSA-N 1 1 353.438 3.309 20 5 FGBDMO CC(C)C[N@H+](CC(N)=O)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000508052479 503420041 /nfs/dbraw/zinc/42/00/41/503420041.db2.gz FMKCUBXVQFKFFB-UHFFFAOYSA-N 1 1 370.453 3.306 20 5 FGBDMO CC(C)C[N@@H+](CC(N)=O)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000508052479 503420043 /nfs/dbraw/zinc/42/00/43/503420043.db2.gz FMKCUBXVQFKFFB-UHFFFAOYSA-N 1 1 370.453 3.306 20 5 FGBDMO CCN(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](CC)C1 ZINC000596357909 506370421 /nfs/dbraw/zinc/37/04/21/506370421.db2.gz TVIUMMQIFAPOKE-GOSISDBHSA-N 1 1 362.474 3.043 20 5 FGBDMO CCC[C@@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000499641203 503448644 /nfs/dbraw/zinc/44/86/44/503448644.db2.gz LRLMSLUNFFZBFA-OAHLLOKOSA-N 1 1 358.442 3.080 20 5 FGBDMO Cc1cccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000493998130 503472511 /nfs/dbraw/zinc/47/25/11/503472511.db2.gz BYWPVHRBVBZWBH-YJBOKZPZSA-N 1 1 353.422 3.296 20 5 FGBDMO COC(=O)COc1ccc(CNc2cc(C3CC3)cc[nH+]2)cc1[N+](=O)[O-] ZINC000516217519 503473144 /nfs/dbraw/zinc/47/31/44/503473144.db2.gz MCLHMPNXLITUAT-UHFFFAOYSA-N 1 1 357.366 3.031 20 5 FGBDMO Cc1sc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cc1[N+](=O)[O-] ZINC000494058026 503480583 /nfs/dbraw/zinc/48/05/83/503480583.db2.gz DXPWIQYOQAQYOX-WFASDCNBSA-N 1 1 359.451 3.358 20 5 FGBDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)CO1 ZINC000500099690 503553596 /nfs/dbraw/zinc/55/35/96/503553596.db2.gz QCUOFVYFOBNESS-BEFAXECRSA-N 1 1 369.421 3.385 20 5 FGBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)CO1 ZINC000500099690 503553599 /nfs/dbraw/zinc/55/35/99/503553599.db2.gz QCUOFVYFOBNESS-BEFAXECRSA-N 1 1 369.421 3.385 20 5 FGBDMO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC000500187857 503574756 /nfs/dbraw/zinc/57/47/56/503574756.db2.gz RPTREUPPNAHREW-UHFFFAOYSA-N 1 1 371.412 3.471 20 5 FGBDMO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC000500187857 503574760 /nfs/dbraw/zinc/57/47/60/503574760.db2.gz 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CXSYQXABBYEITO-OAHLLOKOSA-N 1 1 361.486 3.499 20 5 FGBDMO CSc1ccc(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000597854649 507135724 /nfs/dbraw/zinc/13/57/24/507135724.db2.gz KPERVCPSNIXGQW-LBPRGKRZSA-N 1 1 351.472 3.167 20 5 FGBDMO CC1CCN(c2ccc(C(=O)N[C@H]3CC[N@@H+](C)[C@H](C)C3)cc2[N+](=O)[O-])CC1 ZINC000610208517 507139899 /nfs/dbraw/zinc/13/98/99/507139899.db2.gz BELSAVGZTZRSMB-WBVHZDCISA-N 1 1 374.485 3.044 20 5 FGBDMO Cc1cc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000610297107 507183022 /nfs/dbraw/zinc/18/30/22/507183022.db2.gz LLSHIMGTUUDFMN-GOSISDBHSA-N 1 1 353.422 3.250 20 5 FGBDMO C[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccc([N+](=O)[O-])c2ncccc12 ZINC000613639348 507192124 /nfs/dbraw/zinc/19/21/24/507192124.db2.gz PGCKSMALVRRTIV-MRXNPFEDSA-N 1 1 367.405 3.015 20 5 FGBDMO O=C(c1cc(N[C@H]2CCC[N@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-])N1CCCC1 ZINC000594598047 507202355 /nfs/dbraw/zinc/20/23/55/507202355.db2.gz GDSVPTJFSMLPAK-PKOBYXMFSA-N 1 1 372.469 3.260 20 5 FGBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000610446040 507243698 /nfs/dbraw/zinc/24/36/98/507243698.db2.gz OFJLLSAEBAAFQE-QGZVFWFLSA-N 1 1 367.449 3.260 20 5 FGBDMO O=[N+]([O-])c1ncccc1N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000610469444 507251583 /nfs/dbraw/zinc/25/15/83/507251583.db2.gz SRHHATCKRXZNDB-HXUWFJFHSA-N 1 1 352.438 3.482 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@H]3CCOC4(CCSCC4)C3)c2c1 ZINC000601131773 507272544 /nfs/dbraw/zinc/27/25/44/507272544.db2.gz QJHNWBXBYLXRLB-ZDUSSCGKSA-N 1 1 359.451 3.422 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[C@@H](c4nncn4C4CC4)C3)c2c1 ZINC000601136759 507273887 /nfs/dbraw/zinc/27/38/87/507273887.db2.gz WYIGIFRMEMZXGE-CYBMUJFWSA-N 1 1 364.409 3.453 20 5 FGBDMO O=C1CCCN1[C@@H]1CCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601176322 507287997 /nfs/dbraw/zinc/28/79/97/507287997.db2.gz NSECFZSEKPCVDN-CQSZACIVSA-N 1 1 354.410 3.124 20 5 FGBDMO CSc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000598219030 507322731 /nfs/dbraw/zinc/32/27/31/507322731.db2.gz KXKDKJATPBGITR-CQSZACIVSA-N 1 1 363.483 3.454 20 5 FGBDMO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000598218100 507323462 /nfs/dbraw/zinc/32/34/62/507323462.db2.gz FYYFKEXDITUMEV-LBPRGKRZSA-N 1 1 351.834 3.385 20 5 FGBDMO Cn1ncc(Br)c1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000601292952 507325161 /nfs/dbraw/zinc/32/51/61/507325161.db2.gz ZNSSOYNLGKRMJV-AWEZNQCLSA-N 1 1 365.231 3.258 20 5 FGBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601310034 507332138 /nfs/dbraw/zinc/33/21/38/507332138.db2.gz IKOQLJDWYARLIO-MRXNPFEDSA-N 1 1 359.470 3.111 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@H](Nc3ccsc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000610677975 507344526 /nfs/dbraw/zinc/34/45/26/507344526.db2.gz YICHFCQLBXSMKJ-ZDUSSCGKSA-N 1 1 363.439 3.360 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@H](Nc3ccsc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000610677975 507344530 /nfs/dbraw/zinc/34/45/30/507344530.db2.gz YICHFCQLBXSMKJ-ZDUSSCGKSA-N 1 1 363.439 3.360 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000595038339 507363937 /nfs/dbraw/zinc/36/39/37/507363937.db2.gz LUVOHJXFPSLFAT-CHWSQXEVSA-N 1 1 373.384 3.199 20 5 FGBDMO CC(C)[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000610788690 507391052 /nfs/dbraw/zinc/39/10/52/507391052.db2.gz DFIFRQMVRUCHNG-IBGZPJMESA-N 1 1 353.422 3.449 20 5 FGBDMO Cn1cc(C[N@H+]2CCOCC3(CCCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000614253583 507428513 /nfs/dbraw/zinc/42/85/13/507428513.db2.gz OMVQEGIOJXKBNB-UHFFFAOYSA-N 1 1 370.453 3.388 20 5 FGBDMO CCCCN(C)C(=O)C1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595293354 507451174 /nfs/dbraw/zinc/45/11/74/507451174.db2.gz LLDHEJPJLJHZIY-UHFFFAOYSA-N 1 1 351.422 3.204 20 5 FGBDMO CC1CCN(C(=O)C2CC[NH+](Cc3ccc(F)cc3[N+](=O)[O-])CC2)CC1 ZINC000595296136 507451328 /nfs/dbraw/zinc/45/13/28/507451328.db2.gz IYTLIQQCIDEKCJ-UHFFFAOYSA-N 1 1 363.433 3.204 20 5 FGBDMO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(F)cc3[N+](=O)[O-])CC2)C1 ZINC000595297763 507452648 /nfs/dbraw/zinc/45/26/48/507452648.db2.gz OHNMAJJMSLJYPV-AWEZNQCLSA-N 1 1 363.433 3.204 20 5 FGBDMO Cc1noc(CN2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c1[N+](=O)[O-] ZINC000595343555 507465295 /nfs/dbraw/zinc/46/52/95/507465295.db2.gz BIAQVPNGHHTZHK-AWEZNQCLSA-N 1 1 350.463 3.368 20 5 FGBDMO C[C@@H](C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000598510147 507466390 /nfs/dbraw/zinc/46/63/90/507466390.db2.gz NQVSFWHKBCRNTF-BEFAXECRSA-N 1 1 353.422 3.089 20 5 FGBDMO COc1cc(C[N@@H+]2CC(C)(C)CC[C@@H]2CO)c([N+](=O)[O-])cc1OC(F)F ZINC000598647927 507533008 /nfs/dbraw/zinc/53/30/08/507533008.db2.gz NIPDVNLKGJJYKD-GFCCVEGCSA-N 1 1 374.384 3.188 20 5 FGBDMO COc1cc(C[N@H+]2CC(C)(C)CC[C@@H]2CO)c([N+](=O)[O-])cc1OC(F)F ZINC000598647927 507533013 /nfs/dbraw/zinc/53/30/13/507533013.db2.gz NIPDVNLKGJJYKD-GFCCVEGCSA-N 1 1 374.384 3.188 20 5 FGBDMO CCCN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CC[N@@H+](C)C1 ZINC000592220538 507539414 /nfs/dbraw/zinc/53/94/14/507539414.db2.gz CMOBOKBGUSYRBH-GFCCVEGCSA-N 1 1 372.372 3.144 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000595525393 507545142 /nfs/dbraw/zinc/54/51/42/507545142.db2.gz RRLRBNNTPLVKIZ-UHFFFAOYSA-N 1 1 371.441 3.455 20 5 FGBDMO COc1cc(C[N@@H+](C2CC2)C2(CO)CCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000595543632 507552158 /nfs/dbraw/zinc/55/21/58/507552158.db2.gz ZRIPIQYZFCVZSE-UHFFFAOYSA-N 1 1 372.368 3.084 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@@H]1c1ccc(O)cc1)OCCO2 ZINC000611265423 507590458 /nfs/dbraw/zinc/59/04/58/507590458.db2.gz MJSRNEFRQWBPRB-MRXNPFEDSA-N 1 1 356.378 3.409 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1ccc(O)cc1)OCCO2 ZINC000611265423 507590464 /nfs/dbraw/zinc/59/04/64/507590464.db2.gz MJSRNEFRQWBPRB-MRXNPFEDSA-N 1 1 356.378 3.409 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCc2ccc(C)cc2C1 ZINC000595657044 507617800 /nfs/dbraw/zinc/61/78/00/507617800.db2.gz HQLCPCWBNQQCNP-UHFFFAOYSA-N 1 1 369.421 3.299 20 5 FGBDMO COc1ccc(CNC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000592376444 507626606 /nfs/dbraw/zinc/62/66/06/507626606.db2.gz OIVYLZDAIAIWKR-MSOLQXFVSA-N 1 1 355.438 3.038 20 5 FGBDMO O=C(CC[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000611350548 507636489 /nfs/dbraw/zinc/63/64/89/507636489.db2.gz QEVIUAZWHHZKGK-CVEARBPZSA-N 1 1 361.442 3.062 20 5 FGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)c1 ZINC000595748598 507662876 /nfs/dbraw/zinc/66/28/76/507662876.db2.gz XPYVWZWWILSXTI-FXAWDEMLSA-N 1 1 356.422 3.072 20 5 FGBDMO O=C(CC[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000595785370 507683041 /nfs/dbraw/zinc/68/30/41/507683041.db2.gz DYEQNPFVRJMLIB-QAPCUYQASA-N 1 1 361.442 3.205 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595790401 507687086 /nfs/dbraw/zinc/68/70/86/507687086.db2.gz PRFDNQMOOMTWKK-WBVHZDCISA-N 1 1 361.442 3.123 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595790401 507687106 /nfs/dbraw/zinc/68/71/06/507687106.db2.gz PRFDNQMOOMTWKK-WBVHZDCISA-N 1 1 361.442 3.123 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595790969 507688881 /nfs/dbraw/zinc/68/88/81/507688881.db2.gz RPYDLWLDPLVTNP-CRAIPNDOSA-N 1 1 361.442 3.123 20 5 FGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000587344517 507709683 /nfs/dbraw/zinc/70/96/83/507709683.db2.gz NHDQLJJZUBBVNE-VNHYZAJKSA-N 1 1 371.441 3.085 20 5 FGBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000595876282 507723071 /nfs/dbraw/zinc/72/30/71/507723071.db2.gz RLCRRZIQFKZTLL-SFHVURJKSA-N 1 1 368.437 3.011 20 5 FGBDMO C[C@@H]1C[C@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)CC[N@H+]1Cc1ccccc1 ZINC000587993380 507727469 /nfs/dbraw/zinc/72/74/69/507727469.db2.gz GZRAWWXZETVIKS-RHSMWYFYSA-N 1 1 370.453 3.134 20 5 FGBDMO COc1cccc([C@@H](CNCc2nc3cc([N+](=O)[O-])ccc3o2)[NH+](C)C)c1 ZINC000602505861 507730431 /nfs/dbraw/zinc/73/04/31/507730431.db2.gz WGAOPFXKDMLISS-QGZVFWFLSA-N 1 1 370.409 3.137 20 5 FGBDMO CC(=O)c1cc(N2CC[C@H](n3c[nH+]c4c3CCCC4)C2)ccc1[N+](=O)[O-] ZINC000588024750 507739146 /nfs/dbraw/zinc/73/91/46/507739146.db2.gz NUJGDRZWGZQMCP-HNNXBMFYSA-N 1 1 354.410 3.324 20 5 FGBDMO C[NH+](C)[C@H](C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1 ZINC000570442372 568476678 /nfs/dbraw/zinc/47/66/78/568476678.db2.gz KIHZOQACGYDGFQ-IBGZPJMESA-N 1 1 366.421 3.038 20 5 FGBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000820122070 606965251 /nfs/dbraw/zinc/96/52/51/606965251.db2.gz YVPVSAZBYKOUQV-UHFFFAOYSA-N 1 1 370.388 3.325 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+](CCO)C2CCCCC2)ccc1Br ZINC000129272783 700785746 /nfs/dbraw/zinc/78/57/46/700785746.db2.gz XKBPASTVTCQRTP-UHFFFAOYSA-N 1 1 357.248 3.484 20 5 FGBDMO C[N@H+](Cn1cc([N+](=O)[O-])cn1)CC1(c2ccc(Br)cc2)CC1 ZINC000151938792 704943366 /nfs/dbraw/zinc/94/33/66/704943366.db2.gz ZNYAIXATVXMNJY-UHFFFAOYSA-N 1 1 365.231 3.175 20 5 FGBDMO C[N@@H+](Cn1cc([N+](=O)[O-])cn1)CC1(c2ccc(Br)cc2)CC1 ZINC000151938792 704943369 /nfs/dbraw/zinc/94/33/69/704943369.db2.gz ZNYAIXATVXMNJY-UHFFFAOYSA-N 1 1 365.231 3.175 20 5 FGBDMO CC[N@@H+]1CCc2nc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])sc2C1 ZINC000175096682 705532570 /nfs/dbraw/zinc/53/25/70/705532570.db2.gz GYDRXXXWHKZLGD-UHFFFAOYSA-N 1 1 366.830 3.335 20 5 FGBDMO CC[N@H+]1CCc2nc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])sc2C1 ZINC000175096682 705532574 /nfs/dbraw/zinc/53/25/74/705532574.db2.gz GYDRXXXWHKZLGD-UHFFFAOYSA-N 1 1 366.830 3.335 20 5 FGBDMO O=[N+]([O-])c1cn(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)nc1-c1ccncc1 ZINC000176825751 705593031 /nfs/dbraw/zinc/59/30/31/705593031.db2.gz NYKQPKKNYQRMTG-GOEBONIOSA-N 1 1 359.455 3.171 20 5 FGBDMO O=[N+]([O-])c1cn(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)nc1-c1ccncc1 ZINC000176825751 705593034 /nfs/dbraw/zinc/59/30/34/705593034.db2.gz NYKQPKKNYQRMTG-GOEBONIOSA-N 1 1 359.455 3.171 20 5 FGBDMO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CCN(c2cnccn2)CC1 ZINC000373857396 713877799 /nfs/dbraw/zinc/87/77/99/713877799.db2.gz YBQULCLPWTZEOE-UHFFFAOYSA-N 1 1 361.833 3.139 20 5 FGBDMO C[C@@H]1C[C@@]1([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000503435483 714113452 /nfs/dbraw/zinc/11/34/52/714113452.db2.gz MLCLBDVUFQLQGM-ZMZPIMSZSA-N 1 1 359.813 3.372 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000524890250 714308410 /nfs/dbraw/zinc/30/84/10/714308410.db2.gz XQIUQOWNJZOCRO-DZKIICNBSA-N 1 1 365.499 3.407 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000525396416 714350376 /nfs/dbraw/zinc/35/03/76/714350376.db2.gz VAANHBMYYKYMFV-JSGCOSHPSA-N 1 1 353.850 3.122 20 5 FGBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000573052511 714449203 /nfs/dbraw/zinc/44/92/03/714449203.db2.gz FPOUVPJGYJIVGX-CYBMUJFWSA-N 1 1 370.881 3.210 20 5 FGBDMO COC1CC[NH+](CCNc2cc(C)c([N+](=O)[O-])cc2Br)CC1 ZINC000616060831 714566509 /nfs/dbraw/zinc/56/65/09/714566509.db2.gz ZWYHJTHSFUYBRU-UHFFFAOYSA-N 1 1 372.263 3.188 20 5 FGBDMO O=C(OCc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000803505292 724453837 /nfs/dbraw/zinc/45/38/37/724453837.db2.gz YQRCGEDPZUHXOX-INIZCTEOSA-N 1 1 354.353 3.323 20 5 FGBDMO Cc1ncc(CC[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000780767242 724499175 /nfs/dbraw/zinc/49/91/75/724499175.db2.gz KDSVNJFAAJUCOM-INIZCTEOSA-N 1 1 357.439 3.015 20 5 FGBDMO O=[N+]([O-])c1ccc(Cl)cc1NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000705673466 722411768 /nfs/dbraw/zinc/41/17/68/722411768.db2.gz QAKJNULGXNDCOH-SFHVURJKSA-N 1 1 361.829 3.297 20 5 FGBDMO O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1Cl ZINC000715599201 722416117 /nfs/dbraw/zinc/41/61/17/722416117.db2.gz TWBXOSRGIABKNN-AWEZNQCLSA-N 1 1 359.813 3.253 20 5 FGBDMO O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1Cl ZINC000715599201 722416119 /nfs/dbraw/zinc/41/61/19/722416119.db2.gz TWBXOSRGIABKNN-AWEZNQCLSA-N 1 1 359.813 3.253 20 5 FGBDMO Cc1ccc([C@@H](O)C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)o1 ZINC000741260202 722544004 /nfs/dbraw/zinc/54/40/04/722544004.db2.gz FUMALVDBTRYDNV-HNNXBMFYSA-N 1 1 359.407 3.443 20 5 FGBDMO CC[N@@H+](C)C[C@H]1CCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000743398542 722566907 /nfs/dbraw/zinc/56/69/07/722566907.db2.gz IYVYZBNRPCIYQP-GFCCVEGCSA-N 1 1 350.444 3.103 20 5 FGBDMO Cc1nn(C[N@H+]2CCSC3(CCCCC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000751137645 722795955 /nfs/dbraw/zinc/79/59/55/722795955.db2.gz GCCKQNSIQRQSQG-UHFFFAOYSA-N 1 1 361.471 3.357 20 5 FGBDMO C[N@@H+](C1CCCC1)C(C)(C)C(=O)OCCOc1cccc([N+](=O)[O-])c1 ZINC000754867921 722947260 /nfs/dbraw/zinc/94/72/60/722947260.db2.gz FSEWKVIJVGQJEI-UHFFFAOYSA-N 1 1 350.415 3.170 20 5 FGBDMO C[C@H]1CC[N@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)[C@H]1C ZINC000795437587 723591325 /nfs/dbraw/zinc/59/13/25/723591325.db2.gz MAYAGESLAMKVBH-UWVGGRQHSA-N 1 1 368.231 3.001 20 5 FGBDMO C[C@H]1CC[N@@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)[C@H]1C ZINC000795437587 723591327 /nfs/dbraw/zinc/59/13/27/723591327.db2.gz MAYAGESLAMKVBH-UWVGGRQHSA-N 1 1 368.231 3.001 20 5 FGBDMO Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2Cc2cc(Cl)ccc2[N+](=O)[O-])cn1 ZINC000766962034 723601771 /nfs/dbraw/zinc/60/17/71/723601771.db2.gz QHZVFJUQJNXWEB-NVXWUHKLSA-N 1 1 364.833 3.070 20 5 FGBDMO Cc1[nH+]ccn1CCCOC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000767616795 723625660 /nfs/dbraw/zinc/62/56/60/723625660.db2.gz BPLKFEVLZMFTCM-LLVKDONJSA-N 1 1 367.789 3.154 20 5 FGBDMO Cc1noc(C)c1[C@H](C)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000775616441 724011083 /nfs/dbraw/zinc/01/10/83/724011083.db2.gz AXRKRHWSUDIDDE-QMMMGPOBSA-N 1 1 352.778 3.142 20 5 FGBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+](Cc2cccs2)C[C@H]2CCCO2)cc1 ZINC000776270252 724126398 /nfs/dbraw/zinc/12/63/98/724126398.db2.gz BEVBYOWNAICSBB-SJLPKXTDSA-N 1 1 362.451 3.371 20 5 FGBDMO C[N@@H+](CCOc1ccc(Cl)cc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776272159 724126962 /nfs/dbraw/zinc/12/69/62/724126962.db2.gz QTQJCZBOZKFWRR-KRWDZBQOSA-N 1 1 350.802 3.292 20 5 FGBDMO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000776275264 724127446 /nfs/dbraw/zinc/12/74/46/724127446.db2.gz GMFYGOUMUJHNRY-GOSISDBHSA-N 1 1 361.829 3.104 20 5 FGBDMO CC(C)C[C@]1(CO)CCC[N@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000789502921 725132495 /nfs/dbraw/zinc/13/24/95/725132495.db2.gz HVLHJMAKGLCOSQ-KRWDZBQOSA-N 1 1 369.849 3.060 20 5 FGBDMO CCC[C@@]1(CO)CC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000809790774 725268980 /nfs/dbraw/zinc/26/89/80/725268980.db2.gz NXZDIMUIYYUWRJ-OAHLLOKOSA-N 1 1 357.248 3.342 20 5 FGBDMO CCC[C@@]1(CO)CC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000809790774 725268982 /nfs/dbraw/zinc/26/89/82/725268982.db2.gz NXZDIMUIYYUWRJ-OAHLLOKOSA-N 1 1 357.248 3.342 20 5 FGBDMO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CN1 ZINC000809968627 725279476 /nfs/dbraw/zinc/27/94/76/725279476.db2.gz DHNDRPPZSJWRFA-YGRLFVJLSA-N 1 1 372.252 3.392 20 5 FGBDMO O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CN1 ZINC000809968627 725279478 /nfs/dbraw/zinc/27/94/78/725279478.db2.gz DHNDRPPZSJWRFA-YGRLFVJLSA-N 1 1 372.252 3.392 20 5 FGBDMO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@@H]1C ZINC000813116684 726840634 /nfs/dbraw/zinc/84/06/34/726840634.db2.gz LZEKLVQHILDDEH-UWVGGRQHSA-N 1 1 360.241 3.456 20 5 FGBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@@H]1C ZINC000813116684 726840638 /nfs/dbraw/zinc/84/06/38/726840638.db2.gz LZEKLVQHILDDEH-UWVGGRQHSA-N 1 1 360.241 3.456 20 5 FGBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@@H]1CCC(F)(F)C1 ZINC000813171532 726846219 /nfs/dbraw/zinc/84/62/19/726846219.db2.gz XZNJFBHGBKWQTR-HIFRSBDPSA-N 1 1 354.353 3.148 20 5 FGBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@@H]1CCC(F)(F)C1 ZINC000813171532 726846224 /nfs/dbraw/zinc/84/62/24/726846224.db2.gz XZNJFBHGBKWQTR-HIFRSBDPSA-N 1 1 354.353 3.148 20 5 FGBDMO O=C(/C=C/c1ccsc1)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813174458 726846507 /nfs/dbraw/zinc/84/65/07/726846507.db2.gz TZFCRBLISFNNLS-BDUNBXCCSA-N 1 1 358.419 3.487 20 5 FGBDMO O=C(/C=C/c1ccsc1)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813174458 726846509 /nfs/dbraw/zinc/84/65/09/726846509.db2.gz TZFCRBLISFNNLS-BDUNBXCCSA-N 1 1 358.419 3.487 20 5 FGBDMO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000816952643 727209430 /nfs/dbraw/zinc/20/94/30/727209430.db2.gz OQCLZBRHBSLUTO-SWLSCSKDSA-N 1 1 363.845 3.337 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c1F ZINC000822059971 729143509 /nfs/dbraw/zinc/14/35/09/729143509.db2.gz XQHBJICCIPZDND-ZYHUDNBSSA-N 1 1 355.385 3.032 20 5 FGBDMO C[N@H+](Cc1ccccc1)C[C@@H](O)COc1cccc(Cl)c1[N+](=O)[O-] ZINC000834379356 729798425 /nfs/dbraw/zinc/79/84/25/729798425.db2.gz ZPZABQDRXPBCCK-CQSZACIVSA-N 1 1 350.802 3.120 20 5 FGBDMO COc1cc(C(=O)OC[C@@H]2CCCC[N@H+]2C(C)C)c([N+](=O)[O-])cc1F ZINC000838055708 730086521 /nfs/dbraw/zinc/08/65/21/730086521.db2.gz XXANAKZQOBOFNM-LBPRGKRZSA-N 1 1 354.378 3.162 20 5 FGBDMO C[N@H+]1CCC[C@H](CCNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000838150368 730094432 /nfs/dbraw/zinc/09/44/32/730094432.db2.gz SZIVNMKSUVARBP-SNVBAGLBSA-N 1 1 360.241 3.363 20 5 FGBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000843781910 730654176 /nfs/dbraw/zinc/65/41/76/730654176.db2.gz LJDOGERVEYPNAI-CQSZACIVSA-N 1 1 351.422 3.427 20 5 FGBDMO CC(C)C[N@@H+](C)CCCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000844654609 730746644 /nfs/dbraw/zinc/74/66/44/730746644.db2.gz KHMFTWLXBJWMKI-UHFFFAOYSA-N 1 1 359.829 3.024 20 5 FGBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000857334000 732121948 /nfs/dbraw/zinc/12/19/48/732121948.db2.gz GJBQZXSRMHAHMP-UHFFFAOYSA-N 1 1 372.263 3.208 20 5 FGBDMO C[C@H]1C[NH+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H](C)C1(F)F ZINC000863275152 732937586 /nfs/dbraw/zinc/93/75/86/732937586.db2.gz PZXKXAXVNWFRQZ-RYUDHWBXSA-N 1 1 351.357 3.034 20 5 FGBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCN(C(C)(C)C)C1=O ZINC000872081443 735586309 /nfs/dbraw/zinc/58/63/09/735586309.db2.gz HBUHLYQJGVZHHM-FZMZJTMJSA-N 1 1 351.472 3.367 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879558091 737005982 /nfs/dbraw/zinc/00/59/82/737005982.db2.gz GZSCLKFKYOIWMY-GRYCIOLGSA-N 1 1 369.874 3.260 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879558091 737005985 /nfs/dbraw/zinc/00/59/85/737005985.db2.gz GZSCLKFKYOIWMY-GRYCIOLGSA-N 1 1 369.874 3.260 20 5 FGBDMO Cc1csc([C@@H]2CC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000880006959 737097368 /nfs/dbraw/zinc/09/73/68/737097368.db2.gz AEVMHQCKGKTVMM-CYBMUJFWSA-N 1 1 360.439 3.178 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@H](c3nc(C)cs3)C2)c([N+](=O)[O-])cc1F ZINC000880008319 737098480 /nfs/dbraw/zinc/09/84/80/737098480.db2.gz BSGQYKMCDJDVRE-LLVKDONJSA-N 1 1 351.403 3.497 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[N@H+](C1CC1)[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000891622737 739921800 /nfs/dbraw/zinc/92/18/00/739921800.db2.gz JFMBYEHGLXPWEP-NVXWUHKLSA-N 1 1 350.390 3.193 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[N@@H+](C1CC1)[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000891622737 739921801 /nfs/dbraw/zinc/92/18/01/739921801.db2.gz JFMBYEHGLXPWEP-NVXWUHKLSA-N 1 1 350.390 3.193 20 5 FGBDMO COc1c(O)ccc(C[N@H+]2CC[C@@H](Cc3nc(C)cs3)C2)c1[N+](=O)[O-] ZINC000897301524 742666267 /nfs/dbraw/zinc/66/62/67/742666267.db2.gz LQROLEYKDUEXJI-LBPRGKRZSA-N 1 1 363.439 3.139 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@H](Cc3nccs3)C2)c([N+](=O)[O-])cc1OC ZINC000898071719 742741709 /nfs/dbraw/zinc/74/17/09/742741709.db2.gz QKQIMMPAIIPEKV-LBPRGKRZSA-N 1 1 363.439 3.133 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000900802468 743170809 /nfs/dbraw/zinc/17/08/09/743170809.db2.gz VDAXOHGINNYGNQ-CMPLNLGQSA-N 1 1 357.813 3.332 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCC[C@@H]1CCCC[N@H+]1C ZINC000924159772 759283068 /nfs/dbraw/zinc/28/30/68/759283068.db2.gz RANXGSOKYAXOCA-KBPBESRZSA-N 1 1 352.456 3.493 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](c3nccc(C(F)(F)F)n3)C2)cs1 ZINC000933712964 761461227 /nfs/dbraw/zinc/46/12/27/761461227.db2.gz WJSVOUHTYURJJU-JTQLQIEISA-N 1 1 358.345 3.455 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](c3nccc(C(F)(F)F)n3)C2)cs1 ZINC000933712964 761461230 /nfs/dbraw/zinc/46/12/30/761461230.db2.gz WJSVOUHTYURJJU-JTQLQIEISA-N 1 1 358.345 3.455 20 5 FGBDMO Cc1cc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000018185839 211193382 /nfs/dbraw/zinc/19/33/82/211193382.db2.gz OCCXZMMPUINDHS-QGZVFWFLSA-N 1 1 357.410 3.453 20 5 FGBDMO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000122519534 257352068 /nfs/dbraw/zinc/35/20/68/257352068.db2.gz KCJLRZFESPAQIN-AWEZNQCLSA-N 1 1 353.850 3.232 20 5 FGBDMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000122519534 257352069 /nfs/dbraw/zinc/35/20/69/257352069.db2.gz KCJLRZFESPAQIN-AWEZNQCLSA-N 1 1 353.850 3.232 20 5 FGBDMO COC[C@@H]1CC[N@H+]1Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000568006031 505594668 /nfs/dbraw/zinc/59/46/68/505594668.db2.gz NPRNNYKDKPEKDA-SFHVURJKSA-N 1 1 372.421 3.403 20 5 FGBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000573844667 505633837 /nfs/dbraw/zinc/63/38/37/505633837.db2.gz BOIDBNHHWHTXOO-DYVFJYSZSA-N 1 1 360.483 3.490 20 5 FGBDMO CC[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[N@@H+](C)Cc1ccccc1 ZINC000574006402 505671608 /nfs/dbraw/zinc/67/16/08/505671608.db2.gz OLZQSLSGELIAQL-HXUWFJFHSA-N 1 1 367.449 3.390 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000580114198 505679964 /nfs/dbraw/zinc/67/99/64/505679964.db2.gz MHAJPUHSHAPRDX-HNAYVOBHSA-N 1 1 353.422 3.296 20 5 FGBDMO CC(C)[C@@H](c1ccccc1Cl)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075742906 493774206 /nfs/dbraw/zinc/77/42/06/493774206.db2.gz DIKVAYHIEHFEHE-YOEHRIQHSA-N 1 1 366.849 3.135 20 5 FGBDMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000028281391 493784087 /nfs/dbraw/zinc/78/40/87/493784087.db2.gz SUTDRECCPWNJGY-GOSISDBHSA-N 1 1 369.396 3.460 20 5 FGBDMO O=C(C[N@H+]1CCC[C@@H]1c1ccc(F)cc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000028281391 493784090 /nfs/dbraw/zinc/78/40/90/493784090.db2.gz SUTDRECCPWNJGY-GOSISDBHSA-N 1 1 369.396 3.460 20 5 FGBDMO Cc1cc(N2CCC([N@@H+](C)Cc3ccccc3[N+](=O)[O-])CC2)nc(C)n1 ZINC000080968055 493803684 /nfs/dbraw/zinc/80/36/84/493803684.db2.gz HQVRCQNATFTERJ-UHFFFAOYSA-N 1 1 355.442 3.102 20 5 FGBDMO C[N@@H+](CCCNC(=O)CSc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000029177201 493822987 /nfs/dbraw/zinc/82/29/87/493822987.db2.gz SJVMEMVVKUYXLN-UHFFFAOYSA-N 1 1 365.499 3.458 20 5 FGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CCCOc1ccccc1 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SAFZHYCKKACRED-CYBMUJFWSA-N 1 1 374.407 3.299 20 5 FGBDMO Cc1cccc(C)c1NC(=O)C[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000051500118 493972617 /nfs/dbraw/zinc/97/26/17/493972617.db2.gz OFSNHHMXVADDHG-UHFFFAOYSA-N 1 1 357.410 3.161 20 5 FGBDMO Cc1cccc(C)c1NC(=O)C[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000051500118 493972620 /nfs/dbraw/zinc/97/26/20/493972620.db2.gz OFSNHHMXVADDHG-UHFFFAOYSA-N 1 1 357.410 3.161 20 5 FGBDMO Cc1c(C[N@@H+](C)Cc2ccccc2N2CCOCC2)cccc1[N+](=O)[O-] ZINC000051500872 493973540 /nfs/dbraw/zinc/97/35/40/493973540.db2.gz FFPFEMJAJDEIKY-UHFFFAOYSA-N 1 1 355.438 3.372 20 5 FGBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000076925964 493990677 /nfs/dbraw/zinc/99/06/77/493990677.db2.gz KNPSKPRCQCVWOB-CHWSQXEVSA-N 1 1 362.455 3.033 20 5 FGBDMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000051855268 493991130 /nfs/dbraw/zinc/99/11/30/493991130.db2.gz UNUSMHWZDBFSJK-HNNXBMFYSA-N 1 1 367.409 3.247 20 5 FGBDMO CCOc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000007419834 494021141 /nfs/dbraw/zinc/02/11/41/494021141.db2.gz RPPHXKAXSONLEZ-AWEZNQCLSA-N 1 1 357.410 3.453 20 5 FGBDMO CCOc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000007419834 494021143 /nfs/dbraw/zinc/02/11/43/494021143.db2.gz RPPHXKAXSONLEZ-AWEZNQCLSA-N 1 1 357.410 3.453 20 5 FGBDMO CCc1ccc(C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000007790879 494043101 /nfs/dbraw/zinc/04/31/01/494043101.db2.gz ZXJBWKUYHUCSNM-UHFFFAOYSA-N 1 1 357.410 3.236 20 5 FGBDMO CCc1ccc(C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000007790879 494043105 /nfs/dbraw/zinc/04/31/05/494043105.db2.gz ZXJBWKUYHUCSNM-UHFFFAOYSA-N 1 1 357.410 3.236 20 5 FGBDMO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000052829566 494065467 /nfs/dbraw/zinc/06/54/67/494065467.db2.gz LKYOXDDCUMTSLB-CQSZACIVSA-N 1 1 374.828 3.494 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1ccc(F)cc1F ZINC000008241811 494078655 /nfs/dbraw/zinc/07/86/55/494078655.db2.gz YVJKCTLNOQOFDU-SNVBAGLBSA-N 1 1 365.336 3.171 20 5 FGBDMO Cc1ccccc1C[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000071807725 494102079 /nfs/dbraw/zinc/10/20/79/494102079.db2.gz AGPDKEZRZUSFNO-UHFFFAOYSA-N 1 1 354.410 3.253 20 5 FGBDMO CCN1CC[NH+](Cc2ccc(CNc3ccc([N+](=O)[O-])cc3F)cc2)CC1 ZINC000071954632 494110876 /nfs/dbraw/zinc/11/08/76/494110876.db2.gz WEJBAAIUJQZYNV-UHFFFAOYSA-N 1 1 372.444 3.484 20 5 FGBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1csc([N+](=O)[O-])c1 ZINC000064521349 494130820 /nfs/dbraw/zinc/13/08/20/494130820.db2.gz ZJABZCQZZOGQEE-GFCCVEGCSA-N 1 1 365.480 3.360 20 5 FGBDMO CNC(=O)c1ccc(NCc2ccccc2C[N@@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000053571931 494148116 /nfs/dbraw/zinc/14/81/16/494148116.db2.gz TXXMONWXWPCOTM-UHFFFAOYSA-N 1 1 370.453 3.407 20 5 FGBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000087062016 494168607 /nfs/dbraw/zinc/16/86/07/494168607.db2.gz BHVKHYBJORWVRL-HNNXBMFYSA-N 1 1 374.485 3.173 20 5 FGBDMO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000042184070 494207909 /nfs/dbraw/zinc/20/79/09/494207909.db2.gz QXWYMXAWNKMTNX-QWHCGFSZSA-N 1 1 373.409 3.290 20 5 FGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000054281566 494215298 /nfs/dbraw/zinc/21/52/98/494215298.db2.gz FYGKKOCEDWYMDY-OAHLLOKOSA-N 1 1 373.478 3.324 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CCOC3(CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000072716730 494238488 /nfs/dbraw/zinc/23/84/88/494238488.db2.gz CWNQDWDRMQZYFU-UHFFFAOYSA-N 1 1 361.442 3.267 20 5 FGBDMO COCC[N@H+](Cc1ccccc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000015452389 494356064 /nfs/dbraw/zinc/35/60/64/494356064.db2.gz ATXKMGMKKMKWRN-UHFFFAOYSA-N 1 1 358.394 3.110 20 5 FGBDMO COCC[N@@H+](Cc1ccccc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000015452389 494356065 /nfs/dbraw/zinc/35/60/65/494356065.db2.gz ATXKMGMKKMKWRN-UHFFFAOYSA-N 1 1 358.394 3.110 20 5 FGBDMO C[C@@H](CCc1ccccc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000055903044 494424697 /nfs/dbraw/zinc/42/46/97/494424697.db2.gz JOMNRXZPMXFUTO-HNNXBMFYSA-N 1 1 373.478 3.435 20 5 FGBDMO O=C(C[N@H+]1CCC[C@@H]1[C@H]1CCCOC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000571400809 505725115 /nfs/dbraw/zinc/72/51/15/505725115.db2.gz YXZIHQCPZMQTHY-SWLSCSKDSA-N 1 1 367.833 3.078 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2cccc([N+](=O)[O-])c2C)cn1 ZINC000056546408 494524056 /nfs/dbraw/zinc/52/40/56/494524056.db2.gz ZSPRNONONFDAPO-UHFFFAOYSA-N 1 1 366.381 3.114 20 5 FGBDMO C[N@H+](Cc1ccc(Cl)cc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000046701776 494555148 /nfs/dbraw/zinc/55/51/48/494555148.db2.gz JRABHUWMIOQNCL-MRXNPFEDSA-N 1 1 350.802 3.120 20 5 FGBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000067753661 494633901 /nfs/dbraw/zinc/63/39/01/494633901.db2.gz RGOXAZSNTBOCJT-HOCLYGCPSA-N 1 1 369.421 3.169 20 5 FGBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000080203156 494637844 /nfs/dbraw/zinc/63/78/44/494637844.db2.gz GJQIEQLSTYDQLH-GFCCVEGCSA-N 1 1 359.348 3.218 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000080464279 494710808 /nfs/dbraw/zinc/71/08/08/494710808.db2.gz VXWLZPLVGAFYDU-AWEZNQCLSA-N 1 1 363.483 3.121 20 5 FGBDMO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000092704599 494716324 /nfs/dbraw/zinc/71/63/24/494716324.db2.gz NHOCKONOXCJCDF-KRWDZBQOSA-N 1 1 372.400 3.438 20 5 FGBDMO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000092704599 494716329 /nfs/dbraw/zinc/71/63/29/494716329.db2.gz NHOCKONOXCJCDF-KRWDZBQOSA-N 1 1 372.400 3.438 20 5 FGBDMO Cc1cc(C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000025633742 494764113 /nfs/dbraw/zinc/76/41/13/494764113.db2.gz VVABOFAARRLOCK-OAHLLOKOSA-N 1 1 353.422 3.080 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000131893116 494765702 /nfs/dbraw/zinc/76/57/02/494765702.db2.gz XGXWVNHUCWUINT-INIZCTEOSA-N 1 1 353.422 3.331 20 5 FGBDMO COc1cc(C[N@H+](C)CCOc2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000121474367 494773063 /nfs/dbraw/zinc/77/30/63/494773063.db2.gz MDNBPGNQNQEGIX-UHFFFAOYSA-N 1 1 364.373 3.262 20 5 FGBDMO COc1cc(C[N@@H+](C)CCOc2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000121474367 494773070 /nfs/dbraw/zinc/77/30/70/494773070.db2.gz MDNBPGNQNQEGIX-UHFFFAOYSA-N 1 1 364.373 3.262 20 5 FGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000080718540 494776594 /nfs/dbraw/zinc/77/65/94/494776594.db2.gz WRFXPSBOZCNHPL-WPXLMEDKSA-N 1 1 363.483 3.207 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000132162553 494832161 /nfs/dbraw/zinc/83/21/61/494832161.db2.gz AXKGTAMQFVKCSJ-IRXDYDNUSA-N 1 1 369.421 3.315 20 5 FGBDMO CC(C)[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)Cc1cccnc1 ZINC000093223611 494846306 /nfs/dbraw/zinc/84/63/06/494846306.db2.gz KQYHXJFNFKBBRT-UHFFFAOYSA-N 1 1 370.409 3.198 20 5 FGBDMO CC(C)[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000026940351 494846465 /nfs/dbraw/zinc/84/64/65/494846465.db2.gz XIXGIJHLVIYYDE-UHFFFAOYSA-N 1 1 356.220 3.169 20 5 FGBDMO CCOCCC[N@H+]1CC[C@H](Nc2c(F)cc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000121733485 494847161 /nfs/dbraw/zinc/84/71/61/494847161.db2.gz KXZWUDDLJVKFDY-WBMJQRKESA-N 1 1 357.401 3.422 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@H+](C)Cc2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] ZINC000027227805 494857876 /nfs/dbraw/zinc/85/78/76/494857876.db2.gz CEIQCUFDIPBXGQ-ZDUSSCGKSA-N 1 1 371.393 3.091 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] ZINC000027227805 494857880 /nfs/dbraw/zinc/85/78/80/494857880.db2.gz CEIQCUFDIPBXGQ-ZDUSSCGKSA-N 1 1 371.393 3.091 20 5 FGBDMO O=C(C[N@H+](Cc1ccc(F)cc1)C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000027368227 494864748 /nfs/dbraw/zinc/86/47/48/494864748.db2.gz YMYWYCWIKCCEAJ-UHFFFAOYSA-N 1 1 369.396 3.288 20 5 FGBDMO O=C(C[N@@H+](Cc1ccc(F)cc1)C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000027368227 494864754 /nfs/dbraw/zinc/86/47/54/494864754.db2.gz YMYWYCWIKCCEAJ-UHFFFAOYSA-N 1 1 369.396 3.288 20 5 FGBDMO Cn1cc[nH+]c1CC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000121914879 494888721 /nfs/dbraw/zinc/88/87/21/494888721.db2.gz RTFKSZSEPDNSNV-UHFFFAOYSA-N 1 1 362.817 3.077 20 5 FGBDMO C[C@@]1(c2ccccc2)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000121936662 494894555 /nfs/dbraw/zinc/89/45/55/494894555.db2.gz ICPYYXGGIRQGJH-FQEVSTJZSA-N 1 1 369.421 3.171 20 5 FGBDMO C[C@@]1(c2ccccc2)C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000121936662 494894558 /nfs/dbraw/zinc/89/45/58/494894558.db2.gz ICPYYXGGIRQGJH-FQEVSTJZSA-N 1 1 369.421 3.171 20 5 FGBDMO COCC[N@@H+](C)Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000127177593 494905479 /nfs/dbraw/zinc/90/54/79/494905479.db2.gz QGMSYAMRRWQDKG-UHFFFAOYSA-N 1 1 360.410 3.261 20 5 FGBDMO COc1ccc(-c2ccc(C[N@@H+]3CCOC[C@@H]3C3CC3)o2)c([N+](=O)[O-])c1 ZINC000093645570 494907431 /nfs/dbraw/zinc/90/74/31/494907431.db2.gz HCNHWRSWAYZPEY-GOSISDBHSA-N 1 1 358.394 3.474 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+]3CCOC[C@@H]3C3CC3)o2)c([N+](=O)[O-])c1 ZINC000093645570 494907433 /nfs/dbraw/zinc/90/74/33/494907433.db2.gz HCNHWRSWAYZPEY-GOSISDBHSA-N 1 1 358.394 3.474 20 5 FGBDMO NC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000093808801 494922267 /nfs/dbraw/zinc/92/22/67/494922267.db2.gz MXVFLFKGLBADSP-ZDUSSCGKSA-N 1 1 359.451 3.411 20 5 FGBDMO O=C(c1ccc(O)cc1)C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000122253922 494947649 /nfs/dbraw/zinc/94/76/49/494947649.db2.gz HLDOIYYHHDVNNF-UHFFFAOYSA-N 1 1 370.405 3.274 20 5 FGBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000132966263 494950029 /nfs/dbraw/zinc/95/00/29/494950029.db2.gz KAWCJEPEEXUFEF-NSHDSACASA-N 1 1 359.348 3.027 20 5 FGBDMO CC(C)CCSc1ccc(C(=O)NC[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000110651597 494998164 /nfs/dbraw/zinc/99/81/64/494998164.db2.gz GHIHIGZSOXGCGW-CQSZACIVSA-N 1 1 365.499 3.415 20 5 FGBDMO C[N@H+](Cc1ccccc1)CC(C)(C)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000119009539 495069771 /nfs/dbraw/zinc/06/97/71/495069771.db2.gz DACVZTHHSABUAU-UHFFFAOYSA-N 1 1 370.453 3.034 20 5 FGBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000119009539 495069773 /nfs/dbraw/zinc/06/97/73/495069773.db2.gz DACVZTHHSABUAU-UHFFFAOYSA-N 1 1 370.453 3.034 20 5 FGBDMO CC[N@H+]1CC[C@H](CNCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000102423176 495136220 /nfs/dbraw/zinc/13/62/20/495136220.db2.gz NXPQCTFWEQBPFY-CQSZACIVSA-N 1 1 359.426 3.295 20 5 FGBDMO CCc1cnc(C[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)s1 ZINC000128808762 495152938 /nfs/dbraw/zinc/15/29/38/495152938.db2.gz SCPLXHSHQWISSZ-UHFFFAOYSA-N 1 1 366.418 3.213 20 5 FGBDMO CCc1cnc(C[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)s1 ZINC000128808762 495152941 /nfs/dbraw/zinc/15/29/41/495152941.db2.gz SCPLXHSHQWISSZ-UHFFFAOYSA-N 1 1 366.418 3.213 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)CCc1ccccn1 ZINC000123689201 495171420 /nfs/dbraw/zinc/17/14/20/495171420.db2.gz GAROZEDHZAEIEV-CYBMUJFWSA-N 1 1 353.382 3.275 20 5 FGBDMO O=[N+]([O-])c1cccc(Cl)c1C[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000119578279 495194633 /nfs/dbraw/zinc/19/46/33/495194633.db2.gz KXAFDCKPKWYGJI-CYBMUJFWSA-N 1 1 354.834 3.266 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCOc3ccc(Cl)cc3)C2)nc1 ZINC000112654986 495217356 /nfs/dbraw/zinc/21/73/56/495217356.db2.gz ACIRDHAVQVKRGZ-AWEZNQCLSA-N 1 1 362.817 3.208 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000119890542 495263096 /nfs/dbraw/zinc/26/30/96/495263096.db2.gz IRCIMLDSJTUDGL-OKILXGFUSA-N 1 1 358.442 3.174 20 5 FGBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000124312732 495268397 /nfs/dbraw/zinc/26/83/97/495268397.db2.gz LBHLKIHOWLEPMU-MRXNPFEDSA-N 1 1 369.421 3.107 20 5 FGBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@H](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000124312732 495268400 /nfs/dbraw/zinc/26/84/00/495268400.db2.gz LBHLKIHOWLEPMU-MRXNPFEDSA-N 1 1 369.421 3.107 20 5 FGBDMO C[C@@H](C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000104874711 495312219 /nfs/dbraw/zinc/31/22/19/495312219.db2.gz XWULIFDNCSIUOT-XQQFMLRXSA-N 1 1 357.414 3.185 20 5 FGBDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000114459800 495376981 /nfs/dbraw/zinc/37/69/81/495376981.db2.gz LGHZZTBLFCEMCK-IRXDYDNUSA-N 1 1 359.426 3.418 20 5 FGBDMO CCO[C@H]1C[C@H]([N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1(C)C ZINC000120488762 495390027 /nfs/dbraw/zinc/39/00/27/495390027.db2.gz GKPKLODESFYXGL-GJZGRUSLSA-N 1 1 360.414 3.280 20 5 FGBDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1(C)C ZINC000120488762 495390030 /nfs/dbraw/zinc/39/00/30/495390030.db2.gz GKPKLODESFYXGL-GJZGRUSLSA-N 1 1 360.414 3.280 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000139598054 495480234 /nfs/dbraw/zinc/48/02/34/495480234.db2.gz NXAWUIPIYIQCQT-CZUORRHYSA-N 1 1 363.845 3.337 20 5 FGBDMO CCN(C(=O)Nc1ccncc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000158603763 495548379 /nfs/dbraw/zinc/54/83/79/495548379.db2.gz KYQPVQWWOXFMDB-MRXNPFEDSA-N 1 1 369.425 3.118 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000173520803 495571148 /nfs/dbraw/zinc/57/11/48/495571148.db2.gz QPYQAHWIBHAKJO-GOSISDBHSA-N 1 1 367.449 3.198 20 5 FGBDMO Cc1cc(C(=O)NC2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)c(C)o1 ZINC000170777219 495600734 /nfs/dbraw/zinc/60/07/34/495600734.db2.gz WYOSVNWMRQZJPI-UHFFFAOYSA-N 1 1 357.410 3.199 20 5 FGBDMO COc1ccc(OCC[N@H+]2CCC[C@H](c3nccs3)C2)c([N+](=O)[O-])c1 ZINC000173603221 495609970 /nfs/dbraw/zinc/60/99/70/495609970.db2.gz QIOKAJIZGYEUTC-ZDUSSCGKSA-N 1 1 363.439 3.318 20 5 FGBDMO O=C(NC1CC1)[C@@H]1CCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000179489101 495612468 /nfs/dbraw/zinc/61/24/68/495612468.db2.gz OOPZBTOYEFFQTJ-KRWDZBQOSA-N 1 1 355.394 3.098 20 5 FGBDMO O=C(NC1CC1)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000179489101 495612473 /nfs/dbraw/zinc/61/24/73/495612473.db2.gz OOPZBTOYEFFQTJ-KRWDZBQOSA-N 1 1 355.394 3.098 20 5 FGBDMO C[C@@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182554425 495612549 /nfs/dbraw/zinc/61/25/49/495612549.db2.gz JGQRZIWMLJQRHJ-WBVHZDCISA-N 1 1 374.485 3.090 20 5 FGBDMO COc1ccc(C[N@H+]2CCC[C@H](c3nncn3C(C)C)C2)cc1[N+](=O)[O-] ZINC000158983020 495630029 /nfs/dbraw/zinc/63/00/29/495630029.db2.gz IXSZZPSUHSAHON-HNNXBMFYSA-N 1 1 359.430 3.155 20 5 FGBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H](c2nccs2)c2ccccc2)c1 ZINC000154502354 495636302 /nfs/dbraw/zinc/63/63/02/495636302.db2.gz QERPZPDIWLKTPD-IAGOWNOFSA-N 1 1 355.419 3.464 20 5 FGBDMO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000179573375 495645506 /nfs/dbraw/zinc/64/55/06/495645506.db2.gz QOZRKNHOPZQVAO-UHFFFAOYSA-N 1 1 359.401 3.181 20 5 FGBDMO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000179573375 495645507 /nfs/dbraw/zinc/64/55/07/495645507.db2.gz QOZRKNHOPZQVAO-UHFFFAOYSA-N 1 1 359.401 3.181 20 5 FGBDMO CCOC(=O)CC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000159107007 495660761 /nfs/dbraw/zinc/66/07/61/495660761.db2.gz HZWMRSUTDZUEMI-UHFFFAOYSA-N 1 1 372.368 3.361 20 5 FGBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182834899 495720954 /nfs/dbraw/zinc/72/09/54/495720954.db2.gz OIVTYFCVDNSXKG-YPMHNXCESA-N 1 1 371.890 3.139 20 5 FGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000154898659 495766090 /nfs/dbraw/zinc/76/60/90/495766090.db2.gz WZXIHTDHQRVXIX-RDJZCZTQSA-N 1 1 368.437 3.498 20 5 FGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000154898659 495766095 /nfs/dbraw/zinc/76/60/95/495766095.db2.gz WZXIHTDHQRVXIX-RDJZCZTQSA-N 1 1 368.437 3.498 20 5 FGBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CC[C@@H]21 ZINC000151195853 495767937 /nfs/dbraw/zinc/76/79/37/495767937.db2.gz CPCQONNBPNESIQ-ABAIWWIYSA-N 1 1 371.359 3.170 20 5 FGBDMO C[N@@H+](CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)Cc1ccc(F)cc1 ZINC000176814268 495796185 /nfs/dbraw/zinc/79/61/85/495796185.db2.gz XNCBQOVAFOURJM-UHFFFAOYSA-N 1 1 372.400 3.163 20 5 FGBDMO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1nc(Cc2ccccc2)no1 ZINC000174074127 495810551 /nfs/dbraw/zinc/81/05/51/495810551.db2.gz XDFBHQRYVDVQEU-AWEZNQCLSA-N 1 1 368.393 3.298 20 5 FGBDMO C[S@](=O)C[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000183106193 495837037 /nfs/dbraw/zinc/83/70/37/495837037.db2.gz SLMUPZGUBSNVDT-WNSKOXEYSA-N 1 1 352.843 3.458 20 5 FGBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000174190603 495857384 /nfs/dbraw/zinc/85/73/84/495857384.db2.gz ZVQBCSXTKHPBNN-QGZVFWFLSA-N 1 1 360.458 3.001 20 5 FGBDMO Cc1ccc(NC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000151546562 495874030 /nfs/dbraw/zinc/87/40/30/495874030.db2.gz NSUZKWUBFFUMNT-GOSISDBHSA-N 1 1 369.421 3.133 20 5 FGBDMO Cc1ccc(NC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000151546562 495874035 /nfs/dbraw/zinc/87/40/35/495874035.db2.gz NSUZKWUBFFUMNT-GOSISDBHSA-N 1 1 369.421 3.133 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000183244639 495895460 /nfs/dbraw/zinc/89/54/60/495895460.db2.gz APXLKPXTWXGLPT-UHFFFAOYSA-N 1 1 366.421 3.383 20 5 FGBDMO Cc1c(CC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000160176004 495902151 /nfs/dbraw/zinc/90/21/51/495902151.db2.gz SLOQNONLTTWIHI-UHFFFAOYSA-N 1 1 367.449 3.180 20 5 FGBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000151872960 495977373 /nfs/dbraw/zinc/97/73/73/495977373.db2.gz REAOORVXGYQTEH-KRWDZBQOSA-N 1 1 374.485 3.389 20 5 FGBDMO Cc1ccc(C(=O)CC[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000160581155 495995649 /nfs/dbraw/zinc/99/56/49/495995649.db2.gz LBSJTALROPFCNN-MRXNPFEDSA-N 1 1 354.410 3.057 20 5 FGBDMO Cc1c(Br)c(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ncc1[N+](=O)[O-] ZINC000577918320 505817497 /nfs/dbraw/zinc/81/74/97/505817497.db2.gz OWHWGQSZVVRKRW-SCZZXKLOSA-N 1 1 355.236 3.098 20 5 FGBDMO Cc1c(Br)c(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)ncc1[N+](=O)[O-] ZINC000577918320 505817498 /nfs/dbraw/zinc/81/74/98/505817498.db2.gz OWHWGQSZVVRKRW-SCZZXKLOSA-N 1 1 355.236 3.098 20 5 FGBDMO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)nc1 ZINC000174606588 496030224 /nfs/dbraw/zinc/03/02/24/496030224.db2.gz SDFIJWFZSKOJES-AWEZNQCLSA-N 1 1 372.400 3.288 20 5 FGBDMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)nc1 ZINC000174606588 496030228 /nfs/dbraw/zinc/03/02/28/496030228.db2.gz SDFIJWFZSKOJES-AWEZNQCLSA-N 1 1 372.400 3.288 20 5 FGBDMO C[C@@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000171850933 496062508 /nfs/dbraw/zinc/06/25/08/496062508.db2.gz GBQGJFCYHRLQRP-INIZCTEOSA-N 1 1 370.453 3.257 20 5 FGBDMO CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000180824890 496160331 /nfs/dbraw/zinc/16/03/31/496160331.db2.gz IYVQNAVVDZNCNL-HNNXBMFYSA-N 1 1 357.410 3.155 20 5 FGBDMO Cc1cccc(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000174925555 496167108 /nfs/dbraw/zinc/16/71/08/496167108.db2.gz KLVAAIFMKJHCJF-GOSISDBHSA-N 1 1 367.449 3.497 20 5 FGBDMO O=C1C[C@@H]([NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000180927946 496203717 /nfs/dbraw/zinc/20/37/17/496203717.db2.gz LVDINVKGZWLNLA-OXQOHEQNSA-N 1 1 351.406 3.037 20 5 FGBDMO O=C(NCc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000172199344 496205999 /nfs/dbraw/zinc/20/59/99/496205999.db2.gz TXTHCNKRSQQBOT-SFHVURJKSA-N 1 1 368.437 3.059 20 5 FGBDMO C[C@H]1CCC[N@H+]1C1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000152643191 496211984 /nfs/dbraw/zinc/21/19/84/496211984.db2.gz WLQBEWIJUCHHIV-LBPRGKRZSA-N 1 1 351.834 3.337 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000156390450 496231749 /nfs/dbraw/zinc/23/17/49/496231749.db2.gz LTOHYTOVSMOORK-KBXCAEBGSA-N 1 1 358.442 3.384 20 5 FGBDMO C[C@H]1C[C@@H](N(C)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000175202604 496290508 /nfs/dbraw/zinc/29/05/08/496290508.db2.gz ZGHFQOCKTBTNHB-YJBOKZPZSA-N 1 1 362.474 3.042 20 5 FGBDMO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[N@H+](C2CCCC2)CC1 ZINC000172422475 496292445 /nfs/dbraw/zinc/29/24/45/496292445.db2.gz XXTNCVJYSHCTMB-UHFFFAOYSA-N 1 1 351.834 3.339 20 5 FGBDMO Cc1cnn(-c2cc[nH+]cc2NC(=O)CSc2ccccc2[N+](=O)[O-])c1 ZINC000156673900 496309116 /nfs/dbraw/zinc/30/91/16/496309116.db2.gz SNOMDMRWXMGNTJ-UHFFFAOYSA-N 1 1 369.406 3.215 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)c(C(F)(F)F)c1 ZINC000156751327 496326317 /nfs/dbraw/zinc/32/63/17/496326317.db2.gz POPIOQXUXWGQLV-LBPRGKRZSA-N 1 1 369.347 3.117 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](Cn3cncn3)C2)c(C(F)(F)F)c1 ZINC000156751327 496326324 /nfs/dbraw/zinc/32/63/24/496326324.db2.gz POPIOQXUXWGQLV-LBPRGKRZSA-N 1 1 369.347 3.117 20 5 FGBDMO CC[C@@H]([NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000184344786 496342769 /nfs/dbraw/zinc/34/27/69/496342769.db2.gz STYHFXPKNQFSRX-GFCCVEGCSA-N 1 1 364.427 3.048 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[N@H+](C2CCCC2)CC1 ZINC000172583622 496352328 /nfs/dbraw/zinc/35/23/28/496352328.db2.gz RCEOVIKHOQNKLE-UHFFFAOYSA-N 1 1 374.485 3.182 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000172761805 496419850 /nfs/dbraw/zinc/41/98/50/496419850.db2.gz PMGRJCGZQZKEOH-HNNXBMFYSA-N 1 1 353.422 3.080 20 5 FGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000157162800 496420163 /nfs/dbraw/zinc/42/01/63/496420163.db2.gz AFJVKPOGWDGVNL-CPUCHLNUSA-N 1 1 363.483 3.018 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000187436560 496440174 /nfs/dbraw/zinc/44/01/74/496440174.db2.gz ZTWGEJBSFCBBEW-UHFFFAOYSA-N 1 1 358.394 3.087 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000178426567 496452134 /nfs/dbraw/zinc/45/21/34/496452134.db2.gz WBBURIJVJSJZNQ-CXAGYDPISA-N 1 1 374.441 3.084 20 5 FGBDMO C[C@@H](NC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000175734073 496521188 /nfs/dbraw/zinc/52/11/88/496521188.db2.gz DPDIIFJMTDLAAF-PBHICJAKSA-N 1 1 360.458 3.220 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000157727259 496539854 /nfs/dbraw/zinc/53/98/54/496539854.db2.gz NALYIRJZRNGCIK-BBRMVZONSA-N 1 1 363.483 3.263 20 5 FGBDMO CCc1ccc(C(=O)N(C)CCC[N@@H+](C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000580849458 505852868 /nfs/dbraw/zinc/85/28/68/505852868.db2.gz FFWGJROEBATXPC-UHFFFAOYSA-N 1 1 359.426 3.344 20 5 FGBDMO COc1ccccc1[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000157959334 496594892 /nfs/dbraw/zinc/59/48/92/496594892.db2.gz GSTPVIAMFKKHCS-CABCVRRESA-N 1 1 369.421 3.420 20 5 FGBDMO COc1ccccc1[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000157959334 496594896 /nfs/dbraw/zinc/59/48/96/496594896.db2.gz GSTPVIAMFKKHCS-CABCVRRESA-N 1 1 369.421 3.420 20 5 FGBDMO C[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000178876393 496602446 /nfs/dbraw/zinc/60/24/46/496602446.db2.gz IAJKKUHQICUBNK-GMBSWORKSA-N 1 1 372.469 3.314 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCc2cccc(F)c2C1 ZINC000158085376 496624136 /nfs/dbraw/zinc/62/41/36/496624136.db2.gz MPVBVKABZQXLNC-UHFFFAOYSA-N 1 1 373.384 3.129 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)ccc1Cl ZINC000153940692 496630221 /nfs/dbraw/zinc/63/02/21/496630221.db2.gz UUECTMCGELYNSX-CYBMUJFWSA-N 1 1 361.833 3.166 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)ccc1Cl ZINC000153940692 496630225 /nfs/dbraw/zinc/63/02/25/496630225.db2.gz UUECTMCGELYNSX-CYBMUJFWSA-N 1 1 361.833 3.166 20 5 FGBDMO C[C@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185086211 496653393 /nfs/dbraw/zinc/65/33/93/496653393.db2.gz KQJQXMNXFQATHL-KGLIPLIRSA-N 1 1 365.449 3.464 20 5 FGBDMO Cc1c(Br)c(NCC[NH+]2CCC(C)CC2)ncc1[N+](=O)[O-] ZINC000165735323 496667879 /nfs/dbraw/zinc/66/78/79/496667879.db2.gz PAYCECMQRDRATE-UHFFFAOYSA-N 1 1 357.252 3.205 20 5 FGBDMO C[C@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000182159482 496691736 /nfs/dbraw/zinc/69/17/36/496691736.db2.gz YIVQKVLDPUJEFN-HNNXBMFYSA-N 1 1 371.412 3.182 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000182218957 496711563 /nfs/dbraw/zinc/71/15/63/496711563.db2.gz ZOYOZBMBYKIAHD-DLBZAZTESA-N 1 1 360.385 3.311 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@@H](O)COc1ccccc1F)C1CC1 ZINC000179239948 496719128 /nfs/dbraw/zinc/71/91/28/496719128.db2.gz XZJVCUHAKHVIPX-MRXNPFEDSA-N 1 1 360.385 3.138 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@@H](O)COc1ccccc1F)C1CC1 ZINC000179239948 496719131 /nfs/dbraw/zinc/71/91/31/496719131.db2.gz XZJVCUHAKHVIPX-MRXNPFEDSA-N 1 1 360.385 3.138 20 5 FGBDMO Cc1cnc([C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C2CC2)s1 ZINC000185294984 496725405 /nfs/dbraw/zinc/72/54/05/496725405.db2.gz SVZQIPMWTHECNT-MRXNPFEDSA-N 1 1 360.439 3.348 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000182298110 496727869 /nfs/dbraw/zinc/72/78/69/496727869.db2.gz BBQAYKMVFLHKSZ-INIZCTEOSA-N 1 1 362.813 3.046 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000182298110 496727871 /nfs/dbraw/zinc/72/78/71/496727871.db2.gz BBQAYKMVFLHKSZ-INIZCTEOSA-N 1 1 362.813 3.046 20 5 FGBDMO C[N@H+](Cc1ccc(Cl)c(F)c1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182299938 496728238 /nfs/dbraw/zinc/72/82/38/496728238.db2.gz HSIOUMHLWRFTDA-CYBMUJFWSA-N 1 1 368.792 3.259 20 5 FGBDMO C[N@H+](Cc1ccc(Cl)c(F)c1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182299915 496728284 /nfs/dbraw/zinc/72/82/84/496728284.db2.gz HSIOUMHLWRFTDA-ZDUSSCGKSA-N 1 1 368.792 3.259 20 5 FGBDMO Cc1cccc(C2=CC[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000182344755 496730637 /nfs/dbraw/zinc/73/06/37/496730637.db2.gz OKNLHDPFKRXAJM-IBGZPJMESA-N 1 1 368.433 3.432 20 5 FGBDMO CCOCCC[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000247191430 496802302 /nfs/dbraw/zinc/80/23/02/496802302.db2.gz SUYBQCRSMDUVCT-SWLSCSKDSA-N 1 1 356.854 3.192 20 5 FGBDMO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000273484207 496819763 /nfs/dbraw/zinc/81/97/63/496819763.db2.gz RDKIWORMZMCPDT-PXAZEXFGSA-N 1 1 362.405 3.215 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000247673551 496904336 /nfs/dbraw/zinc/90/43/36/496904336.db2.gz RCEADRFZMLARSF-YJBOKZPZSA-N 1 1 371.441 3.011 20 5 FGBDMO COCCC[N@@H+](CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000188927804 496950704 /nfs/dbraw/zinc/95/07/04/496950704.db2.gz MCXDIJVUYQMFMY-UHFFFAOYSA-N 1 1 350.440 3.154 20 5 FGBDMO CSc1ccc(C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000195621254 496954711 /nfs/dbraw/zinc/95/47/11/496954711.db2.gz ZIOBOEFCZFCKMB-OLZOCXBDSA-N 1 1 351.472 3.167 20 5 FGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000248757734 497100728 /nfs/dbraw/zinc/10/07/28/497100728.db2.gz KKVFSDZUTKTFAD-RXVVDRJESA-N 1 1 370.449 3.482 20 5 FGBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000278416114 497106541 /nfs/dbraw/zinc/10/65/41/497106541.db2.gz SMXCGMWGVCCOHS-UHFFFAOYSA-N 1 1 369.421 3.219 20 5 FGBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](CC)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000248951536 497139326 /nfs/dbraw/zinc/13/93/26/497139326.db2.gz ZWPGCTXWMPVOQI-QZTJIDSGSA-N 1 1 361.486 3.354 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000278615577 497168101 /nfs/dbraw/zinc/16/81/01/497168101.db2.gz LMTHDCYBDYGEEX-ZDUSSCGKSA-N 1 1 353.850 3.264 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000249117805 497169972 /nfs/dbraw/zinc/16/99/72/497169972.db2.gz YSTSRDRPJSGKKS-SJLPKXTDSA-N 1 1 370.409 3.170 20 5 FGBDMO CCn1nc(C)c([N+](=O)[O-])c1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000192641754 497173126 /nfs/dbraw/zinc/17/31/26/497173126.db2.gz QFJVNGQMVLOQHP-QGZVFWFLSA-N 1 1 357.458 3.220 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000270689511 497179899 /nfs/dbraw/zinc/17/98/99/497179899.db2.gz SZSYQWARQCMSKH-HZPDHXFCSA-N 1 1 359.813 3.423 20 5 FGBDMO COc1ccc(-c2ccc(CNC[C@@H](C)[N@@H+](C)C3CC3)o2)c([N+](=O)[O-])c1 ZINC000237428471 497235880 /nfs/dbraw/zinc/23/58/80/497235880.db2.gz LMYZZBFQILZGBT-CYBMUJFWSA-N 1 1 359.426 3.436 20 5 FGBDMO COc1ccc(-c2ccc(C[NH2+]C[C@@H](C)N(C)C3CC3)o2)c([N+](=O)[O-])c1 ZINC000237428471 497235885 /nfs/dbraw/zinc/23/58/85/497235885.db2.gz LMYZZBFQILZGBT-CYBMUJFWSA-N 1 1 359.426 3.436 20 5 FGBDMO CCn1c(SCCn2cc[nH+]c2C)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000271035136 497250234 /nfs/dbraw/zinc/25/02/34/497250234.db2.gz DSNZKFSCVIRFGG-UHFFFAOYSA-N 1 1 358.427 3.170 20 5 FGBDMO O=C(CC[N@H+]1CC[C@H](CC(F)(F)F)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000278908874 497263819 /nfs/dbraw/zinc/26/38/19/497263819.db2.gz VUBYKABENWYZCK-SNVBAGLBSA-N 1 1 363.311 3.337 20 5 FGBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000279250334 497382848 /nfs/dbraw/zinc/38/28/48/497382848.db2.gz IBMOGZOJBQRGIE-LBPRGKRZSA-N 1 1 371.840 3.024 20 5 FGBDMO C[C@]1(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000581074211 505904702 /nfs/dbraw/zinc/90/47/02/505904702.db2.gz KNNTYXAWZVTCRB-IBGZPJMESA-N 1 1 357.385 3.128 20 5 FGBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)C[C@@H]1CCCCO1 ZINC000266756166 497413186 /nfs/dbraw/zinc/41/31/86/497413186.db2.gz UOIIXDXCWVSQRK-YPMHNXCESA-N 1 1 355.822 3.076 20 5 FGBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000266756166 497413191 /nfs/dbraw/zinc/41/31/91/497413191.db2.gz UOIIXDXCWVSQRK-YPMHNXCESA-N 1 1 355.822 3.076 20 5 FGBDMO Cc1cc(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2Cl)ccc1[N+](=O)[O-] ZINC000261995018 497489295 /nfs/dbraw/zinc/48/92/95/497489295.db2.gz PJZKAFDTLCAYCI-QGZVFWFLSA-N 1 1 359.813 3.343 20 5 FGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c(F)c1 ZINC000267336562 497527907 /nfs/dbraw/zinc/52/79/07/497527907.db2.gz BDDXUKRZRSCNFU-QGZVFWFLSA-N 1 1 352.406 3.284 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000572209791 505914453 /nfs/dbraw/zinc/91/44/53/505914453.db2.gz LVWPPACKTHZBPL-DOTOQJQBSA-N 1 1 374.485 3.140 20 5 FGBDMO COc1cccc(C(=O)N2C[C@@H]3CCC[N@H+]3Cc3ccccc32)c1[N+](=O)[O-] ZINC000194070570 497564336 /nfs/dbraw/zinc/56/43/36/497564336.db2.gz HXOWJTWWOLWTMD-HNNXBMFYSA-N 1 1 367.405 3.228 20 5 FGBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000246074441 497611770 /nfs/dbraw/zinc/61/17/70/497611770.db2.gz DXLROKURRCTLAO-QMTHXVAHSA-N 1 1 359.348 3.026 20 5 FGBDMO CC(C)[C@@H](O)C(C)(C)C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272546987 497657445 /nfs/dbraw/zinc/65/74/45/497657445.db2.gz QIOWJOSWSGUTOO-DLBZAZTESA-N 1 1 360.458 3.050 20 5 FGBDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246373934 497711875 /nfs/dbraw/zinc/71/18/75/497711875.db2.gz HPOLWQIYXBSRND-ZTNFWEORSA-N 1 1 356.422 3.213 20 5 FGBDMO CC[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC[C@H]1c1ccccc1 ZINC000246449299 497738412 /nfs/dbraw/zinc/73/84/12/497738412.db2.gz COBJEYMPECSLKY-VQIMIIECSA-N 1 1 355.438 3.272 20 5 FGBDMO Cc1[nH+]ccn1CCCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000273104797 497799634 /nfs/dbraw/zinc/79/96/34/497799634.db2.gz JITNKDAEJKROKK-UHFFFAOYSA-N 1 1 368.846 3.052 20 5 FGBDMO CCOCCC[N@H+]1CC[C@@H](Nc2ccc(C(C)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246798636 497811898 /nfs/dbraw/zinc/81/18/98/497811898.db2.gz NAQJQMKRUNRPSS-WMLDXEAASA-N 1 1 363.458 3.346 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000246862517 497817339 /nfs/dbraw/zinc/81/73/39/497817339.db2.gz UIWMEBPAXHGMJU-IVMMDQJWSA-N 1 1 358.398 3.207 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000575188430 505938719 /nfs/dbraw/zinc/93/87/19/505938719.db2.gz YNDJIKHTSXIXFC-OAHLLOKOSA-N 1 1 371.437 3.244 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@H]3[C@H]3CCCO3)o2)c1 ZINC000284753879 497889012 /nfs/dbraw/zinc/88/90/12/497889012.db2.gz LOWRZSUGBBVLKH-DLBZAZTESA-N 1 1 357.410 3.436 20 5 FGBDMO CC(C)(CCC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[N+](=O)[O-] ZINC000296049342 497903212 /nfs/dbraw/zinc/90/32/12/497903212.db2.gz NOIZAUITZATNKE-SFHVURJKSA-N 1 1 361.486 3.240 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000578483599 505950179 /nfs/dbraw/zinc/95/01/79/505950179.db2.gz RNGIESWGIHDNLH-QGZVFWFLSA-N 1 1 370.409 3.164 20 5 FGBDMO C[C@@]12CC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]1C2(Cl)Cl ZINC000284895758 497934884 /nfs/dbraw/zinc/93/48/84/497934884.db2.gz UOQCOJDXEAAKMT-DZGCQCFKSA-N 1 1 372.252 3.439 20 5 FGBDMO Cc1nn(C)c(NC[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000301127889 497963927 /nfs/dbraw/zinc/96/39/27/497963927.db2.gz XTYJQJKRPOWCOG-QGZVFWFLSA-N 1 1 357.458 3.132 20 5 FGBDMO CCc1cc(N2CCC[N@H+](CC)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301199092 497995520 /nfs/dbraw/zinc/99/55/20/497995520.db2.gz LRWCTHUDGLDINN-UHFFFAOYSA-N 1 1 355.442 3.146 20 5 FGBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(Cc3ccccn3)CC2)c2c(c1)COCO2 ZINC000364529226 498004777 /nfs/dbraw/zinc/00/47/77/498004777.db2.gz NDJISRPFQOJCHA-UHFFFAOYSA-N 1 1 369.421 3.311 20 5 FGBDMO C[C@H](c1nc(-c2cccnc2)no1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285213649 498022140 /nfs/dbraw/zinc/02/21/40/498022140.db2.gz DVDATGRIHHVRKJ-CYBMUJFWSA-N 1 1 353.382 3.275 20 5 FGBDMO C[C@H](c1nc(-c2cccnc2)no1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285213649 498022146 /nfs/dbraw/zinc/02/21/46/498022146.db2.gz DVDATGRIHHVRKJ-CYBMUJFWSA-N 1 1 353.382 3.275 20 5 FGBDMO C[C@@H]1C[C@H](N2CCCC2)C[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000285422002 498079779 /nfs/dbraw/zinc/07/97/79/498079779.db2.gz DSVYHFQFMARMCS-QAPCUYQASA-N 1 1 370.453 3.351 20 5 FGBDMO C[C@@H]1C[C@H](N2CCCC2)C[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000285422002 498079775 /nfs/dbraw/zinc/07/97/75/498079775.db2.gz DSVYHFQFMARMCS-QAPCUYQASA-N 1 1 370.453 3.351 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3c[nH]nc3-c3ccccc3F)nc2c1 ZINC000364758209 498130989 /nfs/dbraw/zinc/13/09/89/498130989.db2.gz JLLYYGZGDGCYJV-UHFFFAOYSA-N 1 1 366.356 3.290 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@H](c4ccncc4)C3)n2)c1 ZINC000289408492 498135277 /nfs/dbraw/zinc/13/52/77/498135277.db2.gz SRWNFNFTTHBMEZ-INIZCTEOSA-N 1 1 365.393 3.419 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@H](c4ccncc4)C3)n2)c1 ZINC000289408492 498135285 /nfs/dbraw/zinc/13/52/85/498135285.db2.gz SRWNFNFTTHBMEZ-INIZCTEOSA-N 1 1 365.393 3.419 20 5 FGBDMO CCCc1[nH]nc(C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000281563598 498196166 /nfs/dbraw/zinc/19/61/66/498196166.db2.gz LBDRNBYUYCHQQI-UHFFFAOYSA-N 1 1 365.821 3.238 20 5 FGBDMO CC[C@@H](Nc1ccc([N+](=O)[O-])c(C)n1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000301661819 498210976 /nfs/dbraw/zinc/21/09/76/498210976.db2.gz MWQFEYHPGJPRBU-MJGOQNOKSA-N 1 1 370.453 3.390 20 5 FGBDMO CC[C@@H](Nc1ccc([N+](=O)[O-])c(C)n1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000301661819 498210984 /nfs/dbraw/zinc/21/09/84/498210984.db2.gz MWQFEYHPGJPRBU-MJGOQNOKSA-N 1 1 370.453 3.390 20 5 FGBDMO C[NH+]1CCC[C@]2(CC[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)C1 ZINC000292996347 498228074 /nfs/dbraw/zinc/22/80/74/498228074.db2.gz OLVNLSDABXTUSB-FQEVSTJZSA-N 1 1 370.453 3.210 20 5 FGBDMO C[NH+]1CCC[C@]2(CC[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)C1 ZINC000292996347 498228079 /nfs/dbraw/zinc/22/80/79/498228079.db2.gz OLVNLSDABXTUSB-FQEVSTJZSA-N 1 1 370.453 3.210 20 5 FGBDMO CN1CCC[C@]2(CC[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)C1 ZINC000292996347 498228084 /nfs/dbraw/zinc/22/80/84/498228084.db2.gz OLVNLSDABXTUSB-FQEVSTJZSA-N 1 1 370.453 3.210 20 5 FGBDMO CN1CCC[C@]2(CC[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)C1 ZINC000292996347 498228089 /nfs/dbraw/zinc/22/80/89/498228089.db2.gz OLVNLSDABXTUSB-FQEVSTJZSA-N 1 1 370.453 3.210 20 5 FGBDMO C[N@@H+]1CCC[C@]2(CCN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)C1 ZINC000292996347 498228096 /nfs/dbraw/zinc/22/80/96/498228096.db2.gz OLVNLSDABXTUSB-FQEVSTJZSA-N 1 1 370.453 3.210 20 5 FGBDMO C[N@H+]1CCC[C@]2(CCN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)C1 ZINC000292996347 498228104 /nfs/dbraw/zinc/22/81/04/498228104.db2.gz OLVNLSDABXTUSB-FQEVSTJZSA-N 1 1 370.453 3.210 20 5 FGBDMO COc1cc(C[N@@H+]2CCC=C(c3ccncc3)C2)c([N+](=O)[O-])cc1OC ZINC000289667959 498239336 /nfs/dbraw/zinc/23/93/36/498239336.db2.gz NLASKXBWLQVTQM-UHFFFAOYSA-N 1 1 355.394 3.296 20 5 FGBDMO COc1cc(C[N@H+]2CCC=C(c3ccncc3)C2)c([N+](=O)[O-])cc1OC ZINC000289667959 498239343 /nfs/dbraw/zinc/23/93/43/498239343.db2.gz NLASKXBWLQVTQM-UHFFFAOYSA-N 1 1 355.394 3.296 20 5 FGBDMO CC[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCCc2cccnc21 ZINC000364996532 498246776 /nfs/dbraw/zinc/24/67/76/498246776.db2.gz AUHTUCLKENTHTJ-AEFFLSMTSA-N 1 1 371.437 3.129 20 5 FGBDMO CC(C)[C@@]1(CO)CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000293117044 498274446 /nfs/dbraw/zinc/27/44/46/498274446.db2.gz RGUFPVLGSXYNJZ-IBGZPJMESA-N 1 1 359.426 3.480 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)ccc1NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000301864595 498301704 /nfs/dbraw/zinc/30/17/04/498301704.db2.gz GPZXYGJJHVXMQC-JKSUJKDBSA-N 1 1 361.829 3.296 20 5 FGBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000286311743 498358599 /nfs/dbraw/zinc/35/85/99/498358599.db2.gz CWRBVFGVWBOANR-GDNCQQSUSA-N 1 1 369.421 3.148 20 5 FGBDMO CCc1nocc1C[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000293369005 498361218 /nfs/dbraw/zinc/36/12/18/498361218.db2.gz JABFVIKZUHLUCN-UHFFFAOYSA-N 1 1 356.382 3.475 20 5 FGBDMO C[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000302151430 498419020 /nfs/dbraw/zinc/41/90/20/498419020.db2.gz BRPNVRVQMYXFSQ-MRXNPFEDSA-N 1 1 356.426 3.323 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCCCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000286535409 498427755 /nfs/dbraw/zinc/42/77/55/498427755.db2.gz YLMBEDWLJAGQBR-CYBMUJFWSA-N 1 1 359.430 3.310 20 5 FGBDMO CC(C)[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cn2)[C@H]1c1ccc(F)c(F)c1 ZINC000302216954 498447016 /nfs/dbraw/zinc/44/70/16/498447016.db2.gz JWPZXQKJDXPGEZ-HZPDHXFCSA-N 1 1 363.368 3.299 20 5 FGBDMO CC(C)[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cn2)[C@H]1c1ccc(F)c(F)c1 ZINC000302216954 498447021 /nfs/dbraw/zinc/44/70/21/498447021.db2.gz JWPZXQKJDXPGEZ-HZPDHXFCSA-N 1 1 363.368 3.299 20 5 FGBDMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C2CC2)C[C@H]1C ZINC000578877114 506043228 /nfs/dbraw/zinc/04/32/28/506043228.db2.gz ZKMGBFNHBDHODM-ZIAGYGMSSA-N 1 1 370.457 3.107 20 5 FGBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@@H](C)c2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000297786221 498567517 /nfs/dbraw/zinc/56/75/17/498567517.db2.gz AITXFTCUEXKYPK-ZDUSSCGKSA-N 1 1 373.409 3.331 20 5 FGBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000297913954 498608493 /nfs/dbraw/zinc/60/84/93/498608493.db2.gz UCNVNFZATKHTIF-XHDPSFHLSA-N 1 1 371.359 3.170 20 5 FGBDMO Cc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc(N2CCCC2)[nH+]1 ZINC000290590794 498610629 /nfs/dbraw/zinc/61/06/29/498610629.db2.gz QLVHOEGCEMEPRH-UHFFFAOYSA-N 1 1 374.828 3.482 20 5 FGBDMO Cc1sc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000572846396 506066325 /nfs/dbraw/zinc/06/63/25/506066325.db2.gz YSBNBZSEWSZICP-SFHVURJKSA-N 1 1 359.451 3.359 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000332538079 498717931 /nfs/dbraw/zinc/71/79/31/498717931.db2.gz WCIRANWQEMETEK-XJKSGUPXSA-N 1 1 369.259 3.484 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000332538079 498717934 /nfs/dbraw/zinc/71/79/34/498717934.db2.gz WCIRANWQEMETEK-XJKSGUPXSA-N 1 1 369.259 3.484 20 5 FGBDMO CCC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1C[C@H](OCC)C1(C)C ZINC000303944278 498730873 /nfs/dbraw/zinc/73/08/73/498730873.db2.gz ZBANCYZXVKSAFX-SJORKVTESA-N 1 1 363.458 3.109 20 5 FGBDMO COc1ccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)c1OC ZINC000570078970 506085265 /nfs/dbraw/zinc/08/52/65/506085265.db2.gz GSWKODKZJJMGGC-HNNXBMFYSA-N 1 1 372.425 3.002 20 5 FGBDMO C[C@@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312597030 498760845 /nfs/dbraw/zinc/76/08/45/498760845.db2.gz XRHVIQKQUQTILM-RHSMWYFYSA-N 1 1 368.437 3.016 20 5 FGBDMO CO[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000294736238 498788860 /nfs/dbraw/zinc/78/88/60/498788860.db2.gz DQGABBNFIVQJFY-QGZVFWFLSA-N 1 1 358.442 3.242 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cn2)cc1F ZINC000366141892 498794774 /nfs/dbraw/zinc/79/47/74/498794774.db2.gz DCJJFQSSYRIUBH-NSHDSACASA-N 1 1 369.356 3.114 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000319339401 498801401 /nfs/dbraw/zinc/80/14/01/498801401.db2.gz SVOWZCCEIQJULU-SQWLQELKSA-N 1 1 369.259 3.483 20 5 FGBDMO CCn1ccnc1[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000298567065 498816277 /nfs/dbraw/zinc/81/62/77/498816277.db2.gz PYWZMPDLHSRJEG-KRWDZBQOSA-N 1 1 371.441 3.367 20 5 FGBDMO CCn1ccnc1[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000298567065 498816283 /nfs/dbraw/zinc/81/62/83/498816283.db2.gz PYWZMPDLHSRJEG-KRWDZBQOSA-N 1 1 371.441 3.367 20 5 FGBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cc(C(F)(F)F)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000294984341 498870525 /nfs/dbraw/zinc/87/05/25/498870525.db2.gz OTDZQRLTROWOQD-SMDDNHRTSA-N 1 1 371.359 3.170 20 5 FGBDMO CCOc1cc(C[N@H+]2CC[C@@H](OCc3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000287817200 498871386 /nfs/dbraw/zinc/87/13/86/498871386.db2.gz PLRGREUYBRCSHI-QGZVFWFLSA-N 1 1 357.410 3.180 20 5 FGBDMO COC(=O)c1cc([N+](=O)[O-])c(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1Cl ZINC000363783972 498991186 /nfs/dbraw/zinc/99/11/86/498991186.db2.gz OHWVDONGQDPHPD-MNOVXSKESA-N 1 1 353.806 3.074 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000363818377 499009213 /nfs/dbraw/zinc/00/92/13/499009213.db2.gz KMTXTULTECCHTA-LBPRGKRZSA-N 1 1 354.332 3.337 20 5 FGBDMO C[C@]1(NC(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+](Cc2ccccc2)C1 ZINC000582066449 506126263 /nfs/dbraw/zinc/12/62/63/506126263.db2.gz DISUZCHOOTUNFN-IBGZPJMESA-N 1 1 357.385 3.128 20 5 FGBDMO COCC[C@@H]1CCCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000364167503 499126730 /nfs/dbraw/zinc/12/67/30/499126730.db2.gz JSNCGYYIICQGQH-AWEZNQCLSA-N 1 1 350.415 3.100 20 5 FGBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C[C@H]2[C@@H]1c1ccccc1 ZINC000370383174 499215296 /nfs/dbraw/zinc/21/52/96/499215296.db2.gz CDMLSCAJEGXJBC-BJZITVGISA-N 1 1 369.396 3.109 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(n2cc(Cl)cn2)CC1 ZINC000367872325 499240406 /nfs/dbraw/zinc/24/04/06/499240406.db2.gz ZJHWHWIZIRSSDV-UHFFFAOYSA-N 1 1 350.806 3.290 20 5 FGBDMO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1 ZINC000367926859 499246391 /nfs/dbraw/zinc/24/63/91/499246391.db2.gz MHIINNKHJSAGLE-LIRRHRJNSA-N 1 1 371.441 3.026 20 5 FGBDMO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1 ZINC000367926859 499246393 /nfs/dbraw/zinc/24/63/93/499246393.db2.gz MHIINNKHJSAGLE-LIRRHRJNSA-N 1 1 371.441 3.026 20 5 FGBDMO C[C@H]1[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCC12CCOCC2 ZINC000368217996 499275261 /nfs/dbraw/zinc/27/52/61/499275261.db2.gz CHSCMQYNAQYYJI-CYBMUJFWSA-N 1 1 358.398 3.036 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000371066486 499285593 /nfs/dbraw/zinc/28/55/93/499285593.db2.gz SCSCJCMDBVUXES-CZUORRHYSA-N 1 1 372.425 3.454 20 5 FGBDMO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000368353122 499288065 /nfs/dbraw/zinc/28/80/65/499288065.db2.gz CCLFPXWZNBDSCP-IRXDYDNUSA-N 1 1 351.834 3.224 20 5 FGBDMO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000368353122 499288067 /nfs/dbraw/zinc/28/80/67/499288067.db2.gz CCLFPXWZNBDSCP-IRXDYDNUSA-N 1 1 351.834 3.224 20 5 FGBDMO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](c1cccc(F)c1)c1ccccn1 ZINC000368405519 499292921 /nfs/dbraw/zinc/29/29/21/499292921.db2.gz SGUCTILLWGTCKR-GOSISDBHSA-N 1 1 355.373 3.047 20 5 FGBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](c1cccc(F)c1)c1ccccn1 ZINC000368405519 499292922 /nfs/dbraw/zinc/29/29/22/499292922.db2.gz SGUCTILLWGTCKR-GOSISDBHSA-N 1 1 355.373 3.047 20 5 FGBDMO Cc1cc([C@@H]2CCC[N@@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)C2)[nH]n1 ZINC000368695104 499322659 /nfs/dbraw/zinc/32/26/59/499322659.db2.gz RIUCYKKLIHPBRK-OAHLLOKOSA-N 1 1 371.441 3.143 20 5 FGBDMO Cc1cc([C@@H]2CCC[N@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)C2)n[nH]1 ZINC000368695104 499322660 /nfs/dbraw/zinc/32/26/60/499322660.db2.gz RIUCYKKLIHPBRK-OAHLLOKOSA-N 1 1 371.441 3.143 20 5 FGBDMO Cc1cc([C@@H]2CCC[N@@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)C2)n[nH]1 ZINC000368695104 499322661 /nfs/dbraw/zinc/32/26/61/499322661.db2.gz RIUCYKKLIHPBRK-OAHLLOKOSA-N 1 1 371.441 3.143 20 5 FGBDMO CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000371783342 499365136 /nfs/dbraw/zinc/36/51/36/499365136.db2.gz ICOYCDCGABWIRS-DZGCQCFKSA-N 1 1 374.416 3.288 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)ccc1Br ZINC000372399186 499429420 /nfs/dbraw/zinc/42/94/20/499429420.db2.gz DCDVGYJZVQYJLF-WFASDCNBSA-N 1 1 355.232 3.358 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)ccc1Br ZINC000372399186 499429421 /nfs/dbraw/zinc/42/94/21/499429421.db2.gz DCDVGYJZVQYJLF-WFASDCNBSA-N 1 1 355.232 3.358 20 5 FGBDMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[C@H]1c1cccc(Cl)c1 ZINC000369358943 499395291 /nfs/dbraw/zinc/39/52/91/499395291.db2.gz OETSSPCWJRSFAJ-BLLLJJGKSA-N 1 1 363.801 3.264 20 5 FGBDMO C[N@H+]1CC[C@@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1c1cccnc1 ZINC000372401864 499429697 /nfs/dbraw/zinc/42/96/97/499429697.db2.gz RWHLHGICYAPLBT-GUYCJALGSA-N 1 1 374.828 3.066 20 5 FGBDMO C[N@H+]1CC[C@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000369672726 499434982 /nfs/dbraw/zinc/43/49/82/499434982.db2.gz SDHIKVCRHSSRCO-KDOFPFPSSA-N 1 1 359.451 3.008 20 5 FGBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cc([N+](=O)[O-])ccc3Cl)CC2)n1 ZINC000369681299 499435654 /nfs/dbraw/zinc/43/56/54/499435654.db2.gz KCLHIPJZVCDSPY-UHFFFAOYSA-N 1 1 365.777 3.190 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000373145964 499453790 /nfs/dbraw/zinc/45/37/90/499453790.db2.gz RQXZTCZDTHKAFX-OAHLLOKOSA-N 1 1 357.454 3.240 20 5 FGBDMO C[C@H](C(=O)N1CCC([N@H+]2CCC[C@@H]2C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000373258151 499460120 /nfs/dbraw/zinc/46/01/20/499460120.db2.gz GSILMLAKNKYSBD-KBPBESRZSA-N 1 1 363.433 3.313 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@H](c4ccncn4)C3)co2)cc1 ZINC000378324685 499501659 /nfs/dbraw/zinc/50/16/59/499501659.db2.gz YCVFKCAWTKFXOL-HNNXBMFYSA-N 1 1 365.393 3.419 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@H](c4ccncn4)C3)co2)cc1 ZINC000378324685 499501660 /nfs/dbraw/zinc/50/16/60/499501660.db2.gz YCVFKCAWTKFXOL-HNNXBMFYSA-N 1 1 365.393 3.419 20 5 FGBDMO CC(=O)c1cc(NCc2ccc(-n3cc[nH+]c3C)nc2)ccc1[N+](=O)[O-] ZINC000376104817 499583374 /nfs/dbraw/zinc/58/33/74/499583374.db2.gz URLDNOLNBCGYIW-UHFFFAOYSA-N 1 1 351.366 3.299 20 5 FGBDMO COC[C@H]1CCCC[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000376370977 499603849 /nfs/dbraw/zinc/60/38/49/499603849.db2.gz SGIXINPTKWULFY-KGLIPLIRSA-N 1 1 360.414 3.454 20 5 FGBDMO C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC000411204615 499710801 /nfs/dbraw/zinc/71/08/01/499710801.db2.gz BQBFGOHLZZQMPY-ZCNNSNEGSA-N 1 1 365.433 3.214 20 5 FGBDMO C[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC000411204615 499710802 /nfs/dbraw/zinc/71/08/02/499710802.db2.gz BQBFGOHLZZQMPY-ZCNNSNEGSA-N 1 1 365.433 3.214 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H](C)c1ccncc1 ZINC000411414076 499737127 /nfs/dbraw/zinc/73/71/27/499737127.db2.gz DOXLBCACMGQHET-CYBMUJFWSA-N 1 1 358.398 3.020 20 5 FGBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3csc([N+](=O)[O-])c3)C[C@@H]2[C@@H]1c1ccccc1 ZINC000377815315 499737912 /nfs/dbraw/zinc/73/79/12/499737912.db2.gz VSHQWMSWCNOJBL-VYDXJSESSA-N 1 1 357.435 3.031 20 5 FGBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3csc([N+](=O)[O-])c3)C[C@H]2[C@@H]1c1ccccc1 ZINC000377815314 499738009 /nfs/dbraw/zinc/73/80/09/499738009.db2.gz VSHQWMSWCNOJBL-INMHGKMJSA-N 1 1 357.435 3.031 20 5 FGBDMO COc1ccc(-c2ccc(CN3CCC[C@@H]([C@H](C)[NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000414654791 499817475 /nfs/dbraw/zinc/81/74/75/499817475.db2.gz GOSFOALWXYFZHI-UONOGXRCSA-N 1 1 359.426 3.423 20 5 FGBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)C1 ZINC000412165196 499829739 /nfs/dbraw/zinc/82/97/39/499829739.db2.gz WWLGRXPDOKITHL-OAHLLOKOSA-N 1 1 363.458 3.186 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)C[C@@H]1C ZINC000413501585 499973005 /nfs/dbraw/zinc/97/30/05/499973005.db2.gz PKRXLVITZPSLFE-HOCLYGCPSA-N 1 1 363.458 3.327 20 5 FGBDMO O=C1[C@@H]([N@@H+]2CCC=C(c3ccccc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000582256150 506169883 /nfs/dbraw/zinc/16/98/83/506169883.db2.gz DJCNASFCGGDBKL-FQEVSTJZSA-N 1 1 363.417 3.489 20 5 FGBDMO O=C1[C@@H]([N@H+]2CCC=C(c3ccccc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000582256150 506169888 /nfs/dbraw/zinc/16/98/88/506169888.db2.gz DJCNASFCGGDBKL-FQEVSTJZSA-N 1 1 363.417 3.489 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+]3C[C@H](C)C[C@@H](CO)C3)o2)c([N+](=O)[O-])c1 ZINC000421359791 500026366 /nfs/dbraw/zinc/02/63/66/500026366.db2.gz GVUPPBVNOBEIMV-ZIAGYGMSSA-N 1 1 360.410 3.314 20 5 FGBDMO CNC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000421395105 500036764 /nfs/dbraw/zinc/03/67/64/500036764.db2.gz YCPLFMHTTQHXMK-CQSZACIVSA-N 1 1 373.384 3.094 20 5 FGBDMO CSC[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000429289516 500044468 /nfs/dbraw/zinc/04/44/68/500044468.db2.gz BWIOVMIMPAUXFF-AWEZNQCLSA-N 1 1 351.472 3.307 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000579507455 506190439 /nfs/dbraw/zinc/19/04/39/506190439.db2.gz PWXWPNBBOKHQFH-ZDUSSCGKSA-N 1 1 351.472 3.167 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCSC[C@H]1C1CCC1 ZINC000419375036 500358806 /nfs/dbraw/zinc/35/88/06/500358806.db2.gz PPAYRLKSAKOQKH-KRWDZBQOSA-N 1 1 363.483 3.449 20 5 FGBDMO O=[N+]([O-])c1ccc(CNC2CC[NH+](Cc3ccccn3)CC2)c(Cl)c1 ZINC000419675486 500389092 /nfs/dbraw/zinc/38/90/92/500389092.db2.gz AGBUTDVBXCKFQA-UHFFFAOYSA-N 1 1 360.845 3.397 20 5 FGBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1nc2ccccc2o1 ZINC000431595202 500395937 /nfs/dbraw/zinc/39/59/37/500395937.db2.gz JGPGGZFOGJQNAI-UHFFFAOYSA-N 1 1 354.366 3.197 20 5 FGBDMO C[C@@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@@H]1C ZINC000431872167 500437462 /nfs/dbraw/zinc/43/74/62/500437462.db2.gz SUUCDXBOJZAPRM-GJZGRUSLSA-N 1 1 362.474 3.392 20 5 FGBDMO COc1ccc([C@@H](C[NH3+])CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000420353212 500446306 /nfs/dbraw/zinc/44/63/06/500446306.db2.gz BKBGBFMMFRIGJP-KRWDZBQOSA-N 1 1 355.438 3.310 20 5 FGBDMO Cn1cc[nH+]c1C[C@H]1CCCN(c2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000432337705 500500995 /nfs/dbraw/zinc/50/09/95/500500995.db2.gz 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FGBDMO CN(C(=O)C[N@@H+]1CCC[C@H](CC(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000420937779 500536422 /nfs/dbraw/zinc/53/64/22/500536422.db2.gz AAQSOOIHPVPBRA-GFCCVEGCSA-N 1 1 359.348 3.222 20 5 FGBDMO CN(C(=O)C[N@H+]1CCC[C@H](CC(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000420937779 500536424 /nfs/dbraw/zinc/53/64/24/500536424.db2.gz AAQSOOIHPVPBRA-GFCCVEGCSA-N 1 1 359.348 3.222 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)n1 ZINC000428668248 500540998 /nfs/dbraw/zinc/54/09/98/500540998.db2.gz YWTSZMSCAIVWNY-MRXNPFEDSA-N 1 1 358.467 3.328 20 5 FGBDMO Cc1ccnc(NC[C@H]2CSCC[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000428676036 500541997 /nfs/dbraw/zinc/54/19/97/500541997.db2.gz XNFYBNIHZKMREL-INIZCTEOSA-N 1 1 358.467 3.328 20 5 FGBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000437183704 500611253 /nfs/dbraw/zinc/61/12/53/500611253.db2.gz MPAHEHBISVELLT-VXGBXAGGSA-N 1 1 373.375 3.464 20 5 FGBDMO C[N@H+](Cc1ccc(F)c(Cl)c1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000433263680 500657110 /nfs/dbraw/zinc/65/71/10/500657110.db2.gz WUMXGFONSJCERS-AWEZNQCLSA-N 1 1 368.792 3.259 20 5 FGBDMO O=[N+]([O-])c1cnc(NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)s1 ZINC000443507584 500731479 /nfs/dbraw/zinc/73/14/79/500731479.db2.gz BYGHPUYIJJRVHH-CYBMUJFWSA-N 1 1 352.847 3.376 20 5 FGBDMO Cc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc1S(C)(=O)=O ZINC000444001681 500790276 /nfs/dbraw/zinc/79/02/76/500790276.db2.gz CMYOJFHZOCTRRC-UHFFFAOYSA-N 1 1 368.842 3.250 20 5 FGBDMO C[C@H]1C[C@H](NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC[N@H+]1C ZINC000444077135 500799877 /nfs/dbraw/zinc/79/98/77/500799877.db2.gz SIKDUCSAPYWJAC-QWHCGFSZSA-N 1 1 367.424 3.033 20 5 FGBDMO C[C@@H]1C[C@@H](C)[N@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000444229952 500821026 /nfs/dbraw/zinc/82/10/26/500821026.db2.gz WQPKWOOLMUYXRS-VXGBXAGGSA-N 1 1 360.439 3.387 20 5 FGBDMO C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000444229952 500821027 /nfs/dbraw/zinc/82/10/27/500821027.db2.gz WQPKWOOLMUYXRS-VXGBXAGGSA-N 1 1 360.439 3.387 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000434447072 500844001 /nfs/dbraw/zinc/84/40/01/500844001.db2.gz SXMNHRUHCOXQRW-HNNXBMFYSA-N 1 1 363.483 3.454 20 5 FGBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000448847364 500850761 /nfs/dbraw/zinc/85/07/61/500850761.db2.gz WIEQGEMWUKIFAS-ZDUSSCGKSA-N 1 1 367.421 3.127 20 5 FGBDMO CC(C)[C@@H](CO)[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccccc1 ZINC000444651188 500873483 /nfs/dbraw/zinc/87/34/83/500873483.db2.gz OKHNKYQOZTVABM-LJQANCHMSA-N 1 1 368.437 3.490 20 5 FGBDMO CC[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[C@H]1C ZINC000444656196 500874131 /nfs/dbraw/zinc/87/41/31/500874131.db2.gz CVUZONWFAIGINS-PBHICJAKSA-N 1 1 354.472 3.269 20 5 FGBDMO CC1(C)CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCS1 ZINC000434697186 500881703 /nfs/dbraw/zinc/88/17/03/500881703.db2.gz MIWQFGWDDLISDH-UHFFFAOYSA-N 1 1 357.863 3.404 20 5 FGBDMO CC1(C)CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCS1 ZINC000434697186 500881706 /nfs/dbraw/zinc/88/17/06/500881706.db2.gz MIWQFGWDDLISDH-UHFFFAOYSA-N 1 1 357.863 3.404 20 5 FGBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C1CCN(c2cnccn2)CC1 ZINC000434738999 500886473 /nfs/dbraw/zinc/88/64/73/500886473.db2.gz QIVXFRQFCGUNRL-UHFFFAOYSA-N 1 1 361.833 3.139 20 5 FGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000449045340 500910247 /nfs/dbraw/zinc/91/02/47/500910247.db2.gz GELSXHZAEKGZKM-INIZCTEOSA-N 1 1 355.438 3.470 20 5 FGBDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000439702443 500928595 /nfs/dbraw/zinc/92/85/95/500928595.db2.gz NXBSTTTWPCESOD-AWEZNQCLSA-N 1 1 353.850 3.489 20 5 FGBDMO COc1ccc2c(c1)CC[N@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])CC2 ZINC000439781093 500938060 /nfs/dbraw/zinc/93/80/60/500938060.db2.gz KXKAMHQYVHXJHG-UHFFFAOYSA-N 1 1 372.421 3.221 20 5 FGBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000449336505 500981421 /nfs/dbraw/zinc/98/14/21/500981421.db2.gz NSULHOARQYMLEP-DNVCBOLYSA-N 1 1 355.438 3.205 20 5 FGBDMO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@H+](C2CC2)C1 ZINC000449345078 500982722 /nfs/dbraw/zinc/98/27/22/500982722.db2.gz GOCHWBNVGJHZKU-GFCCVEGCSA-N 1 1 355.385 3.112 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)o1 ZINC000449437060 501002892 /nfs/dbraw/zinc/00/28/92/501002892.db2.gz YOVBHXXLZUPAIR-SPYBWZPUSA-N 1 1 372.421 3.217 20 5 FGBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H](CO)c1ccccc1 ZINC000449459652 501008114 /nfs/dbraw/zinc/00/81/14/501008114.db2.gz YELQGBGCMQPRTL-HNNXBMFYSA-N 1 1 352.337 3.362 20 5 FGBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H](CO)c1ccccc1 ZINC000449459652 501008117 /nfs/dbraw/zinc/00/81/17/501008117.db2.gz YELQGBGCMQPRTL-HNNXBMFYSA-N 1 1 352.337 3.362 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCSc3ccccc3F)C2)nc1 ZINC000440491333 501015027 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IMJLAGPXOWWVME-AWEZNQCLSA-N 1 1 369.412 3.408 20 5 FGBDMO CCOC(=O)[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])Cc2ccccc21 ZINC000441138700 501093263 /nfs/dbraw/zinc/09/32/63/501093263.db2.gz ILWGSZFOHRGHSI-KRWDZBQOSA-N 1 1 370.405 3.136 20 5 FGBDMO CCOC(=O)[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])Cc2ccccc21 ZINC000441138700 501093268 /nfs/dbraw/zinc/09/32/68/501093268.db2.gz ILWGSZFOHRGHSI-KRWDZBQOSA-N 1 1 370.405 3.136 20 5 FGBDMO CCC[N@@H+](C)C[C@H]1CCN(c2c3ccc(OC)cc3ncc2[N+](=O)[O-])C1 ZINC000450358425 501099420 /nfs/dbraw/zinc/09/94/20/501099420.db2.gz AURWCBCUVPYIPY-CQSZACIVSA-N 1 1 358.442 3.320 20 5 FGBDMO Cc1cccc(NCCNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])[nH+]1 ZINC000449894024 501119141 /nfs/dbraw/zinc/11/91/41/501119141.db2.gz DLGRGVVAWUIGCC-UHFFFAOYSA-N 1 1 368.315 3.159 20 5 FGBDMO CCc1[nH+]ccn1[C@H](C)CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000592777795 506240155 /nfs/dbraw/zinc/24/01/55/506240155.db2.gz XCYHBXMMUVVUMO-CQSZACIVSA-N 1 1 356.426 3.496 20 5 FGBDMO CCOc1ccc(NC(=O)Cn2c[nH+]c3c2C[C@H](C)[C@H](C)C3)c([N+](=O)[O-])c1 ZINC000450997758 501237806 /nfs/dbraw/zinc/23/78/06/501237806.db2.gz KMRHSQKUFDOPKF-OLZOCXBDSA-N 1 1 372.425 3.200 20 5 FGBDMO C[C@@H]1Cc2[nH+]cn(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])c2C[C@@H]1C ZINC000451340377 501269894 /nfs/dbraw/zinc/26/98/94/501269894.db2.gz KVIQTDNWHLJZHZ-MNOVXSKESA-N 1 1 362.817 3.454 20 5 FGBDMO C[C@H]1Cc2[nH+]cn(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])c2C[C@@H]1C ZINC000451340378 501270153 /nfs/dbraw/zinc/27/01/53/501270153.db2.gz KVIQTDNWHLJZHZ-QWRGUYRKSA-N 1 1 362.817 3.454 20 5 FGBDMO O=[N+]([O-])c1cccc([C@H](NC[C@H]2CCC[N@@H+]2CCCO)c2ccccc2)c1 ZINC000453272459 501304609 /nfs/dbraw/zinc/30/46/09/501304609.db2.gz UYCFTQOKKDOZEC-NHCUHLMSSA-N 1 1 369.465 3.121 20 5 FGBDMO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@H]2CCCN2CCCO)c2ccccc2)c1 ZINC000453272459 501304611 /nfs/dbraw/zinc/30/46/11/501304611.db2.gz UYCFTQOKKDOZEC-NHCUHLMSSA-N 1 1 369.465 3.121 20 5 FGBDMO O=[N+]([O-])c1cccc([C@@H](N[C@@H]2CCC[N@@H+](CCCO)C2)c2ccccc2)c1 ZINC000453280518 501306663 /nfs/dbraw/zinc/30/66/63/501306663.db2.gz BXXNYXOJOYPMHN-CTNGQTDRSA-N 1 1 369.465 3.121 20 5 FGBDMO CC(C)O[C@H]1C[C@H]([NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1(C)C ZINC000451497425 501307048 /nfs/dbraw/zinc/30/70/48/501307048.db2.gz MTZUBTIMNXYNGV-GJZGRUSLSA-N 1 1 360.414 3.327 20 5 FGBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](C[C@@H](O)COc3ccccc3F)C2)cc1 ZINC000451550411 501320890 /nfs/dbraw/zinc/32/08/90/501320890.db2.gz ROGDOCPHGITIOX-FUHWJXTLSA-N 1 1 374.412 3.353 20 5 FGBDMO Nc1nc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)nc2ccccc12 ZINC000451549624 501321128 /nfs/dbraw/zinc/32/11/28/501321128.db2.gz PRPDMMIEIKRNDC-OAHLLOKOSA-N 1 1 363.421 3.330 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451854580 501386049 /nfs/dbraw/zinc/38/60/49/501386049.db2.gz NPTDULWLVNLSOT-KBXCAEBGSA-N 1 1 358.394 3.155 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451854580 501386051 /nfs/dbraw/zinc/38/60/51/501386051.db2.gz NPTDULWLVNLSOT-KBXCAEBGSA-N 1 1 358.394 3.155 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000451964301 501409599 /nfs/dbraw/zinc/40/95/99/501409599.db2.gz IWARIPALRJMJPN-SFHVURJKSA-N 1 1 363.483 3.451 20 5 FGBDMO Cc1cc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)cc(N2CCCC2)n1 ZINC000602667589 506253912 /nfs/dbraw/zinc/25/39/12/506253912.db2.gz QASSRKQDGQCBAH-UHFFFAOYSA-N 1 1 367.409 3.329 20 5 FGBDMO Cc1ccc([C@@H](C)NC(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000458523365 501465824 /nfs/dbraw/zinc/46/58/24/501465824.db2.gz WBJACDANDBQQHD-UKRRQHHQSA-N 1 1 360.458 3.090 20 5 FGBDMO C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456351260 501506794 /nfs/dbraw/zinc/50/67/94/501506794.db2.gz WPERWOBPFAPNAQ-OAHLLOKOSA-N 1 1 371.412 3.328 20 5 FGBDMO CCOc1cc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)ccc1O ZINC000459324466 501631096 /nfs/dbraw/zinc/63/10/96/501631096.db2.gz KEJLHBMCOKLDAQ-UHFFFAOYSA-N 1 1 357.410 3.021 20 5 FGBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3cnc(C4CC4)nc3)CC2)cc1 ZINC000459361482 501639122 /nfs/dbraw/zinc/63/91/22/501639122.db2.gz GNGAJIYFJUCXJN-UHFFFAOYSA-N 1 1 354.410 3.306 20 5 FGBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000457093385 501649329 /nfs/dbraw/zinc/64/93/29/501649329.db2.gz OCLHZZNZWDMSHF-LBPRGKRZSA-N 1 1 359.348 3.168 20 5 FGBDMO C[C@H]([NH2+][C@@H](C)c1cncc(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000459623313 501688714 /nfs/dbraw/zinc/68/87/14/501688714.db2.gz QSTRBHWRBPKBCR-UWVGGRQHSA-N 1 1 366.780 3.460 20 5 FGBDMO C[C@@H]([NH2+][C@H](C)c1nc2c(s1)CCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000459637394 501690904 /nfs/dbraw/zinc/69/09/04/501690904.db2.gz RQTNELFOWSLWEF-GHMZBOCLSA-N 1 1 360.439 3.218 20 5 FGBDMO COCC[C@@H]1CCCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000467266691 501752551 /nfs/dbraw/zinc/75/25/51/501752551.db2.gz UGQWHIOBCXHQBM-CVEARBPZSA-N 1 1 363.458 3.369 20 5 FGBDMO CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470676583 501763989 /nfs/dbraw/zinc/76/39/89/501763989.db2.gz DKGPOTASNDMTAW-SFHVURJKSA-N 1 1 371.412 3.471 20 5 FGBDMO COC(=O)[C@H]1C[C@H](C)CC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000481522322 501800959 /nfs/dbraw/zinc/80/09/59/501800959.db2.gz PXZNUXSIFJGBFK-CZUORRHYSA-N 1 1 373.409 3.066 20 5 FGBDMO COC(=O)[C@H]1C[C@H](C)CC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000481522322 501800962 /nfs/dbraw/zinc/80/09/62/501800962.db2.gz PXZNUXSIFJGBFK-CZUORRHYSA-N 1 1 373.409 3.066 20 5 FGBDMO CCOc1cc(N2CC[NH+](Cc3cncc(C)c3)CC2)ccc1[N+](=O)[O-] ZINC000481772394 501879736 /nfs/dbraw/zinc/87/97/36/501879736.db2.gz ANWWVNYHTXSUON-UHFFFAOYSA-N 1 1 356.426 3.019 20 5 FGBDMO CSc1ccccc1C[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000470999221 501888704 /nfs/dbraw/zinc/88/87/04/501888704.db2.gz SZDXNEKLMABSAG-MRXNPFEDSA-N 1 1 362.451 3.188 20 5 FGBDMO COc1cc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000471011243 501891639 /nfs/dbraw/zinc/89/16/39/501891639.db2.gz IRIFSNXYUFVZGI-KDURUIRLSA-N 1 1 367.449 3.167 20 5 FGBDMO CN(c1nc2sccn2c1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474783968 501951832 /nfs/dbraw/zinc/95/18/32/501951832.db2.gz ILQUQLSPBMLFKV-CQSZACIVSA-N 1 1 357.439 3.015 20 5 FGBDMO C[C@H](CNc1ncc(Br)cc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000474785277 501951982 /nfs/dbraw/zinc/95/19/82/501951982.db2.gz RSZSJOPKKAUBIE-GHMZBOCLSA-N 1 1 357.252 3.427 20 5 FGBDMO CCC1(CC)C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCS1 ZINC000464575001 502031645 /nfs/dbraw/zinc/03/16/45/502031645.db2.gz LTWOEALTWXTORL-UHFFFAOYSA-N 1 1 363.483 3.092 20 5 FGBDMO CCC1(CC)C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCS1 ZINC000464575001 502031648 /nfs/dbraw/zinc/03/16/48/502031648.db2.gz LTWOEALTWXTORL-UHFFFAOYSA-N 1 1 363.483 3.092 20 5 FGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000602764598 506290482 /nfs/dbraw/zinc/29/04/82/506290482.db2.gz DXGLOWIEGYLDQW-HKUYNNGSSA-N 1 1 358.442 3.199 20 5 FGBDMO Cc1c(NC(=O)CC[N@@H+](C)CCOCc2ccccc2)cccc1[N+](=O)[O-] ZINC000464849071 502117986 /nfs/dbraw/zinc/11/79/86/502117986.db2.gz KHTUNPOTZIUJBS-UHFFFAOYSA-N 1 1 371.437 3.380 20 5 FGBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000486424006 502149862 /nfs/dbraw/zinc/14/98/62/502149862.db2.gz UEHBUAMZIDRRAE-MRXNPFEDSA-N 1 1 361.486 3.499 20 5 FGBDMO COc1cc(Cl)ccc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000482787664 502181637 /nfs/dbraw/zinc/18/16/37/502181637.db2.gz MCNSEIGTPDNUBJ-AWEZNQCLSA-N 1 1 362.817 3.338 20 5 FGBDMO COc1cc(Cl)ccc1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000482787664 502181643 /nfs/dbraw/zinc/18/16/43/502181643.db2.gz MCNSEIGTPDNUBJ-AWEZNQCLSA-N 1 1 362.817 3.338 20 5 FGBDMO Cc1cc(N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461783340 502200474 /nfs/dbraw/zinc/20/04/74/502200474.db2.gz DRXTXZLNBOCDRW-VXGBXAGGSA-N 1 1 361.364 3.443 20 5 FGBDMO CC(C)c1[nH+]ccn1CCC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000482875452 502205234 /nfs/dbraw/zinc/20/52/34/502205234.db2.gz AJTKSGDMXNNJRP-UHFFFAOYSA-N 1 1 364.833 3.317 20 5 FGBDMO Cc1cc(N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461876720 502220670 /nfs/dbraw/zinc/22/06/70/502220670.db2.gz IUOGCLQFJPNJKX-TZMCWYRMSA-N 1 1 373.375 3.221 20 5 FGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](CC(N)=O)c1ccccc1 ZINC000483117316 502279084 /nfs/dbraw/zinc/27/90/84/502279084.db2.gz GUDSKYKLNUPDKG-GOSISDBHSA-N 1 1 371.437 3.431 20 5 FGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H](CC(N)=O)c1ccccc1 ZINC000483117316 502279089 /nfs/dbraw/zinc/27/90/89/502279089.db2.gz GUDSKYKLNUPDKG-GOSISDBHSA-N 1 1 371.437 3.431 20 5 FGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000602798611 506304281 /nfs/dbraw/zinc/30/42/81/506304281.db2.gz MANVJWFWSNLABA-OAHLLOKOSA-N 1 1 368.441 3.164 20 5 FGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000602798611 506304284 /nfs/dbraw/zinc/30/42/84/506304284.db2.gz MANVJWFWSNLABA-OAHLLOKOSA-N 1 1 368.441 3.164 20 5 FGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000602798611 506304286 /nfs/dbraw/zinc/30/42/86/506304286.db2.gz MANVJWFWSNLABA-OAHLLOKOSA-N 1 1 368.441 3.164 20 5 FGBDMO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000487014606 502331842 /nfs/dbraw/zinc/33/18/42/502331842.db2.gz UUJOWDIPFYTHEC-SFHVURJKSA-N 1 1 367.449 3.198 20 5 FGBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+](CC1CC1)CC1CCC1 ZINC000483265194 502332954 /nfs/dbraw/zinc/33/29/54/502332954.db2.gz HQHLQAVWEVAKPH-UHFFFAOYSA-N 1 1 359.426 3.405 20 5 FGBDMO NC(=O)c1csc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000487180182 502382723 /nfs/dbraw/zinc/38/27/23/502382723.db2.gz KHLNDAAIVOCJJP-UHFFFAOYSA-N 1 1 359.329 3.064 20 5 FGBDMO COCC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@@H]1CC=CCC1 ZINC000483492388 502409737 /nfs/dbraw/zinc/40/97/37/502409737.db2.gz TVFKTSRXOPLEAV-OAHLLOKOSA-N 1 1 362.426 3.266 20 5 FGBDMO CCOC(=O)[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000483494974 502410937 /nfs/dbraw/zinc/41/09/37/502410937.db2.gz WZUIXDFABDDKGI-AWEZNQCLSA-N 1 1 350.415 3.157 20 5 FGBDMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000483494974 502410941 /nfs/dbraw/zinc/41/09/41/502410941.db2.gz WZUIXDFABDDKGI-AWEZNQCLSA-N 1 1 350.415 3.157 20 5 FGBDMO CC[N@@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000462482674 502458280 /nfs/dbraw/zinc/45/82/80/502458280.db2.gz HVAJEDSJGXVMKB-KRWDZBQOSA-N 1 1 370.453 3.347 20 5 FGBDMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000483761255 502485811 /nfs/dbraw/zinc/48/58/11/502485811.db2.gz SYZPVSRDRWQPON-UHFFFAOYSA-N 1 1 358.373 3.082 20 5 FGBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466213464 502505407 /nfs/dbraw/zinc/50/54/07/502505407.db2.gz AMBUPJRYUDBWCS-CQSZACIVSA-N 1 1 368.865 3.312 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@]3(CCCOC3)C2)cccc1[N+](=O)[O-] ZINC000477046162 502659472 /nfs/dbraw/zinc/65/94/72/502659472.db2.gz FSJQNHBOVRLCPX-KXBFYZLASA-N 1 1 361.442 3.123 20 5 FGBDMO CCC1CCC([N@@H+](CCO)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000488227801 502664752 /nfs/dbraw/zinc/66/47/52/502664752.db2.gz DZPMPCHFAQYOCD-UHFFFAOYSA-N 1 1 374.441 3.408 20 5 FGBDMO COc1ccc([C@H](C)[N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000484562866 502670450 /nfs/dbraw/zinc/67/04/50/502670450.db2.gz BMFXLELELIMJJV-WMLDXEAASA-N 1 1 360.410 3.036 20 5 FGBDMO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(Br)cc1Cl ZINC000484572776 502673416 /nfs/dbraw/zinc/67/34/16/502673416.db2.gz NQXGHRNZNWHDSH-UHFFFAOYSA-N 1 1 373.638 3.339 20 5 FGBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(Br)cc1Cl ZINC000484572776 502673421 /nfs/dbraw/zinc/67/34/21/502673421.db2.gz NQXGHRNZNWHDSH-UHFFFAOYSA-N 1 1 373.638 3.339 20 5 FGBDMO Cc1ccc(N2CCC(NC(=O)Nc3cc(F)cc([N+](=O)[O-])c3)CC2)[nH+]c1 ZINC000470143360 502677072 /nfs/dbraw/zinc/67/70/72/502677072.db2.gz JNDVIYIFHAOPFH-UHFFFAOYSA-N 1 1 373.388 3.228 20 5 FGBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000470151017 502680641 /nfs/dbraw/zinc/68/06/41/502680641.db2.gz JWMMKYQOIGIHPU-GFCCVEGCSA-N 1 1 352.410 3.366 20 5 FGBDMO Cc1cc(N2CCC[C@H]([NH+]3CCOCC3)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000596247149 506328554 /nfs/dbraw/zinc/32/85/54/506328554.db2.gz LKFWMPMLYXSHSK-ZDUSSCGKSA-N 1 1 373.375 3.223 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000470174900 502695149 /nfs/dbraw/zinc/69/51/49/502695149.db2.gz NSDMVWFLMFTXOO-FERCGXDMSA-N 1 1 369.421 3.372 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000470174900 502695152 /nfs/dbraw/zinc/69/51/52/502695152.db2.gz NSDMVWFLMFTXOO-FERCGXDMSA-N 1 1 369.421 3.372 20 5 FGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(c2nc(C)cc(C)n2)CC1 ZINC000470216406 502706843 /nfs/dbraw/zinc/70/68/43/502706843.db2.gz SHCFXUISKWUWKX-PTNGSMBKSA-N 1 1 367.453 3.227 20 5 FGBDMO CC(C)[C@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@H+]1C ZINC000488562603 502751883 /nfs/dbraw/zinc/75/18/83/502751883.db2.gz RZWYVIJQKLOMBD-QGZVFWFLSA-N 1 1 360.483 3.490 20 5 FGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[N@@H+](C)[C@H](C(C)(C)C)C1 ZINC000602872992 506332242 /nfs/dbraw/zinc/33/22/42/506332242.db2.gz FZWVFYUPYHTQCN-BBRMVZONSA-N 1 1 373.457 3.368 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[N@@H+](C)[C@H](C(C)(C)C)C1 ZINC000602872993 506332392 /nfs/dbraw/zinc/33/23/92/506332392.db2.gz FZWVFYUPYHTQCN-CJNGLKHVSA-N 1 1 373.457 3.368 20 5 FGBDMO C[C@@H]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000467043518 502769570 /nfs/dbraw/zinc/76/95/70/502769570.db2.gz DRSAMBVOJPNJBU-DYVFJYSZSA-N 1 1 357.385 3.127 20 5 FGBDMO COCC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CC[C@H](C)C1 ZINC000484900450 502769947 /nfs/dbraw/zinc/76/99/47/502769947.db2.gz VOCSHFNGGSVHMH-BBRMVZONSA-N 1 1 360.414 3.282 20 5 FGBDMO COC(=O)Cc1ccc(NC[C@@H]2CC[N@H+]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000599126447 506333555 /nfs/dbraw/zinc/33/35/55/506333555.db2.gz HFPIUCWUNPZXTL-INIZCTEOSA-N 1 1 361.442 3.129 20 5 FGBDMO CC[N@@H+]1[C@H](C)CN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C ZINC000602874845 506333890 /nfs/dbraw/zinc/33/38/90/506333890.db2.gz TXJQSQDTUSSNCX-MJBXVCDLSA-N 1 1 359.430 3.120 20 5 FGBDMO O=[N+]([O-])c1cc(N2CCC([N@H+]3CCCOCC3)CC2)ccc1C(F)(F)F ZINC000596268428 506334901 /nfs/dbraw/zinc/33/49/01/506334901.db2.gz KJSKHMMKIZXMEO-UHFFFAOYSA-N 1 1 373.375 3.305 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)NCC[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000489317149 502927214 /nfs/dbraw/zinc/92/72/14/502927214.db2.gz GMZCLLKXHULKBY-INIZCTEOSA-N 1 1 370.453 3.395 20 5 FGBDMO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501128995 502945916 /nfs/dbraw/zinc/94/59/16/502945916.db2.gz TYFRUSABOWPZCV-DNVCBOLYSA-N 1 1 369.421 3.385 20 5 FGBDMO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501128995 502945918 /nfs/dbraw/zinc/94/59/18/502945918.db2.gz TYFRUSABOWPZCV-DNVCBOLYSA-N 1 1 369.421 3.385 20 5 FGBDMO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCN(c2ccccc2)C1=O ZINC000513497145 502953669 /nfs/dbraw/zinc/95/36/69/502953669.db2.gz RLRZDBDQINVHBR-XSBJJCPUSA-N 1 1 351.406 3.345 20 5 FGBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCN(c2ccccc2)C1=O ZINC000513497145 502953673 /nfs/dbraw/zinc/95/36/73/502953673.db2.gz RLRZDBDQINVHBR-XSBJJCPUSA-N 1 1 351.406 3.345 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000489451795 502962272 /nfs/dbraw/zinc/96/22/72/502962272.db2.gz SJZZWRMKYPGVSV-JXSMBQFASA-N 1 1 374.485 3.336 20 5 FGBDMO Cc1c(C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000501227839 502962726 /nfs/dbraw/zinc/96/27/26/502962726.db2.gz LRKWHLLQZDSVGQ-WBVHZDCISA-N 1 1 353.422 3.469 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](C)c2cn(C(C)(C)C)nc2C)c1 ZINC000593025891 506343956 /nfs/dbraw/zinc/34/39/56/506343956.db2.gz UOVXWWQQYASEJN-GFCCVEGCSA-N 1 1 374.441 3.492 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCCCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000497542756 502983702 /nfs/dbraw/zinc/98/37/02/502983702.db2.gz HUCAMPPTZZQNGB-CQSZACIVSA-N 1 1 369.487 3.065 20 5 FGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505862621 503000948 /nfs/dbraw/zinc/00/09/48/503000948.db2.gz MUAVPEBXENQYCO-HOTGVXAUSA-N 1 1 369.421 3.323 20 5 FGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505862621 503000952 /nfs/dbraw/zinc/00/09/52/503000952.db2.gz MUAVPEBXENQYCO-HOTGVXAUSA-N 1 1 369.421 3.323 20 5 FGBDMO O=C(c1ccccc1)c1ccc(N[C@H]2CCn3cc[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000489932129 503068687 /nfs/dbraw/zinc/06/86/87/503068687.db2.gz CPPDYFXYNCIRJN-INIZCTEOSA-N 1 1 362.389 3.449 20 5 FGBDMO COCCN1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000506245646 503077457 /nfs/dbraw/zinc/07/74/57/503077457.db2.gz JWNYWQQAPSUAID-UHFFFAOYSA-N 1 1 361.467 3.087 20 5 FGBDMO COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000510243192 503078356 /nfs/dbraw/zinc/07/83/56/503078356.db2.gz OBLVFTQAGHEJIK-YJBOKZPZSA-N 1 1 371.437 3.238 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCCN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000514086878 503083711 /nfs/dbraw/zinc/08/37/11/503083711.db2.gz DKIRWULKWAAOJU-LPHOPBHVSA-N 1 1 371.485 3.272 20 5 FGBDMO COCC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CC=CCC1 ZINC000501876308 503099944 /nfs/dbraw/zinc/09/99/44/503099944.db2.gz YLPQIYMDYXSDMT-MRXNPFEDSA-N 1 1 361.442 3.228 20 5 FGBDMO Cc1ccccc1C[C@@H]1CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000514177088 503105306 /nfs/dbraw/zinc/10/53/06/503105306.db2.gz AMAOYWCJCHIEIM-AZUAARDMSA-N 1 1 370.449 3.350 20 5 FGBDMO CCOc1cc(NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000490139014 503115588 /nfs/dbraw/zinc/11/55/88/503115588.db2.gz IWVDIICOTFEIGN-GASCZTMLSA-N 1 1 351.447 3.295 20 5 FGBDMO C[C@]1(c2cccc(F)c2)CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000593039059 506352956 /nfs/dbraw/zinc/35/29/56/506352956.db2.gz CBNMHOJZRCXTMI-XLIONFOSSA-N 1 1 374.412 3.137 20 5 FGBDMO Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000498162022 503121526 /nfs/dbraw/zinc/12/15/26/503121526.db2.gz XMDSCGVXAUXCQK-SFHVURJKSA-N 1 1 353.422 3.298 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000506635725 503147382 /nfs/dbraw/zinc/14/73/82/503147382.db2.gz MCQZVTRMDRZFHE-STQMWFEESA-N 1 1 351.472 3.309 20 5 FGBDMO CCn1nc(C)c(C[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1C ZINC000602925350 506355006 /nfs/dbraw/zinc/35/50/06/506355006.db2.gz LIFPPDNJZNOPNE-UHFFFAOYSA-N 1 1 373.457 3.197 20 5 FGBDMO CN(CCC[NH3+])Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000582666655 506355260 /nfs/dbraw/zinc/35/52/60/506355260.db2.gz YJOKZHWQZKBSBT-UHFFFAOYSA-N 1 1 365.437 3.228 20 5 FGBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C ZINC000498572631 503215899 /nfs/dbraw/zinc/21/58/99/503215899.db2.gz QAIGCEMAZZOHAM-CHWSQXEVSA-N 1 1 374.466 3.273 20 5 FGBDMO Cc1cccc(OC[C@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000490827715 503233443 /nfs/dbraw/zinc/23/34/43/503233443.db2.gz OHPFYHBUYUCSOP-LJQANCHMSA-N 1 1 356.422 3.308 20 5 FGBDMO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511067689 503245746 /nfs/dbraw/zinc/24/57/46/503245746.db2.gz WNWXCFYLFZVCDP-SFHVURJKSA-N 1 1 371.437 3.495 20 5 FGBDMO CCOc1ccc(NC(=O)[C@H](C)[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000511090677 503251794 /nfs/dbraw/zinc/25/17/94/503251794.db2.gz JTIANCKTPCVELU-HNNXBMFYSA-N 1 1 371.437 3.495 20 5 FGBDMO CCOc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000511090677 503251798 /nfs/dbraw/zinc/25/17/98/503251798.db2.gz JTIANCKTPCVELU-HNNXBMFYSA-N 1 1 371.437 3.495 20 5 FGBDMO C[N@@H+](CCC(=O)N1CCc2ccccc2C1)CCc1ccccc1[N+](=O)[O-] ZINC000511146553 503268815 /nfs/dbraw/zinc/26/88/15/503268815.db2.gz YLRDLZXJRRWEKC-UHFFFAOYSA-N 1 1 367.449 3.044 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000491114654 503275132 /nfs/dbraw/zinc/27/51/32/503275132.db2.gz ACOFJRJVZYNUGW-IEBWSBKVSA-N 1 1 367.449 3.434 20 5 FGBDMO O=C1[C@@H]([N@H+]2CCCc3ccccc3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000498920768 503294282 /nfs/dbraw/zinc/29/42/82/503294282.db2.gz ZECSQYQSFOBZEB-IBGZPJMESA-N 1 1 351.406 3.149 20 5 FGBDMO Cc1cc(N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000511453971 503324494 /nfs/dbraw/zinc/32/44/94/503324494.db2.gz MGODCJSLDKENAT-UHFFFAOYSA-N 1 1 368.481 3.157 20 5 FGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000511633079 503358888 /nfs/dbraw/zinc/35/88/88/503358888.db2.gz ZJMXKKZEBOHCKO-CEXWTWQISA-N 1 1 368.433 3.478 20 5 FGBDMO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000503208433 503367978 /nfs/dbraw/zinc/36/79/78/503367978.db2.gz LAADWFMNYKTRHY-MRXNPFEDSA-N 1 1 371.437 3.125 20 5 FGBDMO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000503208433 503367982 /nfs/dbraw/zinc/36/79/82/503367982.db2.gz LAADWFMNYKTRHY-MRXNPFEDSA-N 1 1 371.437 3.125 20 5 FGBDMO CCOc1cc(C[NH+]2CCC(Oc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000492725116 503382133 /nfs/dbraw/zinc/38/21/33/503382133.db2.gz VTBZJTARZXXARJ-UHFFFAOYSA-N 1 1 357.410 3.432 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000511895786 503409565 /nfs/dbraw/zinc/40/95/65/503409565.db2.gz LZGRUMJXSRDHLC-OTWHNJEPSA-N 1 1 353.422 3.025 20 5 FGBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000516103227 503446548 /nfs/dbraw/zinc/44/65/48/503446548.db2.gz COVJQNMDJOHVEJ-WMZOPIPTSA-N 1 1 373.497 3.496 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000508615919 503529882 /nfs/dbraw/zinc/52/98/82/503529882.db2.gz AGPKXABMUKKJCW-MRXNPFEDSA-N 1 1 369.421 3.358 20 5 FGBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000508758343 503559837 /nfs/dbraw/zinc/55/98/37/503559837.db2.gz ILSYULUZXKUMQM-MJBXVCDLSA-N 1 1 359.426 3.437 20 5 FGBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000516709142 503574710 /nfs/dbraw/zinc/57/47/10/503574710.db2.gz HDIPQWMVAAWGFL-MAUKXSAKSA-N 1 1 368.437 3.230 20 5 FGBDMO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+]1CC[C@H](C)C1 ZINC000494801100 503612979 /nfs/dbraw/zinc/61/29/79/503612979.db2.gz SFHBKOGIMQXGOL-NWDGAFQWSA-N 1 1 360.439 3.387 20 5 FGBDMO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+]1CC[C@H](C)C1 ZINC000494801100 503612976 /nfs/dbraw/zinc/61/29/76/503612976.db2.gz SFHBKOGIMQXGOL-NWDGAFQWSA-N 1 1 360.439 3.387 20 5 FGBDMO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000500479071 503633020 /nfs/dbraw/zinc/63/30/20/503633020.db2.gz NEZGTFWUNZHRKX-CZUORRHYSA-N 1 1 373.457 3.102 20 5 FGBDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000532979132 503684644 /nfs/dbraw/zinc/68/46/44/503684644.db2.gz YIYWXZVUHVNIKL-SFHVURJKSA-N 1 1 367.449 3.437 20 5 FGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000533053936 503715364 /nfs/dbraw/zinc/71/53/64/503715364.db2.gz SIVRLXCPJIZCHZ-FCEWJHQRSA-N 1 1 374.485 3.261 20 5 FGBDMO C[C@H](NC(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000540334202 503740540 /nfs/dbraw/zinc/74/05/40/503740540.db2.gz XYNADRPFLILZBA-HOTGVXAUSA-N 1 1 370.453 3.476 20 5 FGBDMO C[C@@H](CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C)C1 ZINC000517599977 503782202 /nfs/dbraw/zinc/78/22/02/503782202.db2.gz SRQFAWHZDADJMA-JTDSTZFVSA-N 1 1 371.485 3.128 20 5 FGBDMO COc1ccc(C[NH+]2CCC([C@](C)(O)C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000546639378 503818716 /nfs/dbraw/zinc/81/87/16/503818716.db2.gz ZTQYJPGBJAWQMC-HNNXBMFYSA-N 1 1 362.348 3.129 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])C1CC1 ZINC000518233395 503932648 /nfs/dbraw/zinc/93/26/48/503932648.db2.gz UBDKWONZRQSHOA-GOSISDBHSA-N 1 1 368.437 3.016 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000537697039 504009363 /nfs/dbraw/zinc/00/93/63/504009363.db2.gz LVCQIQPIDFCZEM-CHWSQXEVSA-N 1 1 356.369 3.445 20 5 FGBDMO Cc1ccc(C[C@@H]2CCC[N@H+]2C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000544143753 504025325 /nfs/dbraw/zinc/02/53/25/504025325.db2.gz JEDNRYMZMHRIDH-OALUTQOASA-N 1 1 370.449 3.350 20 5 FGBDMO CC(C)[N@H+](Cc1cccs1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000541280464 504072577 /nfs/dbraw/zinc/07/25/77/504072577.db2.gz BURATRNIQNETML-CQSZACIVSA-N 1 1 350.440 3.307 20 5 FGBDMO Cc1ccccc1C[C@@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000541347837 504100126 /nfs/dbraw/zinc/10/01/26/504100126.db2.gz SNODBBHBWFDXJK-OALUTQOASA-N 1 1 370.449 3.350 20 5 FGBDMO CC(C)CC[C@@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000541350550 504102522 /nfs/dbraw/zinc/10/25/22/504102522.db2.gz LQHCLBCFHXQDRS-HNNXBMFYSA-N 1 1 354.472 3.269 20 5 FGBDMO CC(C)CC[C@@H]1CCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000541350550 504102527 /nfs/dbraw/zinc/10/25/27/504102527.db2.gz LQHCLBCFHXQDRS-HNNXBMFYSA-N 1 1 354.472 3.269 20 5 FGBDMO Cc1cc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000547449761 504108900 /nfs/dbraw/zinc/10/89/00/504108900.db2.gz FMNHJPPMJGCZOO-QGZVFWFLSA-N 1 1 354.410 3.299 20 5 FGBDMO C[C@H](NC(=O)NCC[N@@H+](C)Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000538146191 504145771 /nfs/dbraw/zinc/14/57/71/504145771.db2.gz WZDOJURHFVHHRK-HNNXBMFYSA-N 1 1 356.426 3.087 20 5 FGBDMO CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000541785681 504254218 /nfs/dbraw/zinc/25/42/18/504254218.db2.gz YPKWVUZFSMBFIX-CYBMUJFWSA-N 1 1 361.377 3.189 20 5 FGBDMO CN1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c2ccc[nH+]c21 ZINC000538666883 504319800 /nfs/dbraw/zinc/31/98/00/504319800.db2.gz BEVNYJHPMUPOEE-UHFFFAOYSA-N 1 1 351.366 3.101 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cc4cc(F)ccc4o3)CC2)cn1 ZINC000535072470 504335747 /nfs/dbraw/zinc/33/57/47/504335747.db2.gz BCVBWTYRBRFAPB-UHFFFAOYSA-N 1 1 356.357 3.197 20 5 FGBDMO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000531614686 504364527 /nfs/dbraw/zinc/36/45/27/504364527.db2.gz GHVOUHYBOQRRNN-HNNXBMFYSA-N 1 1 364.442 3.417 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000545197460 504393060 /nfs/dbraw/zinc/39/30/60/504393060.db2.gz KSQIMBDPDBPMQP-OXQOHEQNSA-N 1 1 367.449 3.466 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000545197460 504393063 /nfs/dbraw/zinc/39/30/63/504393063.db2.gz KSQIMBDPDBPMQP-OXQOHEQNSA-N 1 1 367.449 3.466 20 5 FGBDMO C[N@H+](CCCc1ccccc1)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000535328778 504403706 /nfs/dbraw/zinc/40/37/06/504403706.db2.gz CFVOULLOPMNYHL-UHFFFAOYSA-N 1 1 369.421 3.457 20 5 FGBDMO CC(C)[N@H+](Cc1ccc(F)cc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000520183381 504429446 /nfs/dbraw/zinc/42/94/46/504429446.db2.gz WJWSCXNFBJNWMT-SFHVURJKSA-N 1 1 362.401 3.384 20 5 FGBDMO CN(C)c1noc([C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)n1 ZINC000548925307 504622429 /nfs/dbraw/zinc/62/24/29/504622429.db2.gz QOBBTLWHZKLURL-GFCCVEGCSA-N 1 1 365.821 3.077 20 5 FGBDMO CN(C)c1noc([C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)n1 ZINC000548925307 504622433 /nfs/dbraw/zinc/62/24/33/504622433.db2.gz QOBBTLWHZKLURL-GFCCVEGCSA-N 1 1 365.821 3.077 20 5 FGBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000521458683 504741712 /nfs/dbraw/zinc/74/17/12/504741712.db2.gz JJHHBAYXAIUTEQ-IBGZPJMESA-N 1 1 367.449 3.118 20 5 FGBDMO CCOc1ccc(C[N@H+](C)[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000532761759 504753434 /nfs/dbraw/zinc/75/34/34/504753434.db2.gz VPJCEZZCJKYDRV-IBGZPJMESA-N 1 1 369.421 3.231 20 5 FGBDMO CCOc1ccc(C[N@@H+](C)[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000532761759 504753436 /nfs/dbraw/zinc/75/34/36/504753436.db2.gz VPJCEZZCJKYDRV-IBGZPJMESA-N 1 1 369.421 3.231 20 5 FGBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000552965125 504795448 /nfs/dbraw/zinc/79/54/48/504795448.db2.gz OARYJYDVUBOXSA-SFHVURJKSA-N 1 1 353.422 3.075 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@H](OC(F)F)C3)o2)c1 ZINC000549414425 504815473 /nfs/dbraw/zinc/81/54/73/504815473.db2.gz TWECKFCPGICMEN-ZDUSSCGKSA-N 1 1 353.325 3.106 20 5 FGBDMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000565505014 504906814 /nfs/dbraw/zinc/90/68/14/504906814.db2.gz KONYYWGIIKQTEM-QGZVFWFLSA-N 1 1 357.410 3.285 20 5 FGBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C1CCC(F)(F)CC1 ZINC000554310788 505142368 /nfs/dbraw/zinc/14/23/68/505142368.db2.gz SCRJQWZHZSCFIN-UHFFFAOYSA-N 1 1 369.368 3.403 20 5 FGBDMO CN1CC[NH+](Cc2ccc(CNc3c(F)cccc3[N+](=O)[O-])cc2)CC1 ZINC000557494190 505149693 /nfs/dbraw/zinc/14/96/93/505149693.db2.gz FEROHYZKIOLYIS-UHFFFAOYSA-N 1 1 358.417 3.093 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cc(S(C)(=O)=O)ccc1F ZINC000554556768 505206138 /nfs/dbraw/zinc/20/61/38/505206138.db2.gz WKUUXNVGINSBBP-GFCCVEGCSA-N 1 1 366.414 3.297 20 5 FGBDMO Cc1c(NC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000557900342 505258432 /nfs/dbraw/zinc/25/84/32/505258432.db2.gz BHMHBVWIMOPAPA-SFHVURJKSA-N 1 1 354.410 3.424 20 5 FGBDMO Cc1c(NC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000557900342 505258437 /nfs/dbraw/zinc/25/84/37/505258437.db2.gz BHMHBVWIMOPAPA-SFHVURJKSA-N 1 1 354.410 3.424 20 5 FGBDMO CCC[N@@H+](CC)C[C@H](C)N[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000555005417 505326230 /nfs/dbraw/zinc/32/62/30/505326230.db2.gz NSGIWATYQWREQF-YJBOKZPZSA-N 1 1 359.474 3.128 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+](C)CCc2ccccc2O)cccc1[N+](=O)[O-] ZINC000558178658 505328108 /nfs/dbraw/zinc/32/81/08/505328108.db2.gz SDFAILVEPYRFAK-UHFFFAOYSA-N 1 1 357.410 3.112 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](c3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000567046336 505347048 /nfs/dbraw/zinc/34/70/48/505347048.db2.gz ZDAYFLRSVLDEME-ZBFHGGJFSA-N 1 1 354.410 3.115 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@H](c3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000567046336 505347052 /nfs/dbraw/zinc/34/70/52/505347052.db2.gz ZDAYFLRSVLDEME-ZBFHGGJFSA-N 1 1 354.410 3.115 20 5 FGBDMO CC[N@H+]1CC[C@H]2OCCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@H]2C1 ZINC000552103758 505401544 /nfs/dbraw/zinc/40/15/44/505401544.db2.gz AVGFZJWCSHQEDM-AZUAARDMSA-N 1 1 371.437 3.150 20 5 FGBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000558490259 505406461 /nfs/dbraw/zinc/40/64/61/505406461.db2.gz YGYTYWYMFXXHDE-NSHDSACASA-N 1 1 374.388 3.438 20 5 FGBDMO CC[C@@H]1CN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000552161998 505418725 /nfs/dbraw/zinc/41/87/25/505418725.db2.gz AAJYNGIEFQQPGX-MRXNPFEDSA-N 1 1 369.421 3.037 20 5 FGBDMO CC[C@@H]1CN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000552161998 505418728 /nfs/dbraw/zinc/41/87/28/505418728.db2.gz AAJYNGIEFQQPGX-MRXNPFEDSA-N 1 1 369.421 3.037 20 5 FGBDMO CCNC(=O)C[C@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000555509948 505443802 /nfs/dbraw/zinc/44/38/02/505443802.db2.gz BNONAJUAKCVOJP-CYBMUJFWSA-N 1 1 373.375 3.494 20 5 FGBDMO O=C1[C@H]([N@@H+]2CC[C@H](c3ccccc3F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000555582662 505463115 /nfs/dbraw/zinc/46/31/15/505463115.db2.gz GDXSQEVPTXMRRG-IFXJQAMLSA-N 1 1 369.396 3.329 20 5 FGBDMO O=C1[C@H]([N@H+]2CC[C@H](c3ccccc3F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000555582662 505463120 /nfs/dbraw/zinc/46/31/20/505463120.db2.gz GDXSQEVPTXMRRG-IFXJQAMLSA-N 1 1 369.396 3.329 20 5 FGBDMO COc1ccc(NC(=O)CC[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000558739373 505478623 /nfs/dbraw/zinc/47/86/23/505478623.db2.gz HYAWPMDUTGBXRN-UHFFFAOYSA-N 1 1 357.410 3.107 20 5 FGBDMO CNc1c(C(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)cccc1[N+](=O)[O-] ZINC000564774357 505516285 /nfs/dbraw/zinc/51/62/85/505516285.db2.gz UUDRWUKHACMFOA-UHFFFAOYSA-N 1 1 370.409 3.024 20 5 FGBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[N@H+]1CCC[C@@H](C)C1 ZINC000559048457 505556690 /nfs/dbraw/zinc/55/66/90/505556690.db2.gz BXVDZIODLCXSDO-NEPJUHHUSA-N 1 1 373.375 3.464 20 5 FGBDMO C[C@@H]1C[N@@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000593188323 506452919 /nfs/dbraw/zinc/45/29/19/506452919.db2.gz CRYXGMPJCITFAH-GMTAPVOTSA-N 1 1 359.348 3.167 20 5 FGBDMO CC1(C)C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccncc1 ZINC000596595224 506479422 /nfs/dbraw/zinc/47/94/22/506479422.db2.gz YUAZGJJPTBFYSM-SFHVURJKSA-N 1 1 354.410 3.402 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000589266868 506502272 /nfs/dbraw/zinc/50/22/72/506502272.db2.gz VUTJMUPWHDZDCY-SFHVURJKSA-N 1 1 372.421 3.273 20 5 FGBDMO CC(=O)Nc1ccc(-c2ccc(C[NH+]3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000596635439 506502485 /nfs/dbraw/zinc/50/24/85/506502485.db2.gz BIXWGXCVLZADRY-UHFFFAOYSA-N 1 1 355.394 3.052 20 5 FGBDMO C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599586893 506512505 /nfs/dbraw/zinc/51/25/05/506512505.db2.gz KCIWZXVDZSUCQL-RHSMWYFYSA-N 1 1 364.442 3.273 20 5 FGBDMO C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@H]1C(=O)OC(C)(C)C ZINC000599586116 506513455 /nfs/dbraw/zinc/51/34/55/506513455.db2.gz GNEQMAWFLHKGJW-HUUCEWRRSA-N 1 1 364.442 3.273 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000582988688 506525431 /nfs/dbraw/zinc/52/54/31/506525431.db2.gz MOKPDZHUSVZGQH-HXUWFJFHSA-N 1 1 374.412 3.170 20 5 FGBDMO COCC[C@@H]1CCCC[N@@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589511861 506574147 /nfs/dbraw/zinc/57/41/47/506574147.db2.gz BFIBMCJWXBRCRM-AWEZNQCLSA-N 1 1 350.415 3.020 20 5 FGBDMO COCC[N@@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])[C@H]1CC[C@@H](C)C1 ZINC000589512910 506574607 /nfs/dbraw/zinc/57/46/07/506574607.db2.gz PNUVMWOFYSMJDG-CJNGLKHVSA-N 1 1 350.415 3.018 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOc2cc(F)ccc2C1 ZINC000599685981 506580985 /nfs/dbraw/zinc/58/09/85/506580985.db2.gz BXGGHZMEZGGENA-UHFFFAOYSA-N 1 1 373.384 3.266 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCOc2cc(F)ccc2C1 ZINC000599685981 506580986 /nfs/dbraw/zinc/58/09/86/506580986.db2.gz BXGGHZMEZGGENA-UHFFFAOYSA-N 1 1 373.384 3.266 20 5 FGBDMO CC(C)C[N@@H+](C)CCCNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000593422446 506612336 /nfs/dbraw/zinc/61/23/36/506612336.db2.gz LYMARSCLWDFVOS-UHFFFAOYSA-N 1 1 362.474 3.247 20 5 FGBDMO Cc1cccc(C[NH+]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000603822044 506625295 /nfs/dbraw/zinc/62/52/95/506625295.db2.gz AFHFQDXXCMNTFZ-UHFFFAOYSA-N 1 1 354.410 3.253 20 5 FGBDMO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC[N@H+]1C ZINC000599830368 506663717 /nfs/dbraw/zinc/66/37/17/506663717.db2.gz RLRBKORRLWODFS-STQMWFEESA-N 1 1 357.414 3.089 20 5 FGBDMO CCN(C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)[C@H]1CC[N@@H+](CC)C1 ZINC000599834104 506666483 /nfs/dbraw/zinc/66/64/83/506666483.db2.gz FTUOBQMULSGRJR-ZDUSSCGKSA-N 1 1 357.414 3.091 20 5 FGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000597120104 506787151 /nfs/dbraw/zinc/78/71/51/506787151.db2.gz CRQUKKSQWVJGCX-FQEVSTJZSA-N 1 1 356.422 3.437 20 5 FGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000597129581 506790908 /nfs/dbraw/zinc/79/09/08/506790908.db2.gz OFXLUWSCIMCIBL-LJQANCHMSA-N 1 1 356.422 3.437 20 5 FGBDMO COc1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1OC1CC1 ZINC000600155099 506809429 /nfs/dbraw/zinc/80/94/29/506809429.db2.gz BWGZYOBSLICPFH-UHFFFAOYSA-N 1 1 368.393 3.311 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@H](Cn3ccnn3)C2)s1 ZINC000597173058 506813203 /nfs/dbraw/zinc/81/32/03/506813203.db2.gz DCICIQXCNKJNLU-AWEZNQCLSA-N 1 1 369.450 3.437 20 5 FGBDMO COc1cccc([N+](=O)[O-])c1NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000583510535 506819258 /nfs/dbraw/zinc/81/92/58/506819258.db2.gz UVDVPKYNAKBXMR-OAHLLOKOSA-N 1 1 371.437 3.436 20 5 FGBDMO COc1cccc([N+](=O)[O-])c1NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000583510535 506819264 /nfs/dbraw/zinc/81/92/64/506819264.db2.gz UVDVPKYNAKBXMR-OAHLLOKOSA-N 1 1 371.437 3.436 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+](CCOCCO)C3CCC3)o2)cc1 ZINC000597206327 506836296 /nfs/dbraw/zinc/83/62/96/506836296.db2.gz NITOPFHBFHAPIG-UHFFFAOYSA-N 1 1 360.410 3.218 20 5 FGBDMO CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@H]1COc2ccccc2O1 ZINC000604472703 506840380 /nfs/dbraw/zinc/84/03/80/506840380.db2.gz BOPULSYGFDXIOM-KRWDZBQOSA-N 1 1 358.394 3.136 20 5 FGBDMO O=C(C[N@H+]1CCC[C@H]1c1ccc(O)cc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000604484260 506844761 /nfs/dbraw/zinc/84/47/61/506844761.db2.gz JZJUOIUFBAWCMR-SFHVURJKSA-N 1 1 367.405 3.027 20 5 FGBDMO O=C(C[N@@H+]1CCC[C@H]1c1ccc(O)cc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000604484260 506844766 /nfs/dbraw/zinc/84/47/66/506844766.db2.gz JZJUOIUFBAWCMR-SFHVURJKSA-N 1 1 367.405 3.027 20 5 FGBDMO CCC[N@@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)C1 ZINC000590577899 506866629 /nfs/dbraw/zinc/86/66/29/506866629.db2.gz INNZTPNJLFOVKR-GFCCVEGCSA-N 1 1 369.849 3.203 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@@H](c4ccccn4)C3)n2)cc1 ZINC000590599240 506874637 /nfs/dbraw/zinc/87/46/37/506874637.db2.gz CSELQZINCVCXRS-OAHLLOKOSA-N 1 1 365.393 3.419 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@H](c4ccccn4)C3)n2)cc1 ZINC000590599240 506874642 /nfs/dbraw/zinc/87/46/42/506874642.db2.gz CSELQZINCVCXRS-OAHLLOKOSA-N 1 1 365.393 3.419 20 5 FGBDMO Cc1cccc(CNC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000609536457 506912756 /nfs/dbraw/zinc/91/27/56/506912756.db2.gz HEUKWQXYHOSDSO-UHFFFAOYSA-N 1 1 355.438 3.430 20 5 FGBDMO Cc1cccc(CNC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000609536457 506912758 /nfs/dbraw/zinc/91/27/58/506912758.db2.gz HEUKWQXYHOSDSO-UHFFFAOYSA-N 1 1 355.438 3.430 20 5 FGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)cc1 ZINC000590748358 506935705 /nfs/dbraw/zinc/93/57/05/506935705.db2.gz QPHXYRWHESWSMW-WOJBJXKFSA-N 1 1 374.412 3.164 20 5 FGBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000600469446 506962345 /nfs/dbraw/zinc/96/23/45/506962345.db2.gz BDKWMRXWZMXHFF-ZDUSSCGKSA-N 1 1 371.359 3.360 20 5 FGBDMO COc1cc(C[N@@H+]2CCCOC(C)(C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000609766846 506993618 /nfs/dbraw/zinc/99/36/18/506993618.db2.gz YLDMQRUSMXJZNE-UHFFFAOYSA-N 1 1 360.357 3.206 20 5 FGBDMO COc1cc(C[N@H+]2CCCOC(C)(C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000609766846 506993621 /nfs/dbraw/zinc/99/36/21/506993621.db2.gz YLDMQRUSMXJZNE-UHFFFAOYSA-N 1 1 360.357 3.206 20 5 FGBDMO CC(C)N1CC[NH+](CCCSCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000600567685 507007703 /nfs/dbraw/zinc/00/77/03/507007703.db2.gz BAHFFAMMCZHEIW-UHFFFAOYSA-N 1 1 367.515 3.123 20 5 FGBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000609874612 507033627 /nfs/dbraw/zinc/03/36/27/507033627.db2.gz VXZYNGBYDSTNQU-UHFFFAOYSA-N 1 1 353.850 3.441 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000597713620 507071605 /nfs/dbraw/zinc/07/16/05/507071605.db2.gz DPBFPFLMSZTTDH-KSSFIOAISA-N 1 1 363.483 3.020 20 5 FGBDMO C[N@H+](Cc1ccccc1)C[C@H](O)COc1ccc([N+](=O)[O-])c2ncccc12 ZINC000613639347 507193041 /nfs/dbraw/zinc/19/30/41/507193041.db2.gz PGCKSMALVRRTIV-INIZCTEOSA-N 1 1 367.405 3.015 20 5 FGBDMO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000601037148 507236914 /nfs/dbraw/zinc/23/69/14/507236914.db2.gz PHTDUKFIJROXBO-MRXNPFEDSA-N 1 1 371.412 3.028 20 5 FGBDMO COc1ccc(C)cc1C[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000610476211 507254795 /nfs/dbraw/zinc/25/47/95/507254795.db2.gz WLHZITYVPYEKFX-UHFFFAOYSA-N 1 1 373.428 3.369 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC([C@H](O)C(F)(F)F)CC3)c2c1 ZINC000601130023 507270157 /nfs/dbraw/zinc/27/01/57/507270157.db2.gz CMQFKZSECSXCKD-HNNXBMFYSA-N 1 1 355.316 3.283 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[C@H]([C@H](O)C(F)(F)F)C3)c2c1 ZINC000601154494 507280853 /nfs/dbraw/zinc/28/08/53/507280853.db2.gz MIELGXACXVYDAP-BONVTDFDSA-N 1 1 355.316 3.283 20 5 FGBDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000598195583 507307982 /nfs/dbraw/zinc/30/79/82/507307982.db2.gz OVBDPSMLGKVIDS-GOSISDBHSA-N 1 1 371.412 3.123 20 5 FGBDMO CC(C)(C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000598220518 507324683 /nfs/dbraw/zinc/32/46/83/507324683.db2.gz QFFZRTMFHBHTFZ-HNNXBMFYSA-N 1 1 359.470 3.396 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)C1=O ZINC000595013070 507353390 /nfs/dbraw/zinc/35/33/90/507353390.db2.gz GUDIPORSOCUVAS-KDOFPFPSSA-N 1 1 369.421 3.055 20 5 FGBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000584502076 507380746 /nfs/dbraw/zinc/38/07/46/507380746.db2.gz IXUFFYISMSPLBP-ZIAGYGMSSA-N 1 1 353.488 3.312 20 5 FGBDMO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000598558857 507486145 /nfs/dbraw/zinc/48/61/45/507486145.db2.gz FKRKDRAVDMUMRE-OAHLLOKOSA-N 1 1 372.469 3.021 20 5 FGBDMO Cc1noc(C[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)c1[N+](=O)[O-] ZINC000595423381 507489896 /nfs/dbraw/zinc/48/98/96/507489896.db2.gz RDDDMNDTXQXTKY-AWEZNQCLSA-N 1 1 368.397 3.056 20 5 FGBDMO Cc1noc(C[N@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)c1[N+](=O)[O-] ZINC000595423381 507489901 /nfs/dbraw/zinc/48/99/01/507489901.db2.gz RDDDMNDTXQXTKY-AWEZNQCLSA-N 1 1 368.397 3.056 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](C[C@@H]4C[C@H]5C[C@H]5C4)CC3)nc2c1 ZINC000595433220 507494569 /nfs/dbraw/zinc/49/45/69/507494569.db2.gz QFTKSXZASUEGQB-QDMKHBRRSA-N 1 1 355.442 3.029 20 5 FGBDMO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3c(F)cccc3[N+](=O)[O-])C2)cc1 ZINC000601878489 507498475 /nfs/dbraw/zinc/49/84/75/507498475.db2.gz AUXNXTSJEUNQBE-HNNXBMFYSA-N 1 1 357.385 3.047 20 5 FGBDMO CC(C)(C)[C@@H](O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132480 507498612 /nfs/dbraw/zinc/49/86/12/507498612.db2.gz HAMDGZJGCIVGEC-BQFCYCMXSA-N 1 1 350.459 3.107 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000611094820 507514653 /nfs/dbraw/zinc/51/46/53/507514653.db2.gz YSXFISMDOCAYIU-UHFFFAOYSA-N 1 1 371.437 3.244 20 5 FGBDMO C[C@@H](NC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000595481027 507523307 /nfs/dbraw/zinc/52/33/07/507523307.db2.gz MZABUVNBHPUDAI-GDBMZVCRSA-N 1 1 360.458 3.362 20 5 FGBDMO C[C@H](NC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000595481029 507523354 /nfs/dbraw/zinc/52/33/54/507523354.db2.gz MZABUVNBHPUDAI-HOCLYGCPSA-N 1 1 360.458 3.362 20 5 FGBDMO Cc1noc(C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC000595488797 507526816 /nfs/dbraw/zinc/52/68/16/507526816.db2.gz MLWUWGFNPJDXBP-CZUORRHYSA-N 1 1 368.796 3.219 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H](C(F)F)C2CCCCC2)c1 ZINC000598650365 507535006 /nfs/dbraw/zinc/53/50/06/507535006.db2.gz OSVQZTRPYHDSQB-GDBMZVCRSA-N 1 1 358.385 3.138 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+]3CC[C@H](C)[C@@H](CO)C3)o2)c([N+](=O)[O-])c1 ZINC000598676220 507546606 /nfs/dbraw/zinc/54/66/06/507546606.db2.gz DXAAOOOYHVPMQV-UONOGXRCSA-N 1 1 360.410 3.314 20 5 FGBDMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611171055 507546913 /nfs/dbraw/zinc/54/69/13/507546913.db2.gz OHMADPDTJOLCGE-RDTXWAMCSA-N 1 1 356.426 3.308 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(c2cccnc2)CC1 ZINC000611258579 507585850 /nfs/dbraw/zinc/58/58/50/507585850.db2.gz ZOVSPTMKYVNUKD-CQSZACIVSA-N 1 1 354.410 3.196 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@@H]3CCOc4ccccc43)C2)nc1 ZINC000611272359 507596649 /nfs/dbraw/zinc/59/66/49/507596649.db2.gz BCCXKALNSAJYLF-LSDHHAIUSA-N 1 1 354.410 3.042 20 5 FGBDMO COC(=O)[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000595740198 507656877 /nfs/dbraw/zinc/65/68/77/507656877.db2.gz VZPVGSWHVQLRJQ-ZENOOKHLSA-N 1 1 350.390 3.288 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000595740198 507656879 /nfs/dbraw/zinc/65/68/79/507656879.db2.gz VZPVGSWHVQLRJQ-ZENOOKHLSA-N 1 1 350.390 3.288 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000595748878 507665364 /nfs/dbraw/zinc/66/53/64/507665364.db2.gz YNBMCUUPXKACSY-PKOBYXMFSA-N 1 1 356.422 3.201 20 5 FGBDMO C[N@@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H](c2ccccc2)C1 ZINC000611432318 507679139 /nfs/dbraw/zinc/67/91/39/507679139.db2.gz SRBJYPONPOGBOA-KRWDZBQOSA-N 1 1 352.394 3.225 20 5 FGBDMO C[N@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H](c2ccccc2)C1 ZINC000611432318 507679143 /nfs/dbraw/zinc/67/91/43/507679143.db2.gz SRBJYPONPOGBOA-KRWDZBQOSA-N 1 1 352.394 3.225 20 5 FGBDMO O=C(CC[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000595785369 507683336 /nfs/dbraw/zinc/68/33/36/507683336.db2.gz DYEQNPFVRJMLIB-MAUKXSAKSA-N 1 1 361.442 3.205 20 5 FGBDMO CO[C@@]1(C(F)(F)F)CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000614922545 507694290 /nfs/dbraw/zinc/69/42/90/507694290.db2.gz VWWUOFNICKJYCG-HNNXBMFYSA-N 1 1 362.348 3.407 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CCCC[C@H]2C2CCC2)cc1[N+](=O)[O-] ZINC000592529136 507698474 /nfs/dbraw/zinc/69/84/74/507698474.db2.gz LJSNICUUJUQKCC-INIZCTEOSA-N 1 1 362.426 3.301 20 5 FGBDMO COc1cc(C[NH2+][C@H](Cn2cccn2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000611516631 507718415 /nfs/dbraw/zinc/71/84/15/507718415.db2.gz UJZLEGVGWQBKHV-QGZVFWFLSA-N 1 1 352.394 3.331 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1c(C(F)(F)F)nc2n1CCCC2 ZINC000602516771 507734178 /nfs/dbraw/zinc/73/41/78/507734178.db2.gz QVBARGRHTUPMGD-UHFFFAOYSA-N 1 1 354.332 3.436 20 5 FGBDMO C[C@@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000611560777 507738999 /nfs/dbraw/zinc/73/89/99/507738999.db2.gz SLGCXVSGCDJOCE-KBXCAEBGSA-N 1 1 351.410 3.206 20 5 FGBDMO C[C@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000611560752 507739122 /nfs/dbraw/zinc/73/91/22/507739122.db2.gz MXPHGDMTDVWLTQ-RDTXWAMCSA-N 1 1 351.410 3.206 20 5 FGBDMO O=C1[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCN1C1CCCCC1 ZINC000131652085 700818201 /nfs/dbraw/zinc/81/82/01/700818201.db2.gz NPHTWSUBIZCIEP-MRXNPFEDSA-N 1 1 351.834 3.271 20 5 FGBDMO C[C@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000804346638 724506430 /nfs/dbraw/zinc/50/64/30/724506430.db2.gz VIEYVSPZQLYCKP-LLVKDONJSA-N 1 1 362.411 3.423 20 5 FGBDMO C[C@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000804346638 724506432 /nfs/dbraw/zinc/50/64/32/724506432.db2.gz VIEYVSPZQLYCKP-LLVKDONJSA-N 1 1 362.411 3.423 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)cc1Cl ZINC000783653168 724775111 /nfs/dbraw/zinc/77/51/11/724775111.db2.gz NJBQWTWYJFTKNU-KRWDZBQOSA-N 1 1 350.777 3.481 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)cc1Cl ZINC000783653168 724775115 /nfs/dbraw/zinc/77/51/15/724775115.db2.gz NJBQWTWYJFTKNU-KRWDZBQOSA-N 1 1 350.777 3.481 20 5 FGBDMO Cc1nc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)ncc1[N+](=O)[O-] ZINC001164995757 722212430 /nfs/dbraw/zinc/21/24/30/722212430.db2.gz KJNLIPJYWMXTFT-LJQANCHMSA-N 1 1 371.416 3.077 20 5 FGBDMO Cc1[nH+]ccn1CCOC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000751645245 722818190 /nfs/dbraw/zinc/81/81/90/722818190.db2.gz UZBNJAOMTWJGMP-UHFFFAOYSA-N 1 1 355.803 3.089 20 5 FGBDMO CC[N@@H+](CCNC(=S)Nc1ccc([N+](=O)[O-])cc1)CCC(F)(F)F ZINC000754824503 722946424 /nfs/dbraw/zinc/94/64/24/722946424.db2.gz KXHWPQZNXFUFHZ-UHFFFAOYSA-N 1 1 364.393 3.156 20 5 FGBDMO C[C@H](CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000790539710 723151061 /nfs/dbraw/zinc/15/10/61/723151061.db2.gz SJCNEBFWIUAGHC-VXGBXAGGSA-N 1 1 371.840 3.309 20 5 FGBDMO C[C@@H](CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000790538044 723151098 /nfs/dbraw/zinc/15/10/98/723151098.db2.gz AVCYFZKXMPXPFP-RYUDHWBXSA-N 1 1 371.840 3.166 20 5 FGBDMO COCC[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC[C@H](C)C1 ZINC000792462950 723338497 /nfs/dbraw/zinc/33/84/97/723338497.db2.gz BNUSLRNLBHGDNC-GXTWGEPZSA-N 1 1 369.849 3.324 20 5 FGBDMO CC[N@H+](C[C@@H]1CCCO1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000764216532 723399500 /nfs/dbraw/zinc/39/95/00/723399500.db2.gz UWNMQMQXBCOMMI-AAEUAGOBSA-N 1 1 355.822 3.076 20 5 FGBDMO CC[N@@H+](C[C@@H]1CCCO1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000764216532 723399503 /nfs/dbraw/zinc/39/95/03/723399503.db2.gz UWNMQMQXBCOMMI-AAEUAGOBSA-N 1 1 355.822 3.076 20 5 FGBDMO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)c2ccsc2)ccc1Br ZINC000769932607 723701178 /nfs/dbraw/zinc/70/11/78/723701178.db2.gz GHDKDFAGEUOQOL-LBPRGKRZSA-N 1 1 357.229 3.242 20 5 FGBDMO O=[N+]([O-])c1ccc(NC(=S)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000772815623 723768897 /nfs/dbraw/zinc/76/88/97/723768897.db2.gz DTSGHPDMPVYNGZ-GUYCJALGSA-N 1 1 360.483 3.240 20 5 FGBDMO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CCCC4(CCOCC4)C3)c2c(Cl)c1 ZINC000774639575 723913300 /nfs/dbraw/zinc/91/33/00/723913300.db2.gz XGCFRBUOQHPPTE-UHFFFAOYSA-N 1 1 364.833 3.448 20 5 FGBDMO O=[N+]([O-])c1cc2cnn(C[N@H+]3CCCC4(CCOCC4)C3)c2c(Cl)c1 ZINC000774639575 723913302 /nfs/dbraw/zinc/91/33/02/723913302.db2.gz XGCFRBUOQHPPTE-UHFFFAOYSA-N 1 1 364.833 3.448 20 5 FGBDMO C[C@@]1(CCCO)CCC[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000801526322 724310506 /nfs/dbraw/zinc/31/05/06/724310506.db2.gz KKQJRLYRLYYPNP-HNNXBMFYSA-N 1 1 357.248 3.484 20 5 FGBDMO C[C@@]1(CCCO)CCC[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000801526322 724310511 /nfs/dbraw/zinc/31/05/11/724310511.db2.gz KKQJRLYRLYYPNP-HNNXBMFYSA-N 1 1 357.248 3.484 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778219338 724312282 /nfs/dbraw/zinc/31/22/82/724312282.db2.gz BSKPWKTYXMCIOA-CYBMUJFWSA-N 1 1 355.385 3.067 20 5 FGBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000809236656 725235664 /nfs/dbraw/zinc/23/56/64/725235664.db2.gz RYNQMTQCXKRABB-NSHDSACASA-N 1 1 359.829 3.166 20 5 FGBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809923164 725276398 /nfs/dbraw/zinc/27/63/98/725276398.db2.gz XQKFWMWYPMPONP-ZDUSSCGKSA-N 1 1 354.838 3.490 20 5 FGBDMO COc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)Cn2cc[nH+]c2C)cc1SC ZINC000810620876 725318153 /nfs/dbraw/zinc/31/81/53/725318153.db2.gz KRPFUWRMLKZIRY-JTQLQIEISA-N 1 1 365.411 3.076 20 5 FGBDMO CC(C)(C)N1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1=O ZINC000811483164 725368606 /nfs/dbraw/zinc/36/86/06/725368606.db2.gz CXJZAGLSXZRUCM-NSHDSACASA-N 1 1 360.241 3.391 20 5 FGBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000811583876 725374231 /nfs/dbraw/zinc/37/42/31/725374231.db2.gz GHFKFWZCIXAILX-NSHDSACASA-N 1 1 372.263 3.208 20 5 FGBDMO Cn1c(=O)c(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cc2ccccc21 ZINC000813790813 726914876 /nfs/dbraw/zinc/91/48/76/726914876.db2.gz ZERYXYRJGWCJBI-UHFFFAOYSA-N 1 1 357.797 3.390 20 5 FGBDMO COc1cc2c(cc1Cl)C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000815259498 727059170 /nfs/dbraw/zinc/05/91/70/727059170.db2.gz RIXKGXGQLQWNSF-QGZVFWFLSA-N 1 1 362.813 3.349 20 5 FGBDMO COc1cc2c(cc1Cl)C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000815259498 727059173 /nfs/dbraw/zinc/05/91/73/727059173.db2.gz RIXKGXGQLQWNSF-QGZVFWFLSA-N 1 1 362.813 3.349 20 5 FGBDMO C[C@H]1CN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000820873825 729039389 /nfs/dbraw/zinc/03/93/89/729039389.db2.gz IISBHCVRWPYHEC-CYBMUJFWSA-N 1 1 365.861 3.124 20 5 FGBDMO C[N@@H+](CCCCNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000822271950 729158248 /nfs/dbraw/zinc/15/82/48/729158248.db2.gz FOEDDJUVUCIEJU-UHFFFAOYSA-N 1 1 353.850 3.171 20 5 FGBDMO CC(C)(C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1)C(N)=O ZINC000824609014 729350679 /nfs/dbraw/zinc/35/06/79/729350679.db2.gz UPOUCPYMWQUUEK-CYBMUJFWSA-N 1 1 353.850 3.362 20 5 FGBDMO O=C(CC1CC(F)(F)C1)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000835457434 729891439 /nfs/dbraw/zinc/89/14/39/729891439.db2.gz JDYTWPRZIIRAFA-HNNXBMFYSA-N 1 1 354.353 3.148 20 5 FGBDMO O=C(CC1CC(F)(F)C1)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000835457434 729891442 /nfs/dbraw/zinc/89/14/42/729891442.db2.gz JDYTWPRZIIRAFA-HNNXBMFYSA-N 1 1 354.353 3.148 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000836775273 729969628 /nfs/dbraw/zinc/96/96/28/729969628.db2.gz ZSPIMVWDZVUOCK-DOMZBBRYSA-N 1 1 351.834 3.113 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Cl ZINC000836786536 729969995 /nfs/dbraw/zinc/96/99/95/729969995.db2.gz DADYAHONPMPBOE-FUNVUKJBSA-N 1 1 351.834 3.254 20 5 FGBDMO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CC[C@H](c4cccnc4)C3)c2c(Cl)c1 ZINC000842628143 730521685 /nfs/dbraw/zinc/52/16/85/730521685.db2.gz NZSVVGJUYJRXSI-ZDUSSCGKSA-N 1 1 357.801 3.440 20 5 FGBDMO O=[N+]([O-])c1cc2cnn(C[N@H+]3CC[C@H](c4cccnc4)C3)c2c(Cl)c1 ZINC000842628143 730521689 /nfs/dbraw/zinc/52/16/89/730521689.db2.gz NZSVVGJUYJRXSI-ZDUSSCGKSA-N 1 1 357.801 3.440 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@]3(CC3(F)F)C2)cccc1[N+](=O)[O-] ZINC000844438479 730718226 /nfs/dbraw/zinc/71/82/26/730718226.db2.gz QVWBBUXPQXDOLW-LRDDRELGSA-N 1 1 353.369 3.351 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@]3(CC3(F)F)C2)cccc1[N+](=O)[O-] ZINC000844438479 730718233 /nfs/dbraw/zinc/71/82/33/730718233.db2.gz QVWBBUXPQXDOLW-LRDDRELGSA-N 1 1 353.369 3.351 20 5 FGBDMO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000847335855 731047666 /nfs/dbraw/zinc/04/76/66/731047666.db2.gz DWAQSYLIRXDLFJ-JKSUJKDBSA-N 1 1 366.849 3.064 20 5 FGBDMO O=[N+]([O-])c1cn(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)nc1-c1ccccn1 ZINC000853502368 731714347 /nfs/dbraw/zinc/71/43/47/731714347.db2.gz YFDXECFXADKROV-ZBFHGGJFSA-N 1 1 359.455 3.171 20 5 FGBDMO O=[N+]([O-])c1cn(C[N@H+]2CCS[C@H]3CCCC[C@H]32)nc1-c1ccccn1 ZINC000853502368 731714349 /nfs/dbraw/zinc/71/43/49/731714349.db2.gz YFDXECFXADKROV-ZBFHGGJFSA-N 1 1 359.455 3.171 20 5 FGBDMO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000854183924 731801997 /nfs/dbraw/zinc/80/19/97/731801997.db2.gz GMIULZQMMJKARK-CYBMUJFWSA-N 1 1 366.849 3.492 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000860297168 732492245 /nfs/dbraw/zinc/49/22/45/732492245.db2.gz NNNQEMSGYNBOSQ-ZDUSSCGKSA-N 1 1 353.850 3.346 20 5 FGBDMO COCC[NH+]1CCC(N[C@@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000872028725 735579065 /nfs/dbraw/zinc/57/90/65/735579065.db2.gz SLGLIIWJOJUBSI-ZDUSSCGKSA-N 1 1 353.488 3.078 20 5 FGBDMO CC1(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)CC(F)(F)C1 ZINC000873532347 735774100 /nfs/dbraw/zinc/77/41/00/735774100.db2.gz FOBXLXQUXHWVFE-AWEZNQCLSA-N 1 1 354.353 3.148 20 5 FGBDMO CC1(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)CC(F)(F)C1 ZINC000873532347 735774106 /nfs/dbraw/zinc/77/41/06/735774106.db2.gz FOBXLXQUXHWVFE-AWEZNQCLSA-N 1 1 354.353 3.148 20 5 FGBDMO C[N@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@H]1CCSC1 ZINC000878303938 736803272 /nfs/dbraw/zinc/80/32/72/736803272.db2.gz GAOIYNKAMIVFHT-JTQLQIEISA-N 1 1 354.819 3.236 20 5 FGBDMO C[N@@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@H]1CCSC1 ZINC000878303938 736803277 /nfs/dbraw/zinc/80/32/77/736803277.db2.gz GAOIYNKAMIVFHT-JTQLQIEISA-N 1 1 354.819 3.236 20 5 FGBDMO CO[C@H]1C[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC[C@@H]1C ZINC000878484447 736853256 /nfs/dbraw/zinc/85/32/56/736853256.db2.gz YOOVQADAAIDYSR-HZMBPMFUSA-N 1 1 366.805 3.155 20 5 FGBDMO CO[C@H]1C[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC[C@@H]1C ZINC000878484447 736853261 /nfs/dbraw/zinc/85/32/61/736853261.db2.gz YOOVQADAAIDYSR-HZMBPMFUSA-N 1 1 366.805 3.155 20 5 FGBDMO C[C@H]1CSCC[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878508684 736856793 /nfs/dbraw/zinc/85/67/93/736856793.db2.gz WNSLBULIVLEPLN-SNVBAGLBSA-N 1 1 368.846 3.483 20 5 FGBDMO C[C@H]1CSCC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878508684 736856796 /nfs/dbraw/zinc/85/67/96/736856796.db2.gz WNSLBULIVLEPLN-SNVBAGLBSA-N 1 1 368.846 3.483 20 5 FGBDMO COc1cc(CN2CCC3(CC2)CC[NH+](C)CC3)c([N+](=O)[O-])cc1F ZINC000879250007 736972531 /nfs/dbraw/zinc/97/25/31/736972531.db2.gz JREAWIGDLWBEBK-UHFFFAOYSA-N 1 1 351.422 3.050 20 5 FGBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879561610 737007821 /nfs/dbraw/zinc/00/78/21/737007821.db2.gz RCYMAEJCMRTVEQ-UTUOFQBUSA-N 1 1 369.874 3.260 20 5 FGBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879561610 737007827 /nfs/dbraw/zinc/00/78/27/737007827.db2.gz RCYMAEJCMRTVEQ-UTUOFQBUSA-N 1 1 369.874 3.260 20 5 FGBDMO Cc1csc([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000880007696 737098166 /nfs/dbraw/zinc/09/81/66/737098166.db2.gz LDRPHLBZRCPJKZ-OLZOCXBDSA-N 1 1 360.439 3.176 20 5 FGBDMO Cc1csc([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000880007696 737098169 /nfs/dbraw/zinc/09/81/69/737098169.db2.gz LDRPHLBZRCPJKZ-OLZOCXBDSA-N 1 1 360.439 3.176 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@H](c4nccs4)C3)n2)cc1 ZINC000880318669 737153801 /nfs/dbraw/zinc/15/38/01/737153801.db2.gz KLQFRAKWIOCMEK-LBPRGKRZSA-N 1 1 357.395 3.091 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@H](c4nccs4)C3)n2)cc1 ZINC000880318669 737153805 /nfs/dbraw/zinc/15/38/05/737153805.db2.gz KLQFRAKWIOCMEK-LBPRGKRZSA-N 1 1 357.395 3.091 20 5 FGBDMO C[C@](CO)([NH2+]Cc1cccnc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000886014310 739209493 /nfs/dbraw/zinc/20/94/93/739209493.db2.gz DVGLZKBJTWHOLQ-OAHLLOKOSA-N 1 1 355.316 3.006 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886819828 739306081 /nfs/dbraw/zinc/30/60/81/739306081.db2.gz XUFMGCKTMDKXPT-WFASDCNBSA-N 1 1 355.232 3.358 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886827595 739307620 /nfs/dbraw/zinc/30/76/20/739307620.db2.gz NTGLZMTUBLCDGH-BFQNTYOBSA-N 1 1 367.833 3.076 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886827595 739307624 /nfs/dbraw/zinc/30/76/24/739307624.db2.gz NTGLZMTUBLCDGH-BFQNTYOBSA-N 1 1 367.833 3.076 20 5 FGBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000888284689 739496181 /nfs/dbraw/zinc/49/61/81/739496181.db2.gz IMDJUARLGQAIJJ-NSHDSACASA-N 1 1 352.822 3.329 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@H](CF)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000895572412 742427970 /nfs/dbraw/zinc/42/79/70/742427970.db2.gz DCEFZQCTPCPSQY-JTQLQIEISA-N 1 1 366.311 3.336 20 5 FGBDMO CCN(C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)[C@@H]1CC[N@@H+](C)C1 ZINC000898588053 742815222 /nfs/dbraw/zinc/81/52/22/742815222.db2.gz VMPVFNBKKVOHAT-MRVPVSSYSA-N 1 1 364.204 3.207 20 5 FGBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000906437302 744131998 /nfs/dbraw/zinc/13/19/98/744131998.db2.gz ZGSZLSWAHCYLOW-ZDUSSCGKSA-N 1 1 353.850 3.027 20 5 FGBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000935774339 761939852 /nfs/dbraw/zinc/93/98/52/761939852.db2.gz GMZMCCYKXFPZRQ-ZDUSSCGKSA-N 1 1 353.850 3.124 20 5 FGBDMO C[C@H]1C[C@H](N(C)C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000933447666 761393131 /nfs/dbraw/zinc/39/31/31/761393131.db2.gz WERYWYQRUQCSQF-QWHCGFSZSA-N 1 1 353.850 3.122 20 5 FGBDMO Cc1nn(C)c(N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)c1[N+](=O)[O-] ZINC000051322218 210061248 /nfs/dbraw/zinc/06/12/48/210061248.db2.gz JAWJFZIAWPKYAL-UHFFFAOYSA-N 1 1 357.458 3.082 20 5 FGBDMO Cc1cc(NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302144085 257385189 /nfs/dbraw/zinc/38/51/89/257385189.db2.gz GFTMZAUPNKHFPH-FQEVSTJZSA-N 1 1 371.485 3.135 20 5 FGBDMO Cc1c(CNC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000573622111 505580745 /nfs/dbraw/zinc/58/07/45/505580745.db2.gz XSJOLMWXXLSTPL-KRWDZBQOSA-N 1 1 361.829 3.476 20 5 FGBDMO CC[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[N@@H+](C)Cc1ccccc1 ZINC000574006400 505672047 /nfs/dbraw/zinc/67/20/47/505672047.db2.gz OLZQSLSGELIAQL-FQEVSTJZSA-N 1 1 367.449 3.390 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000580114196 505680006 /nfs/dbraw/zinc/68/00/06/505680006.db2.gz MHAJPUHSHAPRDX-BEFAXECRSA-N 1 1 353.422 3.296 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000048039696 493776432 /nfs/dbraw/zinc/77/64/32/493776432.db2.gz PKJNDYISNPSPLY-UHFFFAOYSA-N 1 1 364.446 3.188 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000076395971 493884000 /nfs/dbraw/zinc/88/40/00/493884000.db2.gz KNRHXOLXMUDCKZ-AWEZNQCLSA-N 1 1 367.409 3.026 20 5 FGBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000050629134 493924842 /nfs/dbraw/zinc/92/48/42/493924842.db2.gz CYFFVMMGVHZQMD-CYBMUJFWSA-N 1 1 374.466 3.180 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000031339123 493939793 /nfs/dbraw/zinc/93/97/93/493939793.db2.gz RHRRRQOKAOGNMA-UHFFFAOYSA-N 1 1 371.462 3.105 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCc3ccccc3C2)c1 ZINC000031339123 493939794 /nfs/dbraw/zinc/93/97/94/493939794.db2.gz RHRRRQOKAOGNMA-UHFFFAOYSA-N 1 1 371.462 3.105 20 5 FGBDMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000070702136 494049201 /nfs/dbraw/zinc/04/92/01/494049201.db2.gz AHTUXMIPOPYRNA-HNNXBMFYSA-N 1 1 363.801 3.408 20 5 FGBDMO CC(C)[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCOCC1 ZINC000077323642 494058144 /nfs/dbraw/zinc/05/81/44/494058144.db2.gz WNQMXEMGLSVZAP-UHFFFAOYSA-N 1 1 355.822 3.076 20 5 FGBDMO CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000077383443 494073110 /nfs/dbraw/zinc/07/31/10/494073110.db2.gz OMVZSBCCMCLPJI-UHFFFAOYSA-N 1 1 371.437 3.198 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000063694604 494077273 /nfs/dbraw/zinc/07/72/73/494077273.db2.gz OHPWRTZSWVQALB-ZDUSSCGKSA-N 1 1 351.472 3.167 20 5 FGBDMO COCCCC[N@@H+](Cc1ccccc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000065165229 494176690 /nfs/dbraw/zinc/17/66/90/494176690.db2.gz JBGYMPWNFLPRSW-UHFFFAOYSA-N 1 1 371.437 3.123 20 5 FGBDMO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)n1 ZINC000054205633 494206411 /nfs/dbraw/zinc/20/64/11/494206411.db2.gz GIUUEXADRSHUJR-AWEZNQCLSA-N 1 1 360.439 3.210 20 5 FGBDMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)n1 ZINC000054205633 494206414 /nfs/dbraw/zinc/20/64/14/494206414.db2.gz GIUUEXADRSHUJR-AWEZNQCLSA-N 1 1 360.439 3.210 20 5 FGBDMO CC(C)COC1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000054328544 494222209 /nfs/dbraw/zinc/22/22/09/494222209.db2.gz HLGJUIBAALYQIP-UHFFFAOYSA-N 1 1 360.414 3.282 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000072718504 494239526 /nfs/dbraw/zinc/23/95/26/494239526.db2.gz KANADYDXFYUGIP-KRWDZBQOSA-N 1 1 374.485 3.040 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@H](Nc3cc(C)c([N+](=O)[O-])cn3)C2)cc(OC)c1 ZINC000088751346 494257531 /nfs/dbraw/zinc/25/75/31/494257531.db2.gz XXPWEKAFLOCLIY-HNNXBMFYSA-N 1 1 372.425 3.002 20 5 FGBDMO C[C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@@H]1C ZINC000043085649 494263123 /nfs/dbraw/zinc/26/31/23/494263123.db2.gz NZDXURRKUORDRH-KBPBESRZSA-N 1 1 351.472 3.066 20 5 FGBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000066139983 494278409 /nfs/dbraw/zinc/27/84/09/494278409.db2.gz CGJZBDRAUOFBBY-LBPRGKRZSA-N 1 1 362.455 3.178 20 5 FGBDMO Cc1ccccc1C[NH+]1CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000018110168 494424985 /nfs/dbraw/zinc/42/49/85/494424985.db2.gz UURMLPAQHDQKKN-UHFFFAOYSA-N 1 1 353.422 3.170 20 5 FGBDMO CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000079309154 494434796 /nfs/dbraw/zinc/43/47/96/494434796.db2.gz LVWLDIMKCQRTPC-OCCSQVGLSA-N 1 1 374.384 3.330 20 5 FGBDMO CCc1ccc([C@H]2C[C@@H](C)CC[N@H+]2CCn2cc([N+](=O)[O-])ccc2=O)o1 ZINC000090551292 494481425 /nfs/dbraw/zinc/48/14/25/494481425.db2.gz PMPWDXTYUKTJST-WMLDXEAASA-N 1 1 359.426 3.385 20 5 FGBDMO C[C@@H](NC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000074856437 494625504 /nfs/dbraw/zinc/62/55/04/494625504.db2.gz OSCKRHQBTMNOIV-ZBFHGGJFSA-N 1 1 360.458 3.029 20 5 FGBDMO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000074956458 494664166 /nfs/dbraw/zinc/66/41/66/494664166.db2.gz ZRIVVKQWCFVMJG-CQSZACIVSA-N 1 1 359.348 3.026 20 5 FGBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000074956458 494664174 /nfs/dbraw/zinc/66/41/74/494664174.db2.gz ZRIVVKQWCFVMJG-CQSZACIVSA-N 1 1 359.348 3.026 20 5 FGBDMO CCOC(=O)C[N@@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000091775369 494674898 /nfs/dbraw/zinc/67/48/98/494674898.db2.gz JPYKCTPCDHKQPW-UHFFFAOYSA-N 1 1 374.441 3.016 20 5 FGBDMO CCOC(=O)C[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000091775369 494674902 /nfs/dbraw/zinc/67/49/02/494674902.db2.gz JPYKCTPCDHKQPW-UHFFFAOYSA-N 1 1 374.441 3.016 20 5 FGBDMO COc1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1Cl ZINC000121332147 494705495 /nfs/dbraw/zinc/70/54/95/494705495.db2.gz WJKJLAIOIJKELR-ZDUSSCGKSA-N 1 1 362.817 3.338 20 5 FGBDMO COc1ccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1Cl ZINC000121332147 494705504 /nfs/dbraw/zinc/70/55/04/494705504.db2.gz WJKJLAIOIJKELR-ZDUSSCGKSA-N 1 1 362.817 3.338 20 5 FGBDMO O=[N+]([O-])c1cc(CN2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1Br ZINC000092072016 494778503 /nfs/dbraw/zinc/77/85/03/494778503.db2.gz KIAUOJNQRXRSKX-LBPRGKRZSA-N 1 1 365.231 3.460 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)ccc1Br ZINC000092072016 494778508 /nfs/dbraw/zinc/77/85/08/494778508.db2.gz KIAUOJNQRXRSKX-LBPRGKRZSA-N 1 1 365.231 3.460 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)ccc1Br ZINC000092072016 494778514 /nfs/dbraw/zinc/77/85/14/494778514.db2.gz KIAUOJNQRXRSKX-LBPRGKRZSA-N 1 1 365.231 3.460 20 5 FGBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000075538737 494789793 /nfs/dbraw/zinc/78/97/93/494789793.db2.gz OGBGIDKYYZLZKZ-LBPRGKRZSA-N 1 1 354.838 3.444 20 5 FGBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000131984776 494791714 /nfs/dbraw/zinc/79/17/14/494791714.db2.gz UXFKHSSMRWDNEO-OAHLLOKOSA-N 1 1 368.437 3.035 20 5 FGBDMO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000126663920 494814852 /nfs/dbraw/zinc/81/48/52/494814852.db2.gz HZWVXFHQNPLRKM-DJJJIMSYSA-N 1 1 368.437 3.165 20 5 FGBDMO COc1cc(C[N@H+](C)[C@@H]2CCOC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000132186093 494835557 /nfs/dbraw/zinc/83/55/57/494835557.db2.gz FTLWJCLZEXOJRC-QGZVFWFLSA-N 1 1 372.421 3.403 20 5 FGBDMO COc1cc(C[N@@H+](C)[C@@H]2CCOC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000132186093 494835560 /nfs/dbraw/zinc/83/55/60/494835560.db2.gz FTLWJCLZEXOJRC-QGZVFWFLSA-N 1 1 372.421 3.403 20 5 FGBDMO CC(C)c1ccc(C[N@H+]2CCCN(c3cccnn3)CC2)cc1[N+](=O)[O-] ZINC000093150486 494835684 /nfs/dbraw/zinc/83/56/84/494835684.db2.gz CBOGWZWRPNEEAK-UHFFFAOYSA-N 1 1 355.442 3.221 20 5 FGBDMO COc1ccc(F)cc1[C@@H](C)[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000109147031 494838823 /nfs/dbraw/zinc/83/88/23/494838823.db2.gz LXFAWYGXXWEIGN-PXAZEXFGSA-N 1 1 373.384 3.199 20 5 FGBDMO COc1cccc([N+](=O)[O-])c1NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000568651155 505745847 /nfs/dbraw/zinc/74/58/47/505745847.db2.gz LOLHGXCJNLTUCB-UHFFFAOYSA-N 1 1 357.410 3.048 20 5 FGBDMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000027333914 494861720 /nfs/dbraw/zinc/86/17/20/494861720.db2.gz GVROSWFTZDNRHP-HNNXBMFYSA-N 1 1 363.801 3.408 20 5 FGBDMO CCC[C@@H]([NH2+]C[C@@H](C(C)C)N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000132358901 494862532 /nfs/dbraw/zinc/86/25/32/494862532.db2.gz RBCYLBNGXYCZFX-UXHICEINSA-N 1 1 362.518 3.298 20 5 FGBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000027391094 494865779 /nfs/dbraw/zinc/86/57/79/494865779.db2.gz BHKZGMNSGIGPTK-UHFFFAOYSA-N 1 1 367.449 3.180 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+](Cc2ccc(F)cc2)C2CC2)c1 ZINC000027429337 494867952 /nfs/dbraw/zinc/86/79/52/494867952.db2.gz SNIPOQBUOOMAAA-SFHVURJKSA-N 1 1 360.385 3.138 20 5 FGBDMO C[C@H](c1ccc(F)cc1)[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000027558629 494873402 /nfs/dbraw/zinc/87/34/02/494873402.db2.gz QOELCKUGLNOVEP-CYBMUJFWSA-N 1 1 357.385 3.316 20 5 FGBDMO C[C@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000027558629 494873404 /nfs/dbraw/zinc/87/34/04/494873404.db2.gz QOELCKUGLNOVEP-CYBMUJFWSA-N 1 1 357.385 3.316 20 5 FGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H](O)COc1ccccc1Cl)CC2 ZINC000132584109 494895666 /nfs/dbraw/zinc/89/56/66/494895666.db2.gz STBHABFFKFZJGP-MRXNPFEDSA-N 1 1 362.813 3.046 20 5 FGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)COc1ccccc1Cl)CC2 ZINC000132584109 494895668 /nfs/dbraw/zinc/89/56/68/494895668.db2.gz STBHABFFKFZJGP-MRXNPFEDSA-N 1 1 362.813 3.046 20 5 FGBDMO COCC[N@@H+](C)Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000127173559 494904054 /nfs/dbraw/zinc/90/40/54/494904054.db2.gz DBPFKGGXTCRTME-UHFFFAOYSA-N 1 1 360.410 3.261 20 5 FGBDMO O=C1[C@H]([N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCCN1CC(F)(F)F ZINC000571513241 505751185 /nfs/dbraw/zinc/75/11/85/505751185.db2.gz CGHOORFRWOEKJH-OAHLLOKOSA-N 1 1 371.359 3.113 20 5 FGBDMO O=C1[C@H]([N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCCN1CC(F)(F)F ZINC000571513241 505751187 /nfs/dbraw/zinc/75/11/87/505751187.db2.gz CGHOORFRWOEKJH-OAHLLOKOSA-N 1 1 371.359 3.113 20 5 FGBDMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCn3cc([N+](=O)[O-])cn3)cc2)C1 ZINC000097682292 495041666 /nfs/dbraw/zinc/04/16/66/495041666.db2.gz WMLQUOLFVVVIFW-HNNXBMFYSA-N 1 1 371.441 3.052 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc(F)cc3Cl)C2)nc1 ZINC000118866551 495050311 /nfs/dbraw/zinc/05/03/11/495050311.db2.gz MTZRWSYLGJJYCG-ZDUSSCGKSA-N 1 1 350.781 3.469 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccc(F)cc3Cl)C2)nc1 ZINC000118866551 495050314 /nfs/dbraw/zinc/05/03/14/495050314.db2.gz MTZRWSYLGJJYCG-ZDUSSCGKSA-N 1 1 350.781 3.469 20 5 FGBDMO Cc1nn(C)c(C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000098099106 495054079 /nfs/dbraw/zinc/05/40/79/495054079.db2.gz KJPVPUMYZRYTGE-ZDUSSCGKSA-N 1 1 371.441 3.121 20 5 FGBDMO C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000134246742 495126342 /nfs/dbraw/zinc/12/63/42/495126342.db2.gz QKNMETOSFXGYCW-BFUOFWGJSA-N 1 1 370.405 3.285 20 5 FGBDMO C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000134246742 495126348 /nfs/dbraw/zinc/12/63/48/495126348.db2.gz QKNMETOSFXGYCW-BFUOFWGJSA-N 1 1 370.405 3.285 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H](SC)C2)c([N+](=O)[O-])c1 ZINC000134546274 495166350 /nfs/dbraw/zinc/16/63/50/495166350.db2.gz YGCFVDXIWGKQAI-CQSZACIVSA-N 1 1 367.471 3.150 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@H+]2CCCC[C@@H](SC)C2)c([N+](=O)[O-])c1 ZINC000134546274 495166352 /nfs/dbraw/zinc/16/63/52/495166352.db2.gz YGCFVDXIWGKQAI-CQSZACIVSA-N 1 1 367.471 3.150 20 5 FGBDMO CS[C@H]1CCCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000134567507 495168747 /nfs/dbraw/zinc/16/87/47/495168747.db2.gz LHDJHCWYMJEZNQ-KBPBESRZSA-N 1 1 351.472 3.448 20 5 FGBDMO C[C@@H]1CCC[N@H+]1C1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000134672999 495184697 /nfs/dbraw/zinc/18/46/97/495184697.db2.gz XGBAJNGXJODHEF-CQSZACIVSA-N 1 1 371.441 3.094 20 5 FGBDMO CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000103469973 495238179 /nfs/dbraw/zinc/23/81/79/495238179.db2.gz RNJVOICNWCOGDJ-KBPBESRZSA-N 1 1 351.422 3.251 20 5 FGBDMO Cc1cc(C)cc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000119825099 495249517 /nfs/dbraw/zinc/24/95/17/495249517.db2.gz QXJJWYVXMZRMPU-UHFFFAOYSA-N 1 1 353.422 3.170 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000119992884 495284376 /nfs/dbraw/zinc/28/43/76/495284376.db2.gz GIFSLNCHOOFEJH-UHFFFAOYSA-N 1 1 374.466 3.453 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000119992884 495284380 /nfs/dbraw/zinc/28/43/80/495284380.db2.gz GIFSLNCHOOFEJH-UHFFFAOYSA-N 1 1 374.466 3.453 20 5 FGBDMO CC[C@@H]1CCCC[N@H+]1CCNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000113345904 495298024 /nfs/dbraw/zinc/29/80/24/495298024.db2.gz BWDOPLMVURCLJN-GOSISDBHSA-N 1 1 371.485 3.349 20 5 FGBDMO CC[C@@H]1CCCCN1CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000113345904 495298026 /nfs/dbraw/zinc/29/80/26/495298026.db2.gz BWDOPLMVURCLJN-GOSISDBHSA-N 1 1 371.485 3.349 20 5 FGBDMO CCO[C@H]1C[C@@H]([N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1(C)C ZINC000120489021 495390043 /nfs/dbraw/zinc/39/00/43/495390043.db2.gz GKPKLODESFYXGL-CABCVRRESA-N 1 1 360.414 3.280 20 5 FGBDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1(C)C ZINC000120489021 495390044 /nfs/dbraw/zinc/39/00/44/495390044.db2.gz GKPKLODESFYXGL-CABCVRRESA-N 1 1 360.414 3.280 20 5 FGBDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000130636658 495422397 /nfs/dbraw/zinc/42/23/97/495422397.db2.gz NGIVTIDAOQIHRQ-OAHLLOKOSA-N 1 1 368.397 3.322 20 5 FGBDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000130636658 495422403 /nfs/dbraw/zinc/42/24/03/495422403.db2.gz NGIVTIDAOQIHRQ-OAHLLOKOSA-N 1 1 368.397 3.322 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@H+](C[C@@H](O)COCc2ccccc2F)C2CC2)cc1 ZINC000130688798 495430136 /nfs/dbraw/zinc/43/01/36/495430136.db2.gz MZXCFVDFHVWVNR-LJQANCHMSA-N 1 1 374.412 3.276 20 5 FGBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000115438673 495504636 /nfs/dbraw/zinc/50/46/36/495504636.db2.gz IBAJXGIHPWHLDD-CYBMUJFWSA-N 1 1 374.466 3.132 20 5 FGBDMO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1Cc2ccccc2C1 ZINC000141372353 495505406 /nfs/dbraw/zinc/50/54/06/495505406.db2.gz PRUTWIONQBDJCY-UHFFFAOYSA-N 1 1 350.378 3.244 20 5 FGBDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000115555266 495516681 /nfs/dbraw/zinc/51/66/81/495516681.db2.gz UJMZVKVUDWMQAV-NVXWUHKLSA-N 1 1 353.422 3.436 20 5 FGBDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000115555263 495516866 /nfs/dbraw/zinc/51/68/66/495516866.db2.gz UJMZVKVUDWMQAV-WBVHZDCISA-N 1 1 353.422 3.436 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@H](Nc4ccccc4)C3)n2)c1 ZINC000170688545 495565636 /nfs/dbraw/zinc/56/56/36/495565636.db2.gz PTHXOJYGTCOIGF-INIZCTEOSA-N 1 1 365.393 3.331 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@H](Nc4ccccc4)C3)n2)c1 ZINC000170688545 495565640 /nfs/dbraw/zinc/56/56/40/495565640.db2.gz PTHXOJYGTCOIGF-INIZCTEOSA-N 1 1 365.393 3.331 20 5 FGBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000173523460 495572387 /nfs/dbraw/zinc/57/23/87/495572387.db2.gz NKALZZZVVFQWLI-OAHLLOKOSA-N 1 1 368.437 3.035 20 5 FGBDMO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC[N@@H+]1Cc1ccccc1 ZINC000173522982 495572461 /nfs/dbraw/zinc/57/24/61/495572461.db2.gz ZXOFREYFZAAPKX-AWEZNQCLSA-N 1 1 359.451 3.393 20 5 FGBDMO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC[N@H+]1Cc1ccccc1 ZINC000173522982 495572462 /nfs/dbraw/zinc/57/24/62/495572462.db2.gz ZXOFREYFZAAPKX-AWEZNQCLSA-N 1 1 359.451 3.393 20 5 FGBDMO C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000185551801 495618102 /nfs/dbraw/zinc/61/81/02/495618102.db2.gz PDUXMWFNJRGOHX-FASAQXTFSA-N 1 1 371.412 3.399 20 5 FGBDMO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(OC(F)F)c1 ZINC000179575041 495647599 /nfs/dbraw/zinc/64/75/99/495647599.db2.gz NJRXPHKRJIIKFP-SNVBAGLBSA-N 1 1 365.336 3.146 20 5 FGBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000170901712 495647870 /nfs/dbraw/zinc/64/78/70/495647870.db2.gz ZKMXLFPTNVFLEP-UHFFFAOYSA-N 1 1 368.437 3.035 20 5 FGBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000170901712 495647872 /nfs/dbraw/zinc/64/78/72/495647872.db2.gz ZKMXLFPTNVFLEP-UHFFFAOYSA-N 1 1 368.437 3.035 20 5 FGBDMO NC(=O)c1ccc(C[N@H+]2CC[C@H](CSc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000173750451 495676548 /nfs/dbraw/zinc/67/65/48/495676548.db2.gz RCLQATOFZPAQQS-AWEZNQCLSA-N 1 1 371.462 3.308 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000182766421 495695212 /nfs/dbraw/zinc/69/52/12/495695212.db2.gz NGQQSLLSQUICMG-CABCVRRESA-N 1 1 355.442 3.382 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+](C[C@H]2CCCO2)C2CCCC2)c2c(c1)COCO2 ZINC000173842624 495716312 /nfs/dbraw/zinc/71/63/12/495716312.db2.gz LMKMPOPHKRSAOI-GOSISDBHSA-N 1 1 362.426 3.385 20 5 FGBDMO C[C@H]1C[C@@H]1c1ccc(C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C2CC2)o1 ZINC000159694823 495789966 /nfs/dbraw/zinc/78/99/66/495789966.db2.gz VJSWRGNZTMAYAZ-GUYCJALGSA-N 1 1 357.410 3.138 20 5 FGBDMO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C2CC2)o1 ZINC000159694823 495789972 /nfs/dbraw/zinc/78/99/72/495789972.db2.gz VJSWRGNZTMAYAZ-GUYCJALGSA-N 1 1 357.410 3.138 20 5 FGBDMO COc1ccc(OCC[N@@H+](CCc2nccs2)C(C)C)c([N+](=O)[O-])c1 ZINC000159805099 495813228 /nfs/dbraw/zinc/81/32/28/495813228.db2.gz XZRPFYRWCFJDGU-UHFFFAOYSA-N 1 1 365.455 3.392 20 5 FGBDMO CCOC(=O)C[C@H](C)[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000183185325 495871747 /nfs/dbraw/zinc/87/17/47/495871747.db2.gz HBQBNBIBQFKSOE-LBPRGKRZSA-N 1 1 363.439 3.492 20 5 FGBDMO CCOC(=O)C[C@H](C)[N@@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000183185325 495871752 /nfs/dbraw/zinc/87/17/52/495871752.db2.gz HBQBNBIBQFKSOE-LBPRGKRZSA-N 1 1 363.439 3.492 20 5 FGBDMO CCOc1ccc(C(=O)N2CC[N@@H+](C)CC23CCCCC3)cc1[N+](=O)[O-] ZINC000176995006 495875410 /nfs/dbraw/zinc/87/54/10/495875410.db2.gz RCIUPGIBWTXIDI-UHFFFAOYSA-N 1 1 361.442 3.084 20 5 FGBDMO CC[C@H](NC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000183213917 495883063 /nfs/dbraw/zinc/88/30/63/495883063.db2.gz WYIBXDHQKNWMBK-SZMVWBNQSA-N 1 1 360.458 3.172 20 5 FGBDMO C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000160143181 495895680 /nfs/dbraw/zinc/89/56/80/495895680.db2.gz RJEODXOXXWAWQH-SNVBAGLBSA-N 1 1 360.336 3.077 20 5 FGBDMO COc1ccc([C@H]2CC[N@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)cc1 ZINC000155299342 495910013 /nfs/dbraw/zinc/91/00/13/495910013.db2.gz UTDATLAIGHVOTC-INIZCTEOSA-N 1 1 369.421 3.340 20 5 FGBDMO COc1ccc([C@H]2CC[N@@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)cc1 ZINC000155299342 495910015 /nfs/dbraw/zinc/91/00/15/495910015.db2.gz UTDATLAIGHVOTC-INIZCTEOSA-N 1 1 369.421 3.340 20 5 FGBDMO O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000174326589 495910956 /nfs/dbraw/zinc/91/09/56/495910956.db2.gz IRTJTBFOALZQSJ-LJQANCHMSA-N 1 1 353.422 3.266 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000160266991 495922149 /nfs/dbraw/zinc/92/21/49/495922149.db2.gz GGFNJCAQVQEGQK-MRXNPFEDSA-N 1 1 362.474 3.091 20 5 FGBDMO CC[C@H](NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000151792195 495949748 /nfs/dbraw/zinc/94/97/48/495949748.db2.gz LAGRPFCNAWRBHM-RTWAWAEBSA-N 1 1 369.465 3.055 20 5 FGBDMO CC[C@H](NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000151792195 495949754 /nfs/dbraw/zinc/94/97/54/495949754.db2.gz LAGRPFCNAWRBHM-RTWAWAEBSA-N 1 1 369.465 3.055 20 5 FGBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000180344039 495959068 /nfs/dbraw/zinc/95/90/68/495959068.db2.gz NEUATHZKDWZBPO-CQSZACIVSA-N 1 1 368.437 3.412 20 5 FGBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000174512533 495989626 /nfs/dbraw/zinc/98/96/26/495989626.db2.gz DIKVUULMHPRZKG-CYBMUJFWSA-N 1 1 374.466 3.132 20 5 FGBDMO Cc1c(Br)c(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)ncc1[N+](=O)[O-] ZINC000577918321 505817208 /nfs/dbraw/zinc/81/72/08/505817208.db2.gz OWHWGQSZVVRKRW-WCBMZHEXSA-N 1 1 355.236 3.098 20 5 FGBDMO Cc1c(Br)c(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)ncc1[N+](=O)[O-] ZINC000577918321 505817211 /nfs/dbraw/zinc/81/72/11/505817211.db2.gz OWHWGQSZVVRKRW-WCBMZHEXSA-N 1 1 355.236 3.098 20 5 FGBDMO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000174550836 496005842 /nfs/dbraw/zinc/00/58/42/496005842.db2.gz ZYWCFXHQKXBGSD-OAHLLOKOSA-N 1 1 359.430 3.026 20 5 FGBDMO C[NH+](C)[C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])c1ccccc1Cl ZINC000183614748 496048888 /nfs/dbraw/zinc/04/88/88/496048888.db2.gz UPLNTMORCUOZLR-CQSZACIVSA-N 1 1 363.805 3.068 20 5 FGBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000160885936 496061124 /nfs/dbraw/zinc/06/11/24/496061124.db2.gz WKUCQLAFZXCQRP-GOEBONIOSA-N 1 1 368.437 3.029 20 5 FGBDMO CC[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1c(C)noc1C ZINC000155881212 496095634 /nfs/dbraw/zinc/09/56/34/496095634.db2.gz ZLLAJEBXCSQCQD-JKSUJKDBSA-N 1 1 358.398 3.046 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000580741097 505826694 /nfs/dbraw/zinc/82/66/94/505826694.db2.gz JMMAHLOTOHIDPY-RVDMUPIBSA-N 1 1 356.401 3.354 20 5 FGBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000174916611 496163976 /nfs/dbraw/zinc/16/39/76/496163976.db2.gz GCWWVZFTMURGEY-IBGZPJMESA-N 1 1 367.449 3.118 20 5 FGBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000174941650 496174626 /nfs/dbraw/zinc/17/46/26/496174626.db2.gz DMEIAPMMTIENBH-MRXNPFEDSA-N 1 1 371.412 3.328 20 5 FGBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000174941633 496174783 /nfs/dbraw/zinc/17/47/83/496174783.db2.gz DMEIAPMMTIENBH-INIZCTEOSA-N 1 1 371.412 3.328 20 5 FGBDMO Cc1ccc(NC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)cc1[N+](=O)[O-] ZINC000156388388 496231638 /nfs/dbraw/zinc/23/16/38/496231638.db2.gz WIQWQFXZBWVTCE-UHFFFAOYSA-N 1 1 357.414 3.123 20 5 FGBDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000175064059 496233325 /nfs/dbraw/zinc/23/33/25/496233325.db2.gz MMVWZOOIJZXWDY-UONOGXRCSA-N 1 1 351.834 3.336 20 5 FGBDMO CCOc1ccc(NC(=O)CC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000177887804 496240314 /nfs/dbraw/zinc/24/03/14/496240314.db2.gz REMCFESNLRNCRV-UHFFFAOYSA-N 1 1 357.410 3.454 20 5 FGBDMO CC(C)(O)C[N@@H+](Cc1ccccc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000181146370 496287487 /nfs/dbraw/zinc/28/74/87/496287487.db2.gz RMSVHBYWKXEMRG-UHFFFAOYSA-N 1 1 372.421 3.234 20 5 FGBDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)c3c(N)cccc3[N+](=O)[O-])c2C1 ZINC000181235232 496322432 /nfs/dbraw/zinc/32/24/32/496322432.db2.gz YSQHALZTPQUJFO-UHFFFAOYSA-N 1 1 354.410 3.401 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2C)cn1 ZINC000162455340 496355454 /nfs/dbraw/zinc/35/54/54/496355454.db2.gz ISJWVISEJLKYAB-UHFFFAOYSA-N 1 1 366.381 3.114 20 5 FGBDMO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000184470762 496398252 /nfs/dbraw/zinc/39/82/52/496398252.db2.gz SHZHAFTVZOCCJL-HNNXBMFYSA-N 1 1 350.415 3.027 20 5 FGBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000153305604 496414156 /nfs/dbraw/zinc/41/41/56/496414156.db2.gz DODDYRRFEUKHEA-APWZRJJASA-N 1 1 357.454 3.003 20 5 FGBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000153305714 496414446 /nfs/dbraw/zinc/41/44/46/496414446.db2.gz DODDYRRFEUKHEA-QFBILLFUSA-N 1 1 357.454 3.003 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157344996 496458958 /nfs/dbraw/zinc/45/89/58/496458958.db2.gz FDXFZKUVIPHENR-QGZVFWFLSA-N 1 1 374.485 3.182 20 5 FGBDMO CCOc1ccc([C@@H](C)[NH2+]C2CCN(CCCOC)CC2)cc1[N+](=O)[O-] ZINC000153512595 496480901 /nfs/dbraw/zinc/48/09/01/496480901.db2.gz UYVKMDRJZDWAEY-OAHLLOKOSA-N 1 1 365.474 3.145 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCO[C@@]4(CCOC4)C3)s2)cc1 ZINC000187535301 496482050 /nfs/dbraw/zinc/48/20/50/496482050.db2.gz FZZGKGWZKYDUAR-SFHVURJKSA-N 1 1 360.435 3.315 20 5 FGBDMO O=C(CC1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000163314276 496498005 /nfs/dbraw/zinc/49/80/05/496498005.db2.gz BXLKKCMFDMEVNR-UHFFFAOYSA-N 1 1 365.861 3.473 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000184700986 496499304 /nfs/dbraw/zinc/49/93/04/496499304.db2.gz JBEIRZOACLFRPP-RHSMWYFYSA-N 1 1 358.442 3.121 20 5 FGBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)c1 ZINC000163548780 496530161 /nfs/dbraw/zinc/53/01/61/496530161.db2.gz BELFPHQAYAXZOU-UHFFFAOYSA-N 1 1 371.437 3.244 20 5 FGBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](CC)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000184829998 496549022 /nfs/dbraw/zinc/54/90/22/496549022.db2.gz ZWPGCTXWMPVOQI-MSOLQXFVSA-N 1 1 361.486 3.354 20 5 FGBDMO CCNc1ccc(C(=O)Nc2c[nH+]ccc2-n2cc(C)cn2)cc1[N+](=O)[O-] ZINC000158067167 496619922 /nfs/dbraw/zinc/61/99/22/496619922.db2.gz KVYASHGLSNCCPX-UHFFFAOYSA-N 1 1 366.381 3.168 20 5 FGBDMO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181978788 496621400 /nfs/dbraw/zinc/62/14/00/496621400.db2.gz GRVWVEUANGRWSU-DNVCBOLYSA-N 1 1 374.462 3.247 20 5 FGBDMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181978788 496621405 /nfs/dbraw/zinc/62/14/05/496621405.db2.gz GRVWVEUANGRWSU-DNVCBOLYSA-N 1 1 374.462 3.247 20 5 FGBDMO C[N@H+](CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)Cc1ccccc1 ZINC000153931472 496626774 /nfs/dbraw/zinc/62/67/74/496626774.db2.gz OERRSRLWEKECQJ-UHFFFAOYSA-N 1 1 353.422 3.218 20 5 FGBDMO C[N@@H+](CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)Cc1ccccc1 ZINC000153931472 496626778 /nfs/dbraw/zinc/62/67/78/496626778.db2.gz OERRSRLWEKECQJ-UHFFFAOYSA-N 1 1 353.422 3.218 20 5 FGBDMO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000153966966 496638789 /nfs/dbraw/zinc/63/87/89/496638789.db2.gz AAERDIRGRRXVGQ-MRXNPFEDSA-N 1 1 374.466 3.131 20 5 FGBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000153966966 496638790 /nfs/dbraw/zinc/63/87/90/496638790.db2.gz AAERDIRGRRXVGQ-MRXNPFEDSA-N 1 1 374.466 3.131 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000182065921 496656170 /nfs/dbraw/zinc/65/61/70/496656170.db2.gz KCRQLZBAXAKWBH-HKUYNNGSSA-N 1 1 368.433 3.486 20 5 FGBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185092446 496657028 /nfs/dbraw/zinc/65/70/28/496657028.db2.gz AKCQRNRKXCMAMC-MCIONIFRSA-N 1 1 351.422 3.074 20 5 FGBDMO CC(C)[C@H]1C[N@@H+](C)CCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000182134436 496682095 /nfs/dbraw/zinc/68/20/95/496682095.db2.gz VPFATWMLLVYMSM-QGZVFWFLSA-N 1 1 360.483 3.490 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000182192886 496702440 /nfs/dbraw/zinc/70/24/40/496702440.db2.gz GHWGQPMXEBCFOJ-SFHVURJKSA-N 1 1 372.396 3.263 20 5 FGBDMO CCC[C@@]1(COC)CCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000194933457 496765865 /nfs/dbraw/zinc/76/58/65/496765865.db2.gz SNAYWXKMQLIGPP-SFHVURJKSA-N 1 1 350.415 3.242 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCO[C@@H]([C@H]4CCCO4)C3)o2)c1 ZINC000247060108 496766796 /nfs/dbraw/zinc/76/67/96/496766796.db2.gz VIGOLWDXYLXGLR-RTBURBONSA-N 1 1 358.394 3.235 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCO[C@@H]([C@H]4CCCO4)C3)o2)c1 ZINC000247060108 496766800 /nfs/dbraw/zinc/76/68/00/496766800.db2.gz VIGOLWDXYLXGLR-RTBURBONSA-N 1 1 358.394 3.235 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000247089342 496775765 /nfs/dbraw/zinc/77/57/65/496775765.db2.gz WJHWXZNBLICBID-HUUCEWRRSA-N 1 1 363.433 3.461 20 5 FGBDMO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)n1 ZINC000191544775 496806146 /nfs/dbraw/zinc/80/61/46/496806146.db2.gz QYVXBWFKXOHPTB-CQSZACIVSA-N 1 1 371.441 3.295 20 5 FGBDMO CCCNC(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000264227667 496845123 /nfs/dbraw/zinc/84/51/23/496845123.db2.gz XJCVWCZEVQIILD-UHFFFAOYSA-N 1 1 363.458 3.120 20 5 FGBDMO COc1cccc(NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1[N+](=O)[O-] ZINC000195269767 496870952 /nfs/dbraw/zinc/87/09/52/496870952.db2.gz YJBQUWQPDZKMLU-QGZVFWFLSA-N 1 1 371.437 3.172 20 5 FGBDMO C[C@H](c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000264406404 496894244 /nfs/dbraw/zinc/89/42/44/496894244.db2.gz FQYKCEWLUSTKJL-CQSZACIVSA-N 1 1 355.394 3.240 20 5 FGBDMO C[C@H](c1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000264459085 496905480 /nfs/dbraw/zinc/90/54/80/496905480.db2.gz PKCLOQMMZFXWFR-OAHLLOKOSA-N 1 1 369.421 3.169 20 5 FGBDMO Cc1cc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000270214966 497079368 /nfs/dbraw/zinc/07/93/68/497079368.db2.gz MELGCONTPZOLFQ-OAHLLOKOSA-N 1 1 364.409 3.467 20 5 FGBDMO O=[N+]([O-])c1cc(C[NH2+][C@H](CCO)c2ccco2)ccc1Br ZINC000274376750 497083278 /nfs/dbraw/zinc/08/32/78/497083278.db2.gz IANYFBIDFGOIDG-GFCCVEGCSA-N 1 1 355.188 3.164 20 5 FGBDMO Cc1cc(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000248997160 497148195 /nfs/dbraw/zinc/14/81/95/497148195.db2.gz GXJPLEWNLCGMRI-WMZOPIPTSA-N 1 1 354.410 3.470 20 5 FGBDMO CC[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H](O)C(F)(F)F ZINC000189545875 497157855 /nfs/dbraw/zinc/15/78/55/497157855.db2.gz FHFOMGPFHHJWGY-CQSZACIVSA-N 1 1 373.331 3.037 20 5 FGBDMO CCc1ccc(C[NH+]2CCN(c3c([N+](=O)[O-])c(C)nn3CC)CC2)s1 ZINC000192610768 497163434 /nfs/dbraw/zinc/16/34/34/497163434.db2.gz KSQKUPLOWYAUKD-UHFFFAOYSA-N 1 1 363.487 3.066 20 5 FGBDMO COC[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCCO1 ZINC000278786882 497221212 /nfs/dbraw/zinc/22/12/12/497221212.db2.gz ZSNYSDMZGWOXFG-JKSUJKDBSA-N 1 1 363.439 3.002 20 5 FGBDMO COc1ccc([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000249871072 497254128 /nfs/dbraw/zinc/25/41/28/497254128.db2.gz JVGNSBYXZZHAEP-GOEBONIOSA-N 1 1 369.421 3.420 20 5 FGBDMO CCn1nccc1C1CC[NH+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000278939523 497274732 /nfs/dbraw/zinc/27/47/32/497274732.db2.gz UIBBHRGXIMQDHF-UHFFFAOYSA-N 1 1 362.405 3.339 20 5 FGBDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C/C=C\c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000255448547 497367330 /nfs/dbraw/zinc/36/73/30/497367330.db2.gz PQBHJADKORTCQH-XTFWMQFUSA-N 1 1 359.470 3.182 20 5 FGBDMO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2C/C=C\c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000255448547 497367335 /nfs/dbraw/zinc/36/73/35/497367335.db2.gz PQBHJADKORTCQH-XTFWMQFUSA-N 1 1 359.470 3.182 20 5 FGBDMO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2C/C=C\c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000255448547 497367338 /nfs/dbraw/zinc/36/73/38/497367338.db2.gz PQBHJADKORTCQH-XTFWMQFUSA-N 1 1 359.470 3.182 20 5 FGBDMO O=C1C[C@H](c2ccccc2)[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCN1 ZINC000255691928 497373844 /nfs/dbraw/zinc/37/38/44/497373844.db2.gz FKTYAEUHLMNHNM-FUKWUPMWSA-N 1 1 351.406 3.171 20 5 FGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000245383726 497379244 /nfs/dbraw/zinc/37/92/44/497379244.db2.gz RDTUHVPMPCDVNW-GOEBONIOSA-N 1 1 354.410 3.108 20 5 FGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000245383726 497379245 /nfs/dbraw/zinc/37/92/45/497379245.db2.gz RDTUHVPMPCDVNW-GOEBONIOSA-N 1 1 354.410 3.108 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)C[C@H]1CCCC[C@H]1O ZINC000245528157 497441338 /nfs/dbraw/zinc/44/13/38/497441338.db2.gz BHTVOPOJEGZVMT-XNRPHZJLSA-N 1 1 360.414 3.189 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c(F)c1 ZINC000267017879 497470555 /nfs/dbraw/zinc/47/05/55/497470555.db2.gz JSQUQSRAQZJNLJ-OAHLLOKOSA-N 1 1 373.432 3.431 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c(F)c1 ZINC000267017879 497470559 /nfs/dbraw/zinc/47/05/59/497470559.db2.gz JSQUQSRAQZJNLJ-OAHLLOKOSA-N 1 1 373.432 3.431 20 5 FGBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000245644276 497485585 /nfs/dbraw/zinc/48/55/85/497485585.db2.gz LDFZMTGBLPITTH-PKOBYXMFSA-N 1 1 368.437 3.182 20 5 FGBDMO C[N@@H+]1CC[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000245669293 497494764 /nfs/dbraw/zinc/49/47/64/497494764.db2.gz HCLWJBKLWKEOFW-WMLDXEAASA-N 1 1 374.828 3.006 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000245669293 497494769 /nfs/dbraw/zinc/49/47/69/497494769.db2.gz HCLWJBKLWKEOFW-WMLDXEAASA-N 1 1 374.828 3.006 20 5 FGBDMO C[N@@H+]1CC[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000245669291 497495729 /nfs/dbraw/zinc/49/57/29/497495729.db2.gz HCLWJBKLWKEOFW-RHSMWYFYSA-N 1 1 374.828 3.006 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000245669291 497495733 /nfs/dbraw/zinc/49/57/33/497495733.db2.gz HCLWJBKLWKEOFW-RHSMWYFYSA-N 1 1 374.828 3.006 20 5 FGBDMO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000272494501 497643634 /nfs/dbraw/zinc/64/36/34/497643634.db2.gz HRHXZHRWYMZBOP-HUUCEWRRSA-N 1 1 361.442 3.027 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000272494501 497643636 /nfs/dbraw/zinc/64/36/36/497643636.db2.gz HRHXZHRWYMZBOP-HUUCEWRRSA-N 1 1 361.442 3.027 20 5 FGBDMO COc1cc(C[NH2+]Cc2cccc(O)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272524122 497651410 /nfs/dbraw/zinc/65/14/10/497651410.db2.gz YTTPTBZMJNGPQN-UHFFFAOYSA-N 1 1 368.336 3.243 20 5 FGBDMO Cc1nc(CC[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)sc1C ZINC000272576332 497667496 /nfs/dbraw/zinc/66/74/96/497667496.db2.gz XCLFVRTWGNXETF-QGZVFWFLSA-N 1 1 371.466 3.323 20 5 FGBDMO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc2c(c1)OCCO2 ZINC000268082022 497674864 /nfs/dbraw/zinc/67/48/64/497674864.db2.gz GSNZWCUUNCERHV-LBPRGKRZSA-N 1 1 372.377 3.083 20 5 FGBDMO C[C@H](NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000246283575 497683500 /nfs/dbraw/zinc/68/35/00/497683500.db2.gz IAJKKUHQICUBNK-QOKNQOGYSA-N 1 1 372.469 3.314 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H](C)c1cccnc1 ZINC000299575012 497853103 /nfs/dbraw/zinc/85/31/03/497853103.db2.gz HLWUGWYDHRTEGN-CYBMUJFWSA-N 1 1 358.398 3.020 20 5 FGBDMO CC[C@H](c1ccncc1)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000299574941 497853868 /nfs/dbraw/zinc/85/38/68/497853868.db2.gz HJWUWINMPXFBFA-QGZVFWFLSA-N 1 1 372.425 3.410 20 5 FGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000292081866 497869411 /nfs/dbraw/zinc/86/94/11/497869411.db2.gz FVXCCCPYDRMAKQ-XJKSGUPXSA-N 1 1 372.425 3.454 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)c([N+](=O)[O-])cc1OC(F)F ZINC000284876938 497929766 /nfs/dbraw/zinc/92/97/66/497929766.db2.gz SVJLXLGVFRNYKR-JSGCOSHPSA-N 1 1 372.368 3.348 20 5 FGBDMO COC[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000284902428 497936275 /nfs/dbraw/zinc/93/62/75/497936275.db2.gz CGIJLXXGKMOJES-QFYYESIMSA-N 1 1 351.353 3.494 20 5 FGBDMO COc1ccc(C[N@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000288982125 497969079 /nfs/dbraw/zinc/96/90/79/497969079.db2.gz ZIGOYHRXDFNPKS-HXUWFJFHSA-N 1 1 374.412 3.170 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000292382454 497994421 /nfs/dbraw/zinc/99/44/21/497994421.db2.gz RSSFSQBBBZJSKJ-HOCLYGCPSA-N 1 1 374.485 3.036 20 5 FGBDMO CCN1CC[NH+](Cc2ccccc2CNc2nccc(C)c2[N+](=O)[O-])CC1 ZINC000301251117 498020456 /nfs/dbraw/zinc/02/04/56/498020456.db2.gz CAYROAOTMAQZQU-UHFFFAOYSA-N 1 1 369.469 3.048 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1ncc([N+](=O)[O-])cc1Cl ZINC000301285537 498037543 /nfs/dbraw/zinc/03/75/43/498037543.db2.gz QMLDIBJZGPCWNY-LRDDRELGSA-N 1 1 361.833 3.361 20 5 FGBDMO CC[N@@H+](Cc1ccc(C(=O)N(C)c2ccc([N+](=O)[O-])nc2)cc1)C(C)C ZINC000281219528 498060185 /nfs/dbraw/zinc/06/01/85/498060185.db2.gz RILDUJOHTJYRED-UHFFFAOYSA-N 1 1 356.426 3.497 20 5 FGBDMO C[C@@H](CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)[N@H+]1CCC[C@H](C)C1 ZINC000301366057 498076010 /nfs/dbraw/zinc/07/60/10/498076010.db2.gz NPEOOPWNHNGFPF-KBPBESRZSA-N 1 1 362.430 3.084 20 5 FGBDMO COc1ccc(OCC[NH2+][C@H](C)c2c(F)cncc2F)c([N+](=O)[O-])c1 ZINC000285481893 498100155 /nfs/dbraw/zinc/10/01/55/498100155.db2.gz BSRZQSMZUXHXFG-SNVBAGLBSA-N 1 1 353.325 3.006 20 5 FGBDMO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000364727101 498115758 /nfs/dbraw/zinc/11/57/58/498115758.db2.gz CRGHQHANOQUJFQ-RYUDHWBXSA-N 1 1 372.347 3.362 20 5 FGBDMO O=[N+]([O-])c1cc(C[NH2+]Cc2cnn(CC(F)F)c2)cc(C(F)(F)F)c1 ZINC000292741357 498128841 /nfs/dbraw/zinc/12/88/41/498128841.db2.gz QPTSIMAHOGQUDP-UHFFFAOYSA-N 1 1 364.274 3.365 20 5 FGBDMO C[N@H+]1CC[C@@H]2OCCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)[C@@H]2C1 ZINC000581444621 505990223 /nfs/dbraw/zinc/99/02/23/505990223.db2.gz SKTFVAUOUUHPGL-MSOLQXFVSA-N 1 1 373.478 3.228 20 5 FGBDMO O=[N+]([O-])c1cc(Br)cnc1N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000301629795 498197386 /nfs/dbraw/zinc/19/73/86/498197386.db2.gz BAUAFUIHAIJODQ-NSHDSACASA-N 1 1 355.236 3.181 20 5 FGBDMO CC[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCCc2cccnc21 ZINC000364996539 498245819 /nfs/dbraw/zinc/24/58/19/498245819.db2.gz AUHTUCLKENTHTJ-SJLPKXTDSA-N 1 1 371.437 3.129 20 5 FGBDMO COC(=O)c1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc(C)c1[N+](=O)[O-] ZINC000301785954 498263255 /nfs/dbraw/zinc/26/32/55/498263255.db2.gz OWRCNEUGKRDXMD-KBXCAEBGSA-N 1 1 373.453 3.143 20 5 FGBDMO COC(=O)c1cc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc(C)c1[N+](=O)[O-] ZINC000301785956 498263761 /nfs/dbraw/zinc/26/37/61/498263761.db2.gz OWRCNEUGKRDXMD-KSSFIOAISA-N 1 1 373.453 3.143 20 5 FGBDMO Cc1cc(N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301833376 498284860 /nfs/dbraw/zinc/28/48/60/498284860.db2.gz SCEDEBRVUKMZCI-CXAGYDPISA-N 1 1 355.442 3.137 20 5 FGBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293208938 498306696 /nfs/dbraw/zinc/30/66/96/498306696.db2.gz AZCJRDAKUGIYRJ-UHFFFAOYSA-N 1 1 370.331 3.281 20 5 FGBDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000286171309 498313159 /nfs/dbraw/zinc/31/31/59/498313159.db2.gz WUBPGUJWKMHALI-XJKSGUPXSA-N 1 1 360.414 3.160 20 5 FGBDMO C[C@@H]1C[N@H+](C(C)(C)CNc2ccc([N+](=O)[O-])cc2OC(F)F)C[C@H](C)O1 ZINC000302072260 498396635 /nfs/dbraw/zinc/39/66/35/498396635.db2.gz ZFGAVTOVRVHTHF-TXEJJXNPSA-N 1 1 373.400 3.496 20 5 FGBDMO C[C@@H]1C[N@@H+](C(C)(C)CNc2ccc([N+](=O)[O-])cc2OC(F)F)C[C@H](C)O1 ZINC000302072260 498396639 /nfs/dbraw/zinc/39/66/39/498396639.db2.gz ZFGAVTOVRVHTHF-TXEJJXNPSA-N 1 1 373.400 3.496 20 5 FGBDMO CC(C)[N@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000293610532 498428145 /nfs/dbraw/zinc/42/81/45/498428145.db2.gz WMVBEHRBXYCUCQ-LLVKDONJSA-N 1 1 359.348 3.216 20 5 FGBDMO NC(=O)c1ccc(C[NH+]2CCC(c3ncccc3Cl)CC2)c([N+](=O)[O-])c1 ZINC000365413823 498454826 /nfs/dbraw/zinc/45/48/26/498454826.db2.gz QDYCCCGZUGDQPI-UHFFFAOYSA-N 1 1 374.828 3.122 20 5 FGBDMO CC[NH+]1CCN(C[C@@H](C)CNc2cc(C)nc3c2cccc3[N+](=O)[O-])CC1 ZINC000302698335 498536859 /nfs/dbraw/zinc/53/68/59/498536859.db2.gz WTALWYZFFSAKQZ-HNNXBMFYSA-N 1 1 371.485 3.137 20 5 FGBDMO Cc1cc(CNC(=O)Cc2cccc([N+](=O)[O-])c2C)cc(N2CCCC2)[nH+]1 ZINC000290455751 498559626 /nfs/dbraw/zinc/55/96/26/498559626.db2.gz UYEHHRGKSVJTOR-UHFFFAOYSA-N 1 1 368.437 3.066 20 5 FGBDMO Cc1nc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1[N+](=O)[O-] ZINC000302782219 498571777 /nfs/dbraw/zinc/57/17/77/498571777.db2.gz KCUZWOAURHAECV-QGZVFWFLSA-N 1 1 356.426 3.001 20 5 FGBDMO O=[N+]([O-])c1c(F)cccc1NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000302798817 498579982 /nfs/dbraw/zinc/57/99/82/498579982.db2.gz RQKRBDURXGPYSD-INIZCTEOSA-N 1 1 359.401 3.437 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](Oc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000576035667 506060843 /nfs/dbraw/zinc/06/08/43/506060843.db2.gz UITDCFSWJSRXPA-WBVHZDCISA-N 1 1 369.421 3.384 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@H](Oc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000576035667 506060846 /nfs/dbraw/zinc/06/08/46/506060846.db2.gz UITDCFSWJSRXPA-WBVHZDCISA-N 1 1 369.421 3.384 20 5 FGBDMO Cc1c(CC(=O)N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cccc1[N+](=O)[O-] ZINC000332382286 498670070 /nfs/dbraw/zinc/67/00/70/498670070.db2.gz GJOLXDZSAKMPMT-RVKKMQEKSA-N 1 1 359.470 3.310 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000298221644 498700977 /nfs/dbraw/zinc/70/09/77/498700977.db2.gz GBQPIMHXMUWGAE-GOEBONIOSA-N 1 1 353.369 3.209 20 5 FGBDMO CC(C)c1ccc(C[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)cc1[N+](=O)[O-] ZINC000332564402 498727119 /nfs/dbraw/zinc/72/71/19/498727119.db2.gz AKPBHUOFTPIPJS-SJORKVTESA-N 1 1 360.458 3.095 20 5 FGBDMO CC(C)c1ccc(C[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)cc1[N+](=O)[O-] ZINC000332564402 498727121 /nfs/dbraw/zinc/72/71/21/498727121.db2.gz AKPBHUOFTPIPJS-SJORKVTESA-N 1 1 360.458 3.095 20 5 FGBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000332651824 498753766 /nfs/dbraw/zinc/75/37/66/498753766.db2.gz UTOWKQHTWZASQD-ZIAGYGMSSA-N 1 1 351.834 3.255 20 5 FGBDMO Cc1nc(N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000312119896 498758791 /nfs/dbraw/zinc/75/87/91/498758791.db2.gz UJFTVYFOFMMMPC-MSOLQXFVSA-N 1 1 352.438 3.257 20 5 FGBDMO CNc1c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000312552003 498761447 /nfs/dbraw/zinc/76/14/47/498761447.db2.gz XKWOQQJNPXPPES-RHSMWYFYSA-N 1 1 368.437 3.029 20 5 FGBDMO CNc1c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cccc1[N+](=O)[O-] ZINC000312552013 498761502 /nfs/dbraw/zinc/76/15/02/498761502.db2.gz XKWOQQJNPXPPES-YOEHRIQHSA-N 1 1 368.437 3.029 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)cs1 ZINC000298746868 498868026 /nfs/dbraw/zinc/86/80/26/498868026.db2.gz IAZWEBSUEQFCOW-AWEZNQCLSA-N 1 1 361.471 3.354 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)cs1 ZINC000298746868 498868031 /nfs/dbraw/zinc/86/80/31/498868031.db2.gz IAZWEBSUEQFCOW-AWEZNQCLSA-N 1 1 361.471 3.354 20 5 FGBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000291266664 498868865 /nfs/dbraw/zinc/86/88/65/498868865.db2.gz DNGBTEYGMGMYLU-QMTHXVAHSA-N 1 1 372.252 3.458 20 5 FGBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@H]2[C@H]1c1ccccc1 ZINC000363562078 498879296 /nfs/dbraw/zinc/87/92/96/498879296.db2.gz IFCAEJIQZKMZFI-LSBZLQRGSA-N 1 1 369.396 3.109 20 5 FGBDMO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283701797 498961682 /nfs/dbraw/zinc/96/16/82/498961682.db2.gz YKKPPAXUHCVPPU-CYBMUJFWSA-N 1 1 353.394 3.081 20 5 FGBDMO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283701797 498961687 /nfs/dbraw/zinc/96/16/87/498961687.db2.gz YKKPPAXUHCVPPU-CYBMUJFWSA-N 1 1 353.394 3.081 20 5 FGBDMO CC(C)[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1nc(C2CC2)no1 ZINC000299108655 498967044 /nfs/dbraw/zinc/96/70/44/498967044.db2.gz VEKJJIBXWWFXAY-INIZCTEOSA-N 1 1 373.413 3.171 20 5 FGBDMO CC[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1nnc2n1CCCCC2 ZINC000284031472 499034812 /nfs/dbraw/zinc/03/48/12/499034812.db2.gz JIXSIDOLMNJXRG-IUODEOHRSA-N 1 1 358.446 3.297 20 5 FGBDMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC)C1 ZINC000284091858 499046854 /nfs/dbraw/zinc/04/68/54/499046854.db2.gz SRFQAYYNYNMUIY-OAHLLOKOSA-N 1 1 372.473 3.041 20 5 FGBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000369993829 499162611 /nfs/dbraw/zinc/16/26/11/499162611.db2.gz FGJUJVNSAIBOJN-HNNXBMFYSA-N 1 1 368.437 3.035 20 5 FGBDMO Cc1c([C@@H]2CCC[N@H+]2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cnn1C ZINC000367270232 499171000 /nfs/dbraw/zinc/17/10/00/499171000.db2.gz KNKAPGRIWRSCGR-SFHVURJKSA-N 1 1 371.441 3.111 20 5 FGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@H](c2ccccc2)[C@@H](CO)C1 ZINC000367532363 499209641 /nfs/dbraw/zinc/20/96/41/499209641.db2.gz ZSXKAQBLMUHOIO-MSOLQXFVSA-N 1 1 356.422 3.072 20 5 FGBDMO CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000367583507 499215112 /nfs/dbraw/zinc/21/51/12/499215112.db2.gz SCEONGFWASUAHV-HNNXBMFYSA-N 1 1 357.414 3.359 20 5 FGBDMO O=C(NCc1c[nH+]c2n1CCCC2)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000367653020 499221419 /nfs/dbraw/zinc/22/14/19/499221419.db2.gz KHUISUZKFRQSMF-UHFFFAOYSA-N 1 1 372.428 3.144 20 5 FGBDMO Cc1cccc(NC2CCN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)[nH+]1 ZINC000370529707 499229238 /nfs/dbraw/zinc/22/92/38/499229238.db2.gz WHFWIOLVBFEJEN-UHFFFAOYSA-N 1 1 371.397 3.283 20 5 FGBDMO Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)c3ccccc3[N+](=O)[O-])[C@H](C)C2)s1 ZINC000370960483 499274987 /nfs/dbraw/zinc/27/49/87/499274987.db2.gz GNYOIMTUXFNZAF-MLGOLLRUSA-N 1 1 374.466 3.000 20 5 FGBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCN(c2cccc(F)c2)CC1 ZINC000371005766 499279473 /nfs/dbraw/zinc/27/94/73/499279473.db2.gz PLBNSMCPHFJUJT-FQEVSTJZSA-N 1 1 373.428 3.368 20 5 FGBDMO CC(C)c1nc(CN2CCC[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)no1 ZINC000371548569 499340800 /nfs/dbraw/zinc/34/08/00/499340800.db2.gz NCTOIUHTRACDFK-HNNXBMFYSA-N 1 1 373.457 3.370 20 5 FGBDMO CC(C)c1nc(CN2CCC[N@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)no1 ZINC000371548569 499340801 /nfs/dbraw/zinc/34/08/01/499340801.db2.gz NCTOIUHTRACDFK-HNNXBMFYSA-N 1 1 373.457 3.370 20 5 FGBDMO CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000371783343 499364898 /nfs/dbraw/zinc/36/48/98/499364898.db2.gz ICOYCDCGABWIRS-HIFRSBDPSA-N 1 1 374.416 3.288 20 5 FGBDMO COc1cc(C(=O)N2CCC[C@H]2CNc2cccc(C)[nH+]2)ccc1[N+](=O)[O-] ZINC000369496498 499409260 /nfs/dbraw/zinc/40/92/60/499409260.db2.gz MGWKQRDBDIUILT-HNNXBMFYSA-N 1 1 370.409 3.024 20 5 FGBDMO C[N@H+]1CC[C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000369542296 499415121 /nfs/dbraw/zinc/41/51/21/499415121.db2.gz ZUAKHZRFZPVIGY-WBMJQRKESA-N 1 1 360.439 3.471 20 5 FGBDMO O=C(CC[N@H+]1CC[C@@H](Cc2ccncc2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000373420611 499468766 /nfs/dbraw/zinc/46/87/66/499468766.db2.gz DICLGHBUBHTWMJ-HNNXBMFYSA-N 1 1 372.400 3.022 20 5 FGBDMO COc1cc(C[NH+]2CCC(c3c[nH]nc3C)CC2)c([N+](=O)[O-])cc1OC ZINC000375272829 499501670 /nfs/dbraw/zinc/50/16/70/499501670.db2.gz TYCIHNLHYKRZAM-UHFFFAOYSA-N 1 1 360.414 3.023 20 5 FGBDMO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c(C)c1 ZINC000375406655 499514914 /nfs/dbraw/zinc/51/49/14/499514914.db2.gz WWBFTAOZIATGCH-HOTGVXAUSA-N 1 1 371.441 3.072 20 5 FGBDMO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c(C)c1 ZINC000375406655 499514916 /nfs/dbraw/zinc/51/49/16/499514916.db2.gz WWBFTAOZIATGCH-HOTGVXAUSA-N 1 1 371.441 3.072 20 5 FGBDMO CC1(C)CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000383065125 499546070 /nfs/dbraw/zinc/54/60/70/499546070.db2.gz DDKVJQIUZDNCLD-UHFFFAOYSA-N 1 1 371.412 3.471 20 5 FGBDMO CC1(C)CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000383065125 499546072 /nfs/dbraw/zinc/54/60/72/499546072.db2.gz DDKVJQIUZDNCLD-UHFFFAOYSA-N 1 1 371.412 3.471 20 5 FGBDMO C[C@]1(CNc2ccc(C(N)=O)cc2[N+](=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000397927598 499565055 /nfs/dbraw/zinc/56/50/55/499565055.db2.gz SPMJGJOHFCCEAO-HXUWFJFHSA-N 1 1 368.437 3.160 20 5 FGBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000377545330 499703095 /nfs/dbraw/zinc/70/30/95/499703095.db2.gz BVAIVILXMROCFG-AEFFLSMTSA-N 1 1 360.458 3.142 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]1c1cc(C)no1 ZINC000411168743 499705802 /nfs/dbraw/zinc/70/58/02/499705802.db2.gz BEUHCUHLJKORFV-HNNXBMFYSA-N 1 1 374.397 3.066 20 5 FGBDMO COc1ccc(NC(=O)CC[N@H+]2Cc3ccccc3C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000411305135 499724059 /nfs/dbraw/zinc/72/40/59/499724059.db2.gz DPUZSVXLIPSYFD-AWEZNQCLSA-N 1 1 369.421 3.379 20 5 FGBDMO COc1ccc(C(=O)N2CCC[C@H]2Cn2cc[nH+]c2C(C)C)cc1[N+](=O)[O-] ZINC000377791480 499734466 /nfs/dbraw/zinc/73/44/66/499734466.db2.gz FNEGBDQXYJNNBG-HNNXBMFYSA-N 1 1 372.425 3.228 20 5 FGBDMO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000377820681 499738525 /nfs/dbraw/zinc/73/85/25/499738525.db2.gz GXEXDSKUUINCTC-OBJOEFQTSA-N 1 1 364.833 3.196 20 5 FGBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])s3)C[C@H]2[C@H]1c1ccccc1 ZINC000377823196 499738936 /nfs/dbraw/zinc/73/89/36/499738936.db2.gz HLJLPSAWDDWMKQ-CKEIUWERSA-N 1 1 357.435 3.031 20 5 FGBDMO CCOC(=O)c1[nH]c(C)c(C(=O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1C ZINC000411769315 499788767 /nfs/dbraw/zinc/78/87/67/499788767.db2.gz KDUTYWRWUPZUOU-LBPRGKRZSA-N 1 1 373.409 3.250 20 5 FGBDMO COc1cc(C[NH2+][C@H](CN)C2CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414793036 499831972 /nfs/dbraw/zinc/83/19/72/499831972.db2.gz CYHWSKJHRIXAOK-GOSISDBHSA-N 1 1 371.437 3.009 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3C[C@H]3C3CC[NH2+]CC3)cs2)c1 ZINC000415012042 499854973 /nfs/dbraw/zinc/85/49/73/499854973.db2.gz RXJCUWPAAUFPSY-DLBZAZTESA-N 1 1 358.467 3.196 20 5 FGBDMO COc1cc(CN2CC[N@H+](C3CCC3)C[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000429360666 500059497 /nfs/dbraw/zinc/05/94/97/500059497.db2.gz BGZDYIAFXGRQHY-ZDUSSCGKSA-N 1 1 351.422 3.049 20 5 FGBDMO C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC[N@H+](C2CCC2)C1 ZINC000413823808 500067245 /nfs/dbraw/zinc/06/72/45/500067245.db2.gz BBLBOZQZXQUUOH-MDASCCDHSA-N 1 1 357.454 3.031 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@H](c4nnc[nH]4)C3)s2)cc1 ZINC000425360952 500084639 /nfs/dbraw/zinc/08/46/39/500084639.db2.gz WQOREXIGFPOBSZ-CYBMUJFWSA-N 1 1 355.423 3.431 20 5 FGBDMO C[C@@H]1CC[C@H]([N@@H+](CCO)Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425440743 500106612 /nfs/dbraw/zinc/10/66/12/500106612.db2.gz HDTPUZSIAVETMD-RISCZKNCSA-N 1 1 357.248 3.340 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H](c3ncc[nH]3)c3cccnc3)c2c1 ZINC000570479498 506176799 /nfs/dbraw/zinc/17/67/99/506176799.db2.gz ACYWENMLCNEFJQ-SFHVURJKSA-N 1 1 362.393 3.116 20 5 FGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCCN1C(=O)c2ccccc2C1=O ZINC000425547086 500141168 /nfs/dbraw/zinc/14/11/68/500141168.db2.gz SQSNXAJOOKJJBB-CQSZACIVSA-N 1 1 367.405 3.274 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000430206758 500209094 /nfs/dbraw/zinc/20/90/94/500209094.db2.gz PFQIAICOIKZEDM-LJQANCHMSA-N 1 1 356.422 3.377 20 5 FGBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000426793531 500321442 /nfs/dbraw/zinc/32/14/42/500321442.db2.gz QRIPADYNEQYUIE-AWEZNQCLSA-N 1 1 356.426 3.115 20 5 FGBDMO O=C(CC[N@H+]1CCC[C@@H](Oc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000419309044 500351969 /nfs/dbraw/zinc/35/19/69/500351969.db2.gz FZUJZKUHPDALEI-QGZVFWFLSA-N 1 1 369.421 3.467 20 5 FGBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000431861138 500435562 /nfs/dbraw/zinc/43/55/62/500435562.db2.gz SRNLWKKXQTUYAQ-UHFFFAOYSA-N 1 1 371.437 3.050 20 5 FGBDMO C[C@@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](C)C1 ZINC000431870510 500436970 /nfs/dbraw/zinc/43/69/70/500436970.db2.gz IUONNSJQNBZRAT-GJZGRUSLSA-N 1 1 362.474 3.250 20 5 FGBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000431896880 500440300 /nfs/dbraw/zinc/44/03/00/500440300.db2.gz UXUGLIPYDZMLPP-UHFFFAOYSA-N 1 1 353.422 3.002 20 5 FGBDMO CC[N@@H+](CCC1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1)CC1CC1 ZINC000420609272 500477394 /nfs/dbraw/zinc/47/73/94/500477394.db2.gz JZJDSNUPCLDVHX-UHFFFAOYSA-N 1 1 374.485 3.032 20 5 FGBDMO CCCn1cc[nH+]c1CCCN(C)c1ncnc2cccc([N+](=O)[O-])c21 ZINC000428664658 500540032 /nfs/dbraw/zinc/54/00/32/500540032.db2.gz MUPAVACWGPOYOW-UHFFFAOYSA-N 1 1 354.414 3.214 20 5 FGBDMO CC1(C)[C@H](c2ccccc2)CC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000421010861 500553209 /nfs/dbraw/zinc/55/32/09/500553209.db2.gz CQLYUDBHPNYHDX-KRWDZBQOSA-N 1 1 353.422 3.462 20 5 FGBDMO CC(C)[N@@H+](C)CCNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000447666391 500641488 /nfs/dbraw/zinc/64/14/88/500641488.db2.gz AUFITJYOEGXYPT-UHFFFAOYSA-N 1 1 356.295 3.396 20 5 FGBDMO C[N@@H+](CCNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])C1CC1 ZINC000447677864 500643736 /nfs/dbraw/zinc/64/37/36/500643736.db2.gz WWRRSLVMTCRERP-UHFFFAOYSA-N 1 1 354.279 3.150 20 5 FGBDMO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000447682330 500645380 /nfs/dbraw/zinc/64/53/80/500645380.db2.gz XPWKLMHXNDZDNE-MRVPVSSYSA-N 1 1 366.290 3.293 20 5 FGBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000448258953 500741492 /nfs/dbraw/zinc/74/14/92/500741492.db2.gz ZWAKZXBYJUNLQP-SFHVURJKSA-N 1 1 374.485 3.389 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000448287631 500743721 /nfs/dbraw/zinc/74/37/21/500743721.db2.gz NJTPDTRUUWOPIT-INIZCTEOSA-N 1 1 361.486 3.357 20 5 FGBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000448822188 500843972 /nfs/dbraw/zinc/84/39/72/500843972.db2.gz JOTSCBVODRJNOB-LLVKDONJSA-N 1 1 359.348 3.075 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOc2c(F)cccc2C1 ZINC000434612741 500865840 /nfs/dbraw/zinc/86/58/40/500865840.db2.gz VZBWBKRCWPYSLN-UHFFFAOYSA-N 1 1 373.384 3.266 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCOc2c(F)cccc2C1 ZINC000434612741 500865841 /nfs/dbraw/zinc/86/58/41/500865841.db2.gz VZBWBKRCWPYSLN-UHFFFAOYSA-N 1 1 373.384 3.266 20 5 FGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000444616983 500867741 /nfs/dbraw/zinc/86/77/41/500867741.db2.gz KNXTTZBCQIMYNG-CQSZACIVSA-N 1 1 365.499 3.314 20 5 FGBDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000439190432 500867817 /nfs/dbraw/zinc/86/78/17/500867817.db2.gz LBNIJLSCOZKONB-KRWDZBQOSA-N 1 1 362.474 3.247 20 5 FGBDMO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc([S@@](C)=O)cc1 ZINC000444688690 500879415 /nfs/dbraw/zinc/87/94/15/500879415.db2.gz KEEOPPLXVICHMT-JPQMIFPKSA-N 1 1 358.423 3.059 20 5 FGBDMO C[C@@H]1CN(CC[N@@H+](C)Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H](C)O1 ZINC000435039286 500925556 /nfs/dbraw/zinc/92/55/56/500925556.db2.gz DGMCQOBJAROOCL-IYBDPMFKSA-N 1 1 373.453 3.396 20 5 FGBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000439702445 500928886 /nfs/dbraw/zinc/92/88/86/500928886.db2.gz NXBSTTTWPCESOD-CQSZACIVSA-N 1 1 353.850 3.489 20 5 FGBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000439896676 500952099 /nfs/dbraw/zinc/95/20/99/500952099.db2.gz HBXXKBJXYMLYKA-AWEZNQCLSA-N 1 1 364.446 3.189 20 5 FGBDMO C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@H+](C2CC2)C1 ZINC000449345079 500983006 /nfs/dbraw/zinc/98/30/06/500983006.db2.gz GOCHWBNVGJHZKU-LBPRGKRZSA-N 1 1 355.385 3.112 20 5 FGBDMO COc1cccc(C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000435499294 500985932 /nfs/dbraw/zinc/98/59/32/500985932.db2.gz FFFDTKPVPGKLOO-ZBFHGGJFSA-N 1 1 369.421 3.169 20 5 FGBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436071654 501066075 /nfs/dbraw/zinc/06/60/75/501066075.db2.gz DSQHAMIHUNLRNA-CQSZACIVSA-N 1 1 374.444 3.252 20 5 FGBDMO COC[C@@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000449781405 501085192 /nfs/dbraw/zinc/08/51/92/501085192.db2.gz XBQHGSVZJGREMD-OAHLLOKOSA-N 1 1 358.442 3.244 20 5 FGBDMO C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441279468 501113552 /nfs/dbraw/zinc/11/35/52/501113552.db2.gz ARJSTQINIOVAAU-GXFFZTMASA-N 1 1 373.240 3.152 20 5 FGBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000449996718 501149020 /nfs/dbraw/zinc/14/90/20/501149020.db2.gz QNJIRLBDWDFSNS-LLVKDONJSA-N 1 1 359.348 3.027 20 5 FGBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000450546494 501150500 /nfs/dbraw/zinc/15/05/00/501150500.db2.gz IIGPDLZFOITNAQ-ZDUSSCGKSA-N 1 1 356.426 3.072 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)cccc1[N+](=O)[O-] ZINC000451358529 501274396 /nfs/dbraw/zinc/27/43/96/501274396.db2.gz BUUWMYLMQBTJDJ-ASKKUZCQSA-N 1 1 355.438 3.376 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@@H]3[C@H]3CCC[C@H]3O)o2)c1 ZINC000451414804 501287704 /nfs/dbraw/zinc/28/77/04/501287704.db2.gz DTCKYKBTMGKKRW-KZNAEPCWSA-N 1 1 371.437 3.418 20 5 FGBDMO CC(C)O[C@H]1C[C@H]([NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1(C)C ZINC000451488660 501304787 /nfs/dbraw/zinc/30/47/87/501304787.db2.gz BIHHTYXZCOAXNE-GJZGRUSLSA-N 1 1 360.414 3.327 20 5 FGBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3nnc4n3CCCCC4)C2)cc1 ZINC000451544047 501318065 /nfs/dbraw/zinc/31/80/65/501318065.db2.gz DETHFBIWLPMLFZ-INIZCTEOSA-N 1 1 355.442 3.292 20 5 FGBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3nnc4n3CCCCC4)C2)cc1 ZINC000451544047 501318066 /nfs/dbraw/zinc/31/80/66/501318066.db2.gz DETHFBIWLPMLFZ-INIZCTEOSA-N 1 1 355.442 3.292 20 5 FGBDMO O=c1cc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)nc2sccn21 ZINC000451545435 501319086 /nfs/dbraw/zinc/31/90/86/501319086.db2.gz HILMOXWDJLEJDX-CQSZACIVSA-N 1 1 370.434 3.044 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]CCC1CC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000453420049 501327943 /nfs/dbraw/zinc/32/79/43/501327943.db2.gz LJAIWVUYDBMKPV-OAHLLOKOSA-N 1 1 350.369 3.443 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@@H]4C[C@@H](O)CC[C@H]4C3)o2)c1 ZINC000451691321 501351398 /nfs/dbraw/zinc/35/13/98/501351398.db2.gz BWCHPZOVONCEDO-HFTRVMKXSA-N 1 1 371.437 3.275 20 5 FGBDMO CO[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC000451857687 501386613 /nfs/dbraw/zinc/38/66/13/501386613.db2.gz UXWHRIBYJRLIEP-CABCVRRESA-N 1 1 367.833 3.076 20 5 FGBDMO CO[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC000451857687 501386615 /nfs/dbraw/zinc/38/66/15/501386615.db2.gz UXWHRIBYJRLIEP-CABCVRRESA-N 1 1 367.833 3.076 20 5 FGBDMO CC(C)OCCOC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000451953418 501407215 /nfs/dbraw/zinc/40/72/15/501407215.db2.gz STCDPVUMSHDUGI-UHFFFAOYSA-N 1 1 363.414 3.142 20 5 FGBDMO COC(=O)[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000452002416 501416959 /nfs/dbraw/zinc/41/69/59/501416959.db2.gz HMKMTCFHHJIJJU-RBUKOAKNSA-N 1 1 354.406 3.026 20 5 FGBDMO COC[C@H]1CCC[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000452110725 501437240 /nfs/dbraw/zinc/43/72/40/501437240.db2.gz ZNJCNXDFTXQVDZ-KBPBESRZSA-N 1 1 360.414 3.454 20 5 FGBDMO C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC[N@H+](C2CC2)C1 ZINC000452170907 501451439 /nfs/dbraw/zinc/45/14/39/501451439.db2.gz NHUIFPNAORWHTB-LBPRGKRZSA-N 1 1 359.451 3.366 20 5 FGBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+](Cc2ccccc2)C1 ZINC000456324334 501498387 /nfs/dbraw/zinc/49/83/87/501498387.db2.gz FIUDZSQGARUSKL-HNNXBMFYSA-N 1 1 371.412 3.328 20 5 FGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000456979174 501629240 /nfs/dbraw/zinc/62/92/40/501629240.db2.gz BGLXABMCHOZROG-RDTXWAMCSA-N 1 1 371.462 3.249 20 5 FGBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000457099618 501650577 /nfs/dbraw/zinc/65/05/77/501650577.db2.gz VNTAYRXTMZJRGJ-CYBMUJFWSA-N 1 1 371.890 3.281 20 5 FGBDMO C[N@@H+](CCCCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000457161763 501660356 /nfs/dbraw/zinc/66/03/56/501660356.db2.gz DUOJZJYHAHCROJ-UHFFFAOYSA-N 1 1 351.422 3.002 20 5 FGBDMO C[N@@H+](CCCCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000457177084 501662267 /nfs/dbraw/zinc/66/22/67/501662267.db2.gz BSYJBBPKXFHFPE-UHFFFAOYSA-N 1 1 359.348 3.218 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000459570332 501678382 /nfs/dbraw/zinc/67/83/82/501678382.db2.gz ZHXCFEZKSARYMQ-SFHVURJKSA-N 1 1 350.415 3.157 20 5 FGBDMO CCOC[C@H]1CCCC[N@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000459679111 501697951 /nfs/dbraw/zinc/69/79/51/501697951.db2.gz SDQFWRFWIRZYPG-GOSISDBHSA-N 1 1 358.442 3.386 20 5 FGBDMO CN(C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000459904478 501721702 /nfs/dbraw/zinc/72/17/02/501721702.db2.gz RBPANSSHDXHNIK-ZIAGYGMSSA-N 1 1 373.375 3.466 20 5 FGBDMO COCC[C@H]1CCCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000467265871 501752105 /nfs/dbraw/zinc/75/21/05/501752105.db2.gz ZJIUDFIPRYZSKI-MRXNPFEDSA-N 1 1 363.458 3.370 20 5 FGBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1ncc([N+](=O)[O-])cc1Br ZINC000485195153 501752667 /nfs/dbraw/zinc/75/26/67/501752667.db2.gz PLZBGMOMXOXSDL-PHIMTYICSA-N 1 1 357.252 3.427 20 5 FGBDMO Cc1cc[nH+]c(N2CCN(C(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)c1 ZINC000474229233 501752559 /nfs/dbraw/zinc/75/25/59/501752559.db2.gz HTKUNSJTMUKAIF-UHFFFAOYSA-N 1 1 368.437 3.384 20 5 FGBDMO CC1=CC[N@@H+](CCNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)CC1 ZINC000460226825 501765792 /nfs/dbraw/zinc/76/57/92/501765792.db2.gz KPJZWCRGTUIBFW-UHFFFAOYSA-N 1 1 360.458 3.167 20 5 FGBDMO CCOC(=O)c1coc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000474265938 501767068 /nfs/dbraw/zinc/76/70/68/501767068.db2.gz JFKHPADUURIDNK-UHFFFAOYSA-N 1 1 374.393 3.408 20 5 FGBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474293196 501778736 /nfs/dbraw/zinc/77/87/36/501778736.db2.gz PKPSFOFWOJXEPP-IBGZPJMESA-N 1 1 371.412 3.405 20 5 FGBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000474293196 501778740 /nfs/dbraw/zinc/77/87/40/501778740.db2.gz PKPSFOFWOJXEPP-IBGZPJMESA-N 1 1 371.412 3.405 20 5 FGBDMO CC(C)[N@H+]1CC[C@@H](Nc2c([N+](=O)[O-])ncn2C)[C@H]1c1ccc(F)c(F)c1 ZINC000485304697 501783236 /nfs/dbraw/zinc/78/32/36/501783236.db2.gz RCAJMSSWJXDVKG-HUUCEWRRSA-N 1 1 365.384 3.242 20 5 FGBDMO CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460313196 501789869 /nfs/dbraw/zinc/78/98/69/501789869.db2.gz FZZHWIQDYMEEOX-PBHICJAKSA-N 1 1 372.473 3.040 20 5 FGBDMO COC(=O)COc1ccc(C[NH2+]C2(c3ccccc3F)CC2)cc1[N+](=O)[O-] ZINC000474356631 501804136 /nfs/dbraw/zinc/80/41/36/501804136.db2.gz RDYCKCZLOAMPIR-UHFFFAOYSA-N 1 1 374.368 3.065 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)[C@@H](C)C1 ZINC000596137910 506275323 /nfs/dbraw/zinc/27/53/23/506275323.db2.gz XYNPHNGHBZWAIA-RYUDHWBXSA-N 1 1 369.849 3.201 20 5 FGBDMO CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000467546684 501821323 /nfs/dbraw/zinc/82/13/23/501821323.db2.gz BRUJKBMAYNPSTG-KRWDZBQOSA-N 1 1 370.833 3.040 20 5 FGBDMO CCOC(=O)[C@@]1(COC)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000467546684 501821327 /nfs/dbraw/zinc/82/13/27/501821327.db2.gz BRUJKBMAYNPSTG-KRWDZBQOSA-N 1 1 370.833 3.040 20 5 FGBDMO COc1cc(N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596146460 506278993 /nfs/dbraw/zinc/27/89/93/506278993.db2.gz BTNOUVUREFFAJM-ZDUSSCGKSA-N 1 1 353.850 3.425 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)ccc1[N+](=O)[O-] ZINC000485568519 501863661 /nfs/dbraw/zinc/86/36/61/501863661.db2.gz KBOLXQGIYGFMNH-HNNXBMFYSA-N 1 1 367.409 3.026 20 5 FGBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000470945651 501865070 /nfs/dbraw/zinc/86/50/70/501865070.db2.gz NKFWZRTXOMUNRO-OAHLLOKOSA-N 1 1 371.437 3.244 20 5 FGBDMO C[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@H]1c1cccs1 ZINC000596145963 506278712 /nfs/dbraw/zinc/27/87/12/506278712.db2.gz JGBXCWFOQGNNHU-PXAZEXFGSA-N 1 1 374.466 3.250 20 5 FGBDMO C[N@@H+](CCCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000485628270 501881439 /nfs/dbraw/zinc/88/14/39/501881439.db2.gz NQEWOIHECDUPGB-UHFFFAOYSA-N 1 1 369.412 3.186 20 5 FGBDMO C[N@H+]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](c2ccccc2)C1 ZINC000481791633 501885041 /nfs/dbraw/zinc/88/50/41/501885041.db2.gz FWURHZGGIXVLNM-AEFFLSMTSA-N 1 1 373.840 3.005 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]C1(c2nccs2)CCCC1 ZINC000471040243 501900107 /nfs/dbraw/zinc/90/01/07/501900107.db2.gz SGXFRVOVARRELA-UHFFFAOYSA-N 1 1 360.439 3.357 20 5 FGBDMO CSc1ccc(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)cc1[N+](=O)[O-] ZINC000464341623 501959853 /nfs/dbraw/zinc/95/98/53/501959853.db2.gz XZTUQSVYHYGNTJ-HNNXBMFYSA-N 1 1 363.483 3.311 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@H](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000475085143 502050760 /nfs/dbraw/zinc/05/07/60/502050760.db2.gz DZIAAHUGUJIIKL-CYBMUJFWSA-N 1 1 350.415 3.015 20 5 FGBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000486116480 502051037 /nfs/dbraw/zinc/05/10/37/502051037.db2.gz NAVUNBWBXKZPIZ-CYBMUJFWSA-N 1 1 369.412 3.186 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2C[C@H](C)[C@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000475089671 502052760 /nfs/dbraw/zinc/05/27/60/502052760.db2.gz OEVNWUCUGKMXET-IMJJTQAJSA-N 1 1 362.426 3.157 20 5 FGBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475198924 502097206 /nfs/dbraw/zinc/09/72/06/502097206.db2.gz RRAJJUWNQPGMPY-NXEZZACHSA-N 1 1 360.336 3.170 20 5 FGBDMO CN(CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464834091 502112268 /nfs/dbraw/zinc/11/22/68/502112268.db2.gz FWPPPTPRRLPJRS-IBGZPJMESA-N 1 1 369.465 3.428 20 5 FGBDMO C[C@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000464893579 502138563 /nfs/dbraw/zinc/13/85/63/502138563.db2.gz LSMQSXRVEPGSFO-HNNXBMFYSA-N 1 1 371.412 3.471 20 5 FGBDMO COc1cc(C[N@H+]2C[C@H](O)C[C@@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000471804555 502141294 /nfs/dbraw/zinc/14/12/94/502141294.db2.gz MSDSGCHAWFCSDV-KBXCAEBGSA-N 1 1 372.421 3.138 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@@H]3Cc3ccccc3)n2)c1 ZINC000479129428 502172411 /nfs/dbraw/zinc/17/24/11/502172411.db2.gz PWXMJJXPEHTYSE-MRXNPFEDSA-N 1 1 350.378 3.462 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@@H]3Cc3ccccc3)n2)c1 ZINC000479129428 502172414 /nfs/dbraw/zinc/17/24/14/502172414.db2.gz PWXMJJXPEHTYSE-MRXNPFEDSA-N 1 1 350.378 3.462 20 5 FGBDMO Cc1cc(NCc2ccc(C[NH+]3CCOCC3)cc2)c(F)cc1[N+](=O)[O-] ZINC000461717278 502176813 /nfs/dbraw/zinc/17/68/13/502176813.db2.gz IJTCFPPKSNLXGU-UHFFFAOYSA-N 1 1 359.401 3.487 20 5 FGBDMO CC(C)C[N@H+]1CC[C@H](CNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])C1 ZINC000465054933 502182755 /nfs/dbraw/zinc/18/27/55/502182755.db2.gz ACZZXLXCPNLGFM-OAHLLOKOSA-N 1 1 362.474 3.123 20 5 FGBDMO C[N@H+]1CC[C@H]2CCN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000486602553 502204802 /nfs/dbraw/zinc/20/48/02/502204802.db2.gz YSKXKLVXXIOUEL-MGPUTAFESA-N 1 1 365.433 3.356 20 5 FGBDMO C[NH+](C)[C@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000482882606 502206411 /nfs/dbraw/zinc/20/64/11/502206411.db2.gz RFNDAXAGUMQENS-KRWDZBQOSA-N 1 1 361.829 3.210 20 5 FGBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000461801034 502207702 /nfs/dbraw/zinc/20/77/02/502207702.db2.gz KOQLUDVPVKZIKO-HNNXBMFYSA-N 1 1 362.474 3.389 20 5 FGBDMO Cc1cc(NCCN2CC[N@H+](C)C(C)(C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461946746 502247507 /nfs/dbraw/zinc/24/75/07/502247507.db2.gz HQXUWXKLBKSSKT-UHFFFAOYSA-N 1 1 374.407 3.360 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2C[C@@H](C)CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000475712434 502261031 /nfs/dbraw/zinc/26/10/31/502261031.db2.gz ZNWWAIATJUYWOQ-UONOGXRCSA-N 1 1 350.415 3.157 20 5 FGBDMO C[C@@H]1C[N@H+](CCCCNc2ccc3cnccc3c2[N+](=O)[O-])C[C@H](C)O1 ZINC000599062422 506302990 /nfs/dbraw/zinc/30/29/90/506302990.db2.gz PUNDMJZPFNTMKQ-GASCZTMLSA-N 1 1 358.442 3.444 20 5 FGBDMO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000472359708 502329369 /nfs/dbraw/zinc/32/93/69/502329369.db2.gz MNNWMSHPYZHEPH-SJORKVTESA-N 1 1 363.458 3.085 20 5 FGBDMO CC(C)(C)[C@H]1CCC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000483259167 502331848 /nfs/dbraw/zinc/33/18/48/502331848.db2.gz WJJWAEULQNMSBE-AWEZNQCLSA-N 1 1 354.472 3.127 20 5 FGBDMO CC(C)(C)[C@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000483259167 502331851 /nfs/dbraw/zinc/33/18/51/502331851.db2.gz WJJWAEULQNMSBE-AWEZNQCLSA-N 1 1 354.472 3.127 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1Cc2ccc(C)cc2C1 ZINC000483310477 502346699 /nfs/dbraw/zinc/34/66/99/502346699.db2.gz SIJWINKOVGGCDZ-UHFFFAOYSA-N 1 1 355.394 3.256 20 5 FGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](CCc1ccccc1)Cc1cccnc1 ZINC000602821486 506313613 /nfs/dbraw/zinc/31/36/13/506313613.db2.gz OTRWPYBTKCMMPC-UHFFFAOYSA-N 1 1 365.437 3.240 20 5 FGBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000476140521 502396472 /nfs/dbraw/zinc/39/64/72/502396472.db2.gz GPVHGGIBNCFQGF-CQSZACIVSA-N 1 1 358.442 3.316 20 5 FGBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000462695561 502536874 /nfs/dbraw/zinc/53/68/74/502536874.db2.gz HQNDECZABPXGPI-HUUCEWRRSA-N 1 1 356.426 3.098 20 5 FGBDMO O=[N+]([O-])c1cc(C[NH2+]Cc2cc(Cl)ccc2N2CCOCC2)cs1 ZINC000466360450 502546935 /nfs/dbraw/zinc/54/69/35/502546935.db2.gz DSCNRULQXOCHHU-UHFFFAOYSA-N 1 1 367.858 3.436 20 5 FGBDMO C[C@@H](NC(=O)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000488006505 502597307 /nfs/dbraw/zinc/59/73/07/502597307.db2.gz GGUQAXCNXASSSD-OIPACUDHSA-N 1 1 360.458 3.028 20 5 FGBDMO Cn1cc[nH+]c1CC1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000488045091 502610160 /nfs/dbraw/zinc/61/01/60/502610160.db2.gz CJKGTZIQJYLZPY-UHFFFAOYSA-N 1 1 351.410 3.336 20 5 FGBDMO CCOCCC[N@H+]1CC[C@@H](Nc2nc3ccccc3cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000473519038 502620230 /nfs/dbraw/zinc/62/02/30/502620230.db2.gz GFGOOHFZRQGDHO-DOTOQJQBSA-N 1 1 372.469 3.114 20 5 FGBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000462986494 502650442 /nfs/dbraw/zinc/65/04/42/502650442.db2.gz GQPBIUCCACWUBM-ROUUACIJSA-N 1 1 361.486 3.496 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[N@H+](CCO)Cc1cccc(Br)c1 ZINC000488188181 502651518 /nfs/dbraw/zinc/65/15/18/502651518.db2.gz OQAUWWRZLPKFDA-UHFFFAOYSA-N 1 1 365.227 3.352 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[N@@H+](CCO)Cc1cccc(Br)c1 ZINC000488188181 502651526 /nfs/dbraw/zinc/65/15/26/502651526.db2.gz OQAUWWRZLPKFDA-UHFFFAOYSA-N 1 1 365.227 3.352 20 5 FGBDMO O=C(NCCC[N@H+]1CCc2ccccc2C1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470114491 502665110 /nfs/dbraw/zinc/66/51/10/502665110.db2.gz LFUWVEDBHSJVDE-UHFFFAOYSA-N 1 1 372.400 3.304 20 5 FGBDMO CCC1CCC([N@@H+](CCO)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000488239288 502666452 /nfs/dbraw/zinc/66/64/52/502666452.db2.gz WWGTVWSTNNTJBQ-UHFFFAOYSA-N 1 1 363.458 3.105 20 5 FGBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc2sccn2c1[N+](=O)[O-] ZINC000463068798 502681740 /nfs/dbraw/zinc/68/17/40/502681740.db2.gz MMOZYQZNXYIIJA-HNNXBMFYSA-N 1 1 371.466 3.262 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000488479941 502727179 /nfs/dbraw/zinc/72/71/79/502727179.db2.gz NUZFAMYNRIRFBP-AUUYWEPGSA-N 1 1 371.412 3.374 20 5 FGBDMO Cc1cc(C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000467047573 502770274 /nfs/dbraw/zinc/77/02/74/502770274.db2.gz RTWHHNKFJKNVBP-QAPCUYQASA-N 1 1 353.422 3.296 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](CO)[C@@H]2C)cc1OC ZINC000488750393 502802054 /nfs/dbraw/zinc/80/20/54/502802054.db2.gz UDOROZLIKJYNRJ-KKUMJFAQSA-N 1 1 366.458 3.231 20 5 FGBDMO COCC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@@H]1CC=CCC1 ZINC000485103945 502815531 /nfs/dbraw/zinc/81/55/31/502815531.db2.gz FSQPHZRKPGTWBR-OAHLLOKOSA-N 1 1 372.425 3.450 20 5 FGBDMO CCn1cc(C[NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)cn1 ZINC000513021293 502832355 /nfs/dbraw/zinc/83/23/55/502832355.db2.gz ARONNGYTDQWURK-UHFFFAOYSA-N 1 1 356.382 3.370 20 5 FGBDMO C[NH+](C)Cc1cc(NC(=O)COc2cccc([N+](=O)[O-])c2)ccc1Cl ZINC000500788561 502864550 /nfs/dbraw/zinc/86/45/50/502864550.db2.gz SMXDVDRAJRIPSC-UHFFFAOYSA-N 1 1 363.801 3.327 20 5 FGBDMO COc1ccc(C[N@@H+]2CC[C@@H]2CNc2ccc([N+](=O)[O-])c(C(C)=O)c2)cc1 ZINC000599138366 506339131 /nfs/dbraw/zinc/33/91/31/506339131.db2.gz ALOYKYLNQNGSQF-QGZVFWFLSA-N 1 1 369.421 3.492 20 5 FGBDMO COc1ccc(C[N@H+]2CC[C@@H]2CNc2ccc([N+](=O)[O-])c(C(C)=O)c2)cc1 ZINC000599138366 506339136 /nfs/dbraw/zinc/33/91/36/506339136.db2.gz ALOYKYLNQNGSQF-QGZVFWFLSA-N 1 1 369.421 3.492 20 5 FGBDMO C[C@@H]1C[C@@H](c2ccccc2)[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000513228595 502884301 /nfs/dbraw/zinc/88/43/01/502884301.db2.gz LNJVJWPXZKUPQG-BPAFIMBUSA-N 1 1 356.422 3.418 20 5 FGBDMO C[C@@H]1C[C@@H](c2ccccc2)[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000513230839 502884682 /nfs/dbraw/zinc/88/46/82/502884682.db2.gz FDKJMFFOEMQLDY-BEFAXECRSA-N 1 1 374.462 3.452 20 5 FGBDMO C[C@@H]1C[C@@H](c2ccccc2)[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000513230839 502884687 /nfs/dbraw/zinc/88/46/87/502884687.db2.gz FDKJMFFOEMQLDY-BEFAXECRSA-N 1 1 374.462 3.452 20 5 FGBDMO Cc1ccc(Sc2ccc(C(=O)NCC[NH+]3CCC3)cc2[N+](=O)[O-])cc1 ZINC000505411966 502900029 /nfs/dbraw/zinc/90/00/29/502900029.db2.gz UEYXIQMLOQABPY-UHFFFAOYSA-N 1 1 371.462 3.490 20 5 FGBDMO COc1ccc(C[N@@H+]2CCCN(c3ccccc3F)CC2)cc1[N+](=O)[O-] ZINC000513391801 502923356 /nfs/dbraw/zinc/92/33/56/502923356.db2.gz GHKOCEFZAIPKCU-UHFFFAOYSA-N 1 1 359.401 3.455 20 5 FGBDMO COc1ccc(C[N@H+]2CCCN(c3ccccc3F)CC2)cc1[N+](=O)[O-] ZINC000513391801 502923359 /nfs/dbraw/zinc/92/33/59/502923359.db2.gz GHKOCEFZAIPKCU-UHFFFAOYSA-N 1 1 359.401 3.455 20 5 FGBDMO Cc1cn2c([nH+]1)C[C@@H](c1nc(Cc3ccc([N+](=O)[O-])c(C)c3)no1)CC2 ZINC000599142597 506343056 /nfs/dbraw/zinc/34/30/56/506343056.db2.gz XUBYAKXZAVDJTC-AWEZNQCLSA-N 1 1 353.382 3.112 20 5 FGBDMO C[N@H+]1C[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@@H](c2ccccc2)C1 ZINC000497411347 502952690 /nfs/dbraw/zinc/95/26/90/502952690.db2.gz OMRHNUWFIAAZJO-IAGOWNOFSA-N 1 1 365.389 3.169 20 5 FGBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000599145961 506344734 /nfs/dbraw/zinc/34/47/34/506344734.db2.gz AYNRMQOSFOFHGT-IBGZPJMESA-N 1 1 374.485 3.186 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCCCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000497542755 502983835 /nfs/dbraw/zinc/98/38/35/502983835.db2.gz HUCAMPPTZZQNGB-AWEZNQCLSA-N 1 1 369.487 3.065 20 5 FGBDMO CCCC[N@H+]1CCCC[C@@H]1CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000497558251 502987378 /nfs/dbraw/zinc/98/73/78/502987378.db2.gz MJTNDOSVBBIIQO-CQSZACIVSA-N 1 1 369.487 3.065 20 5 FGBDMO CC(C)(C)C1=CC[N@@H+](CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000505986683 503025013 /nfs/dbraw/zinc/02/50/13/503025013.db2.gz JBPGGDPNCHTPOS-UHFFFAOYSA-N 1 1 370.453 3.484 20 5 FGBDMO Cc1ccc(C)c(OC[C@H](O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1C ZINC000501808298 503084842 /nfs/dbraw/zinc/08/48/42/503084842.db2.gz YGBJVTXAGQNUAJ-GOSISDBHSA-N 1 1 358.438 3.392 20 5 FGBDMO Cc1ccc(C)c(OC[C@H](O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1C ZINC000501808298 503084843 /nfs/dbraw/zinc/08/48/43/503084843.db2.gz YGBJVTXAGQNUAJ-GOSISDBHSA-N 1 1 358.438 3.392 20 5 FGBDMO CCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000501947297 503113995 /nfs/dbraw/zinc/11/39/95/503113995.db2.gz NBGOWWYHDJFIRM-GDBMZVCRSA-N 1 1 356.426 3.221 20 5 FGBDMO C[C@@]1(CNC(=O)c2cccc([N+](=O)[O-])c2)CCC[N@H+]1Cc1ccccc1 ZINC000490528861 503190101 /nfs/dbraw/zinc/19/01/01/503190101.db2.gz UBMAULHENWBBJF-FQEVSTJZSA-N 1 1 353.422 3.379 20 5 FGBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000507019733 503213885 /nfs/dbraw/zinc/21/38/85/503213885.db2.gz ADTPOJYJNCXODF-MJBXVCDLSA-N 1 1 360.458 3.258 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@@H]3CCCC[C@H]3OC(F)F)n2)cc1 ZINC000502532648 503219586 /nfs/dbraw/zinc/21/95/86/503219586.db2.gz WBWVBMIZLZMEHQ-CHWSQXEVSA-N 1 1 368.340 3.285 20 5 FGBDMO Cc1ccccc1[C@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000507179707 503244674 /nfs/dbraw/zinc/24/46/74/503244674.db2.gz HQDLMDCWHLMSMG-INIZCTEOSA-N 1 1 353.422 3.356 20 5 FGBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](c3ccccc3C)C2)c([N+](=O)[O-])c1 ZINC000507203449 503249167 /nfs/dbraw/zinc/24/91/67/503249167.db2.gz JDUUPYYPOJRDHK-HNNXBMFYSA-N 1 1 369.421 3.340 20 5 FGBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@H](c3ccccc3C)C2)c([N+](=O)[O-])c1 ZINC000507203449 503249171 /nfs/dbraw/zinc/24/91/71/503249171.db2.gz JDUUPYYPOJRDHK-HNNXBMFYSA-N 1 1 369.421 3.340 20 5 FGBDMO C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511082970 503250029 /nfs/dbraw/zinc/25/00/29/503250029.db2.gz WCSKWBNGWHJQIH-GFCCVEGCSA-N 1 1 363.364 3.375 20 5 FGBDMO C[C@H](C(=O)Nc1c(F)cccc1F)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511082970 503250034 /nfs/dbraw/zinc/25/00/34/503250034.db2.gz WCSKWBNGWHJQIH-GFCCVEGCSA-N 1 1 363.364 3.375 20 5 FGBDMO CCOc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000511090680 503251710 /nfs/dbraw/zinc/25/17/10/503251710.db2.gz JTIANCKTPCVELU-OAHLLOKOSA-N 1 1 371.437 3.495 20 5 FGBDMO CCOc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000511090680 503251711 /nfs/dbraw/zinc/25/17/11/503251711.db2.gz JTIANCKTPCVELU-OAHLLOKOSA-N 1 1 371.437 3.495 20 5 FGBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000511096430 503252626 /nfs/dbraw/zinc/25/26/26/503252626.db2.gz ORTBQZHZZLOIGE-NRFANRHFSA-N 1 1 367.449 3.337 20 5 FGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000511096430 503252632 /nfs/dbraw/zinc/25/26/32/503252632.db2.gz ORTBQZHZZLOIGE-NRFANRHFSA-N 1 1 367.449 3.337 20 5 FGBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc2c(c1)oc(=O)n2C ZINC000507254290 503261295 /nfs/dbraw/zinc/26/12/95/503261295.db2.gz UZEPQDOJUOYKIR-UHFFFAOYSA-N 1 1 355.394 3.450 20 5 FGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)COc1ccccc1Cl ZINC000511135990 503266131 /nfs/dbraw/zinc/26/61/31/503266131.db2.gz IGVAIWDQPNEFLV-HNNXBMFYSA-N 1 1 364.829 3.162 20 5 FGBDMO COc1cc(N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000599179637 506362456 /nfs/dbraw/zinc/36/24/56/506362456.db2.gz OWFBYNPBRWHROM-UHFFFAOYSA-N 1 1 366.421 3.407 20 5 FGBDMO CC(C)([NH2+]Cc1cnnn1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000491296991 503294735 /nfs/dbraw/zinc/29/47/35/503294735.db2.gz NIKJNWHYSRPMBO-UHFFFAOYSA-N 1 1 351.410 3.260 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC4(CC3)C(F)(F)C4(F)F)nc2c1 ZINC000593055617 506363594 /nfs/dbraw/zinc/36/35/94/506363594.db2.gz XIECOZWLZFUEQG-UHFFFAOYSA-N 1 1 358.295 3.338 20 5 FGBDMO COc1ccc(C[N@H+]2CCCN(Cc3ccc([N+](=O)[O-])cc3F)CC2)cc1 ZINC000491823311 503331344 /nfs/dbraw/zinc/33/13/44/503331344.db2.gz YZPZYZZCFIXNGJ-UHFFFAOYSA-N 1 1 373.428 3.450 20 5 FGBDMO CCOc1cc(C[N@@H+]2CCCC[C@H]2[C@H](O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000492582192 503375627 /nfs/dbraw/zinc/37/56/27/503375627.db2.gz KGMFMRJIWSTSAF-ZFWWWQNUSA-N 1 1 362.348 3.271 20 5 FGBDMO CCOc1cc(C[N@H+]2CCCC[C@H]2[C@H](O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000492582192 503375630 /nfs/dbraw/zinc/37/56/30/503375630.db2.gz KGMFMRJIWSTSAF-ZFWWWQNUSA-N 1 1 362.348 3.271 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c1 ZINC000515744992 503394426 /nfs/dbraw/zinc/39/44/26/503394426.db2.gz WCJCOHFMLZFWHX-IEBWSBKVSA-N 1 1 374.412 3.181 20 5 FGBDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000499447914 503407282 /nfs/dbraw/zinc/40/72/82/503407282.db2.gz PAVNVWIEWVKJDX-JKSUJKDBSA-N 1 1 353.422 3.330 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000499447914 503407285 /nfs/dbraw/zinc/40/72/85/503407285.db2.gz PAVNVWIEWVKJDX-JKSUJKDBSA-N 1 1 353.422 3.330 20 5 FGBDMO C[N@H+](CCc1ccccc1O)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000515910573 503418704 /nfs/dbraw/zinc/41/87/04/503418704.db2.gz VSLCGWYGXGJNLR-UHFFFAOYSA-N 1 1 354.366 3.025 20 5 FGBDMO C[N@@H+](CCc1ccccc1O)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000515910573 503418709 /nfs/dbraw/zinc/41/87/09/503418709.db2.gz VSLCGWYGXGJNLR-UHFFFAOYSA-N 1 1 354.366 3.025 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000516103225 503446176 /nfs/dbraw/zinc/44/61/76/503446176.db2.gz COVJQNMDJOHVEJ-FUHWJXTLSA-N 1 1 373.497 3.496 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+](Cc2ccc(F)cc2)CC2CC2)c1 ZINC000503681592 503457828 /nfs/dbraw/zinc/45/78/28/503457828.db2.gz DIRIEMAOKRQALT-IBGZPJMESA-N 1 1 374.412 3.386 20 5 FGBDMO Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000493998128 503472537 /nfs/dbraw/zinc/47/25/37/503472537.db2.gz BYWPVHRBVBZWBH-MAUKXSAKSA-N 1 1 353.422 3.296 20 5 FGBDMO Cc1ccc(Sc2ccc(C[NH2+]CC(=O)NC3CC3)cc2[N+](=O)[O-])cc1 ZINC000504131587 503527877 /nfs/dbraw/zinc/52/78/77/503527877.db2.gz OKJGAWVWSWPBHK-UHFFFAOYSA-N 1 1 371.462 3.423 20 5 FGBDMO C[N@H+](CCc1cnccn1)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000508674827 503540950 /nfs/dbraw/zinc/54/09/50/503540950.db2.gz CTSNRZDXRSNPDP-UHFFFAOYSA-N 1 1 355.423 3.183 20 5 FGBDMO C[N@@H+](CCc1cnccn1)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000508674827 503540955 /nfs/dbraw/zinc/54/09/55/503540955.db2.gz CTSNRZDXRSNPDP-UHFFFAOYSA-N 1 1 355.423 3.183 20 5 FGBDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)CO1 ZINC000500099692 503554072 /nfs/dbraw/zinc/55/40/72/503554072.db2.gz QCUOFVYFOBNESS-DNVCBOLYSA-N 1 1 369.421 3.385 20 5 FGBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)CO1 ZINC000500099692 503554076 /nfs/dbraw/zinc/55/40/76/503554076.db2.gz QCUOFVYFOBNESS-DNVCBOLYSA-N 1 1 369.421 3.385 20 5 FGBDMO O=[N+]([O-])c1cc(F)c(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(F)c1 ZINC000508978858 503611816 /nfs/dbraw/zinc/61/18/16/503611816.db2.gz RHHFHAQWORDNPA-SGTLLEGYSA-N 1 1 351.397 3.322 20 5 FGBDMO CC(C)c1ccc(C[N@@H+](CC(C)(C)O)C2CCOCC2)cc1[N+](=O)[O-] ZINC000536679162 503676392 /nfs/dbraw/zinc/67/63/92/503676392.db2.gz UJOMZAQHDBXYKG-UHFFFAOYSA-N 1 1 350.459 3.470 20 5 FGBDMO Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000536679799 503676751 /nfs/dbraw/zinc/67/67/51/503676751.db2.gz OFRYZDRWOVEJQN-OAHLLOKOSA-N 1 1 372.473 3.245 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+](CCc1ccc(F)cc1)C1CC1 ZINC000543207016 503679742 /nfs/dbraw/zinc/67/97/42/503679742.db2.gz IFACELQCOANIPQ-GOSISDBHSA-N 1 1 374.412 3.181 20 5 FGBDMO CCc1ccc([C@@H]([NH2+]CCNC(=O)C(C)C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543422327 503763284 /nfs/dbraw/zinc/76/32/84/503763284.db2.gz FNLDMMBHTPTTIC-SFHVURJKSA-N 1 1 359.426 3.201 20 5 FGBDMO CCc1ccc([C@H]([NH2+]CCc2nc(C)no2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543424420 503763912 /nfs/dbraw/zinc/76/39/12/503763912.db2.gz SJPXVGWFFQABED-GOSISDBHSA-N 1 1 356.382 3.363 20 5 FGBDMO CCc1ccc([C@@H]([NH2+]C[C@@H](O)C2CCOCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543423931 503764180 /nfs/dbraw/zinc/76/41/80/503764180.db2.gz IQUPLRQVEPKIMK-QUCCMNQESA-N 1 1 374.437 3.217 20 5 FGBDMO Cc1ccccc1OCC[N@@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000533216270 503764546 /nfs/dbraw/zinc/76/45/46/503764546.db2.gz LMINDXHFBLSLIJ-GOSISDBHSA-N 1 1 369.421 3.019 20 5 FGBDMO Cc1ccccc1OCC[N@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000533216270 503764551 /nfs/dbraw/zinc/76/45/51/503764551.db2.gz LMINDXHFBLSLIJ-GOSISDBHSA-N 1 1 369.421 3.019 20 5 FGBDMO Cc1c(Br)c(N[C@H](C)C2=CC[N@@H+](C)CC2)ncc1[N+](=O)[O-] ZINC000543437343 503770230 /nfs/dbraw/zinc/77/02/30/503770230.db2.gz TVXOKABRNORCBK-SNVBAGLBSA-N 1 1 355.236 3.123 20 5 FGBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000543444294 503773053 /nfs/dbraw/zinc/77/30/53/503773053.db2.gz KVRQZHBNSMAJIN-JTQLQIEISA-N 1 1 362.352 3.465 20 5 FGBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000543444378 503773535 /nfs/dbraw/zinc/77/35/35/503773535.db2.gz KVRQZHBNSMAJIN-SNVBAGLBSA-N 1 1 362.352 3.465 20 5 FGBDMO O=C(CC[N@H+]1CC[C@H](Cc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000533293617 503794648 /nfs/dbraw/zinc/79/46/48/503794648.db2.gz WEBPKXXSZSUECU-QGZVFWFLSA-N 1 1 353.422 3.488 20 5 FGBDMO C[C@H](C(=O)NCC[N@@H+](C)C1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000543537726 503803877 /nfs/dbraw/zinc/80/38/77/503803877.db2.gz LICLTEIQGRQJFL-ZDUSSCGKSA-N 1 1 351.422 3.218 20 5 FGBDMO C[C@H](CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@@H]1C ZINC000540545573 503812670 /nfs/dbraw/zinc/81/26/70/503812670.db2.gz SVAARMGVKLRUEG-JKSUJKDBSA-N 1 1 371.485 3.348 20 5 FGBDMO C[C@H](CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@@H]1C ZINC000540545573 503812672 /nfs/dbraw/zinc/81/26/72/503812672.db2.gz SVAARMGVKLRUEG-JKSUJKDBSA-N 1 1 371.485 3.348 20 5 FGBDMO O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000533364559 503819517 /nfs/dbraw/zinc/81/95/17/503819517.db2.gz QDZIXIXPMFALSS-MRXNPFEDSA-N 1 1 358.373 3.130 20 5 FGBDMO O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000533364559 503819519 /nfs/dbraw/zinc/81/95/19/503819519.db2.gz QDZIXIXPMFALSS-MRXNPFEDSA-N 1 1 358.373 3.130 20 5 FGBDMO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCC[N@@H+]1CC=CCC1 ZINC000530378170 503942592 /nfs/dbraw/zinc/94/25/92/503942592.db2.gz VUTAYGOWDKUCEF-UHFFFAOYSA-N 1 1 366.290 3.318 20 5 FGBDMO COC(=O)COc1ccc(C[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)cc1[N+](=O)[O-] ZINC000530441409 503965430 /nfs/dbraw/zinc/96/54/30/503965430.db2.gz QHENEKUWLYALKV-DOMZBBRYSA-N 1 1 374.393 3.153 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[NH+](C/C=C/c3ccccc3)CC2)n1 ZINC000541005843 503972816 /nfs/dbraw/zinc/97/28/16/503972816.db2.gz BQNOBHKQDMTMMZ-RMKNXTFCSA-N 1 1 352.438 3.442 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000541022935 503978525 /nfs/dbraw/zinc/97/85/25/503978525.db2.gz OVQZWDZQJBPWDL-HNNXBMFYSA-N 1 1 370.327 3.445 20 5 FGBDMO CC(C)(C)C[C@H]1CCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544057748 503990244 /nfs/dbraw/zinc/99/02/44/503990244.db2.gz PBMXYHRIILFPAJ-OAHLLOKOSA-N 1 1 354.472 3.269 20 5 FGBDMO CC[NH+](CC)CCOC1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000537661054 503996449 /nfs/dbraw/zinc/99/64/49/503996449.db2.gz LJFLTSYXZSRBDM-CLFYSBASSA-N 1 1 361.486 3.431 20 5 FGBDMO CC[NH+](CC)CCOC1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000537661056 503996948 /nfs/dbraw/zinc/99/69/48/503996948.db2.gz LJFLTSYXZSRBDM-VQHVLOKHSA-N 1 1 361.486 3.431 20 5 FGBDMO Cc1ccc(C[C@H]2CCC[N@H+]2C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000544143752 504025594 /nfs/dbraw/zinc/02/55/94/504025594.db2.gz JEDNRYMZMHRIDH-MOPGFXCFSA-N 1 1 370.449 3.350 20 5 FGBDMO O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000530622529 504029719 /nfs/dbraw/zinc/02/97/19/504029719.db2.gz XTDPRKQHZYLPRK-LJQANCHMSA-N 1 1 371.412 3.405 20 5 FGBDMO O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000530622529 504029725 /nfs/dbraw/zinc/02/97/25/504029725.db2.gz XTDPRKQHZYLPRK-LJQANCHMSA-N 1 1 371.412 3.405 20 5 FGBDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000518639248 504034499 /nfs/dbraw/zinc/03/44/99/504034499.db2.gz MXPAYUIXTZIHSZ-MRXNPFEDSA-N 1 1 354.410 3.149 20 5 FGBDMO CC(C)[N@H+](Cc1ccccc1F)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000541272429 504069326 /nfs/dbraw/zinc/06/93/26/504069326.db2.gz CZIZEJHRQDAAOJ-MRXNPFEDSA-N 1 1 362.401 3.384 20 5 FGBDMO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000538143648 504144560 /nfs/dbraw/zinc/14/45/60/504144560.db2.gz GQUNBAKZQNNABE-LLVKDONJSA-N 1 1 365.336 3.486 20 5 FGBDMO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1C ZINC000534511554 504159578 /nfs/dbraw/zinc/15/95/78/504159578.db2.gz CNQZODUACAASBA-SFHVURJKSA-N 1 1 370.449 3.318 20 5 FGBDMO Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1C ZINC000534511554 504159582 /nfs/dbraw/zinc/15/95/82/504159582.db2.gz CNQZODUACAASBA-SFHVURJKSA-N 1 1 370.449 3.318 20 5 FGBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000547788233 504226559 /nfs/dbraw/zinc/22/65/59/504226559.db2.gz KREXGERCPRDCDK-LLVKDONJSA-N 1 1 374.363 3.465 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)c1 ZINC000538401383 504235423 /nfs/dbraw/zinc/23/54/23/504235423.db2.gz YAIXVPQHWIXPSI-JKSUJKDBSA-N 1 1 363.458 3.051 20 5 FGBDMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])cn3)cc2)C1 ZINC000531878040 504456848 /nfs/dbraw/zinc/45/68/48/504456848.db2.gz JJROEGNPRCBTOL-AWEZNQCLSA-N 1 1 354.410 3.474 20 5 FGBDMO O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)c1ccc([N+](=O)[O-])cn1 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O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@H](Oc3cccc(F)c3)C1)OCCO2 ZINC000612404173 506567368 /nfs/dbraw/zinc/56/73/68/506567368.db2.gz JQQVNDOLWRRAJM-INIZCTEOSA-N 1 1 374.368 3.158 20 5 FGBDMO CCC(O)(CC)C[N@@H+](C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000599673469 506569628 /nfs/dbraw/zinc/56/96/28/506569628.db2.gz POGOZGUWVDQMKX-UHFFFAOYSA-N 1 1 362.373 3.188 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000612446021 506582320 /nfs/dbraw/zinc/58/23/20/506582320.db2.gz MKBJPBMIHXQVKZ-INIZCTEOSA-N 1 1 363.421 3.249 20 5 FGBDMO CC(C)C[N@@H+](C)CCCNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000593480642 506643693 /nfs/dbraw/zinc/64/36/93/506643693.db2.gz UVQFRLOQDWYLRK-UHFFFAOYSA-N 1 1 362.474 3.221 20 5 FGBDMO O=[N+]([O-])c1cc(F)ccc1N1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000593495801 506653065 /nfs/dbraw/zinc/65/30/65/506653065.db2.gz JGNXVSHILOTLDR-UXHICEINSA-N 1 1 371.412 3.214 20 5 FGBDMO CCN(C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)[C@@H]1CC[N@@H+](CC)C1 ZINC000599834103 506666370 /nfs/dbraw/zinc/66/63/70/506666370.db2.gz FTUOBQMULSGRJR-CYBMUJFWSA-N 1 1 357.414 3.091 20 5 FGBDMO CC[N@H+]1C[C@H](C)N(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C[C@@H]1C ZINC000599833397 506666583 /nfs/dbraw/zinc/66/65/83/506666583.db2.gz RCXIBASOXUBKKI-STQMWFEESA-N 1 1 357.414 3.089 20 5 FGBDMO C[C@@H]1[C@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000593708321 506743389 /nfs/dbraw/zinc/74/33/89/506743389.db2.gz SNLDEDOTKGQALN-RDTXWAMCSA-N 1 1 371.412 3.056 20 5 FGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000609157786 506798109 /nfs/dbraw/zinc/79/81/09/506798109.db2.gz WXGIPMSGGVVNKN-XJKSGUPXSA-N 1 1 368.397 3.239 20 5 FGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000609157786 506798114 /nfs/dbraw/zinc/79/81/14/506798114.db2.gz WXGIPMSGGVVNKN-XJKSGUPXSA-N 1 1 368.397 3.239 20 5 FGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000609189951 506807173 /nfs/dbraw/zinc/80/71/73/506807173.db2.gz HIFOHNFNWIDSJU-CYBMUJFWSA-N 1 1 351.472 3.066 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@H](Cn4ccnn4)C3)s2)cc1 ZINC000597174104 506812253 /nfs/dbraw/zinc/81/22/53/506812253.db2.gz JPBLEPWHXDTGHI-AWEZNQCLSA-N 1 1 369.450 3.437 20 5 FGBDMO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000597224475 506846995 /nfs/dbraw/zinc/84/69/95/506846995.db2.gz HBVDQLVUGBSOHM-CQSZACIVSA-N 1 1 372.425 3.043 20 5 FGBDMO C[C@@H]([NH2+]Cc1ccc(OCC(F)(F)F)nn1)c1cccc([N+](=O)[O-])c1 ZINC000593972075 506859055 /nfs/dbraw/zinc/85/90/55/506859055.db2.gz NFSYRNWEYAJNAV-SNVBAGLBSA-N 1 1 356.304 3.177 20 5 FGBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000600227458 506859745 /nfs/dbraw/zinc/85/97/45/506859745.db2.gz CODSQFDLWKMUER-OAHLLOKOSA-N 1 1 356.426 3.213 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000590602822 506875921 /nfs/dbraw/zinc/87/59/21/506875921.db2.gz YMIRIDRWCHKLOQ-CABCVRRESA-N 1 1 354.410 3.196 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000590602822 506875931 /nfs/dbraw/zinc/87/59/31/506875931.db2.gz YMIRIDRWCHKLOQ-CABCVRRESA-N 1 1 354.410 3.196 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](c3ccccn3)C2)c2c(c1)COCO2 ZINC000590600038 506876768 /nfs/dbraw/zinc/87/67/68/506876768.db2.gz JKKHODOPBILHLR-AWEZNQCLSA-N 1 1 355.394 3.236 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000609464242 506890279 /nfs/dbraw/zinc/89/02/79/506890279.db2.gz TUTAZQARJQBMLY-OAHLLOKOSA-N 1 1 363.849 3.448 20 5 FGBDMO NC(=O)c1cccc(C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000590747011 506936260 /nfs/dbraw/zinc/93/62/60/506936260.db2.gz NNKDUDZEOZPROA-UHFFFAOYSA-N 1 1 369.421 3.127 20 5 FGBDMO CC[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000609625708 506952630 /nfs/dbraw/zinc/95/26/30/506952630.db2.gz QCLWXLIVNCUZBT-YLJYHZDGSA-N 1 1 356.422 3.344 20 5 FGBDMO C[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000609854972 507024700 /nfs/dbraw/zinc/02/47/00/507024700.db2.gz ZPAFFHSNDMQYSP-CYBMUJFWSA-N 1 1 373.840 3.425 20 5 FGBDMO COc1cc(Cn2cc[nH+]c2C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000600611227 507032494 /nfs/dbraw/zinc/03/24/94/507032494.db2.gz OILGKEKRYKWFBR-UHFFFAOYSA-N 1 1 353.325 3.370 20 5 FGBDMO CCOC(=O)CCC1CC[NH+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000613383002 507059614 /nfs/dbraw/zinc/05/96/14/507059614.db2.gz GLMWLMBCJDRDNF-UHFFFAOYSA-N 1 1 368.405 3.298 20 5 FGBDMO O=C([C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000594295840 507066971 /nfs/dbraw/zinc/06/69/71/507066971.db2.gz XAQMIILJCUBDJD-SFHVURJKSA-N 1 1 365.433 3.396 20 5 FGBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000597710886 507070136 /nfs/dbraw/zinc/07/01/36/507070136.db2.gz PTUCAZQVTYXZFX-FXAWDEMLSA-N 1 1 359.470 3.108 20 5 FGBDMO CC(C)(C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000610036915 507078210 /nfs/dbraw/zinc/07/82/10/507078210.db2.gz UYSNHRJRBGBBNP-SFHVURJKSA-N 1 1 367.449 3.263 20 5 FGBDMO O=C(CC[N@@H+]1CCC[C@@H]1c1ccc(O)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000591017551 507078509 /nfs/dbraw/zinc/07/85/09/507078509.db2.gz VUPJVKSRFUZWJV-GOSISDBHSA-N 1 1 355.394 3.466 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597860490 507139828 /nfs/dbraw/zinc/13/98/28/507139828.db2.gz NCQQIGMFOVYOII-LBPRGKRZSA-N 1 1 353.850 3.407 20 5 FGBDMO COc1ccc(-c2nc(CCCCn3c[nH+]c(C)c3C)no2)cc1[N+](=O)[O-] ZINC000594533475 507174801 /nfs/dbraw/zinc/17/48/01/507174801.db2.gz BIFGZTLLKGNTBM-UHFFFAOYSA-N 1 1 371.397 3.490 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000597924392 507177647 /nfs/dbraw/zinc/17/76/47/507177647.db2.gz QMYLUIMNKFCKOV-NSHDSACASA-N 1 1 359.348 3.216 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000600997739 507221148 /nfs/dbraw/zinc/22/11/48/507221148.db2.gz BVDXOGIJDMYWCF-OKILXGFUSA-N 1 1 351.422 3.222 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@H](OCc4ccccn4)C3)c2c1 ZINC000601131475 507272787 /nfs/dbraw/zinc/27/27/87/507272787.db2.gz LRNHIHOBKREDKW-INIZCTEOSA-N 1 1 350.378 3.334 20 5 FGBDMO C[C@](CO)([NH2+]Cc1csc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000601148641 507277804 /nfs/dbraw/zinc/27/78/04/507277804.db2.gz GBLCAYXHBCCYTM-CQSZACIVSA-N 1 1 371.256 3.416 20 5 FGBDMO COc1ccc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000601148787 507277819 /nfs/dbraw/zinc/27/78/19/507277819.db2.gz GOJDGXJCJBNMNQ-KRWDZBQOSA-N 1 1 350.802 3.254 20 5 FGBDMO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000613860817 507283608 /nfs/dbraw/zinc/28/36/08/507283608.db2.gz HAHAVVRQZFVRRX-LBPRGKRZSA-N 1 1 372.347 3.219 20 5 FGBDMO COc1ccc(CN2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000610543129 507284664 /nfs/dbraw/zinc/28/46/64/507284664.db2.gz MZSPYAJRAFSTQC-SFHVURJKSA-N 1 1 355.438 3.310 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000598195616 507307185 /nfs/dbraw/zinc/30/71/85/507307185.db2.gz PQXPEHSLKPWTSW-LJQANCHMSA-N 1 1 367.449 3.292 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000598196118 507308002 /nfs/dbraw/zinc/30/80/02/507308002.db2.gz ZQWIGOKILWONOM-SFHVURJKSA-N 1 1 367.449 3.292 20 5 FGBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601266652 507316824 /nfs/dbraw/zinc/31/68/24/507316824.db2.gz DMJZHNDJDBTCNX-QGZVFWFLSA-N 1 1 371.481 3.207 20 5 FGBDMO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000598220013 507323676 /nfs/dbraw/zinc/32/36/76/507323676.db2.gz NJLCNZQTILFAKI-AWEZNQCLSA-N 1 1 356.426 3.213 20 5 FGBDMO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000598222070 507324531 /nfs/dbraw/zinc/32/45/31/507324531.db2.gz ZUHYHXDLGASVOC-GFCCVEGCSA-N 1 1 351.834 3.385 20 5 FGBDMO C[C@@H](C[NH+]1CCC(C)CC1)NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000594979293 507339330 /nfs/dbraw/zinc/33/93/30/507339330.db2.gz INWYUTDJLDLOQX-INIZCTEOSA-N 1 1 371.485 3.205 20 5 FGBDMO CCOC(=O)c1cc(N2CCC[N@H+](C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000610716016 507362360 /nfs/dbraw/zinc/36/23/60/507362360.db2.gz OWPLJRBSSOHGPG-UHFFFAOYSA-N 1 1 361.442 3.226 20 5 FGBDMO CCOC(=O)Cc1ccc(NCC[NH+]2Cc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000591903567 507403438 /nfs/dbraw/zinc/40/34/38/507403438.db2.gz PETZHXMXTOMRJY-UHFFFAOYSA-N 1 1 369.421 3.128 20 5 FGBDMO CCCCCNC(=O)C1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595299681 507453675 /nfs/dbraw/zinc/45/36/75/507453675.db2.gz YPBSFNUBWZDNEL-UHFFFAOYSA-N 1 1 351.422 3.252 20 5 FGBDMO Cc1c(CC(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000610971057 507459624 /nfs/dbraw/zinc/45/96/24/507459624.db2.gz JDPNGERURJMSDS-LJQANCHMSA-N 1 1 367.449 3.179 20 5 FGBDMO CSc1cccc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000598510186 507467056 /nfs/dbraw/zinc/46/70/56/507467056.db2.gz NZYNLUDKNUVXMO-OAHLLOKOSA-N 1 1 371.462 3.321 20 5 FGBDMO CSc1cccc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000598510186 507467059 /nfs/dbraw/zinc/46/70/59/507467059.db2.gz NZYNLUDKNUVXMO-OAHLLOKOSA-N 1 1 371.462 3.321 20 5 FGBDMO C[C@@H](C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000598508769 507467205 /nfs/dbraw/zinc/46/72/05/507467205.db2.gz HXJDQVQTEYUIPQ-PBHICJAKSA-N 1 1 371.412 3.228 20 5 FGBDMO CC(C)[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@H](O)COc1ccccc1 ZINC000595468376 507512984 /nfs/dbraw/zinc/51/29/84/507512984.db2.gz ZDNZLWVWIJSMBT-KRWDZBQOSA-N 1 1 362.401 3.384 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000595520473 507541037 /nfs/dbraw/zinc/54/10/37/507541037.db2.gz PRBGYSMOOXQCJK-INIZCTEOSA-N 1 1 362.474 3.090 20 5 FGBDMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611171052 507546011 /nfs/dbraw/zinc/54/60/11/507546011.db2.gz OHMADPDTJOLCGE-KBXCAEBGSA-N 1 1 356.426 3.308 20 5 FGBDMO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCC[N@H+](C2CCCC2)CC1 ZINC000611196196 507557016 /nfs/dbraw/zinc/55/70/16/507557016.db2.gz HTXVSENAKAXAQS-UHFFFAOYSA-N 1 1 356.426 3.167 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCS[C@H]3CCCC[C@@H]31)OCCO2 ZINC000611274241 507599307 /nfs/dbraw/zinc/59/93/07/507599307.db2.gz DIIWREZJHMKSJU-GUYCJALGSA-N 1 1 350.440 3.226 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCS[C@H]3CCCC[C@@H]31)OCCO2 ZINC000611274241 507599315 /nfs/dbraw/zinc/59/93/15/507599315.db2.gz DIIWREZJHMKSJU-GUYCJALGSA-N 1 1 350.440 3.226 20 5 FGBDMO COc1ccc(C[N@H+]2CC[C@H](n3cnc4c3CCCC4)C2)cc1[N+](=O)[O-] ZINC000614741404 507639795 /nfs/dbraw/zinc/63/97/95/507639795.db2.gz ZFQJGPOOZFADJA-HNNXBMFYSA-N 1 1 356.426 3.126 20 5 FGBDMO Cc1cc(OC[C@H](O)C[N@H+](C)Cc2ccccc2)c(Cl)cc1[N+](=O)[O-] ZINC000585819138 507646969 /nfs/dbraw/zinc/64/69/69/507646969.db2.gz GMTHACNHJCPMDO-OAHLLOKOSA-N 1 1 364.829 3.428 20 5 FGBDMO O=C(NCc1ccccc1)[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000592523138 507693402 /nfs/dbraw/zinc/69/34/02/507693402.db2.gz KAXRTIXTMQCGQP-FUKWUPMWSA-N 1 1 365.433 3.246 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C(=O)NCc2ccccc2)C1 ZINC000592523795 507695020 /nfs/dbraw/zinc/69/50/20/507695020.db2.gz QIWNKGGLRFNYPZ-SFHVURJKSA-N 1 1 353.422 3.042 20 5 FGBDMO COCCOc1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000602510061 507731933 /nfs/dbraw/zinc/73/19/33/507731933.db2.gz ITQIHQRUOUZLGK-UHFFFAOYSA-N 1 1 357.366 3.051 20 5 FGBDMO COc1cc(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c([N+](=O)[O-])cc1F ZINC000595911215 507739630 /nfs/dbraw/zinc/73/96/30/507739630.db2.gz TUWKHOKYRFSLTH-HDICACEKSA-N 1 1 350.390 3.135 20 5 FGBDMO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1cccc(-c2nn[nH]n2)c1 ZINC000820426598 599394155 /nfs/dbraw/zinc/39/41/55/599394155.db2.gz LYMWRCZUSVGSCA-SNVBAGLBSA-N 1 1 358.789 3.279 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccc(F)cc2-c2nn[nH]n2)C2CC2)cc1 ZINC000826498330 608173379 /nfs/dbraw/zinc/17/33/79/608173379.db2.gz PWKIMDGSESDBPN-UHFFFAOYSA-N 1 1 368.372 3.079 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826500077 608466847 /nfs/dbraw/zinc/46/68/47/608466847.db2.gz KGNDTJCXHGIKGM-UHFFFAOYSA-N 1 1 362.393 3.064 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826500077 608466848 /nfs/dbraw/zinc/46/68/48/608466848.db2.gz KGNDTJCXHGIKGM-UHFFFAOYSA-N 1 1 362.393 3.064 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C2CC2)cc1 ZINC000826497982 608532756 /nfs/dbraw/zinc/53/27/56/608532756.db2.gz BNQSBUGNQCTHRP-UHFFFAOYSA-N 1 1 356.411 3.001 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C2CC2)cc1 ZINC000826497982 608532757 /nfs/dbraw/zinc/53/27/57/608532757.db2.gz BNQSBUGNQCTHRP-UHFFFAOYSA-N 1 1 356.411 3.001 20 5 FGBDMO COC(=O)[C@H](C)C[N@H+](Cn1c2cc([N+](=O)[O-])ccc2oc1=S)C1CC1 ZINC000102652877 700477173 /nfs/dbraw/zinc/47/71/73/700477173.db2.gz UNBHFDKWVHWRQT-SNVBAGLBSA-N 1 1 365.411 3.103 20 5 FGBDMO COC(=O)[C@H](C)C[N@@H+](Cn1c2cc([N+](=O)[O-])ccc2oc1=S)C1CC1 ZINC000102652877 700477177 /nfs/dbraw/zinc/47/71/77/700477177.db2.gz UNBHFDKWVHWRQT-SNVBAGLBSA-N 1 1 365.411 3.103 20 5 FGBDMO O=[N+]([O-])c1cn(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)nc1-c1ccncc1 ZINC000245890798 713613065 /nfs/dbraw/zinc/61/30/65/713613065.db2.gz NYKQPKKNYQRMTG-ZBFHGGJFSA-N 1 1 359.455 3.171 20 5 FGBDMO O=[N+]([O-])c1cn(C[N@H+]2CCS[C@H]3CCCC[C@H]32)nc1-c1ccncc1 ZINC000245890798 713613068 /nfs/dbraw/zinc/61/30/68/713613068.db2.gz NYKQPKKNYQRMTG-ZBFHGGJFSA-N 1 1 359.455 3.171 20 5 FGBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000247050643 713635309 /nfs/dbraw/zinc/63/53/09/713635309.db2.gz UGSMHOZFAPRBPL-GXTWGEPZSA-N 1 1 362.455 3.246 20 5 FGBDMO C[N@H+]1C[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000374309084 713912423 /nfs/dbraw/zinc/91/24/23/713912423.db2.gz LMGGNLDOHMNZBL-HZPDHXFCSA-N 1 1 359.813 3.076 20 5 FGBDMO C[N@H+]1C[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000374309082 713912506 /nfs/dbraw/zinc/91/25/06/713912506.db2.gz LMGGNLDOHMNZBL-CVEARBPZSA-N 1 1 359.813 3.076 20 5 FGBDMO Cc1nc(CO[C@H]2CC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)cs1 ZINC000374918475 713953505 /nfs/dbraw/zinc/95/35/05/713953505.db2.gz WJFGLWDTKXKMNC-KRWDZBQOSA-N 1 1 363.439 3.030 20 5 FGBDMO C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@H]1CCCC[C@@H]1O ZINC000779152803 724395932 /nfs/dbraw/zinc/39/59/32/724395932.db2.gz GNOPTGUDWJMHGC-DOMZBBRYSA-N 1 1 357.248 3.340 20 5 FGBDMO Cc1cc(N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cc[nH+]1 ZINC000766077285 723554334 /nfs/dbraw/zinc/55/43/34/723554334.db2.gz LSYCRGFQNXOSDB-UHFFFAOYSA-N 1 1 355.803 3.085 20 5 FGBDMO O=C1CCCN1C[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000782476005 724673093 /nfs/dbraw/zinc/67/30/93/724673093.db2.gz RLZONSDITIKLSI-HNNXBMFYSA-N 1 1 351.834 3.225 20 5 FGBDMO O=C1CCCN1C[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000782476005 724673095 /nfs/dbraw/zinc/67/30/95/724673095.db2.gz RLZONSDITIKLSI-HNNXBMFYSA-N 1 1 351.834 3.225 20 5 FGBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CCC(F)(F)F ZINC000782483704 724674183 /nfs/dbraw/zinc/67/41/83/724674183.db2.gz QDJZLTHCGCLMHK-UHFFFAOYSA-N 1 1 351.300 3.337 20 5 FGBDMO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001164772416 721287486 /nfs/dbraw/zinc/28/74/86/721287486.db2.gz GHCRGUYAKVHJDX-UHFFFAOYSA-N 1 1 357.241 3.219 20 5 FGBDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cccc([N+](=O)[O-])n1)CC2 ZINC001164793220 721492024 /nfs/dbraw/zinc/49/20/24/721492024.db2.gz QBCMHQUVGNCEPH-UHFFFAOYSA-N 1 1 367.453 3.266 20 5 FGBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N(C)CCCn1cc[nH+]c1C ZINC000790272608 723120787 /nfs/dbraw/zinc/12/07/87/723120787.db2.gz VXHANUGNMCBDHR-UHFFFAOYSA-N 1 1 366.805 3.066 20 5 FGBDMO Cn1cc[nH+]c1[C@H]1CCCN(c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000767454098 723619818 /nfs/dbraw/zinc/61/98/18/723619818.db2.gz RKXJYZJVGGHCIO-NSHDSACASA-N 1 1 365.231 3.475 20 5 FGBDMO Cn1cc[nH+]c1[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000767459278 723620032 /nfs/dbraw/zinc/62/00/32/723620032.db2.gz SPNKFOZTATZNKF-LLVKDONJSA-N 1 1 365.231 3.475 20 5 FGBDMO O=C([C@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1)N1CCCC1 ZINC000768554576 723661668 /nfs/dbraw/zinc/66/16/68/723661668.db2.gz KIQUTTAJTNWINA-AWEZNQCLSA-N 1 1 351.834 3.083 20 5 FGBDMO O=C([C@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1)N1CCCC1 ZINC000768554576 723661669 /nfs/dbraw/zinc/66/16/69/723661669.db2.gz KIQUTTAJTNWINA-AWEZNQCLSA-N 1 1 351.834 3.083 20 5 FGBDMO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CCC[C@H]4COCC[C@H]43)c2c(Cl)c1 ZINC000774637547 723912967 /nfs/dbraw/zinc/91/29/67/723912967.db2.gz NYXRYLIHHGTVHC-XHDPSFHLSA-N 1 1 350.806 3.056 20 5 FGBDMO O=[N+]([O-])c1cc2cnn(C[N@H+]3CCC[C@H]4COCC[C@H]43)c2c(Cl)c1 ZINC000774637547 723912971 /nfs/dbraw/zinc/91/29/71/723912971.db2.gz NYXRYLIHHGTVHC-XHDPSFHLSA-N 1 1 350.806 3.056 20 5 FGBDMO O=[N+]([O-])c1cc2cnn(C[N@H+]3CC[C@H](C4CCOCC4)C3)c2c(Cl)c1 ZINC000774640055 723913784 /nfs/dbraw/zinc/91/37/84/723913784.db2.gz PCNCWWCPJVHART-ZDUSSCGKSA-N 1 1 364.833 3.304 20 5 FGBDMO CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000798963763 723980929 /nfs/dbraw/zinc/98/09/29/723980929.db2.gz JMWZBNRJFNTRHV-KRWDZBQOSA-N 1 1 370.833 3.040 20 5 FGBDMO CCOC(=O)[C@@]1(COC)CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000798963763 723980931 /nfs/dbraw/zinc/98/09/31/723980931.db2.gz JMWZBNRJFNTRHV-KRWDZBQOSA-N 1 1 370.833 3.040 20 5 FGBDMO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CC[C@H](c4ccccn4)C3)c2c(Cl)c1 ZINC000799158474 723993188 /nfs/dbraw/zinc/99/31/88/723993188.db2.gz MJCSIOWSXPWYEW-LBPRGKRZSA-N 1 1 357.801 3.440 20 5 FGBDMO O=[N+]([O-])c1cc2cnn(C[N@H+]3CC[C@H](c4ccccn4)C3)c2c(Cl)c1 ZINC000799158474 723993190 /nfs/dbraw/zinc/99/31/90/723993190.db2.gz MJCSIOWSXPWYEW-LBPRGKRZSA-N 1 1 357.801 3.440 20 5 FGBDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000785986786 724953304 /nfs/dbraw/zinc/95/33/04/724953304.db2.gz DGAOLCFVMOZNLT-SUNKGSAMSA-N 1 1 357.248 3.339 20 5 FGBDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000785986786 724953308 /nfs/dbraw/zinc/95/33/08/724953308.db2.gz DGAOLCFVMOZNLT-SUNKGSAMSA-N 1 1 357.248 3.339 20 5 FGBDMO CC(C)([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000809997476 725281340 /nfs/dbraw/zinc/28/13/40/725281340.db2.gz AKWANCXUYMSXNO-UHFFFAOYSA-N 1 1 360.241 3.392 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000810508319 725311511 /nfs/dbraw/zinc/31/15/11/725311511.db2.gz BNIDFFSMNSJVLA-INIZCTEOSA-N 1 1 357.813 3.077 20 5 FGBDMO Cc1[nH+]ccn1C[C@H](C)OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000810617767 725318233 /nfs/dbraw/zinc/31/82/33/725318233.db2.gz GBIZNCUXDMZXPW-VIFPVBQESA-N 1 1 357.288 3.364 20 5 FGBDMO COc1cc([N+](=O)[O-])c(C(=O)O[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1SC ZINC000810849784 725331104 /nfs/dbraw/zinc/33/11/04/725331104.db2.gz HREONSLWWXRSQD-RYUDHWBXSA-N 1 1 366.439 3.109 20 5 FGBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000811893099 725384100 /nfs/dbraw/zinc/38/41/00/725384100.db2.gz IPXYSABVINOWFK-LBPRGKRZSA-N 1 1 356.854 3.168 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](O)C23CCCC3)ccc1Br ZINC000814665785 726991411 /nfs/dbraw/zinc/99/14/11/726991411.db2.gz QKYZUJXCVDDQCM-AWEZNQCLSA-N 1 1 355.232 3.237 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](O)C23CCCC3)ccc1Br ZINC000814665785 726991413 /nfs/dbraw/zinc/99/14/13/726991413.db2.gz QKYZUJXCVDDQCM-AWEZNQCLSA-N 1 1 355.232 3.237 20 5 FGBDMO CC[NH+]1CCN(C[C@H](C)CNc2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000820628857 729012051 /nfs/dbraw/zinc/01/20/51/729012051.db2.gz CZNDWTKVYIQNIN-GFCCVEGCSA-N 1 1 358.845 3.073 20 5 FGBDMO C[NH+](C)Cc1ccc(NC(=O)CCC(C)(C)[N+](=O)[O-])cc1Br ZINC000829999146 729528342 /nfs/dbraw/zinc/52/83/42/729528342.db2.gz WWCKBDMHXHKNTE-UHFFFAOYSA-N 1 1 372.263 3.285 20 5 FGBDMO C[C@H]1Cc2[nH+]cn(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c2C[C@@H]1C ZINC000830918690 729601897 /nfs/dbraw/zinc/60/18/97/729601897.db2.gz IOKHXDJGXKIUTE-QWRGUYRKSA-N 1 1 362.817 3.454 20 5 FGBDMO C[C@@H]1CC2(C[N@H+]1Cn1ncc3cc([N+](=O)[O-])cc(Cl)c31)CCOCC2 ZINC000842639257 730523451 /nfs/dbraw/zinc/52/34/51/730523451.db2.gz QHOLADBGYYGXJE-GFCCVEGCSA-N 1 1 364.833 3.446 20 5 FGBDMO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)NCc1cccs1 ZINC000842749250 730539114 /nfs/dbraw/zinc/53/91/14/730539114.db2.gz AKJUHVHDZRSMRI-HNNXBMFYSA-N 1 1 367.858 3.494 20 5 FGBDMO COc1cc(C(=O)OC[C@@H]2CCC[N@H+](C(C)C)C2)c([N+](=O)[O-])cc1F ZINC000842830344 730547751 /nfs/dbraw/zinc/54/77/51/730547751.db2.gz MWEFEXVRJQHMLF-GFCCVEGCSA-N 1 1 354.378 3.020 20 5 FGBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000843768019 730652638 /nfs/dbraw/zinc/65/26/38/730652638.db2.gz RQUPHUQXJIVQLI-CYBMUJFWSA-N 1 1 351.422 3.427 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844437214 730717413 /nfs/dbraw/zinc/71/74/13/730717413.db2.gz MLOZQOWFUUGCPO-MRXNPFEDSA-N 1 1 353.369 3.353 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1Cl ZINC000847255699 731041082 /nfs/dbraw/zinc/04/10/82/731041082.db2.gz UVRVRMWFNSDTRB-HUUCEWRRSA-N 1 1 351.834 3.303 20 5 FGBDMO CCS[C@@H]1CCCC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853498745 731713882 /nfs/dbraw/zinc/71/38/82/731713882.db2.gz LWOFKCANQZFBFD-CQSZACIVSA-N 1 1 361.471 3.418 20 5 FGBDMO CCS[C@@H]1CCCC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853498745 731713885 /nfs/dbraw/zinc/71/38/85/731713885.db2.gz LWOFKCANQZFBFD-CQSZACIVSA-N 1 1 361.471 3.418 20 5 FGBDMO O=[N+]([O-])c1cn(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)nc1-c1ccccn1 ZINC000853502365 731714316 /nfs/dbraw/zinc/71/43/16/731714316.db2.gz YFDXECFXADKROV-GDBMZVCRSA-N 1 1 359.455 3.171 20 5 FGBDMO O=[N+]([O-])c1cn(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)nc1-c1ccccn1 ZINC000853502365 731714318 /nfs/dbraw/zinc/71/43/18/731714318.db2.gz YFDXECFXADKROV-GDBMZVCRSA-N 1 1 359.455 3.171 20 5 FGBDMO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000855810409 731958370 /nfs/dbraw/zinc/95/83/70/731958370.db2.gz YKOSUEWNEZYVMQ-CYBMUJFWSA-N 1 1 351.834 3.385 20 5 FGBDMO C[N@H+]1CCC[C@H]2CN(c3cccc(Br)c3[N+](=O)[O-])CC[C@H]21 ZINC000856736709 732050178 /nfs/dbraw/zinc/05/01/78/732050178.db2.gz RRSIHLBWQHRRKO-WCQYABFASA-N 1 1 354.248 3.278 20 5 FGBDMO Cn1cc[nH+]c1[C@@H]1CCCN(c2cccc(Br)c2[N+](=O)[O-])C1 ZINC000856746630 732052951 /nfs/dbraw/zinc/05/29/51/732052951.db2.gz SQKJJOGSPOVMJN-LLVKDONJSA-N 1 1 365.231 3.475 20 5 FGBDMO C[C@@H]([NH2+][C@@H](C)c1ccns1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000860055478 732442830 /nfs/dbraw/zinc/44/28/30/732442830.db2.gz ZNXFQLTUDCTJDB-DTWKUNHWSA-N 1 1 354.819 3.383 20 5 FGBDMO C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000863323598 732945282 /nfs/dbraw/zinc/94/52/82/732945282.db2.gz PZXCGNPEUFCINW-DGCLKSJQSA-N 1 1 365.231 3.389 20 5 FGBDMO C[NH+]1CCN(C2CCN(c3c(Cl)cc([N+](=O)[O-])cc3Cl)CC2)CC1 ZINC000866213811 733325442 /nfs/dbraw/zinc/32/54/42/733325442.db2.gz ZCYZLKHFIRIGLV-UHFFFAOYSA-N 1 1 373.284 3.118 20 5 FGBDMO CCc1nn(C)c(OC)c1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872045985 735581114 /nfs/dbraw/zinc/58/11/14/735581114.db2.gz CPANDQJLVGWPLF-LLVKDONJSA-N 1 1 364.471 3.472 20 5 FGBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCN(C(C)(C)C)C1=O ZINC000872081442 735586412 /nfs/dbraw/zinc/58/64/12/735586412.db2.gz HBUHLYQJGVZHHM-BXUZGUMPSA-N 1 1 351.472 3.367 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](c3nc(C)cs3)C2)c1 ZINC000877813494 736727182 /nfs/dbraw/zinc/72/71/82/736727182.db2.gz GXXOVVMGXCKFNA-ZDUSSCGKSA-N 1 1 361.423 3.136 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@@H+]2CC[C@@H](C(F)F)C2)o1 ZINC000878322084 736806292 /nfs/dbraw/zinc/80/62/92/736806292.db2.gz ZZPNSPMRXFAZHA-MRVPVSSYSA-N 1 1 358.732 3.385 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@H+]2CC[C@@H](C(F)F)C2)o1 ZINC000878322084 736806297 /nfs/dbraw/zinc/80/62/97/736806297.db2.gz ZZPNSPMRXFAZHA-MRVPVSSYSA-N 1 1 358.732 3.385 20 5 FGBDMO CO[C@H]1CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C[C@@H]1C ZINC000878678571 736907192 /nfs/dbraw/zinc/90/71/92/736907192.db2.gz JNKOHUFOSZVMGT-HZMBPMFUSA-N 1 1 366.805 3.155 20 5 FGBDMO CO[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C[C@@H]1C ZINC000878678571 736907194 /nfs/dbraw/zinc/90/71/94/736907194.db2.gz JNKOHUFOSZVMGT-HZMBPMFUSA-N 1 1 366.805 3.155 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@H](c4nccs4)C3)o2)cc1 ZINC000880314537 737151989 /nfs/dbraw/zinc/15/19/89/737151989.db2.gz CFMUOAULKJOYMZ-LBPRGKRZSA-N 1 1 357.395 3.091 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@H](c4nccs4)C3)o2)cc1 ZINC000880314537 737151991 /nfs/dbraw/zinc/15/19/91/737151991.db2.gz CFMUOAULKJOYMZ-LBPRGKRZSA-N 1 1 357.395 3.091 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000883295571 737548560 /nfs/dbraw/zinc/54/85/60/737548560.db2.gz MHPRKODCLWGBES-GFCCVEGCSA-N 1 1 351.204 3.248 20 5 FGBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886828191 739307562 /nfs/dbraw/zinc/30/75/62/739307562.db2.gz YZAWSSFKKKQYBJ-HSMVNMDESA-N 1 1 367.833 3.076 20 5 FGBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886828191 739307567 /nfs/dbraw/zinc/30/75/67/739307567.db2.gz YZAWSSFKKKQYBJ-HSMVNMDESA-N 1 1 367.833 3.076 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886827596 739307770 /nfs/dbraw/zinc/30/77/70/739307770.db2.gz NTGLZMTUBLCDGH-HSMVNMDESA-N 1 1 367.833 3.076 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886827596 739307776 /nfs/dbraw/zinc/30/77/76/739307776.db2.gz NTGLZMTUBLCDGH-HSMVNMDESA-N 1 1 367.833 3.076 20 5 FGBDMO C[C@H]1C[C@@H](C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000889695894 739708460 /nfs/dbraw/zinc/70/84/60/739708460.db2.gz AZNQYVSZMSNYCX-UWVGGRQHSA-N 1 1 356.220 3.026 20 5 FGBDMO COc1c(O)ccc(C[NH2+]Cc2ccnc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000894689717 742318443 /nfs/dbraw/zinc/31/84/43/742318443.db2.gz KMHGUFMUYGKJFK-UHFFFAOYSA-N 1 1 357.288 3.013 20 5 FGBDMO Cc1nc([C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)no1 ZINC000896231653 742517960 /nfs/dbraw/zinc/51/79/60/742517960.db2.gz SFJVTMIOQZONRY-LLVKDONJSA-N 1 1 356.304 3.295 20 5 FGBDMO Cc1nc([C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)no1 ZINC000896231653 742517963 /nfs/dbraw/zinc/51/79/63/742517963.db2.gz SFJVTMIOQZONRY-LLVKDONJSA-N 1 1 356.304 3.295 20 5 FGBDMO C[N@H+]1CCCC[C@H](CNC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000913005467 757427886 /nfs/dbraw/zinc/42/78/86/757427886.db2.gz FLGKLCPIJVLLHE-CYBMUJFWSA-N 1 1 353.850 3.029 20 5 FGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(Br)nc1N ZINC000930441703 760611149 /nfs/dbraw/zinc/61/11/49/760611149.db2.gz TZIPUNWPCICDHZ-UHFFFAOYSA-N 1 1 365.231 3.009 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCCSC[C@@H]2C2CC2)c2c(c1)COCO2 ZINC000933918699 761496198 /nfs/dbraw/zinc/49/61/98/761496198.db2.gz VKKYYZXPJKCMHU-MRXNPFEDSA-N 1 1 350.440 3.179 20 5 FGBDMO C[C@@H]([NH2+][C@H](C)c1cncs1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000934198921 761557995 /nfs/dbraw/zinc/55/79/95/761557995.db2.gz RTLRAQLEKBRZIU-RKDXNWHRSA-N 1 1 354.819 3.383 20 5 FGBDMO C[C@@H]1C[C@H](c2cccnc2)[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000359883787 210192318 /nfs/dbraw/zinc/19/23/18/210192318.db2.gz XMGUDMYIICSIAA-RDTXWAMCSA-N 1 1 354.410 3.036 20 5 FGBDMO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000359883787 210192322 /nfs/dbraw/zinc/19/23/22/210192322.db2.gz XMGUDMYIICSIAA-RDTXWAMCSA-N 1 1 354.410 3.036 20 5 FGBDMO O=C(C1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1)N1CCCCCC1 ZINC000047957116 257343314 /nfs/dbraw/zinc/34/33/14/257343314.db2.gz JGSJGOIVYZRGRQ-UHFFFAOYSA-N 1 1 363.433 3.349 20 5 FGBDMO C[C@H](Cc1ccsc1)[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000568306323 505662717 /nfs/dbraw/zinc/66/27/17/505662717.db2.gz AILSVMOGGPSGKT-CQSZACIVSA-N 1 1 359.451 3.045 20 5 FGBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCCc2ccccc21 ZINC000027906480 493765825 /nfs/dbraw/zinc/76/58/25/493765825.db2.gz BHWSCMBXLXJCPM-FQEVSTJZSA-N 1 1 365.433 3.493 20 5 FGBDMO CCOc1cc(N2CC[NH+](Cc3cccc(O)c3)CC2)ccc1[N+](=O)[O-] ZINC000080803783 493782124 /nfs/dbraw/zinc/78/21/24/493782124.db2.gz KFWONOCPLHXXMG-UHFFFAOYSA-N 1 1 357.410 3.021 20 5 FGBDMO Cc1sc2nc(C[N@H+](C)CCc3cccc([N+](=O)[O-])c3)nc(N)c2c1C ZINC000571228216 505684202 /nfs/dbraw/zinc/68/42/02/505684202.db2.gz XHBCDGCETYSISY-UHFFFAOYSA-N 1 1 371.466 3.473 20 5 FGBDMO Cc1sc2nc(C[N@@H+](C)CCc3cccc([N+](=O)[O-])c3)nc(N)c2c1C ZINC000571228216 505684205 /nfs/dbraw/zinc/68/42/05/505684205.db2.gz XHBCDGCETYSISY-UHFFFAOYSA-N 1 1 371.466 3.473 20 5 FGBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCc2ccccc21 ZINC000029490384 493841672 /nfs/dbraw/zinc/84/16/72/493841672.db2.gz HHGKNOAMAWLYGV-SFHVURJKSA-N 1 1 351.406 3.103 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000029536840 493843384 /nfs/dbraw/zinc/84/33/84/493843384.db2.gz ODJKTEYTBLRIKA-LJQANCHMSA-N 1 1 369.421 3.305 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000029536840 493843387 /nfs/dbraw/zinc/84/33/87/493843387.db2.gz ODJKTEYTBLRIKA-LJQANCHMSA-N 1 1 369.421 3.305 20 5 FGBDMO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000081289342 493860653 /nfs/dbraw/zinc/86/06/53/493860653.db2.gz FJZOLOFNGQIIFR-ZDUSSCGKSA-N 1 1 351.834 3.243 20 5 FGBDMO Cc1cccc([C@@H]2CCC[N@H+]2C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000059744544 493908707 /nfs/dbraw/zinc/90/87/07/493908707.db2.gz KZIYBOAVCOZBAA-ICSRJNTNSA-N 1 1 356.422 3.480 20 5 FGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCCN1C(=O)c2ccccc2C1=O ZINC000050508167 493919291 /nfs/dbraw/zinc/91/92/91/493919291.db2.gz IPELQEXLXIQRND-AWEZNQCLSA-N 1 1 367.405 3.274 20 5 FGBDMO CCOc1ccc(C[NH+]2CCN(c3cccc(F)c3[N+](=O)[O-])CC2)cc1 ZINC000060564937 493945506 /nfs/dbraw/zinc/94/55/06/493945506.db2.gz NIYUYYONYFXVKD-UHFFFAOYSA-N 1 1 359.401 3.455 20 5 FGBDMO O=[N+]([O-])c1ccccc1OCCN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000051212105 493954467 /nfs/dbraw/zinc/95/44/67/493954467.db2.gz FXNQDADUGDMXOI-RMKNXTFCSA-N 1 1 367.449 3.305 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCOc3ccccc3)CC2)c(Cl)c1 ZINC000069447875 493971916 /nfs/dbraw/zinc/97/19/16/493971916.db2.gz CGOOOKFPUOXGDI-UHFFFAOYSA-N 1 1 361.829 3.449 20 5 FGBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000062231606 494006951 /nfs/dbraw/zinc/00/69/51/494006951.db2.gz UVDDDSZGTJVQTA-QGZVFWFLSA-N 1 1 353.422 3.237 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](OCCC(C)C)C1 ZINC000083246800 494014402 /nfs/dbraw/zinc/01/44/02/494014402.db2.gz XOWYSDHMSDBABG-QGZVFWFLSA-N 1 1 363.458 3.369 20 5 FGBDMO CC(=O)c1ccc(NCc2cccc(C[NH+]3CCOCC3)c2)c([N+](=O)[O-])c1 ZINC000052429113 494025075 /nfs/dbraw/zinc/02/50/75/494025075.db2.gz YMNRCIRINAQMJV-UHFFFAOYSA-N 1 1 369.421 3.242 20 5 FGBDMO CC[N@@H+]1CCc2nc(NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)sc2C1 ZINC000052605120 494045232 /nfs/dbraw/zinc/04/52/32/494045232.db2.gz YTKIVSMCKIRRET-UHFFFAOYSA-N 1 1 371.422 3.163 20 5 FGBDMO CC[N@H+]1CCc2nc(NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)sc2C1 ZINC000052605120 494045235 /nfs/dbraw/zinc/04/52/35/494045235.db2.gz YTKIVSMCKIRRET-UHFFFAOYSA-N 1 1 371.422 3.163 20 5 FGBDMO COc1cccc(N2CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000033323954 494058274 /nfs/dbraw/zinc/05/82/74/494058274.db2.gz ILDLMJDSJJWLFS-ALCCZGGFSA-N 1 1 353.422 3.439 20 5 FGBDMO CCN(C(=O)c1ccc([N+](=O)[O-])o1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000070892762 494065806 /nfs/dbraw/zinc/06/58/06/494065806.db2.gz PBQSOBOVWOYMKS-HOCLYGCPSA-N 1 1 357.410 3.485 20 5 FGBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1c([N+](=O)[O-])nc(C)n1CC ZINC000577291261 505701519 /nfs/dbraw/zinc/70/15/19/505701519.db2.gz DSJAABAETUNIOS-SFHVURJKSA-N 1 1 371.485 3.468 20 5 FGBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000064225271 494107336 /nfs/dbraw/zinc/10/73/36/494107336.db2.gz ISQWBVZZALWXPQ-UHFFFAOYSA-N 1 1 356.426 3.046 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000053373967 494123922 /nfs/dbraw/zinc/12/39/22/494123922.db2.gz RLZBPTGAVIEANW-OAHLLOKOSA-N 1 1 371.462 3.321 20 5 FGBDMO CNC(=O)c1ccc(NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000053572138 494148527 /nfs/dbraw/zinc/14/85/27/494148527.db2.gz YNOABGMYXXDHDM-GASCZTMLSA-N 1 1 362.474 3.124 20 5 FGBDMO CC(C)[N@@H+](C)CCCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000041318396 494156472 /nfs/dbraw/zinc/15/64/72/494156472.db2.gz DHXXBWBEDQNUHM-UHFFFAOYSA-N 1 1 365.477 3.001 20 5 FGBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000065101989 494173236 /nfs/dbraw/zinc/17/32/36/494173236.db2.gz YAFIUGCNAPMOCL-HOCLYGCPSA-N 1 1 372.450 3.075 20 5 FGBDMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000054059069 494191014 /nfs/dbraw/zinc/19/10/14/494191014.db2.gz KIORXZZFSDINCO-INIZCTEOSA-N 1 1 361.373 3.284 20 5 FGBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCc2cccs2)c([N+](=O)[O-])c1 ZINC000072800594 494253184 /nfs/dbraw/zinc/25/31/84/494253184.db2.gz DNABVCCIXANTCB-LBPRGKRZSA-N 1 1 363.439 3.166 20 5 FGBDMO Cc1cc(C)cc(OC[C@H](O)C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000088616537 494253974 /nfs/dbraw/zinc/25/39/74/494253974.db2.gz RDMVQAWHGVHBIE-LJQANCHMSA-N 1 1 356.422 3.010 20 5 FGBDMO Cc1cc(C)cc(OC[C@H](O)C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000088616537 494253978 /nfs/dbraw/zinc/25/39/78/494253978.db2.gz RDMVQAWHGVHBIE-LJQANCHMSA-N 1 1 356.422 3.010 20 5 FGBDMO Cc1ccc(NC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000043148688 494271144 /nfs/dbraw/zinc/27/11/44/494271144.db2.gz SXIGSGQRNQZVSF-UHFFFAOYSA-N 1 1 354.410 3.253 20 5 FGBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000066126733 494277968 /nfs/dbraw/zinc/27/79/68/494277968.db2.gz IDAAHKBUCGDUCX-INIZCTEOSA-N 1 1 365.477 3.001 20 5 FGBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000066126732 494278440 /nfs/dbraw/zinc/27/84/40/494278440.db2.gz IDAAHKBUCGDUCX-MRXNPFEDSA-N 1 1 365.477 3.001 20 5 FGBDMO C[C@@H]1CCC[N@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000014787000 494324800 /nfs/dbraw/zinc/32/48/00/494324800.db2.gz IOYQOJWGXNHJOA-GFCCVEGCSA-N 1 1 360.439 3.389 20 5 FGBDMO C[C@@H]1CCC[N@@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000014787000 494324804 /nfs/dbraw/zinc/32/48/04/494324804.db2.gz IOYQOJWGXNHJOA-GFCCVEGCSA-N 1 1 360.439 3.389 20 5 FGBDMO Cc1ccccc1OCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000015099482 494339146 /nfs/dbraw/zinc/33/91/46/494339146.db2.gz TUFLMJDUEGEUHK-HNNXBMFYSA-N 1 1 357.410 3.241 20 5 FGBDMO Cc1ccccc1OCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000015099482 494339151 /nfs/dbraw/zinc/33/91/51/494339151.db2.gz TUFLMJDUEGEUHK-HNNXBMFYSA-N 1 1 357.410 3.241 20 5 FGBDMO CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000044770625 494379287 /nfs/dbraw/zinc/37/92/87/494379287.db2.gz ONCWXVIROXSUQJ-KRWDZBQOSA-N 1 1 371.437 3.391 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000089952678 494412330 /nfs/dbraw/zinc/41/23/30/494412330.db2.gz PPMGRQRHXRHJOT-CVEARBPZSA-N 1 1 352.456 3.090 20 5 FGBDMO COc1cc(C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C2CC2)ccc1O ZINC000089975231 494418672 /nfs/dbraw/zinc/41/86/72/494418672.db2.gz JIXWGNYDJAJEJT-UHFFFAOYSA-N 1 1 358.394 3.352 20 5 FGBDMO C[N@@H+]1CC[C@H](NC(=O)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000089996989 494423199 /nfs/dbraw/zinc/42/31/99/494423199.db2.gz BAJSRQJBBJOODQ-RDJZCZTQSA-N 1 1 359.813 3.423 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000089996989 494423201 /nfs/dbraw/zinc/42/32/01/494423201.db2.gz BAJSRQJBBJOODQ-RDJZCZTQSA-N 1 1 359.813 3.423 20 5 FGBDMO CCc1ccc([C@@H]2C[C@H](C)CC[N@H+]2CCn2cc([N+](=O)[O-])ccc2=O)o1 ZINC000090551289 494481336 /nfs/dbraw/zinc/48/13/36/494481336.db2.gz PMPWDXTYUKTJST-PBHICJAKSA-N 1 1 359.426 3.385 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000020936007 494484211 /nfs/dbraw/zinc/48/42/11/494484211.db2.gz SLUBAIKBUCRQLW-INIZCTEOSA-N 1 1 373.409 3.153 20 5 FGBDMO COc1cc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000046092872 494493803 /nfs/dbraw/zinc/49/38/03/494493803.db2.gz ABBSYVMTXNLTCH-NSHDSACASA-N 1 1 372.368 3.206 20 5 FGBDMO Cc1c(NC(=O)N2CC[NH+](CCc3cccs3)CC2)cccc1[N+](=O)[O-] ZINC000056530681 494521185 /nfs/dbraw/zinc/52/11/85/494521185.db2.gz IRKSKAXSCJVDSO-UHFFFAOYSA-N 1 1 374.466 3.357 20 5 FGBDMO Cc1c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cccc1[N+](=O)[O-] ZINC000574233598 505726171 /nfs/dbraw/zinc/72/61/71/505726171.db2.gz ZWHOIUSCGBNUOR-MAUKXSAKSA-N 1 1 353.422 3.296 20 5 FGBDMO O=C1[C@@H]([N@@H+]2CCCc3sccc3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000067399672 494532166 /nfs/dbraw/zinc/53/21/66/494532166.db2.gz KKJPTMRVQIGGAO-INIZCTEOSA-N 1 1 357.435 3.210 20 5 FGBDMO O=C1[C@@H]([N@H+]2CCCc3sccc3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000067399672 494532168 /nfs/dbraw/zinc/53/21/68/494532168.db2.gz KKJPTMRVQIGGAO-INIZCTEOSA-N 1 1 357.435 3.210 20 5 FGBDMO Cc1ccc(C[NH2+]Cc2ccncc2OC[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000577438463 505727000 /nfs/dbraw/zinc/72/70/00/505727000.db2.gz NXXNQBAMNCGGQJ-INIZCTEOSA-N 1 1 357.410 3.003 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000046751170 494561294 /nfs/dbraw/zinc/56/12/94/494561294.db2.gz ZPZQVYYKKBGWKP-MRXNPFEDSA-N 1 1 362.474 3.391 20 5 FGBDMO COc1ccc(C[N@H+]2CCC[C@@H]2CO)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000092471094 494638470 /nfs/dbraw/zinc/63/84/70/494638470.db2.gz IOGGAKNTKOMJIM-GOSISDBHSA-N 1 1 372.421 3.139 20 5 FGBDMO C[C@H]1C[C@@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000080231149 494645204 /nfs/dbraw/zinc/64/52/04/494645204.db2.gz RBEPGALKTVKBDK-YOEHRIQHSA-N 1 1 368.437 3.159 20 5 FGBDMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)n1 ZINC000091685791 494646701 /nfs/dbraw/zinc/64/67/01/494646701.db2.gz YVSFKSSPIBIXTP-KRWDZBQOSA-N 1 1 368.437 3.457 20 5 FGBDMO CCc1nn(C)c(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000091733444 494660341 /nfs/dbraw/zinc/66/03/41/494660341.db2.gz CLCFYTQYTOELPS-WMLDXEAASA-N 1 1 357.458 3.213 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000067961116 494710902 /nfs/dbraw/zinc/71/09/02/494710902.db2.gz JFJHQADVJNBNLA-GOSISDBHSA-N 1 1 356.426 3.407 20 5 FGBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000080581193 494737836 /nfs/dbraw/zinc/73/78/36/494737836.db2.gz OGMLQZMGKTUTPD-SFHVURJKSA-N 1 1 357.385 3.015 20 5 FGBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000080581193 494737842 /nfs/dbraw/zinc/73/78/42/494737842.db2.gz OGMLQZMGKTUTPD-SFHVURJKSA-N 1 1 357.385 3.015 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@H](Nc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000092757957 494738057 /nfs/dbraw/zinc/73/80/57/494738057.db2.gz AEAHJVWRVAAGMJ-MRXNPFEDSA-N 1 1 357.410 3.298 20 5 FGBDMO C[C@H]1C[C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000131852101 494753619 /nfs/dbraw/zinc/75/36/19/494753619.db2.gz KNGABADATMCPHE-LPHOPBHVSA-N 1 1 367.449 3.164 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000116412084 494777729 /nfs/dbraw/zinc/77/77/29/494777729.db2.gz IUBNWLXTCODFRD-KSSFIOAISA-N 1 1 369.425 3.022 20 5 FGBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000131992778 494794515 /nfs/dbraw/zinc/79/45/15/494794515.db2.gz IVYDZWMJBHKQBM-UHFFFAOYSA-N 1 1 373.428 3.433 20 5 FGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000075684839 494816729 /nfs/dbraw/zinc/81/67/29/494816729.db2.gz QEWAAKDPGAVVAI-ZACQAIPSSA-N 1 1 361.486 3.477 20 5 FGBDMO Cc1ccnc([C@@H]2CC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)c1 ZINC000568644221 505744340 /nfs/dbraw/zinc/74/43/40/505744340.db2.gz BTIBICWGSMMHJX-MRXNPFEDSA-N 1 1 368.437 3.425 20 5 FGBDMO COc1ccc(C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C(C)(C)C)c(OC)c1 ZINC000132223832 494841453 /nfs/dbraw/zinc/84/14/53/494841453.db2.gz CIVPZVLLKQSJPF-UHFFFAOYSA-N 1 1 362.430 3.109 20 5 FGBDMO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000093282667 494860857 /nfs/dbraw/zinc/86/08/57/494860857.db2.gz QMLITTKLWAVXNR-CQSZACIVSA-N 1 1 350.415 3.015 20 5 FGBDMO COc1ccccc1/C=C/C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534466 494898591 /nfs/dbraw/zinc/89/85/91/494898591.db2.gz FXOKABGTQRLWDX-MQDFFIGUSA-N 1 1 354.410 3.198 20 5 FGBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1cccc(F)c1 ZINC000117333682 494911859 /nfs/dbraw/zinc/91/18/59/494911859.db2.gz AZKRTRIKAIYOHX-UHFFFAOYSA-N 1 1 359.357 3.164 20 5 FGBDMO CCC[N@@H+](C)C[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000093753184 494917374 /nfs/dbraw/zinc/91/73/74/494917374.db2.gz CVVNHVWVGKXXNN-ZDUSSCGKSA-N 1 1 357.401 3.360 20 5 FGBDMO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000122385319 494967884 /nfs/dbraw/zinc/96/78/84/494967884.db2.gz WEATXNKXTBZKGH-MRXNPFEDSA-N 1 1 372.469 3.286 20 5 FGBDMO C[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccccc1 ZINC000110348445 494971862 /nfs/dbraw/zinc/97/18/62/494971862.db2.gz FQDUHGKCCWZZJW-OAHLLOKOSA-N 1 1 373.478 3.324 20 5 FGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000122836082 495038403 /nfs/dbraw/zinc/03/84/03/495038403.db2.gz ISCUVVIPXUHSIJ-UMVBOHGHSA-N 1 1 351.472 3.017 20 5 FGBDMO CN(C)c1cccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000118867325 495050091 /nfs/dbraw/zinc/05/00/91/495050091.db2.gz IYEHHVAIXKBPGB-SFHVURJKSA-N 1 1 368.437 3.436 20 5 FGBDMO CN(C)c1cccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000118867325 495050094 /nfs/dbraw/zinc/05/00/94/495050094.db2.gz IYEHHVAIXKBPGB-SFHVURJKSA-N 1 1 368.437 3.436 20 5 FGBDMO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000118941900 495053846 /nfs/dbraw/zinc/05/38/46/495053846.db2.gz PBBHHHGWADXBIP-ZDUSSCGKSA-N 1 1 353.850 3.232 20 5 FGBDMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000118941900 495053849 /nfs/dbraw/zinc/05/38/49/495053849.db2.gz PBBHHHGWADXBIP-ZDUSSCGKSA-N 1 1 353.850 3.232 20 5 FGBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000134048113 495098808 /nfs/dbraw/zinc/09/88/08/495098808.db2.gz NQAJHNGPKWTCJX-GFCCVEGCSA-N 1 1 373.375 3.321 20 5 FGBDMO C[C@@H]1C[C@@H](N(C)C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000123360697 495120009 /nfs/dbraw/zinc/12/00/09/495120009.db2.gz BOSKJCPGSNWIOW-FROLJDDGSA-N 1 1 351.834 3.203 20 5 FGBDMO C[C@@H]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000134441194 495149874 /nfs/dbraw/zinc/14/98/74/495149874.db2.gz WYHZNWSXVOQNLF-OAHLLOKOSA-N 1 1 371.412 3.471 20 5 FGBDMO CC(C)[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CCCCC1 ZINC000102768757 495160382 /nfs/dbraw/zinc/16/03/82/495160382.db2.gz DQYVDLTYTFHCSV-UHFFFAOYSA-N 1 1 363.414 3.305 20 5 FGBDMO CS[C@@H]1CCCC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000134544404 495166292 /nfs/dbraw/zinc/16/62/92/495166292.db2.gz CCUFBEGXOTXDIA-GFCCVEGCSA-N 1 1 357.863 3.404 20 5 FGBDMO CS[C@@H]1CCCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000134544404 495166294 /nfs/dbraw/zinc/16/62/94/495166294.db2.gz CCUFBEGXOTXDIA-GFCCVEGCSA-N 1 1 357.863 3.404 20 5 FGBDMO Cc1c(NC(=O)CCN2CCC([N@@H+]3CCC[C@@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000134691238 495187965 /nfs/dbraw/zinc/18/79/65/495187965.db2.gz KNTBEVIROIKETK-HNNXBMFYSA-N 1 1 374.485 3.181 20 5 FGBDMO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000103132283 495196243 /nfs/dbraw/zinc/19/62/43/495196243.db2.gz NHXWVVAVYIREQA-INIZCTEOSA-N 1 1 371.412 3.028 20 5 FGBDMO CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000124094782 495233075 /nfs/dbraw/zinc/23/30/75/495233075.db2.gz VCVSDPBQEAAIOM-HNNXBMFYSA-N 1 1 357.410 3.345 20 5 FGBDMO O=C(CC[N@@H+](Cc1ccncc1)C1CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000129500480 495254262 /nfs/dbraw/zinc/25/42/62/495254262.db2.gz ACBNXPDADOIAOJ-UHFFFAOYSA-N 1 1 358.373 3.122 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000119889513 495262646 /nfs/dbraw/zinc/26/26/46/495262646.db2.gz NPBUCBKLFISCEG-AWEZNQCLSA-N 1 1 358.442 3.461 20 5 FGBDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000129606526 495269695 /nfs/dbraw/zinc/26/96/95/495269695.db2.gz DYSSUOLBGUOAEK-UHFFFAOYSA-N 1 1 369.377 3.343 20 5 FGBDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000129606526 495269699 /nfs/dbraw/zinc/26/96/99/495269699.db2.gz DYSSUOLBGUOAEK-UHFFFAOYSA-N 1 1 369.377 3.343 20 5 FGBDMO COc1ccccc1CC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000104710791 495298888 /nfs/dbraw/zinc/29/88/88/495298888.db2.gz UNOQCSKILAHOHI-CQSZACIVSA-N 1 1 357.410 3.105 20 5 FGBDMO COc1ccccc1CC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000104710791 495298889 /nfs/dbraw/zinc/29/88/89/495298889.db2.gz UNOQCSKILAHOHI-CQSZACIVSA-N 1 1 357.410 3.105 20 5 FGBDMO CCOc1ccnc(N2CCC[N@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000135785588 495333907 /nfs/dbraw/zinc/33/39/07/495333907.db2.gz GVAWDGXTQNBCPQ-HNNXBMFYSA-N 1 1 371.441 3.057 20 5 FGBDMO O=[N+]([O-])c1cnn(CC[N@H+](Cc2csc(Br)c2)C2CC2)c1 ZINC000125177657 495401860 /nfs/dbraw/zinc/40/18/60/495401860.db2.gz KBPANFUAGVDCJY-UHFFFAOYSA-N 1 1 371.260 3.280 20 5 FGBDMO O=[N+]([O-])c1cnn(CC[N@@H+](Cc2csc(Br)c2)C2CC2)c1 ZINC000125177657 495401862 /nfs/dbraw/zinc/40/18/62/495401862.db2.gz KBPANFUAGVDCJY-UHFFFAOYSA-N 1 1 371.260 3.280 20 5 FGBDMO O=C(c1ccc(F)cc1)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000137474391 495442424 /nfs/dbraw/zinc/44/24/24/495442424.db2.gz DUGSMGWTWQMQNE-UHFFFAOYSA-N 1 1 357.385 3.082 20 5 FGBDMO O=C(c1ccc(F)cc1)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000137474391 495442430 /nfs/dbraw/zinc/44/24/30/495442430.db2.gz DUGSMGWTWQMQNE-UHFFFAOYSA-N 1 1 357.385 3.082 20 5 FGBDMO O=[N+]([O-])c1cccc(C[N@H+](Cc2cnc(N3CCOCC3)s2)C2CC2)c1 ZINC000154278239 495566078 /nfs/dbraw/zinc/56/60/78/495566078.db2.gz YBDFFSLYVNDCEH-UHFFFAOYSA-N 1 1 374.466 3.053 20 5 FGBDMO O=[N+]([O-])c1cccc(C[N@@H+](Cc2cnc(N3CCOCC3)s2)C2CC2)c1 ZINC000154278239 495566088 /nfs/dbraw/zinc/56/60/88/495566088.db2.gz YBDFFSLYVNDCEH-UHFFFAOYSA-N 1 1 374.466 3.053 20 5 FGBDMO C[C@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000173528792 495574845 /nfs/dbraw/zinc/57/48/45/495574845.db2.gz VCQDWGLZLPHDGS-KRWDZBQOSA-N 1 1 367.449 3.260 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCCOCc3ccccc3)C2)nc1 ZINC000182524671 495598373 /nfs/dbraw/zinc/59/83/73/495598373.db2.gz GKDHTOGFXZXXJB-KRWDZBQOSA-N 1 1 356.426 3.083 20 5 FGBDMO Cc1[nH+]ccn1CCCCNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176320094 495598886 /nfs/dbraw/zinc/59/88/86/495598886.db2.gz QGWGLBKZZJXZHP-AWEZNQCLSA-N 1 1 359.430 3.249 20 5 FGBDMO COCCCN1CCC([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000159058899 495647353 /nfs/dbraw/zinc/64/73/53/495647353.db2.gz GMLILVPGVWCKID-LJQANCHMSA-N 1 1 361.486 3.006 20 5 FGBDMO CCCO[C@H]1CCC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000173718322 495661377 /nfs/dbraw/zinc/66/13/77/495661377.db2.gz HCYGKYTZPPVLQK-HNNXBMFYSA-N 1 1 352.431 3.263 20 5 FGBDMO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185753396 495711504 /nfs/dbraw/zinc/71/15/04/495711504.db2.gz OHSXWSSOSJCBMY-HZPDHXFCSA-N 1 1 374.485 3.166 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])cc1F ZINC000154828343 495740236 /nfs/dbraw/zinc/74/02/36/495740236.db2.gz YCXIQKGTRDLUML-UHFFFAOYSA-N 1 1 372.331 3.297 20 5 FGBDMO CC(=O)N1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000179810780 495743530 /nfs/dbraw/zinc/74/35/30/495743530.db2.gz IMPFFCDFCVYEQR-UHFFFAOYSA-N 1 1 359.451 3.378 20 5 FGBDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000159536620 495754730 /nfs/dbraw/zinc/75/47/30/495754730.db2.gz AFAQRPWBAJERNF-TZMCWYRMSA-N 1 1 359.451 3.409 20 5 FGBDMO COc1ccc(F)cc1[C@H](C)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000179944351 495795505 /nfs/dbraw/zinc/79/55/05/495795505.db2.gz LSBROEMRNCNCQQ-LBPRGKRZSA-N 1 1 361.373 3.056 20 5 FGBDMO CC(C)[N@@H+](CCc1nccs1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000159914544 495839774 /nfs/dbraw/zinc/83/97/74/495839774.db2.gz CFUIXOQIKOQCRV-UHFFFAOYSA-N 1 1 363.439 3.371 20 5 FGBDMO CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@H]1COc2ccccc2O1 ZINC000176985850 495870688 /nfs/dbraw/zinc/87/06/88/495870688.db2.gz XGNZWTCOOTYLAK-AWEZNQCLSA-N 1 1 369.377 3.398 20 5 FGBDMO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@H]1COc2ccccc2O1 ZINC000176985850 495870693 /nfs/dbraw/zinc/87/06/93/495870693.db2.gz XGNZWTCOOTYLAK-AWEZNQCLSA-N 1 1 369.377 3.398 20 5 FGBDMO COc1cc(CN2CC[N@H+](C)C[C@H]2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000155201620 495874403 /nfs/dbraw/zinc/87/44/03/495874403.db2.gz QTBSYTVJFCGAMZ-SFHVURJKSA-N 1 1 371.437 3.101 20 5 FGBDMO COc1cc(CN2CC[N@@H+](C)C[C@H]2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000155201620 495874404 /nfs/dbraw/zinc/87/44/04/495874404.db2.gz QTBSYTVJFCGAMZ-SFHVURJKSA-N 1 1 371.437 3.101 20 5 FGBDMO C[N@@H+](CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)Cc1ccc(F)cc1 ZINC000177065344 495908795 /nfs/dbraw/zinc/90/87/95/495908795.db2.gz OERCVPFUZWRAPE-UHFFFAOYSA-N 1 1 370.384 3.077 20 5 FGBDMO CCC[N@H+]1CCCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000160373834 495948431 /nfs/dbraw/zinc/94/84/31/495948431.db2.gz KGNREGWUNVVUOK-UHFFFAOYSA-N 1 1 374.466 3.276 20 5 FGBDMO CCc1cnc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)s1 ZINC000174625995 496037375 /nfs/dbraw/zinc/03/73/75/496037375.db2.gz ONGYTZFWUWFSJT-UHFFFAOYSA-N 1 1 357.439 3.304 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(SC)c2[N+](=O)[O-])[C@H](C)C1 ZINC000186571010 496050447 /nfs/dbraw/zinc/05/04/47/496050447.db2.gz PGMQVYLXLYGCOE-OCCSQVGLSA-N 1 1 351.472 3.119 20 5 FGBDMO CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000571826174 505822539 /nfs/dbraw/zinc/82/25/39/505822539.db2.gz KFLYCFVYYVLWGZ-INIZCTEOSA-N 1 1 363.458 3.263 20 5 FGBDMO C[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC000171968155 496112566 /nfs/dbraw/zinc/11/25/66/496112566.db2.gz XJHGPUYRBFKRIW-AWEZNQCLSA-N 1 1 371.462 3.428 20 5 FGBDMO CCOCCO[C@H]1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000180789578 496146942 /nfs/dbraw/zinc/14/69/42/496146942.db2.gz USCFQQAWXGZTIZ-KRWDZBQOSA-N 1 1 360.410 3.482 20 5 FGBDMO O=C1C[C@@H]([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000180927926 496203140 /nfs/dbraw/zinc/20/31/40/496203140.db2.gz LVDINVKGZWLNLA-UZLBHIALSA-N 1 1 351.406 3.037 20 5 FGBDMO Cc1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000156387925 496231837 /nfs/dbraw/zinc/23/18/37/496231837.db2.gz KCFAERHSEYDLHQ-PBHICJAKSA-N 1 1 358.442 3.384 20 5 FGBDMO CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000161940130 496266629 /nfs/dbraw/zinc/26/66/29/496266629.db2.gz PMGOJMUECNJFBY-AWEZNQCLSA-N 1 1 350.415 3.159 20 5 FGBDMO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC2 ZINC000152863976 496279375 /nfs/dbraw/zinc/27/93/75/496279375.db2.gz TXEFFNZVVKNEAD-HOTGVXAUSA-N 1 1 354.834 3.000 20 5 FGBDMO CCOc1cc(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000181144352 496286327 /nfs/dbraw/zinc/28/63/27/496286327.db2.gz NDPPAABGALEIQF-SFHVURJKSA-N 1 1 371.437 3.172 20 5 FGBDMO CCOc1ccc(C(=O)N2CCC[N@H+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000172417325 496289338 /nfs/dbraw/zinc/28/93/38/496289338.db2.gz HVSONRYKKOAFSI-UHFFFAOYSA-N 1 1 361.442 3.084 20 5 FGBDMO CC[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C)C1CC1 ZINC000181169401 496296141 /nfs/dbraw/zinc/29/61/41/496296141.db2.gz MKZOWULVEXEAAE-UHFFFAOYSA-N 1 1 351.472 3.309 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000152973390 496311949 /nfs/dbraw/zinc/31/19/49/496311949.db2.gz GLFUEYHTFBBQHX-KRWDZBQOSA-N 1 1 361.442 3.265 20 5 FGBDMO COc1cccc([N+](=O)[O-])c1NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000574704710 505837144 /nfs/dbraw/zinc/83/71/44/505837144.db2.gz ZWYWWUNLKGLRIE-UHFFFAOYSA-N 1 1 357.414 3.091 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000162652639 496390046 /nfs/dbraw/zinc/39/00/46/496390046.db2.gz FZZUAOXIOIYFOG-UHFFFAOYSA-N 1 1 357.414 3.123 20 5 FGBDMO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000184476909 496400953 /nfs/dbraw/zinc/40/09/53/496400953.db2.gz BTVKTOFJPCMCRN-CYBMUJFWSA-N 1 1 361.398 3.290 20 5 FGBDMO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000184476909 496400957 /nfs/dbraw/zinc/40/09/57/496400957.db2.gz BTVKTOFJPCMCRN-CYBMUJFWSA-N 1 1 361.398 3.290 20 5 FGBDMO O=C1CCc2cc([N+](=O)[O-])c(N[C@H]3CC[N@@H+](CC4CCCC4)C3)cc2N1 ZINC000172784843 496430149 /nfs/dbraw/zinc/43/01/49/496430149.db2.gz OOPYWLQNJCRUGR-HNNXBMFYSA-N 1 1 358.442 3.156 20 5 FGBDMO CC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](C)c1cccc(OC)c1 ZINC000181570364 496451255 /nfs/dbraw/zinc/45/12/55/496451255.db2.gz YTUVXZQRRWECIH-RDJZCZTQSA-N 1 1 374.437 3.426 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000178426595 496452783 /nfs/dbraw/zinc/45/27/83/496452783.db2.gz WBBURIJVJSJZNQ-SUMWQHHRSA-N 1 1 374.441 3.084 20 5 FGBDMO Cc1csc([C@@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000181596076 496462325 /nfs/dbraw/zinc/46/23/25/496462325.db2.gz IOYMSTZFKOCLLL-NHYWBVRUSA-N 1 1 360.439 3.428 20 5 FGBDMO CC(C)[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000181634499 496479211 /nfs/dbraw/zinc/47/92/11/496479211.db2.gz LKJADJFAGYFXKI-QGZVFWFLSA-N 1 1 363.364 3.459 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCO[C@]4(CCOC4)C3)s2)cc1 ZINC000187535274 496481549 /nfs/dbraw/zinc/48/15/49/496481549.db2.gz FZZGKGWZKYDUAR-GOSISDBHSA-N 1 1 360.435 3.315 20 5 FGBDMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000153540948 496490630 /nfs/dbraw/zinc/49/06/30/496490630.db2.gz PMRXTSIAUNISRU-LWYRZFPHSA-N 1 1 355.438 3.083 20 5 FGBDMO COc1ccccc1[C@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000157866465 496573206 /nfs/dbraw/zinc/57/32/06/496573206.db2.gz JCZGKNXBKSFVQD-HNNXBMFYSA-N 1 1 369.421 3.056 20 5 FGBDMO COc1ccccc1[C@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000157866465 496573210 /nfs/dbraw/zinc/57/32/10/496573210.db2.gz JCZGKNXBKSFVQD-HNNXBMFYSA-N 1 1 369.421 3.056 20 5 FGBDMO Cc1ccc(N2CCC(NC(=O)c3cc(C)ccc3[N+](=O)[O-])CC2)[nH+]c1 ZINC000173210175 496594143 /nfs/dbraw/zinc/59/41/43/496594143.db2.gz YDJGYNCDACVTDS-UHFFFAOYSA-N 1 1 354.410 3.005 20 5 FGBDMO COc1ccc(NC(=O)CC[N@H+]2CCc3cccc(F)c3C2)c([N+](=O)[O-])c1 ZINC000158009113 496607708 /nfs/dbraw/zinc/60/77/08/496607708.db2.gz OGUVGJJNMSOBMX-UHFFFAOYSA-N 1 1 373.384 3.129 20 5 FGBDMO CCc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](CC)CC3)cc1[N+](=O)[O-] ZINC000173253625 496613056 /nfs/dbraw/zinc/61/30/56/496613056.db2.gz LAWZQPSBJDPMCS-UHFFFAOYSA-N 1 1 360.439 3.244 20 5 FGBDMO CCc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](CC)CC3)cc1[N+](=O)[O-] ZINC000173253625 496613060 /nfs/dbraw/zinc/61/30/60/496613060.db2.gz LAWZQPSBJDPMCS-UHFFFAOYSA-N 1 1 360.439 3.244 20 5 FGBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000153904639 496618921 /nfs/dbraw/zinc/61/89/21/496618921.db2.gz BSGWDKJKQBXIIR-MRXNPFEDSA-N 1 1 368.393 3.125 20 5 FGBDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181978831 496621384 /nfs/dbraw/zinc/62/13/84/496621384.db2.gz GRVWVEUANGRWSU-BEFAXECRSA-N 1 1 374.462 3.247 20 5 FGBDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181978831 496621388 /nfs/dbraw/zinc/62/13/88/496621388.db2.gz GRVWVEUANGRWSU-BEFAXECRSA-N 1 1 374.462 3.247 20 5 FGBDMO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1nc(-c2cccc(F)c2)no1 ZINC000185103567 496662293 /nfs/dbraw/zinc/66/22/93/496662293.db2.gz CMJHTEXHFGEGEQ-BZNIZROVSA-N 1 1 372.356 3.168 20 5 FGBDMO CC(=O)N1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(C)(C)C1 ZINC000182085999 496664620 /nfs/dbraw/zinc/66/46/20/496664620.db2.gz DPAPUQOJVGTTFN-UHFFFAOYSA-N 1 1 357.410 3.298 20 5 FGBDMO CC(=O)N1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(C)(C)C1 ZINC000182085999 496664623 /nfs/dbraw/zinc/66/46/23/496664623.db2.gz DPAPUQOJVGTTFN-UHFFFAOYSA-N 1 1 357.410 3.298 20 5 FGBDMO CSc1cccc(C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000188057095 496666661 /nfs/dbraw/zinc/66/66/61/496666661.db2.gz HCTBZGSMDHHKGK-OLZOCXBDSA-N 1 1 351.472 3.167 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000176139557 496699700 /nfs/dbraw/zinc/69/97/00/496699700.db2.gz VPZAQJWWROYMSI-JKSUJKDBSA-N 1 1 362.474 3.384 20 5 FGBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cccc(SC)c2[N+](=O)[O-])C1 ZINC000188179775 496710168 /nfs/dbraw/zinc/71/01/68/496710168.db2.gz KUGCWJSTRLPUOA-CYBMUJFWSA-N 1 1 351.472 3.121 20 5 FGBDMO CCNC(=O)[C@@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000263818904 496734522 /nfs/dbraw/zinc/73/45/22/496734522.db2.gz PNBPWFFUBZOZPM-SNVBAGLBSA-N 1 1 351.790 3.122 20 5 FGBDMO C[S@@](=O)C[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000273263112 496756448 /nfs/dbraw/zinc/75/64/48/496756448.db2.gz ITKVEKIVEUYDFN-IQMFZBJNSA-N 1 1 352.843 3.458 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000247345415 496840680 /nfs/dbraw/zinc/84/06/80/496840680.db2.gz XTPWFLIDXDZFME-BHYGNILZSA-N 1 1 360.458 3.090 20 5 FGBDMO C[N@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccs1 ZINC000247384292 496848266 /nfs/dbraw/zinc/84/82/66/496848266.db2.gz LQVCAHGGMJTYSB-PBHICJAKSA-N 1 1 359.451 3.469 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000247673549 496904426 /nfs/dbraw/zinc/90/44/26/496904426.db2.gz RCEADRFZMLARSF-QAPCUYQASA-N 1 1 371.441 3.011 20 5 FGBDMO COC(=O)C[C@](C)([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccncc1 ZINC000191906762 496927481 /nfs/dbraw/zinc/92/74/81/496927481.db2.gz FOOXUYCAVZHEHC-KRWDZBQOSA-N 1 1 363.801 3.211 20 5 FGBDMO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000269460027 496951763 /nfs/dbraw/zinc/95/17/63/496951763.db2.gz WRMFDTFGHDAKIM-GUYCJALGSA-N 1 1 369.421 3.430 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000248136144 496960175 /nfs/dbraw/zinc/96/01/75/496960175.db2.gz XNABIERZAJDODG-NVXWUHKLSA-N 1 1 359.813 3.423 20 5 FGBDMO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000195694084 496960839 /nfs/dbraw/zinc/96/08/39/496960839.db2.gz LNMZTYOCUIWZCI-GOSISDBHSA-N 1 1 353.422 3.298 20 5 FGBDMO Cc1ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000248144032 496962741 /nfs/dbraw/zinc/96/27/41/496962741.db2.gz ZCLSJXCRYIDHBI-WMZOPIPTSA-N 1 1 354.410 3.470 20 5 FGBDMO COCCOc1ncccc1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278228966 497044300 /nfs/dbraw/zinc/04/43/00/497044300.db2.gz JZWMDOYHDVXDCI-SFHVURJKSA-N 1 1 357.410 3.182 20 5 FGBDMO O=[N+]([O-])c1cc(CNC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cs1 ZINC000192354675 497086373 /nfs/dbraw/zinc/08/63/73/497086373.db2.gz OHDUNAOQRHXLLE-QGZVFWFLSA-N 1 1 361.467 3.037 20 5 FGBDMO Cc1ccc(CNC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000192357222 497087857 /nfs/dbraw/zinc/08/78/57/497087857.db2.gz XXVHZBDQKXNNSU-FQEVSTJZSA-N 1 1 369.465 3.284 20 5 FGBDMO Cc1ccc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000192357222 497087862 /nfs/dbraw/zinc/08/78/62/497087862.db2.gz XXVHZBDQKXNNSU-FQEVSTJZSA-N 1 1 369.465 3.284 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](OC)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000189342833 497088336 /nfs/dbraw/zinc/08/83/36/497088336.db2.gz RQLWETMLLYIIQI-ZBEGNZNMSA-N 1 1 374.384 3.104 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@H](C)[C@@H](OC)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000189342833 497088338 /nfs/dbraw/zinc/08/83/38/497088338.db2.gz RQLWETMLLYIIQI-ZBEGNZNMSA-N 1 1 374.384 3.104 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000248720262 497088453 /nfs/dbraw/zinc/08/84/53/497088453.db2.gz CFKCQBFYHJLYLN-BEFAXECRSA-N 1 1 353.422 3.154 20 5 FGBDMO O=C(C[NH2+]Cc1ccccc1[N+](=O)[O-])Nc1cccc(Br)c1 ZINC000236634532 497124477 /nfs/dbraw/zinc/12/44/77/497124477.db2.gz BZNWVBLQGNQRFV-UHFFFAOYSA-N 1 1 364.199 3.086 20 5 FGBDMO CC(C)NC(=O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000236643591 497126277 /nfs/dbraw/zinc/12/62/77/497126277.db2.gz IRLIMLUCCPRBBS-UHFFFAOYSA-N 1 1 351.790 3.122 20 5 FGBDMO C[N@H+]1CC[C@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)[C@@H]2C1 ZINC000274577999 497127108 /nfs/dbraw/zinc/12/71/08/497127108.db2.gz HBYYMBDGYFRXKP-IINYFYTJSA-N 1 1 372.347 3.172 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)c1 ZINC000278515761 497139690 /nfs/dbraw/zinc/13/96/90/497139690.db2.gz FOEKBBQFKWVTPV-UHFFFAOYSA-N 1 1 355.394 3.290 20 5 FGBDMO CC[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H](O)C(F)(F)F ZINC000189545853 497157388 /nfs/dbraw/zinc/15/73/88/497157388.db2.gz FHFOMGPFHHJWGY-AWEZNQCLSA-N 1 1 373.331 3.037 20 5 FGBDMO CCn1nc(C)c([N+](=O)[O-])c1N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192637580 497172006 /nfs/dbraw/zinc/17/20/06/497172006.db2.gz VNJVNOQEJZYWDL-QGZVFWFLSA-N 1 1 357.458 3.078 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000270689507 497179646 /nfs/dbraw/zinc/17/96/46/497179646.db2.gz SZSYQWARQCMSKH-CVEARBPZSA-N 1 1 359.813 3.423 20 5 FGBDMO COC1(C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000274965273 497208147 /nfs/dbraw/zinc/20/81/47/497208147.db2.gz VDZXQFLPRWKJJA-KRWDZBQOSA-N 1 1 358.442 3.357 20 5 FGBDMO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)CCC2 ZINC000192880757 497236161 /nfs/dbraw/zinc/23/61/61/497236161.db2.gz MPRDQOHPHNGLIP-YWZLYKJASA-N 1 1 359.470 3.063 20 5 FGBDMO COc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc([N+](=O)[O-])c1C ZINC000189821352 497256109 /nfs/dbraw/zinc/25/61/09/497256109.db2.gz YLEHGZUVHKRHIZ-QFBILLFUSA-N 1 1 369.421 3.087 20 5 FGBDMO O=[N+]([O-])c1ccc2c(c1NC[C@H]1CC[N@@H+](Cc3ccccc3)C1)CCN2 ZINC000192956530 497259659 /nfs/dbraw/zinc/25/96/59/497259659.db2.gz ONDSZVIRGYZMJY-MRXNPFEDSA-N 1 1 352.438 3.497 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCCc3ccc4c(c3)CCO4)C2)nc1 ZINC000193252442 497334482 /nfs/dbraw/zinc/33/44/82/497334482.db2.gz OWQKEIYBYDKRNY-QGZVFWFLSA-N 1 1 368.437 3.044 20 5 FGBDMO O=[N+]([O-])c1ccccc1/C=C\CN1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000255688480 497373627 /nfs/dbraw/zinc/37/36/27/497373627.db2.gz UTAONOLIBCEKGG-DAXSKMNVSA-N 1 1 353.422 3.131 20 5 FGBDMO O=C1C[C@]2(CC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C2)CN1 ZINC000279335750 497410785 /nfs/dbraw/zinc/41/07/85/497410785.db2.gz DOAOPQZQLFAXEF-GOSISDBHSA-N 1 1 357.435 3.035 20 5 FGBDMO COc1ccccc1[C@H](C)NC(=O)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271671899 497415650 /nfs/dbraw/zinc/41/56/50/497415650.db2.gz BBZBMRTYYJMPRU-KGLIPLIRSA-N 1 1 357.410 3.131 20 5 FGBDMO CCOCc1ccccc1CNC(=O)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271727413 497429858 /nfs/dbraw/zinc/42/98/58/497429858.db2.gz MHSMDHLBHDPWDX-OAHLLOKOSA-N 1 1 371.437 3.098 20 5 FGBDMO C[C@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](C2CC2)O1 ZINC000279424273 497436302 /nfs/dbraw/zinc/43/63/02/497436302.db2.gz XGCGWEZJMYKGLX-SCLBCKFNSA-N 1 1 357.410 3.292 20 5 FGBDMO COc1cccc2c1CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000193716301 497457089 /nfs/dbraw/zinc/45/70/89/497457089.db2.gz IJCZWSDUMWPMAG-UHFFFAOYSA-N 1 1 369.421 3.033 20 5 FGBDMO C[N@@H+]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1 ZINC000245599244 497469956 /nfs/dbraw/zinc/46/99/56/497469956.db2.gz UHKHFMYDTGIWFF-PKOBYXMFSA-N 1 1 373.840 3.352 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1 ZINC000245599244 497469957 /nfs/dbraw/zinc/46/99/57/497469957.db2.gz UHKHFMYDTGIWFF-PKOBYXMFSA-N 1 1 373.840 3.352 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000262103219 497509396 /nfs/dbraw/zinc/50/93/96/497509396.db2.gz ZLDRVVAGFONARH-KRWDZBQOSA-N 1 1 359.813 3.343 20 5 FGBDMO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000280115373 497653562 /nfs/dbraw/zinc/65/35/62/497653562.db2.gz NWJPRIUMOCOUQP-LLVKDONJSA-N 1 1 354.453 3.301 20 5 FGBDMO Cc1nc(C)c([C@@H](C)[N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000246283742 497683649 /nfs/dbraw/zinc/68/36/49/497683649.db2.gz AVADKVRZHKKTTO-IUODEOHRSA-N 1 1 365.455 3.101 20 5 FGBDMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000194626227 497723459 /nfs/dbraw/zinc/72/34/59/497723459.db2.gz XOZVUEHHXNZFIF-HNNXBMFYSA-N 1 1 365.336 3.033 20 5 FGBDMO C[C@@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272761034 497724263 /nfs/dbraw/zinc/72/42/63/497724263.db2.gz OSKMSALQUNFYQM-NVXWUHKLSA-N 1 1 374.485 3.090 20 5 FGBDMO COC(=O)COc1ccccc1[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000273148347 497803682 /nfs/dbraw/zinc/80/36/82/497803682.db2.gz HBEWBMWOPMSLJK-CYBMUJFWSA-N 1 1 374.393 3.006 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000334005892 497844796 /nfs/dbraw/zinc/84/47/96/497844796.db2.gz QSMCSZQSFSFMTR-MJBXVCDLSA-N 1 1 365.499 3.413 20 5 FGBDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000288759803 497891874 /nfs/dbraw/zinc/89/18/74/497891874.db2.gz IODMYVDCQMCQDO-UHFFFAOYSA-N 1 1 367.352 3.060 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@H](n3cncn3)C2)s1 ZINC000364511423 497993671 /nfs/dbraw/zinc/99/36/71/497993671.db2.gz QESVLOUGLFFOOH-ZDUSSCGKSA-N 1 1 355.423 3.362 20 5 FGBDMO COc1cccc([C@H](C)[NH+]2CCN(c3nccc(C)c3[N+](=O)[O-])CC2)c1 ZINC000301264850 498028449 /nfs/dbraw/zinc/02/84/49/498028449.db2.gz GGDIJBLOCLLFOA-HNNXBMFYSA-N 1 1 356.426 3.190 20 5 FGBDMO CCN1CC[NH+](Cc2ccc(CNc3nccc(C)c3[N+](=O)[O-])cc2)CC1 ZINC000301303037 498047322 /nfs/dbraw/zinc/04/73/22/498047322.db2.gz SEBDGMJUWLECRQ-UHFFFAOYSA-N 1 1 369.469 3.048 20 5 FGBDMO COc1ccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c(C)c1OC ZINC000572444332 505969843 /nfs/dbraw/zinc/96/98/43/505969843.db2.gz QWXZJJSHXKZXEX-UHFFFAOYSA-N 1 1 371.437 3.243 20 5 FGBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000301306419 498049285 /nfs/dbraw/zinc/04/92/85/498049285.db2.gz YPJFWKGFYAVLEW-UONOGXRCSA-N 1 1 363.487 3.395 20 5 FGBDMO Cc1cc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000292757561 498135913 /nfs/dbraw/zinc/13/59/13/498135913.db2.gz VZQZLPMKOOIZPY-UHFFFAOYSA-N 1 1 364.465 3.037 20 5 FGBDMO Cc1noc([C@H]2CCCC[N@@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1 ZINC000285618830 498150354 /nfs/dbraw/zinc/15/03/54/498150354.db2.gz KPJKFCGMTPKCEH-MRXNPFEDSA-N 1 1 373.413 3.150 20 5 FGBDMO Cc1noc([C@H]2CCCC[N@H+]2CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1 ZINC000285618830 498150360 /nfs/dbraw/zinc/15/03/60/498150360.db2.gz KPJKFCGMTPKCEH-MRXNPFEDSA-N 1 1 373.413 3.150 20 5 FGBDMO COc1cc(NCC2([NH+]3CCOCC3)CCCCC2)c([N+](=O)[O-])cc1F ZINC000301630615 498197542 /nfs/dbraw/zinc/19/75/42/498197542.db2.gz SOTONSOLZBSBIQ-UHFFFAOYSA-N 1 1 367.421 3.190 20 5 FGBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293031560 498242546 /nfs/dbraw/zinc/24/25/46/498242546.db2.gz AAJOPMJQMPWJOG-LLVKDONJSA-N 1 1 359.348 3.027 20 5 FGBDMO Cc1nn(C)c(N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000301732042 498243193 /nfs/dbraw/zinc/24/31/93/498243193.db2.gz YEFKUNBQVDWHBW-ZWKOTPCHSA-N 1 1 369.469 3.128 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)c(F)c1 ZINC000301742829 498247931 /nfs/dbraw/zinc/24/79/31/498247931.db2.gz YWSSXXXFKIPAMF-DNVCBOLYSA-N 1 1 359.401 3.029 20 5 FGBDMO Cc1cc([C@H]2CCCN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)[nH]n1 ZINC000360402795 498272433 /nfs/dbraw/zinc/27/24/33/498272433.db2.gz URSHIJRKJVDCEU-AWEZNQCLSA-N 1 1 368.397 3.056 20 5 FGBDMO Cc1cc([C@H]2CCC[N@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)n[nH]1 ZINC000360402795 498272439 /nfs/dbraw/zinc/27/24/39/498272439.db2.gz URSHIJRKJVDCEU-AWEZNQCLSA-N 1 1 368.397 3.056 20 5 FGBDMO Cc1cc([C@H]2CCC[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)n[nH]1 ZINC000360402795 498272444 /nfs/dbraw/zinc/27/24/44/498272444.db2.gz URSHIJRKJVDCEU-AWEZNQCLSA-N 1 1 368.397 3.056 20 5 FGBDMO Cc1cc([C@H]2CCC[N@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)[nH]n1 ZINC000360402795 498272448 /nfs/dbraw/zinc/27/24/48/498272448.db2.gz URSHIJRKJVDCEU-AWEZNQCLSA-N 1 1 368.397 3.056 20 5 FGBDMO Cc1cc([C@H]2CCC[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)[nH]n1 ZINC000360402795 498272452 /nfs/dbraw/zinc/27/24/52/498272452.db2.gz URSHIJRKJVDCEU-AWEZNQCLSA-N 1 1 368.397 3.056 20 5 FGBDMO Cc1[nH+]c(CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)c2n1CCCC2 ZINC000365072661 498284493 /nfs/dbraw/zinc/28/44/93/498284493.db2.gz QDFJMEKRRNYICH-UHFFFAOYSA-N 1 1 357.414 3.375 20 5 FGBDMO COc1cc(NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000301862036 498300503 /nfs/dbraw/zinc/30/05/03/498300503.db2.gz LGXCJOQKZZDPRR-TXEJJXNPSA-N 1 1 355.410 3.042 20 5 FGBDMO COc1cc(NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000301862036 498300508 /nfs/dbraw/zinc/30/05/08/498300508.db2.gz LGXCJOQKZZDPRR-TXEJJXNPSA-N 1 1 355.410 3.042 20 5 FGBDMO C[C@@H](O)c1ncc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)s1 ZINC000289853152 498323568 /nfs/dbraw/zinc/32/35/68/498323568.db2.gz VMARMCASPYYMJQ-MRVPVSSYSA-N 1 1 361.345 3.413 20 5 FGBDMO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC(CO)(c4ccccc4)CC3)nc2c1 ZINC000293336400 498351993 /nfs/dbraw/zinc/35/19/93/498351993.db2.gz MWMQKNLIMDOUNE-UHFFFAOYSA-N 1 1 367.405 3.262 20 5 FGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@H](n3cnc4ccccc43)C2)c1 ZINC000361189380 498358307 /nfs/dbraw/zinc/35/83/07/498358307.db2.gz HTOBQGLNBGGQBU-PXNSSMCTSA-N 1 1 366.421 3.315 20 5 FGBDMO CC[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000302217006 498447182 /nfs/dbraw/zinc/44/71/82/498447182.db2.gz JYIREYASCQTQMZ-HUUCEWRRSA-N 1 1 365.796 3.425 20 5 FGBDMO CC[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000302217006 498447185 /nfs/dbraw/zinc/44/71/85/498447185.db2.gz JYIREYASCQTQMZ-HUUCEWRRSA-N 1 1 365.796 3.425 20 5 FGBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000286680732 498474232 /nfs/dbraw/zinc/47/42/32/498474232.db2.gz VMGWBIBTZZIOBR-KISNFGTJSA-N 1 1 355.394 3.105 20 5 FGBDMO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4coc(-c5ccc([N+](=O)[O-])cc5)n4)[C@H]1[C@H]3C2 ZINC000286680738 498474708 /nfs/dbraw/zinc/47/47/08/498474708.db2.gz VMGWBIBTZZIOBR-MZDBXJLNSA-N 1 1 355.394 3.105 20 5 FGBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000302551348 498505618 /nfs/dbraw/zinc/50/56/18/498505618.db2.gz WHWBDTJTQSQVTQ-GUTXKFCHSA-N 1 1 353.850 3.326 20 5 FGBDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000302551348 498505623 /nfs/dbraw/zinc/50/56/23/498505623.db2.gz WHWBDTJTQSQVTQ-GUTXKFCHSA-N 1 1 353.850 3.326 20 5 FGBDMO Cc1nc([C@@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)C2)no1 ZINC000362822323 498559916 /nfs/dbraw/zinc/55/99/16/498559916.db2.gz FXXCNHYCLMZAIN-CQSZACIVSA-N 1 1 360.414 3.453 20 5 FGBDMO Cc1nc([C@@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)C2)no1 ZINC000362822323 498559922 /nfs/dbraw/zinc/55/99/22/498559922.db2.gz FXXCNHYCLMZAIN-CQSZACIVSA-N 1 1 360.414 3.453 20 5 FGBDMO COc1cc(NC[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)ccc1[N+](=O)[O-] ZINC000362907908 498576923 /nfs/dbraw/zinc/57/69/23/498576923.db2.gz XXAVFNNJNRQJBB-INIZCTEOSA-N 1 1 356.426 3.323 20 5 FGBDMO Cc1cc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)cc(N2CCCC2)[nH+]1 ZINC000290516680 498583419 /nfs/dbraw/zinc/58/34/19/498583419.db2.gz CAHPGROEQWZWRW-UHFFFAOYSA-N 1 1 373.388 3.359 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000365676436 498593026 /nfs/dbraw/zinc/59/30/26/498593026.db2.gz MWNJQOPFODPFRW-GUYCJALGSA-N 1 1 359.451 3.388 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])s1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000365739051 498619278 /nfs/dbraw/zinc/61/92/78/498619278.db2.gz HUALFRCZYGEWNH-HZPDHXFCSA-N 1 1 371.462 3.250 20 5 FGBDMO O=C(c1csc([N+](=O)[O-])c1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000365744824 498621365 /nfs/dbraw/zinc/62/13/65/498621365.db2.gz AILPXDUDJFXYAZ-WBVHZDCISA-N 1 1 371.462 3.250 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000302903052 498622022 /nfs/dbraw/zinc/62/20/22/498622022.db2.gz UJZOQXJRDJDLOE-SFHVURJKSA-N 1 1 355.438 3.472 20 5 FGBDMO C[C@H](C(=O)N1CCc2ccccc21)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000576054873 506065167 /nfs/dbraw/zinc/06/51/67/506065167.db2.gz XUMGSNWINPWSIZ-OAHLLOKOSA-N 1 1 353.422 3.047 20 5 FGBDMO C[C@H](C(=O)N1CCc2ccccc21)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000576054873 506065171 /nfs/dbraw/zinc/06/51/71/506065171.db2.gz XUMGSNWINPWSIZ-OAHLLOKOSA-N 1 1 353.422 3.047 20 5 FGBDMO COc1cccc(C(=O)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000332341362 498655342 /nfs/dbraw/zinc/65/53/42/498655342.db2.gz QZMUCOBBAARCEI-ZNMIVQPWSA-N 1 1 361.442 3.081 20 5 FGBDMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000332510082 498706487 /nfs/dbraw/zinc/70/64/87/498706487.db2.gz JKHZQIMKINJVSE-DGCLKSJQSA-N 1 1 371.359 3.312 20 5 FGBDMO C[C@@H]1CCCN(c2ccc(C(=O)N[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2[N+](=O)[O-])C1 ZINC000332563671 498727169 /nfs/dbraw/zinc/72/71/69/498727169.db2.gz WHMISLWHCOVDOG-VYDXJSESSA-N 1 1 374.485 3.044 20 5 FGBDMO CNC(=O)c1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000312321946 498759375 /nfs/dbraw/zinc/75/93/75/498759375.db2.gz RYSKJGWDPOPCKO-YOEHRIQHSA-N 1 1 368.437 3.029 20 5 FGBDMO Cc1cccnc1CCC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000294695303 498775531 /nfs/dbraw/zinc/77/55/31/498775531.db2.gz AYHGUKLNHKFUKG-LJQANCHMSA-N 1 1 365.437 3.344 20 5 FGBDMO Cc1c[nH+]ccc1OC1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000287635684 498821695 /nfs/dbraw/zinc/82/16/95/498821695.db2.gz HKYRJGPKTHODBI-UHFFFAOYSA-N 1 1 371.422 3.351 20 5 FGBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@@H]2[C@H]1c1ccccc1 ZINC000363562076 498880116 /nfs/dbraw/zinc/88/01/16/498880116.db2.gz IFCAEJIQZKMZFI-DKSSEZFCSA-N 1 1 369.396 3.109 20 5 FGBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[C@@H]1C ZINC000333343760 498986618 /nfs/dbraw/zinc/98/66/18/498986618.db2.gz PRJYQYRSFNNAJT-LSDHHAIUSA-N 1 1 363.461 3.236 20 5 FGBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[C@@H]1C ZINC000333343760 498986622 /nfs/dbraw/zinc/98/66/22/498986622.db2.gz PRJYQYRSFNNAJT-LSDHHAIUSA-N 1 1 363.461 3.236 20 5 FGBDMO COC(=O)c1cc([N+](=O)[O-])c(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Cl ZINC000363783971 498991279 /nfs/dbraw/zinc/99/12/79/498991279.db2.gz OHWVDONGQDPHPD-GHMZBOCLSA-N 1 1 353.806 3.074 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000363818370 499009863 /nfs/dbraw/zinc/00/98/63/499009863.db2.gz KMTXTULTECCHTA-GFCCVEGCSA-N 1 1 354.332 3.337 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@@]4(CCCCO4)C3)n2)cc1 ZINC000370094971 499179466 /nfs/dbraw/zinc/17/94/66/499179466.db2.gz QNRJOKJQXAYDME-SFHVURJKSA-N 1 1 358.398 3.180 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@]4(CCCCO4)C3)n2)cc1 ZINC000370094971 499179467 /nfs/dbraw/zinc/17/94/67/499179467.db2.gz QNRJOKJQXAYDME-SFHVURJKSA-N 1 1 358.398 3.180 20 5 FGBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](n3cc[nH+]c3C(C)C)C2)c1 ZINC000370877880 499265801 /nfs/dbraw/zinc/26/58/01/499265801.db2.gz VZIXZUNPHXAJGH-CQSZACIVSA-N 1 1 372.425 3.401 20 5 FGBDMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000368353121 499287971 /nfs/dbraw/zinc/28/79/71/499287971.db2.gz CCLFPXWZNBDSCP-IAGOWNOFSA-N 1 1 351.834 3.224 20 5 FGBDMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000368353121 499287972 /nfs/dbraw/zinc/28/79/72/499287972.db2.gz CCLFPXWZNBDSCP-IAGOWNOFSA-N 1 1 351.834 3.224 20 5 FGBDMO CC(=O)NCc1ccc([C@H]2CCC[N@H+]2CCOc2cccc([N+](=O)[O-])c2)o1 ZINC000368760757 499329239 /nfs/dbraw/zinc/32/92/39/499329239.db2.gz HINICJMVOUBVSM-GOSISDBHSA-N 1 1 373.409 3.040 20 5 FGBDMO Cn1ccnc1[C@H]1CCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000371505492 499335624 /nfs/dbraw/zinc/33/56/24/499335624.db2.gz JMOXEEUHJCTXMR-MRXNPFEDSA-N 1 1 367.409 3.363 20 5 FGBDMO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000371660141 499352099 /nfs/dbraw/zinc/35/20/99/499352099.db2.gz MRJNVULDQWWJFM-CVEARBPZSA-N 1 1 351.834 3.224 20 5 FGBDMO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000371660141 499352101 /nfs/dbraw/zinc/35/21/01/499352101.db2.gz MRJNVULDQWWJFM-CVEARBPZSA-N 1 1 351.834 3.224 20 5 FGBDMO CSc1cccc(C(=O)N2CCC(n3c[nH+]cc3C)CC2)c1[N+](=O)[O-] ZINC000369079980 499363535 /nfs/dbraw/zinc/36/35/35/499363535.db2.gz ZQCXXYVOWSYUEJ-UHFFFAOYSA-N 1 1 360.439 3.299 20 5 FGBDMO Cn1cc([C@@H](O)C[C@@H]2CCC[N@H+]2Cc2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000369282744 499387457 /nfs/dbraw/zinc/38/74/57/499387457.db2.gz IXJXGYHKVHRANG-YOEHRIQHSA-N 1 1 364.833 3.070 20 5 FGBDMO Cc1ncc(C[N@H+]2CC[C@@H](Nc3ncc([N+](=O)[O-])cc3C)[C@@H](C)C2)s1 ZINC000369591769 499423890 /nfs/dbraw/zinc/42/38/90/499423890.db2.gz NYGXBRZJVNIDKX-BLLLJJGKSA-N 1 1 361.471 3.386 20 5 FGBDMO C[N@@H+](C[C@H]1CC12CCN(C(=O)c1ccc(F)cc1[N+](=O)[O-])CC2)C1CC1 ZINC000372420692 499432715 /nfs/dbraw/zinc/43/27/15/499432715.db2.gz NBWZUXGJWGGHJG-CYBMUJFWSA-N 1 1 361.417 3.070 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000373145963 499453736 /nfs/dbraw/zinc/45/37/36/499453736.db2.gz RQXZTCZDTHKAFX-HNNXBMFYSA-N 1 1 357.454 3.240 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]C[C@]1(C)CCO[C@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000373367724 499465796 /nfs/dbraw/zinc/46/57/96/499465796.db2.gz AXAXRJSMOBAASE-HBFSDRIKSA-N 1 1 370.453 3.213 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375409297 499515334 /nfs/dbraw/zinc/51/53/34/499515334.db2.gz RWWJQXWMXSCEOH-CYBMUJFWSA-N 1 1 358.398 3.243 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(C)(c2nc3ccccc3s2)CC1 ZINC000375636192 499540000 /nfs/dbraw/zinc/54/00/00/499540000.db2.gz KBUWAALSPWQGFI-UHFFFAOYSA-N 1 1 371.466 3.492 20 5 FGBDMO O=[N+]([O-])c1ccc2nc(NC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)ccc2c1 ZINC000380038871 499543152 /nfs/dbraw/zinc/54/31/52/499543152.db2.gz YCFJDJBLQSQRLT-KRWDZBQOSA-N 1 1 362.433 3.499 20 5 FGBDMO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000389232216 499552450 /nfs/dbraw/zinc/55/24/50/499552450.db2.gz ZLTHLGAPXZVFSD-UHFFFAOYSA-N 1 1 366.343 3.331 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000389785354 499553171 /nfs/dbraw/zinc/55/31/71/499553171.db2.gz LHYVOFXVHJWTBJ-SCLBCKFNSA-N 1 1 351.410 3.404 20 5 FGBDMO CNc1c(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000390713823 499555037 /nfs/dbraw/zinc/55/50/37/499555037.db2.gz BPEMVQUPLHELCA-MRXNPFEDSA-N 1 1 368.437 3.031 20 5 FGBDMO CNc1ccc(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000398015636 499566126 /nfs/dbraw/zinc/56/61/26/499566126.db2.gz WFDKQBQYSSEZAJ-RHSMWYFYSA-N 1 1 368.437 3.029 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000375901476 499566699 /nfs/dbraw/zinc/56/66/99/499566699.db2.gz KKGQTFGQGRUJLW-UHFFFAOYSA-N 1 1 357.385 3.082 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000375901476 499566701 /nfs/dbraw/zinc/56/67/01/499566701.db2.gz KKGQTFGQGRUJLW-UHFFFAOYSA-N 1 1 357.385 3.082 20 5 FGBDMO COc1ccc(CN[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000406047644 499572153 /nfs/dbraw/zinc/57/21/53/499572153.db2.gz WNZRLYOVPVVRKT-HXUWFJFHSA-N 1 1 355.438 3.358 20 5 FGBDMO O=C(CC[N@H+]1CCCN(c2ccccc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000409856059 499625580 /nfs/dbraw/zinc/62/55/80/499625580.db2.gz DIKCNDGECFWFCY-UHFFFAOYSA-N 1 1 368.437 3.136 20 5 FGBDMO CC(=O)c1ccc([N+](=O)[O-])cc1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000377170135 499667628 /nfs/dbraw/zinc/66/76/28/499667628.db2.gz RFXHXMBOZGXXAR-UHFFFAOYSA-N 1 1 354.410 3.269 20 5 FGBDMO COc1ccc(NC(=O)CC[N@@H+](Cc2ccco2)C(C)C)c([N+](=O)[O-])c1 ZINC000411197097 499709811 /nfs/dbraw/zinc/70/98/11/499709811.db2.gz VIUFESMXZDRSMK-UHFFFAOYSA-N 1 1 361.398 3.436 20 5 FGBDMO C[C@@H](O)c1ncc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000377616981 499711060 /nfs/dbraw/zinc/71/10/60/499711060.db2.gz QZVHPUSZQVBEKY-GFCCVEGCSA-N 1 1 363.439 3.148 20 5 FGBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000377741209 499727237 /nfs/dbraw/zinc/72/72/37/499727237.db2.gz MMSXJSXKXQRRSE-RVKKMQEKSA-N 1 1 370.453 3.444 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000411498356 499747958 /nfs/dbraw/zinc/74/79/58/499747958.db2.gz BEHKNPHFBLBRRB-JLJPHGGASA-N 1 1 361.442 3.443 20 5 FGBDMO CC(C)([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1ccccc1[N+](=O)[O-] ZINC000414458522 499794728 /nfs/dbraw/zinc/79/47/28/499794728.db2.gz XXOZXLUNQRNPCH-UHFFFAOYSA-N 1 1 354.453 3.085 20 5 FGBDMO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000414486763 499798509 /nfs/dbraw/zinc/79/85/09/499798509.db2.gz UITVLBVLZVLUQI-UHFFFAOYSA-N 1 1 368.842 3.332 20 5 FGBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000421098341 499952920 /nfs/dbraw/zinc/95/29/20/499952920.db2.gz XQEVUGIYJAXBNZ-LLVKDONJSA-N 1 1 360.336 3.172 20 5 FGBDMO CC(C)(NC(=O)CC[N@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000416171603 499967386 /nfs/dbraw/zinc/96/73/86/499967386.db2.gz REEOBFRPKIERJO-UHFFFAOYSA-N 1 1 367.449 3.395 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+](C)C2(CO)CCC2)cc1OC ZINC000429229166 500027589 /nfs/dbraw/zinc/02/75/89/500027589.db2.gz GOSPWYNXBOTJNG-AWEZNQCLSA-N 1 1 366.458 3.375 20 5 FGBDMO CC(C)([NH2+]CC(=O)N[C@@H]1CCOc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000429260420 500036422 /nfs/dbraw/zinc/03/64/22/500036422.db2.gz WMYYSHOOTLJZKY-MRXNPFEDSA-N 1 1 369.421 3.060 20 5 FGBDMO CC[C@@](C)(C(=O)OC)[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)CC1CC1 ZINC000425347778 500080620 /nfs/dbraw/zinc/08/06/20/500080620.db2.gz MDTBNHJMTOFZAO-SFHVURJKSA-N 1 1 350.415 3.157 20 5 FGBDMO CC[C@@](C)(C(=O)OC)[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)CC1CC1 ZINC000425347778 500080623 /nfs/dbraw/zinc/08/06/23/500080623.db2.gz MDTBNHJMTOFZAO-SFHVURJKSA-N 1 1 350.415 3.157 20 5 FGBDMO CN(Cc1ccc(Br)cc1[N+](=O)[O-])C[C@H]1CCC[N@@H+](C)C1 ZINC000425426268 500102529 /nfs/dbraw/zinc/10/25/29/500102529.db2.gz ZYMHYQRDRFAYLI-LBPRGKRZSA-N 1 1 356.264 3.131 20 5 FGBDMO C[C@@H]1CC[C@@](CO)([N@@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425432352 500104099 /nfs/dbraw/zinc/10/40/99/500104099.db2.gz IAWVYFPPCYJCAT-IAQYHMDHSA-N 1 1 357.248 3.340 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000413951541 500105774 /nfs/dbraw/zinc/10/57/74/500105774.db2.gz HDSUTADNAZQYKA-MRXNPFEDSA-N 1 1 353.422 3.250 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000413951541 500105775 /nfs/dbraw/zinc/10/57/75/500105775.db2.gz HDSUTADNAZQYKA-MRXNPFEDSA-N 1 1 353.422 3.250 20 5 FGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425559782 500146894 /nfs/dbraw/zinc/14/68/94/500146894.db2.gz ZQMDUFIAPZHOLM-KDOFPFPSSA-N 1 1 373.453 3.203 20 5 FGBDMO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000430111172 500194626 /nfs/dbraw/zinc/19/46/26/500194626.db2.gz OOUHQRLAANFWEQ-HXUWFJFHSA-N 1 1 354.406 3.220 20 5 FGBDMO COc1ccc(-c2ccc(CN3CC[C@@]4(CC[N@@H+](C)C4)C3)o2)c([N+](=O)[O-])c1 ZINC000430115194 500194990 /nfs/dbraw/zinc/19/49/90/500194990.db2.gz FVAJWECFBAJOSI-HXUWFJFHSA-N 1 1 371.437 3.391 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000430194195 500207239 /nfs/dbraw/zinc/20/72/39/500207239.db2.gz IFRCOWODFMNFRJ-KRWDZBQOSA-N 1 1 352.394 3.400 20 5 FGBDMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430227300 500211890 /nfs/dbraw/zinc/21/18/90/500211890.db2.gz QVDSCVJCABKBAX-GDBMZVCRSA-N 1 1 363.458 3.120 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCSC[C@@H]3C3CCC3)n2)cc1 ZINC000419373752 500358968 /nfs/dbraw/zinc/35/89/68/500358968.db2.gz MZTDIQYBHGKLEP-OAHLLOKOSA-N 1 1 360.439 3.362 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCSC[C@@H]3C3CCC3)n2)cc1 ZINC000419373752 500358969 /nfs/dbraw/zinc/35/89/69/500358969.db2.gz MZTDIQYBHGKLEP-OAHLLOKOSA-N 1 1 360.439 3.362 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000423604786 500388921 /nfs/dbraw/zinc/38/89/21/500388921.db2.gz HEUURZQOJPXDPJ-GOSISDBHSA-N 1 1 357.385 3.137 20 5 FGBDMO CC(C)(NC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000431664555 500405260 /nfs/dbraw/zinc/40/52/60/500405260.db2.gz YNQAWLHZPZKRHD-HNNXBMFYSA-N 1 1 360.458 3.146 20 5 FGBDMO O=C(Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424117334 500456395 /nfs/dbraw/zinc/45/63/95/500456395.db2.gz YVMGCBOYWDLZOL-QFBILLFUSA-N 1 1 366.421 3.333 20 5 FGBDMO COc1cncc(/C=C\CC[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000570566756 506197360 /nfs/dbraw/zinc/19/73/60/506197360.db2.gz LVPUJYXPWYMLJM-RQOWECAXSA-N 1 1 355.394 3.296 20 5 FGBDMO COc1cncc(/C=C\CC[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000570566756 506197361 /nfs/dbraw/zinc/19/73/61/506197361.db2.gz LVPUJYXPWYMLJM-RQOWECAXSA-N 1 1 355.394 3.296 20 5 FGBDMO C[C@H](CCNc1c(C(N)=O)cccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000420597428 500475970 /nfs/dbraw/zinc/47/59/70/500475970.db2.gz IILLQHLVHCBRGO-CQSZACIVSA-N 1 1 356.426 3.016 20 5 FGBDMO COc1cc(C[N@@H+]2CCC[C@H](OCC3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000428387178 500503671 /nfs/dbraw/zinc/50/36/71/500503671.db2.gz FIEMIZXJVRYORJ-HNNXBMFYSA-N 1 1 350.415 3.003 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@H](OCC3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000428387178 500503673 /nfs/dbraw/zinc/50/36/73/500503673.db2.gz FIEMIZXJVRYORJ-HNNXBMFYSA-N 1 1 350.415 3.003 20 5 FGBDMO CCOc1ccc([C@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000432411980 500512867 /nfs/dbraw/zinc/51/28/67/500512867.db2.gz DDHXLFBFTCRNMF-CVEARBPZSA-N 1 1 365.474 3.145 20 5 FGBDMO CCOc1ccc([C@H](C)[NH2+]CCCN2CCCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000432411980 500512871 /nfs/dbraw/zinc/51/28/71/500512871.db2.gz DDHXLFBFTCRNMF-CVEARBPZSA-N 1 1 365.474 3.145 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000428722522 500549223 /nfs/dbraw/zinc/54/92/23/500549223.db2.gz WVQYQJPQJUZETP-GOEBONIOSA-N 1 1 353.369 3.209 20 5 FGBDMO CN(C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000447191655 500574897 /nfs/dbraw/zinc/57/48/97/500574897.db2.gz KFGAYFFVIVPZRV-UHFFFAOYSA-N 1 1 373.319 3.390 20 5 FGBDMO C[C@@H](C1CCCCC1)[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000447395862 500600458 /nfs/dbraw/zinc/60/04/58/500600458.db2.gz OSRBOWYSGSMXSH-AWEZNQCLSA-N 1 1 354.472 3.269 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000447405210 500601769 /nfs/dbraw/zinc/60/17/69/500601769.db2.gz OBPHULDNHTXNAF-UHFFFAOYSA-N 1 1 373.457 3.384 20 5 FGBDMO CCOc1cc(C[N@@H+](CCOC)[C@H]2CCCSC2)ccc1[N+](=O)[O-] ZINC000433182413 500640765 /nfs/dbraw/zinc/64/07/65/500640765.db2.gz NVADPOKQKMHGAG-HNNXBMFYSA-N 1 1 354.472 3.338 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000437513823 500653018 /nfs/dbraw/zinc/65/30/18/500653018.db2.gz IFYDGKJSJSEWIM-LJQANCHMSA-N 1 1 356.422 3.437 20 5 FGBDMO Cc1c(CNC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)cccc1[N+](=O)[O-] ZINC000437855949 500707792 /nfs/dbraw/zinc/70/77/92/500707792.db2.gz WVUNCPOTANRDRO-GOSISDBHSA-N 1 1 374.485 3.500 20 5 FGBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000448259515 500741354 /nfs/dbraw/zinc/74/13/54/500741354.db2.gz DTCXZFORQRALIE-INIZCTEOSA-N 1 1 362.474 3.250 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000448285623 500743389 /nfs/dbraw/zinc/74/33/89/500743389.db2.gz NGLFLRYKGBSKOY-MRXNPFEDSA-N 1 1 372.469 3.034 20 5 FGBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC[C@H](C)O)c([N+](=O)[O-])c1 ZINC000444186175 500814970 /nfs/dbraw/zinc/81/49/70/500814970.db2.gz RLLWYFDURGTCLD-KXBFYZLASA-N 1 1 371.437 3.286 20 5 FGBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+](C)CC[C@H](C)O)c([N+](=O)[O-])c1 ZINC000444186175 500814973 /nfs/dbraw/zinc/81/49/73/500814973.db2.gz RLLWYFDURGTCLD-KXBFYZLASA-N 1 1 371.437 3.286 20 5 FGBDMO Cc1c(CC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000438836735 500825081 /nfs/dbraw/zinc/82/50/81/500825081.db2.gz PWNHTKKHHSAYAH-INIZCTEOSA-N 1 1 367.449 3.179 20 5 FGBDMO Cc1c(CC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000438836735 500825085 /nfs/dbraw/zinc/82/50/85/500825085.db2.gz PWNHTKKHHSAYAH-INIZCTEOSA-N 1 1 367.449 3.179 20 5 FGBDMO Cc1c(CC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000438836738 500825202 /nfs/dbraw/zinc/82/52/02/500825202.db2.gz PWNHTKKHHSAYAH-MRXNPFEDSA-N 1 1 367.449 3.179 20 5 FGBDMO Cc1c(CC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000438836738 500825204 /nfs/dbraw/zinc/82/52/04/500825204.db2.gz PWNHTKKHHSAYAH-MRXNPFEDSA-N 1 1 367.449 3.179 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccccc2C[N@@H+](C)C(C)C)n1 ZINC000439102908 500856578 /nfs/dbraw/zinc/85/65/78/500856578.db2.gz ZWCVBSPQPMCHSC-UHFFFAOYSA-N 1 1 372.425 3.229 20 5 FGBDMO Cc1noc(CNc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000596030216 506221180 /nfs/dbraw/zinc/22/11/80/506221180.db2.gz OUTSXNHLNRRCKI-CHWSQXEVSA-N 1 1 360.414 3.113 20 5 FGBDMO C[N@@H+](CCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])C1CCCC1 ZINC000448916629 500869199 /nfs/dbraw/zinc/86/91/99/500869199.db2.gz GXMCBWZUIXXVRS-UHFFFAOYSA-N 1 1 359.348 3.218 20 5 FGBDMO O=[N+]([O-])c1ccc2oc(CN3CC[NH+](Cc4cccs4)CC3)nc2c1 ZINC000434835456 500900197 /nfs/dbraw/zinc/90/01/97/500900197.db2.gz CDKKLCGUFSCAFC-UHFFFAOYSA-N 1 1 358.423 3.115 20 5 FGBDMO CC[C@@H](c1ccccc1)[N@@H+](CC(C)C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000440330851 500997874 /nfs/dbraw/zinc/99/78/74/500997874.db2.gz WDCOGFAOBRYJRP-MOPGFXCFSA-N 1 1 360.458 3.262 20 5 FGBDMO CCC[N@@H+](CC)Cc1ccc(-c2nc(-c3c([N+](=O)[O-])ncn3C)no2)cc1 ZINC000445578914 501005422 /nfs/dbraw/zinc/00/54/22/501005422.db2.gz JHZCYKNWBOLLOC-UHFFFAOYSA-N 1 1 370.413 3.277 20 5 FGBDMO Cc1cccnc1CCC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000449484067 501014268 /nfs/dbraw/zinc/01/42/68/501014268.db2.gz LISFFECSHNQHRM-LJQANCHMSA-N 1 1 365.437 3.344 20 5 FGBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435831978 501035106 /nfs/dbraw/zinc/03/51/06/501035106.db2.gz XLTDGTDPMBXJIX-ZDUSSCGKSA-N 1 1 367.424 3.035 20 5 FGBDMO C[C@@H]1OCC[C@H]1[N@@H+](CCO)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000449681438 501060988 /nfs/dbraw/zinc/06/09/88/501060988.db2.gz VVMOWHYDMAOHKX-XJKSGUPXSA-N 1 1 362.451 3.295 20 5 FGBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCCC[C@@H]2/C=C\c2ccccc2)c1 ZINC000441050198 501079512 /nfs/dbraw/zinc/07/95/12/501079512.db2.gz XHHSGXURVGYNCE-HPTYGODWSA-N 1 1 370.453 3.110 20 5 FGBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCCC[C@H]2/C=C\c2ccccc2)c1 ZINC000441050199 501080083 /nfs/dbraw/zinc/08/00/83/501080083.db2.gz XHHSGXURVGYNCE-SFWXYKJNSA-N 1 1 370.453 3.110 20 5 FGBDMO C[N@H+]1CCCC12CCN(C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])CC2 ZINC000450380342 501105832 /nfs/dbraw/zinc/10/58/32/501105832.db2.gz QSGITNQHELPIJH-UHFFFAOYSA-N 1 1 371.359 3.314 20 5 FGBDMO COC(=O)c1cccc(OCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000441240247 501106933 /nfs/dbraw/zinc/10/69/33/501106933.db2.gz APKBQSKVPGSIII-UHFFFAOYSA-N 1 1 370.405 3.425 20 5 FGBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000450385298 501107430 /nfs/dbraw/zinc/10/74/30/501107430.db2.gz CZQZRPJLBCWNEY-DYVFJYSZSA-N 1 1 356.426 3.072 20 5 FGBDMO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000450391976 501109903 /nfs/dbraw/zinc/10/99/03/501109903.db2.gz NZTGBALIBWJJQQ-BEFAXECRSA-N 1 1 369.469 3.430 20 5 FGBDMO CCC(C)(C)[C@@H]1CCC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000441672965 501163557 /nfs/dbraw/zinc/16/35/57/501163557.db2.gz YLLXQGRFFZYFII-INIZCTEOSA-N 1 1 363.414 3.163 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cnc4ccc(Cl)cn34)nc2c1 ZINC000446842044 501172287 /nfs/dbraw/zinc/17/22/87/501172287.db2.gz CFPVDYODXDXSQV-UHFFFAOYSA-N 1 1 356.773 3.062 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000447077613 501201856 /nfs/dbraw/zinc/20/18/56/501201856.db2.gz OAVCYYPFRSCQBN-QZTJIDSGSA-N 1 1 355.438 3.198 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2csc(NCCc3cn4c([nH+]3)CCCC4)n2)cc1 ZINC000450249198 501219072 /nfs/dbraw/zinc/21/90/72/501219072.db2.gz WJOOQMLZEAJOAQ-UHFFFAOYSA-N 1 1 369.450 3.328 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000451003448 501238326 /nfs/dbraw/zinc/23/83/26/501238326.db2.gz LUGCMWGBICAJOQ-INIZCTEOSA-N 1 1 354.410 3.116 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000451003448 501238327 /nfs/dbraw/zinc/23/83/27/501238327.db2.gz LUGCMWGBICAJOQ-INIZCTEOSA-N 1 1 354.410 3.116 20 5 FGBDMO CCS(=O)(=O)c1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000451060614 501242544 /nfs/dbraw/zinc/24/25/44/501242544.db2.gz YPUKWTISGWGRPJ-UHFFFAOYSA-N 1 1 362.451 3.413 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451361869 501275193 /nfs/dbraw/zinc/27/51/93/501275193.db2.gz GZQWOUZWPQADPG-XNZAXJMJSA-N 1 1 371.437 3.074 20 5 FGBDMO C[C@@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[N@H+](C2CCC2)C1 ZINC000455338462 501275671 /nfs/dbraw/zinc/27/56/71/501275671.db2.gz SSIAZQISDLGSPL-LBPRGKRZSA-N 1 1 350.394 3.072 20 5 FGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000453238644 501296855 /nfs/dbraw/zinc/29/68/55/501296855.db2.gz OSVGFXTWEJAXOM-TXEJJXNPSA-N 1 1 357.414 3.376 20 5 FGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3nc(CC(F)(F)F)no3)C2)cc1 ZINC000451551220 501320741 /nfs/dbraw/zinc/32/07/41/501320741.db2.gz TXCXXMIUPGDSJY-GFCCVEGCSA-N 1 1 370.331 3.462 20 5 FGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3nc(CC(F)(F)F)no3)C2)cc1 ZINC000451551220 501320744 /nfs/dbraw/zinc/32/07/44/501320744.db2.gz TXCXXMIUPGDSJY-GFCCVEGCSA-N 1 1 370.331 3.462 20 5 FGBDMO Nc1nc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)nc2ccccc12 ZINC000451549619 501321084 /nfs/dbraw/zinc/32/10/84/501321084.db2.gz PRPDMMIEIKRNDC-HNNXBMFYSA-N 1 1 363.421 3.330 20 5 FGBDMO C[C@@H](C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1)c1cc(F)cc(F)c1 ZINC000453574397 501351208 /nfs/dbraw/zinc/35/12/08/501351208.db2.gz JCBZOAWMHAQQKD-ZDUSSCGKSA-N 1 1 362.380 3.194 20 5 FGBDMO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000451769987 501368906 /nfs/dbraw/zinc/36/89/06/501368906.db2.gz BZHSQXQMMASKMP-GLQYFDAESA-N 1 1 374.397 3.027 20 5 FGBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CCC(C)(O)CC2)cc1OC ZINC000611667575 506250987 /nfs/dbraw/zinc/25/09/87/506250987.db2.gz TXBZNZDBIUDLGM-CQSZACIVSA-N 1 1 366.458 3.375 20 5 FGBDMO Cc1cc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000456301294 501492212 /nfs/dbraw/zinc/49/22/12/501492212.db2.gz HKZXFHJPWSQVAQ-MRXNPFEDSA-N 1 1 367.449 3.497 20 5 FGBDMO Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C1)C2 ZINC000452841409 501572169 /nfs/dbraw/zinc/57/21/69/501572169.db2.gz HCSURNMIVPOPMT-DLBZAZTESA-N 1 1 368.437 3.068 20 5 FGBDMO CSc1ccc(C(=O)N2CC[NH2+][C@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000456999026 501632580 /nfs/dbraw/zinc/63/25/80/501632580.db2.gz SHUQBXVBVMFWSF-HNNXBMFYSA-N 1 1 357.435 3.103 20 5 FGBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC000457100251 501650485 /nfs/dbraw/zinc/65/04/85/501650485.db2.gz WJZDTUBNUWMCGK-MRXNPFEDSA-N 1 1 368.437 3.212 20 5 FGBDMO C[N@@H+](CCCCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000457173005 501661974 /nfs/dbraw/zinc/66/19/74/501661974.db2.gz VEKWIJAIKHOVKS-UHFFFAOYSA-N 1 1 371.890 3.331 20 5 FGBDMO CC(C)O[C@H](C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000459499408 501664630 /nfs/dbraw/zinc/66/46/30/501664630.db2.gz ALJZSGIPINPQLI-LJQANCHMSA-N 1 1 370.453 3.278 20 5 FGBDMO COCC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C[C@H]1CC=CCC1 ZINC000485127784 501730378 /nfs/dbraw/zinc/73/03/78/501730378.db2.gz CNTHOHZYIGLCJO-INIZCTEOSA-N 1 1 361.442 3.146 20 5 FGBDMO Cn1ncc(C2CC2)c1C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602710946 506270350 /nfs/dbraw/zinc/27/03/50/506270350.db2.gz MNXDJUGVESVYPF-UHFFFAOYSA-N 1 1 371.260 3.320 20 5 FGBDMO C[C@H](CNc1ncc([N+](=O)[O-])cc1Br)[N@H+]1CCCC[C@@H]1C ZINC000485178154 501749167 /nfs/dbraw/zinc/74/91/67/501749167.db2.gz MOOCUYOOWACASX-WDEREUQCSA-N 1 1 357.252 3.427 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000467700514 501848500 /nfs/dbraw/zinc/84/85/00/501848500.db2.gz LOCLSRVCLRQYOJ-WBVHZDCISA-N 1 1 353.422 3.296 20 5 FGBDMO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@H+]1Cc1ccccc1 ZINC000596151239 506281570 /nfs/dbraw/zinc/28/15/70/506281570.db2.gz BWZPZINWAYJDLU-YOEHRIQHSA-N 1 1 368.437 3.159 20 5 FGBDMO C[C@@H](CCNc1ccc([N+](=O)[O-])c(C(N)=O)c1)[N@@H+](C)Cc1ccccc1 ZINC000596152876 506283803 /nfs/dbraw/zinc/28/38/03/506283803.db2.gz PZPUNQPIROJIRS-AWEZNQCLSA-N 1 1 356.426 3.016 20 5 FGBDMO CC[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1cc(F)cc(Br)c1 ZINC000485853236 501962099 /nfs/dbraw/zinc/96/20/99/501962099.db2.gz SSGOISCXIASFSA-GFCCVEGCSA-N 1 1 371.210 3.471 20 5 FGBDMO CCC1(CC)CC[NH+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000485870109 501968978 /nfs/dbraw/zinc/96/89/78/501968978.db2.gz FAKKSRGRHHAFQP-UHFFFAOYSA-N 1 1 354.472 3.271 20 5 FGBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)C1 ZINC000478404244 501969379 /nfs/dbraw/zinc/96/93/79/501969379.db2.gz IXAWZLAKDGIDNJ-CQSZACIVSA-N 1 1 356.426 3.085 20 5 FGBDMO Cc1c(CNC(=O)NCCC[N@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000478481628 501996806 /nfs/dbraw/zinc/99/68/06/501996806.db2.gz MFSXRJASARECDY-UHFFFAOYSA-N 1 1 370.453 3.225 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471388379 502008332 /nfs/dbraw/zinc/00/83/32/502008332.db2.gz OMJGELHDYMPWNM-HDICACEKSA-N 1 1 365.433 3.107 20 5 FGBDMO COc1cc(N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c(F)cc1[N+](=O)[O-] ZINC000485996354 502014148 /nfs/dbraw/zinc/01/41/48/502014148.db2.gz QMCUMEVFJRWFFP-LIRRHRJNSA-N 1 1 374.416 3.267 20 5 FGBDMO C[C@@H](CNC(=O)CSc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000478557502 502017498 /nfs/dbraw/zinc/01/74/98/502017498.db2.gz AVJXTNGEWRUANF-KGLIPLIRSA-N 1 1 351.472 3.066 20 5 FGBDMO CC1=CC[N@@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000475211076 502100088 /nfs/dbraw/zinc/10/00/88/502100088.db2.gz REKZHIUFAZKKJT-UHFFFAOYSA-N 1 1 372.347 3.387 20 5 FGBDMO C[C@H]1C[NH+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C[C@@H]1C ZINC000464846088 502116854 /nfs/dbraw/zinc/11/68/54/502116854.db2.gz QNPVNVQTGPLDJK-RYUDHWBXSA-N 1 1 360.439 3.245 20 5 FGBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000461621143 502155770 /nfs/dbraw/zinc/15/57/70/502155770.db2.gz YXHZLHHFYRLCPQ-CHWSQXEVSA-N 1 1 371.865 3.252 20 5 FGBDMO CC(C)C[C@@H]1CCC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000468870706 502212967 /nfs/dbraw/zinc/21/29/67/502212967.db2.gz GVZQVLBYLNVOEO-ZDUSSCGKSA-N 1 1 363.414 3.020 20 5 FGBDMO CC(C)C[C@@H]1CCC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000468870706 502212973 /nfs/dbraw/zinc/21/29/73/502212973.db2.gz GVZQVLBYLNVOEO-ZDUSSCGKSA-N 1 1 363.414 3.020 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000475576859 502217971 /nfs/dbraw/zinc/21/79/71/502217971.db2.gz YPOFVXXFUMIQEJ-AWEZNQCLSA-N 1 1 358.394 3.340 20 5 FGBDMO Cc1[nH+]c(N2CCOCC2)ccc1Nc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599058668 506300476 /nfs/dbraw/zinc/30/04/76/506300476.db2.gz FFLYASVBXFQKKD-UHFFFAOYSA-N 1 1 365.393 3.427 20 5 FGBDMO Cc1cc[nH+]c(N2CCN(C(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)CC2)c1 ZINC000475641474 502240202 /nfs/dbraw/zinc/24/02/02/502240202.db2.gz JVZILVGSSRGZJZ-UHFFFAOYSA-N 1 1 369.425 3.269 20 5 FGBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@]2(CO)Cc2ccccc2)c1 ZINC000475646416 502241748 /nfs/dbraw/zinc/24/17/48/502241748.db2.gz DZNWLKHUBOYFLG-HXUWFJFHSA-N 1 1 356.422 3.043 20 5 FGBDMO Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000462170600 502333894 /nfs/dbraw/zinc/33/38/94/502333894.db2.gz PKJKJJZULRUMJU-CRAIPNDOSA-N 1 1 353.422 3.154 20 5 FGBDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000476034083 502364083 /nfs/dbraw/zinc/36/40/83/502364083.db2.gz OKIZYLMNCCLNTK-UHFFFAOYSA-N 1 1 357.410 3.071 20 5 FGBDMO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000476034083 502364086 /nfs/dbraw/zinc/36/40/86/502364086.db2.gz OKIZYLMNCCLNTK-UHFFFAOYSA-N 1 1 357.410 3.071 20 5 FGBDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000476034083 502364088 /nfs/dbraw/zinc/36/40/88/502364088.db2.gz OKIZYLMNCCLNTK-UHFFFAOYSA-N 1 1 357.410 3.071 20 5 FGBDMO Cn1ncc(Br)c1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000487331346 502419895 /nfs/dbraw/zinc/41/98/95/502419895.db2.gz HKJRCIZZPLKXES-UHFFFAOYSA-N 1 1 353.220 3.116 20 5 FGBDMO C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)Cc1ccccc1 ZINC000466297604 502529857 /nfs/dbraw/zinc/52/98/57/502529857.db2.gz MBTKJVUHPHUBEP-ZDUSSCGKSA-N 1 1 361.829 3.385 20 5 FGBDMO C[N@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c(OCc4ccccc4)n3)[C@@H]2C1 ZINC000462695825 502537420 /nfs/dbraw/zinc/53/74/20/502537420.db2.gz IPQWKYVTFFUVKK-SJLPKXTDSA-N 1 1 368.437 3.099 20 5 FGBDMO COCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[C@H]1C ZINC000488008927 502599117 /nfs/dbraw/zinc/59/91/17/502599117.db2.gz MLENDNYAPKHSCH-MLGOLLRUSA-N 1 1 369.849 3.324 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@H](c4cccnc4)C3)o2)cc1 ZINC000602853585 506326579 /nfs/dbraw/zinc/32/65/79/506326579.db2.gz IOISPNSSRYKHTC-INIZCTEOSA-N 1 1 365.393 3.419 20 5 FGBDMO COCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CCC[C@@H]1C ZINC000488058656 502614374 /nfs/dbraw/zinc/61/43/74/502614374.db2.gz FAJUHJRBBHGVKM-MAUKXSAKSA-N 1 1 363.458 3.369 20 5 FGBDMO Cn1cc[nH+]c1C[C@@H]1CCCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000488075061 502619295 /nfs/dbraw/zinc/61/92/95/502619295.db2.gz BUEWXCSMQLKBPE-AWEZNQCLSA-N 1 1 351.410 3.336 20 5 FGBDMO COC(=O)c1cc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)n(C)c1C ZINC000462955321 502641050 /nfs/dbraw/zinc/64/10/50/502641050.db2.gz IZGUEONSKBFHHR-UHFFFAOYSA-N 1 1 357.410 3.193 20 5 FGBDMO COC(=O)c1cc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)n(C)c1C ZINC000462955321 502641055 /nfs/dbraw/zinc/64/10/55/502641055.db2.gz IZGUEONSKBFHHR-UHFFFAOYSA-N 1 1 357.410 3.193 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCNc1cccc(C)[nH+]1 ZINC000462992625 502652553 /nfs/dbraw/zinc/65/25/53/502652553.db2.gz FNIWWPYIVCBPCA-MRXNPFEDSA-N 1 1 356.426 3.095 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@H](c4cccnc4)C3)n2)cc1 ZINC000602855981 506326821 /nfs/dbraw/zinc/32/68/21/506326821.db2.gz RANDTUKKAQOZRC-INIZCTEOSA-N 1 1 365.393 3.419 20 5 FGBDMO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470134395 502672365 /nfs/dbraw/zinc/67/23/65/502672365.db2.gz PZEIMMZOBSFWPC-AWEZNQCLSA-N 1 1 372.400 3.472 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470134395 502672370 /nfs/dbraw/zinc/67/23/70/502672370.db2.gz PZEIMMZOBSFWPC-AWEZNQCLSA-N 1 1 372.400 3.472 20 5 FGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC(=O)NCc1cccs1 ZINC000470174330 502694267 /nfs/dbraw/zinc/69/42/67/502694267.db2.gz JYXNFGHIESKLJN-ZROIWOOFSA-N 1 1 359.451 3.308 20 5 FGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CC(=O)NCc1cccs1 ZINC000470174330 502694272 /nfs/dbraw/zinc/69/42/72/502694272.db2.gz JYXNFGHIESKLJN-ZROIWOOFSA-N 1 1 359.451 3.308 20 5 FGBDMO CSc1ccc(C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000470239304 502712681 /nfs/dbraw/zinc/71/26/81/502712681.db2.gz LERUTIWGYIROOG-CQSZACIVSA-N 1 1 363.483 3.121 20 5 FGBDMO Cc1cc(N2CCC([N@H+]3CCCOCC3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000596268654 506334912 /nfs/dbraw/zinc/33/49/12/506334912.db2.gz NRHZZVBYYXSORL-UHFFFAOYSA-N 1 1 370.453 3.143 20 5 FGBDMO COCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[C@H](C)C1 ZINC000484875585 502762539 /nfs/dbraw/zinc/76/25/39/502762539.db2.gz BJCIOBPAXXWPKI-JSGCOSHPSA-N 1 1 369.849 3.324 20 5 FGBDMO COCC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CC[C@@H](C)C1 ZINC000484877747 502763469 /nfs/dbraw/zinc/76/34/69/502763469.db2.gz GAWDINOFGTYDRR-CABCVRRESA-N 1 1 352.431 3.119 20 5 FGBDMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000588771335 506333372 /nfs/dbraw/zinc/33/33/72/506333372.db2.gz YYPBQBPCSQJNJN-RZQQEMMASA-N 1 1 367.449 3.478 20 5 FGBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])Cc1ccc(Cl)cc1-n1cncn1 ZINC000474143447 502814679 /nfs/dbraw/zinc/81/46/79/502814679.db2.gz FCJCKRGXPJDCBY-UHFFFAOYSA-N 1 1 357.801 3.461 20 5 FGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])Cc1ccc(Cl)cc1-n1cncn1 ZINC000474143447 502814680 /nfs/dbraw/zinc/81/46/80/502814680.db2.gz FCJCKRGXPJDCBY-UHFFFAOYSA-N 1 1 357.801 3.461 20 5 FGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](n2ccnn2)CC1 ZINC000602888162 506337499 /nfs/dbraw/zinc/33/74/99/506337499.db2.gz LMKKBHLZBAUJHF-INIZCTEOSA-N 1 1 359.430 3.201 20 5 FGBDMO Cc1c[nH+]cn1C1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000500986804 502906504 /nfs/dbraw/zinc/90/65/04/502906504.db2.gz AINPSFGTGMAJJA-UHFFFAOYSA-N 1 1 356.426 3.241 20 5 FGBDMO C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501031809 502916981 /nfs/dbraw/zinc/91/69/81/502916981.db2.gz KXMUGGZVNDWUEF-KUHUBIRLSA-N 1 1 369.421 3.247 20 5 FGBDMO CCc1ccc([C@H]2CN(C(=O)c3cc(C)cc([N+](=O)[O-])c3)CC[NH2+]2)cc1 ZINC000505506470 502921059 /nfs/dbraw/zinc/92/10/59/502921059.db2.gz MXDQDNCGRXSMPB-LJQANCHMSA-N 1 1 353.422 3.252 20 5 FGBDMO CC(C)(O)C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000501059629 502925003 /nfs/dbraw/zinc/92/50/03/502925003.db2.gz NKBXOGXDZPYAKO-UHFFFAOYSA-N 1 1 371.437 3.197 20 5 FGBDMO CCc1ccc([C@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CC[NH2+]2)cc1 ZINC000505542824 502930658 /nfs/dbraw/zinc/93/06/58/502930658.db2.gz MGFHYNQOTOKRNM-GOSISDBHSA-N 1 1 357.385 3.083 20 5 FGBDMO CC(C)[N@H+](Cc1cccs1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000513509693 502955013 /nfs/dbraw/zinc/95/50/13/502955013.db2.gz VDAHXPVNICKRCS-OAHLLOKOSA-N 1 1 350.440 3.307 20 5 FGBDMO COc1ccc(CCC[N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000497460717 502965056 /nfs/dbraw/zinc/96/50/56/502965056.db2.gz BTTRNPRXDLIWPN-UHFFFAOYSA-N 1 1 371.437 3.131 20 5 FGBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000505684811 502965856 /nfs/dbraw/zinc/96/58/56/502965856.db2.gz ZVMIXZQNWPSKLR-FXAWDEMLSA-N 1 1 359.470 3.108 20 5 FGBDMO CCc1nn(C)c(Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)c1[N+](=O)[O-] ZINC000588815663 506345086 /nfs/dbraw/zinc/34/50/86/506345086.db2.gz MHAYULFXUJJLDL-ZDUSSCGKSA-N 1 1 359.430 3.028 20 5 FGBDMO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC2)C1 ZINC000505780636 502985017 /nfs/dbraw/zinc/98/50/17/502985017.db2.gz AYXOONGHZHYIJO-CQSZACIVSA-N 1 1 363.433 3.204 20 5 FGBDMO C[C@@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[N@H+]1CCCC[C@H]1C ZINC000513716103 503007823 /nfs/dbraw/zinc/00/78/23/503007823.db2.gz XIJKDEOUAJKDFZ-NEPJUHHUSA-N 1 1 371.384 3.189 20 5 FGBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CC=C(C(C)(C)C)CC2)c1 ZINC000505976991 503024189 /nfs/dbraw/zinc/02/41/89/503024189.db2.gz SDCGWTXZXOTFSP-UHFFFAOYSA-N 1 1 361.442 3.011 20 5 FGBDMO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@H](C)C1 ZINC000501536719 503032006 /nfs/dbraw/zinc/03/20/06/503032006.db2.gz QKLOFKHTUSBZMO-NWDGAFQWSA-N 1 1 354.838 3.490 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]CCc1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000514081387 503082482 /nfs/dbraw/zinc/08/24/82/503082482.db2.gz BUNLFKMOHANZBY-GOSISDBHSA-N 1 1 354.385 3.389 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000596306755 506351408 /nfs/dbraw/zinc/35/14/08/506351408.db2.gz HYEZBGCWQZRMAO-JTQLQIEISA-N 1 1 357.252 3.285 20 5 FGBDMO COCC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CC=CCC1 ZINC000501876307 503100123 /nfs/dbraw/zinc/10/01/23/503100123.db2.gz YLPQIYMDYXSDMT-INIZCTEOSA-N 1 1 361.442 3.228 20 5 FGBDMO Cc1ccc([C@@H]2C[C@H](C)[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)cc1 ZINC000490090272 503107522 /nfs/dbraw/zinc/10/75/22/503107522.db2.gz LESNQGZUVYWCNN-KBXCAEBGSA-N 1 1 353.422 3.380 20 5 FGBDMO CCN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000501951775 503115350 /nfs/dbraw/zinc/11/53/50/503115350.db2.gz VYORNMALYDLXMG-RDJZCZTQSA-N 1 1 370.453 3.231 20 5 FGBDMO CCOc1ccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1OC ZINC000510538118 503138244 /nfs/dbraw/zinc/13/82/44/503138244.db2.gz LCEDUEOBHYNJIF-UHFFFAOYSA-N 1 1 371.437 3.324 20 5 FGBDMO Cc1cccc(C(=O)N2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000506583861 503138651 /nfs/dbraw/zinc/13/86/51/503138651.db2.gz LZMNKHSGRGBYNO-UHFFFAOYSA-N 1 1 353.422 3.251 20 5 FGBDMO Cc1cccc(C(=O)N2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000506583861 503138654 /nfs/dbraw/zinc/13/86/54/503138654.db2.gz LZMNKHSGRGBYNO-UHFFFAOYSA-N 1 1 353.422 3.251 20 5 FGBDMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000506602666 503141403 /nfs/dbraw/zinc/14/14/03/503141403.db2.gz XYKKSWLANJKTEM-KGLIPLIRSA-N 1 1 351.422 3.251 20 5 FGBDMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000506602666 503141406 /nfs/dbraw/zinc/14/14/06/503141406.db2.gz XYKKSWLANJKTEM-KGLIPLIRSA-N 1 1 351.422 3.251 20 5 FGBDMO CC(C)(NC(=O)NC[C@H]1CCCC[N@H+]1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000490382921 503165463 /nfs/dbraw/zinc/16/54/63/503165463.db2.gz WZPZBEKQRCZQTQ-OAHLLOKOSA-N 1 1 360.458 3.146 20 5 FGBDMO Cc1cccc(OC[C@H](O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000490430071 503172702 /nfs/dbraw/zinc/17/27/02/503172702.db2.gz XYYFXGNIIKEUSO-LJQANCHMSA-N 1 1 356.422 3.308 20 5 FGBDMO COC(=O)C[C@@](C)([NH2+]Cc1csc([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000510750626 503185054 /nfs/dbraw/zinc/18/50/54/503185054.db2.gz KOLSILYLPZUMDS-QGZVFWFLSA-N 1 1 364.423 3.233 20 5 FGBDMO CC[N@@H+]1C[C@H](C)N(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000498558895 503211215 /nfs/dbraw/zinc/21/12/15/503211215.db2.gz XRTGFHSHTMHFLD-RDBSUJKOSA-N 1 1 351.472 3.017 20 5 FGBDMO CC[N@H+]1C[C@H](C)N(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000498558895 503211219 /nfs/dbraw/zinc/21/12/19/503211219.db2.gz XRTGFHSHTMHFLD-RDBSUJKOSA-N 1 1 351.472 3.017 20 5 FGBDMO Cc1c([C@H](C)[NH2+]Cc2cc(S(C)(=O)=O)ccc2F)cccc1[N+](=O)[O-] ZINC000502560855 503225704 /nfs/dbraw/zinc/22/57/04/503225704.db2.gz AKOAXVAIHWZWCV-LBPRGKRZSA-N 1 1 366.414 3.297 20 5 FGBDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498654928 503233806 /nfs/dbraw/zinc/23/38/06/503233806.db2.gz QAJOQYFTOMZTEK-HNNXBMFYSA-N 1 1 370.453 3.383 20 5 FGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(c2ccccc2)C1=O ZINC000511062226 503245153 /nfs/dbraw/zinc/24/51/53/503245153.db2.gz CRZBCAYQGPUISZ-LJQANCHMSA-N 1 1 353.422 3.265 20 5 FGBDMO Cc1ccc(C)n1C1CC[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000507320044 503276627 /nfs/dbraw/zinc/27/66/27/503276627.db2.gz YCISTVVOJDIOFP-UHFFFAOYSA-N 1 1 370.453 3.313 20 5 FGBDMO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000499452301 503408174 /nfs/dbraw/zinc/40/81/74/503408174.db2.gz BVHVUHXDELBEQZ-GJZGRUSLSA-N 1 1 371.412 3.469 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000499452301 503408177 /nfs/dbraw/zinc/40/81/77/503408177.db2.gz BVHVUHXDELBEQZ-GJZGRUSLSA-N 1 1 371.412 3.469 20 5 FGBDMO O=[N+]([O-])c1ccccc1CN1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000593069084 506372678 /nfs/dbraw/zinc/37/26/78/506372678.db2.gz RRDVHFPRRDBUAW-SFTDATJTSA-N 1 1 367.449 3.070 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1cccc2[nH]ccc21 ZINC000494001116 503473076 /nfs/dbraw/zinc/47/30/76/503473076.db2.gz XTQDTVPGOAYAKP-UHFFFAOYSA-N 1 1 352.394 3.455 20 5 FGBDMO C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1Cc1ccccc1 ZINC000494026662 503476100 /nfs/dbraw/zinc/47/61/00/503476100.db2.gz JIDJNISLGDWXOU-SCLBCKFNSA-N 1 1 357.385 3.127 20 5 FGBDMO C[N@@H+](CCc1nc(-c2ccccc2)no1)CCc1ccc([N+](=O)[O-])cc1 ZINC000512195797 503483299 /nfs/dbraw/zinc/48/32/99/503483299.db2.gz MIOZSMZQLZJUHZ-UHFFFAOYSA-N 1 1 352.394 3.362 20 5 FGBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH+]2CCC(Cn3cnnc3)CC2)c1 ZINC000593077027 506378172 /nfs/dbraw/zinc/37/81/72/506378172.db2.gz ILAVPPMZHXXZRZ-UHFFFAOYSA-N 1 1 369.347 3.117 20 5 FGBDMO CCO[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000500075400 503545938 /nfs/dbraw/zinc/54/59/38/503545938.db2.gz PIIGCSGDFLQESH-SJORKVTESA-N 1 1 361.442 3.203 20 5 FGBDMO CC[C@H]1CN(c2c([N+](=O)[O-])nc(C)n2CC)CC[N@H+]1Cc1ccccc1 ZINC000516677928 503566414 /nfs/dbraw/zinc/56/64/14/503566414.db2.gz YBPYETAMTBIPQP-KRWDZBQOSA-N 1 1 357.458 3.220 20 5 FGBDMO COc1cc(C[NH2+]Cc2scnc2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000494652564 503583530 /nfs/dbraw/zinc/58/35/30/503583530.db2.gz XVNXGEPRKJJISG-UHFFFAOYSA-N 1 1 373.381 3.302 20 5 FGBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000500415849 503618622 /nfs/dbraw/zinc/61/86/22/503618622.db2.gz LQYCFNXDDDUVFP-JTQLQIEISA-N 1 1 364.789 3.115 20 5 FGBDMO COCC[N@H+](CCc1ccccc1)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000532933770 503662604 /nfs/dbraw/zinc/66/26/04/503662604.db2.gz JDTPPJVYUOCMOQ-UHFFFAOYSA-N 1 1 371.437 3.033 20 5 FGBDMO COCC[N@@H+](CCc1ccccc1)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000532933770 503662609 /nfs/dbraw/zinc/66/26/09/503662609.db2.gz JDTPPJVYUOCMOQ-UHFFFAOYSA-N 1 1 371.437 3.033 20 5 FGBDMO CC1(C)Cc2cccc(C[N@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)c2O1 ZINC000536679958 503677026 /nfs/dbraw/zinc/67/70/26/503677026.db2.gz YMKTXKUFHLQLIN-MRXNPFEDSA-N 1 1 368.437 3.390 20 5 FGBDMO C[N@@H+](CCCOc1ccccc1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000533224097 503766407 /nfs/dbraw/zinc/76/64/07/503766407.db2.gz VXBCEGFOMDXUDQ-LJQANCHMSA-N 1 1 369.421 3.101 20 5 FGBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1ccc(C)cc1 ZINC000533250560 503777894 /nfs/dbraw/zinc/77/78/94/503777894.db2.gz WXRABFQFBKYXSG-UHFFFAOYSA-N 1 1 357.410 3.372 20 5 FGBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1ccc(C)cc1 ZINC000533250560 503777898 /nfs/dbraw/zinc/77/78/98/503777898.db2.gz WXRABFQFBKYXSG-UHFFFAOYSA-N 1 1 357.410 3.372 20 5 FGBDMO C[C@@H](C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21)c1ccc([N+](=O)[O-])cc1F ZINC000543458934 503780198 /nfs/dbraw/zinc/78/01/98/503780198.db2.gz KKXUHUGBMBOVJO-XIKOKIGWSA-N 1 1 357.385 3.140 20 5 FGBDMO C[C@@H](C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21)c1ccc([N+](=O)[O-])cc1F ZINC000543458934 503780200 /nfs/dbraw/zinc/78/02/00/503780200.db2.gz KKXUHUGBMBOVJO-XIKOKIGWSA-N 1 1 357.385 3.140 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@@H](CCO)c3ccccc3)co2)cc1 ZINC000537028169 503782337 /nfs/dbraw/zinc/78/23/37/503782337.db2.gz KNIFVODAGLQJHM-SFHVURJKSA-N 1 1 353.378 3.463 20 5 FGBDMO C[C@H]1C[C@@H](CCNC(=O)c2ccc([N+](=O)[O-])cn2)C[N@H+]1Cc1ccccc1 ZINC000533574104 503894261 /nfs/dbraw/zinc/89/42/61/503894261.db2.gz ZCIQJYLFUIXZCL-DOTOQJQBSA-N 1 1 368.437 3.020 20 5 FGBDMO C[C@@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C)C1 ZINC000541014665 503975726 /nfs/dbraw/zinc/97/57/26/503975726.db2.gz YLATWDJGGWWJMF-RYUDHWBXSA-N 1 1 371.384 3.046 20 5 FGBDMO Cc1ccc(C[N@H+](CCO)Cc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000544031795 503980290 /nfs/dbraw/zinc/98/02/90/503980290.db2.gz CWICQMKHBVOCOQ-UHFFFAOYSA-N 1 1 366.364 3.499 20 5 FGBDMO Cc1ccc(C[N@@H+](CCO)Cc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000544031795 503980292 /nfs/dbraw/zinc/98/02/92/503980292.db2.gz CWICQMKHBVOCOQ-UHFFFAOYSA-N 1 1 366.364 3.499 20 5 FGBDMO CC(C)C[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000544059962 503991146 /nfs/dbraw/zinc/99/11/46/503991146.db2.gz MWFUMPBCORVBEI-GOSISDBHSA-N 1 1 358.438 3.493 20 5 FGBDMO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc([S@](C)=O)cc1 ZINC000541118534 504014732 /nfs/dbraw/zinc/01/47/32/504014732.db2.gz XQVXSVQXTIVPEE-FTJNGKRUSA-N 1 1 359.407 3.324 20 5 FGBDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000544144074 504026340 /nfs/dbraw/zinc/02/63/40/504026340.db2.gz UKUXRQFSMGFUPX-BHIYHBOVSA-N 1 1 370.449 3.460 20 5 FGBDMO O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000530622521 504030178 /nfs/dbraw/zinc/03/01/78/504030178.db2.gz XTDPRKQHZYLPRK-IBGZPJMESA-N 1 1 371.412 3.405 20 5 FGBDMO O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000530622521 504030181 /nfs/dbraw/zinc/03/01/81/504030181.db2.gz XTDPRKQHZYLPRK-IBGZPJMESA-N 1 1 371.412 3.405 20 5 FGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(Cc2cccnc2)CC1 ZINC000537842223 504061285 /nfs/dbraw/zinc/06/12/85/504061285.db2.gz XUCDMAQMUNGZIS-HNNXBMFYSA-N 1 1 368.437 3.272 20 5 FGBDMO CC(C)[N@H+](Cc1cccs1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000541280463 504072455 /nfs/dbraw/zinc/07/24/55/504072455.db2.gz BURATRNIQNETML-AWEZNQCLSA-N 1 1 350.440 3.307 20 5 FGBDMO CC[C@H](Cc1ccccc1)[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000541350510 504102157 /nfs/dbraw/zinc/10/21/57/504102157.db2.gz XDFBKMAZSVERGQ-MSOLQXFVSA-N 1 1 358.438 3.288 20 5 FGBDMO Cc1c(Br)c(N2CCC[C@H](c3[nH]cc[nH+]3)C2)ncc1[N+](=O)[O-] ZINC000544408910 504122941 /nfs/dbraw/zinc/12/29/41/504122941.db2.gz XIXQXESYTMNVLD-JTQLQIEISA-N 1 1 366.219 3.168 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2ccc(C(C)=O)cc2CC1 ZINC000534475171 504152336 /nfs/dbraw/zinc/15/23/36/504152336.db2.gz QDZBEVIUMUFPEW-UHFFFAOYSA-N 1 1 354.406 3.407 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2ccc(C(C)=O)cc2CC1 ZINC000534475171 504152341 /nfs/dbraw/zinc/15/23/41/504152341.db2.gz QDZBEVIUMUFPEW-UHFFFAOYSA-N 1 1 354.406 3.407 20 5 FGBDMO C[N@@H+](CCc1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1)C1CC1 ZINC000538231366 504170029 /nfs/dbraw/zinc/17/00/29/504170029.db2.gz KBVMQMPRIIAIQL-UHFFFAOYSA-N 1 1 369.421 3.249 20 5 FGBDMO COc1cc(F)ccc1N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000544610866 504190766 /nfs/dbraw/zinc/19/07/66/504190766.db2.gz CKRCSMHGVXIPOG-UHFFFAOYSA-N 1 1 359.401 3.373 20 5 FGBDMO COCC[C@H]([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(C)o1 ZINC000541647378 504210736 /nfs/dbraw/zinc/21/07/36/504210736.db2.gz MHODBIAAXUHZBU-HNNXBMFYSA-N 1 1 361.398 3.111 20 5 FGBDMO CN(C)c1nc2ccc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)cc2[nH]1 ZINC000519549591 504248868 /nfs/dbraw/zinc/24/88/68/504248868.db2.gz HEIIDYFUEVIGFZ-UHFFFAOYSA-N 1 1 359.773 3.443 20 5 FGBDMO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CC[C@@H](C3CC3)C2)c1 ZINC000519756321 504329208 /nfs/dbraw/zinc/32/92/08/504329208.db2.gz WIMVNYHZMMUEEI-GFCCVEGCSA-N 1 1 372.206 3.431 20 5 FGBDMO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CC[C@@H](C3CC3)C2)c1 ZINC000519756321 504329215 /nfs/dbraw/zinc/32/92/15/504329215.db2.gz WIMVNYHZMMUEEI-GFCCVEGCSA-N 1 1 372.206 3.431 20 5 FGBDMO COc1ccc(OCC[N@@H+]2Cc3ccccc3OC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000542015019 504336485 /nfs/dbraw/zinc/33/64/85/504336485.db2.gz CMSKQTSYOTXRRD-AWEZNQCLSA-N 1 1 358.394 3.265 20 5 FGBDMO COc1ccc(OCC[N@H+]2Cc3ccccc3OC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000542015019 504336490 /nfs/dbraw/zinc/33/64/90/504336490.db2.gz CMSKQTSYOTXRRD-AWEZNQCLSA-N 1 1 358.394 3.265 20 5 FGBDMO Cc1cc(C)c(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1C ZINC000538716969 504339138 /nfs/dbraw/zinc/33/91/38/504339138.db2.gz SKVUEOVEYRCAFO-UHFFFAOYSA-N 1 1 367.449 3.478 20 5 FGBDMO Cc1ccccc1C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000519903392 504379353 /nfs/dbraw/zinc/37/93/53/504379353.db2.gz BMOUKPIBCJTRDD-LJQANCHMSA-N 1 1 356.422 3.308 20 5 FGBDMO C[C@@H](NC[C@@]1(O)CC[N@H+](C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000545159132 504380049 /nfs/dbraw/zinc/38/00/49/504380049.db2.gz UZOITLWRWLYFBJ-ACJLOTCBSA-N 1 1 361.467 3.041 20 5 FGBDMO C[C@@H](NC[C@@]1(O)CC[N@@H+](C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000545159132 504380055 /nfs/dbraw/zinc/38/00/55/504380055.db2.gz UZOITLWRWLYFBJ-ACJLOTCBSA-N 1 1 361.467 3.041 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H](CCCc2ccccc2)C1 ZINC000535624216 504488528 /nfs/dbraw/zinc/48/85/28/504488528.db2.gz MVAHALGFAKBCKE-LJQANCHMSA-N 1 1 369.465 3.491 20 5 FGBDMO CCc1ccc([C@@H]([NH2+]CCC(=O)NC(C)C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542474364 504503958 /nfs/dbraw/zinc/50/39/58/504503958.db2.gz DMTTTZISHZUEEN-IBGZPJMESA-N 1 1 359.426 3.344 20 5 FGBDMO Cc1cc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3C)CC2)nc(C(C)C)n1 ZINC000542700545 504580733 /nfs/dbraw/zinc/58/07/33/504580733.db2.gz QXYFIBSIBCHNSR-UHFFFAOYSA-N 1 1 369.469 3.447 20 5 FGBDMO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)[N@H+]1CCc2ccccc2C1 ZINC000542712819 504585228 /nfs/dbraw/zinc/58/52/28/504585228.db2.gz LKTAMNLESNFZCA-CYBMUJFWSA-N 1 1 372.400 3.302 20 5 FGBDMO C[C@@H]1CCC[C@@H](C)N1CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000539503414 504592391 /nfs/dbraw/zinc/59/23/91/504592391.db2.gz FDHLEOJKLWYSPO-HZPDHXFCSA-N 1 1 371.485 3.348 20 5 FGBDMO CC1=CC[N@H+](CCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000545857512 504617411 /nfs/dbraw/zinc/61/74/11/504617411.db2.gz WWTWRAWHDVKLEP-UHFFFAOYSA-N 1 1 358.467 3.460 20 5 FGBDMO CC1=CC[N@@H+](CCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000545857512 504617414 /nfs/dbraw/zinc/61/74/14/504617414.db2.gz WWTWRAWHDVKLEP-UHFFFAOYSA-N 1 1 358.467 3.460 20 5 FGBDMO Cn1ccnc1[C@@H](NCC[N@@H+](C)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000521013184 504630205 /nfs/dbraw/zinc/63/02/05/504630205.db2.gz RVRMBVZTRPJLJG-IBGZPJMESA-N 1 1 371.485 3.272 20 5 FGBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@]3(CC[C@H](C)C3)C2)c([N+](=O)[O-])c1 ZINC000542881401 504646231 /nfs/dbraw/zinc/64/62/31/504646231.db2.gz FNDFNFMXVCGWEA-NJSLBKSFSA-N 1 1 361.442 3.443 20 5 FGBDMO CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000532576165 504697187 /nfs/dbraw/zinc/69/71/87/504697187.db2.gz URFRBWAPJVCREX-LSDHHAIUSA-N 1 1 369.849 3.322 20 5 FGBDMO CCO[C@@H]1C[C@H]([N@@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000532576165 504697191 /nfs/dbraw/zinc/69/71/91/504697191.db2.gz URFRBWAPJVCREX-LSDHHAIUSA-N 1 1 369.849 3.322 20 5 FGBDMO COCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CCO[C@@H]1C ZINC000559187177 504798203 /nfs/dbraw/zinc/79/82/03/504798203.db2.gz RADNSBDVPCKHND-ABAIWWIYSA-N 1 1 362.348 3.239 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000549418088 504817352 /nfs/dbraw/zinc/81/73/52/504817352.db2.gz UQKUURAPORHYAA-ZNMIVQPWSA-N 1 1 363.458 3.090 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000553153293 504839134 /nfs/dbraw/zinc/83/91/34/504839134.db2.gz MEDKQQOHVMREPT-RHSMWYFYSA-N 1 1 368.437 3.016 20 5 FGBDMO O=C(Nc1cc[nH+]c(N2CCc3ccccc3C2)c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000553260615 504866286 /nfs/dbraw/zinc/86/62/86/504866286.db2.gz UGZWOYIAFLWUEY-UHFFFAOYSA-N 1 1 363.377 3.133 20 5 FGBDMO Cn1cc(C[N@H+]2CC[C@H](c3cccnc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000565482350 504900758 /nfs/dbraw/zinc/90/07/58/504900758.db2.gz ZZPKQJITGKLFCD-KRWDZBQOSA-N 1 1 363.421 3.380 20 5 FGBDMO C[N@@H+](CCCn1c(=O)[nH]c2ccccc21)CCc1ccccc1[N+](=O)[O-] ZINC000556823965 504986077 /nfs/dbraw/zinc/98/60/77/504986077.db2.gz BXVRADJOZCXCED-UHFFFAOYSA-N 1 1 354.410 3.215 20 5 FGBDMO O=C(C[N@@H+]1CC[C@@H](c2ccccc2F)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000550211517 504993396 /nfs/dbraw/zinc/99/33/96/504993396.db2.gz NSXYTOWLJVLMGO-OAHLLOKOSA-N 1 1 369.396 3.113 20 5 FGBDMO O=C(C[N@H+]1CC[C@@H](c2ccccc2F)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000550211517 504993397 /nfs/dbraw/zinc/99/33/97/504993397.db2.gz NSXYTOWLJVLMGO-OAHLLOKOSA-N 1 1 369.396 3.113 20 5 FGBDMO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000563281043 505095032 /nfs/dbraw/zinc/09/50/32/505095032.db2.gz VNCCZZPMPRCOSB-UHFFFAOYSA-N 1 1 372.400 3.474 20 5 FGBDMO C[C@@H](C(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000554129090 505100143 /nfs/dbraw/zinc/10/01/43/505100143.db2.gz YUSQNFBTWPLFMY-HNSFDTNUSA-N 1 1 363.433 3.026 20 5 FGBDMO CC(C)(C)C1=CC[N@@H+](CCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000560649721 505153384 /nfs/dbraw/zinc/15/33/84/505153384.db2.gz UYVZARQZOSSTRL-UHFFFAOYSA-N 1 1 370.453 3.484 20 5 FGBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)[C@H](C)C1 ZINC000557525123 505155954 /nfs/dbraw/zinc/15/59/54/505155954.db2.gz DBMUKHBCKBRCGM-CYBMUJFWSA-N 1 1 351.472 3.262 20 5 FGBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)[C@H](C)C1 ZINC000557525123 505155957 /nfs/dbraw/zinc/15/59/57/505155957.db2.gz DBMUKHBCKBRCGM-CYBMUJFWSA-N 1 1 351.472 3.262 20 5 FGBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000560794636 505187571 /nfs/dbraw/zinc/18/75/71/505187571.db2.gz CLDXOTPSKJOFQJ-ZDUSSCGKSA-N 1 1 355.385 3.364 20 5 FGBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000561550734 505375184 /nfs/dbraw/zinc/37/51/84/505375184.db2.gz APCZNBVUXPJKCX-KRWDZBQOSA-N 1 1 362.474 3.043 20 5 FGBDMO C[N@H+]1CCC[C@]2(CCN(c3ccc(Br)cc3[N+](=O)[O-])C2)C1 ZINC000555205696 505379178 /nfs/dbraw/zinc/37/91/78/505379178.db2.gz JXAXBIBWAYUCNQ-HNNXBMFYSA-N 1 1 354.248 3.279 20 5 FGBDMO C[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000555315103 505405892 /nfs/dbraw/zinc/40/58/92/505405892.db2.gz SFSFIDHPDDBSCN-URLQWDBASA-N 1 1 357.454 3.174 20 5 FGBDMO C[C@H]1CCC[C@@](CNCCC(=O)Nc2ccccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000558573365 505427756 /nfs/dbraw/zinc/42/77/56/505427756.db2.gz JKHGDTDJUJVDBZ-HNAYVOBHSA-N 1 1 362.474 3.024 20 5 FGBDMO COc1cc(CN[C@@H](C)C[NH+](C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000561756430 505428410 /nfs/dbraw/zinc/42/84/10/505428410.db2.gz ATMIRAZXLUULLH-HNNXBMFYSA-N 1 1 373.453 3.222 20 5 FGBDMO C[C@@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000558689934 505464368 /nfs/dbraw/zinc/46/43/68/505464368.db2.gz SXTMLSHTEUHTGM-HOTGVXAUSA-N 1 1 367.449 3.261 20 5 FGBDMO CCNc1ccc(C(=O)N(C)CCC[N@@H+](C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000552403021 505483288 /nfs/dbraw/zinc/48/32/88/505483288.db2.gz FGYHDLSPHKOASI-UHFFFAOYSA-N 1 1 374.441 3.214 20 5 FGBDMO Cc1cccc(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c1C ZINC000552414903 505486482 /nfs/dbraw/zinc/48/64/82/505486482.db2.gz HESWLFHFTDFTSK-UHFFFAOYSA-N 1 1 353.422 3.170 20 5 FGBDMO Cc1sc(C(=O)N(C)CCC[N@@H+](C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000552739308 505546321 /nfs/dbraw/zinc/54/63/21/505546321.db2.gz LABSTZBFABKEJA-UHFFFAOYSA-N 1 1 351.428 3.152 20 5 FGBDMO COc1cc(C[NH2+][C@@H]2CCCn3nccc32)c([N+](=O)[O-])cc1OC(F)F ZINC000603027753 506386782 /nfs/dbraw/zinc/38/67/82/506386782.db2.gz OQQHXRHIFRVTFD-LLVKDONJSA-N 1 1 368.340 3.026 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000612077829 506424279 /nfs/dbraw/zinc/42/42/79/506424279.db2.gz PRGYCYMMVXHOBA-QFBILLFUSA-N 1 1 374.462 3.125 20 5 FGBDMO CC[C@@H]1c2ccccc2CC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612077606 506424419 /nfs/dbraw/zinc/42/44/19/506424419.db2.gz ANZWDXZIJONKDD-FUHWJXTLSA-N 1 1 356.422 3.344 20 5 FGBDMO Cc1ccccc1C[NH+]1CCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000582822631 506438357 /nfs/dbraw/zinc/43/83/57/506438357.db2.gz CTLVCQRSRMCOSH-QGZVFWFLSA-N 1 1 367.449 3.351 20 5 FGBDMO CCCN(CC(F)(F)F)C(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000599425493 506451388 /nfs/dbraw/zinc/45/13/88/506451388.db2.gz KALDOGOMYPMLNB-UHFFFAOYSA-N 1 1 361.364 3.220 20 5 FGBDMO O=[N+]([O-])c1cc(Cn2cc(C[NH2+][C@H]3CCc4ccccc43)nn2)cs1 ZINC000603205654 506457656 /nfs/dbraw/zinc/45/76/56/506457656.db2.gz GIDOKBOPCFAKLX-INIZCTEOSA-N 1 1 355.423 3.073 20 5 FGBDMO Cc1cc(C)c(Cn2cc(COc3ccccc3[N+](=O)[O-])nn2)c(C)[nH+]1 ZINC000603261324 506470124 /nfs/dbraw/zinc/47/01/24/506470124.db2.gz UIFDYSRLSACXJG-UHFFFAOYSA-N 1 1 353.382 3.134 20 5 FGBDMO CCCn1ccnc1CCC[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589199308 506481513 /nfs/dbraw/zinc/48/15/13/506481513.db2.gz BBOBYDFDGRJESU-UHFFFAOYSA-N 1 1 374.441 3.037 20 5 FGBDMO CC1(C)[C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000603401144 506502425 /nfs/dbraw/zinc/50/24/25/506502425.db2.gz ZTQYOCFSCDLEEB-CABCVRRESA-N 1 1 371.384 3.107 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](c2ccccn2)C2CCC2)c1 ZINC000599574293 506506548 /nfs/dbraw/zinc/50/65/48/506506548.db2.gz QZVFGUQEBXWXKE-SFHVURJKSA-N 1 1 355.394 3.407 20 5 FGBDMO O=[N+]([O-])c1cc2c(ncnc2N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)s1 ZINC000603416407 506507807 /nfs/dbraw/zinc/50/78/07/506507807.db2.gz QYRROBIPWGTNAB-KBPBESRZSA-N 1 1 367.434 3.063 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000596657441 506514187 /nfs/dbraw/zinc/51/41/87/506514187.db2.gz LVSAUZMRJLXPGR-QGZVFWFLSA-N 1 1 360.458 3.142 20 5 FGBDMO CC1(C)[C@H](c2ccc(F)cc2)CC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000599623029 506535162 /nfs/dbraw/zinc/53/51/62/506535162.db2.gz UFJZARLFPNZHAK-KRWDZBQOSA-N 1 1 359.401 3.164 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+](C)C[C@H]2C[C@@H](O)C2)cc1OC ZINC000599655447 506556079 /nfs/dbraw/zinc/55/60/79/506556079.db2.gz LZCSHWPABHZNEC-OFQRWUPVSA-N 1 1 366.458 3.231 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H]2c2cccc(C)n2)c1 ZINC000589502030 506571138 /nfs/dbraw/zinc/57/11/38/506571138.db2.gz DTEDJGIAUGWMBL-SFHVURJKSA-N 1 1 355.394 3.422 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H]2c2cccc(C)n2)c1 ZINC000589502030 506571141 /nfs/dbraw/zinc/57/11/41/506571141.db2.gz DTEDJGIAUGWMBL-SFHVURJKSA-N 1 1 355.394 3.422 20 5 FGBDMO C[N@@H+](C[C@@H](O)COc1ccc([N+](=O)[O-])cc1Cc1ccccc1)C1CC1 ZINC000589584481 506590784 /nfs/dbraw/zinc/59/07/84/506590784.db2.gz MJZHTUGVFMMIAL-LJQANCHMSA-N 1 1 356.422 3.020 20 5 FGBDMO COc1ccc([C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C2CC2)cn1 ZINC000599702445 506591496 /nfs/dbraw/zinc/59/14/96/506591496.db2.gz IRNWUCPQAWYRBQ-GOSISDBHSA-N 1 1 353.382 3.116 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593408831 506605410 /nfs/dbraw/zinc/60/54/10/506605410.db2.gz WLZLISMBIWGEQV-AWEZNQCLSA-N 1 1 351.422 3.047 20 5 FGBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000589631837 506613570 /nfs/dbraw/zinc/61/35/70/506613570.db2.gz LFNKPRYHONDFMC-WMLDXEAASA-N 1 1 350.463 3.466 20 5 FGBDMO C[C@H]1C[C@@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000593520521 506667326 /nfs/dbraw/zinc/66/73/26/506667326.db2.gz HCOVMWNYXVBDBS-KBXCAEBGSA-N 1 1 371.412 3.056 20 5 FGBDMO C[N@@H+](CCCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C1CCCCC1 ZINC000604085234 506708973 /nfs/dbraw/zinc/70/89/73/506708973.db2.gz YEQJHHHXQLGEFP-UHFFFAOYSA-N 1 1 358.442 3.461 20 5 FGBDMO Cc1ccc2cc(C[N@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)[nH]c2c1 ZINC000597015308 506732869 /nfs/dbraw/zinc/73/28/69/506732869.db2.gz 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O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCc2nnc(N3CCCC3)cc2C1 ZINC000597266599 506870193 /nfs/dbraw/zinc/87/01/93/506870193.db2.gz WWYVVIWXXSVILL-FNORWQNLSA-N 1 1 365.437 3.057 20 5 FGBDMO CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCN(c2ccccc2)C1=O ZINC000609488874 506898180 /nfs/dbraw/zinc/89/81/80/506898180.db2.gz CCQVDNDADGGPSR-GOSISDBHSA-N 1 1 369.421 3.101 20 5 FGBDMO C[N@H+]1CCCC[C@@H](CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000600313899 506900489 /nfs/dbraw/zinc/90/04/89/506900489.db2.gz LIWYSIAUFHKJPT-ZDUSSCGKSA-N 1 1 374.466 3.180 20 5 FGBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000600469364 506962410 /nfs/dbraw/zinc/96/24/10/506962410.db2.gz AAJBHDCWCKSVBW-AWEZNQCLSA-N 1 1 371.359 3.360 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594195969 506999022 /nfs/dbraw/zinc/99/90/22/506999022.db2.gz JORSQDDTSMHOGR-KBPBESRZSA-N 1 1 351.834 3.303 20 5 FGBDMO COC(=O)[C@@H](C)C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC1 ZINC000583947236 507065990 /nfs/dbraw/zinc/06/59/90/507065990.db2.gz FGYAWEJXUUZPMC-JTQLQIEISA-N 1 1 360.332 3.387 20 5 FGBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000594355414 507091435 /nfs/dbraw/zinc/09/14/35/507091435.db2.gz BFXFUINXEMHASG-LJQANCHMSA-N 1 1 367.449 3.118 20 5 FGBDMO C[C@]12CCC[N@H+]1C[C@@H](c1noc(-c3ccc([N+](=O)[O-])cc3Cl)n1)OC2 ZINC000584020323 507105366 /nfs/dbraw/zinc/10/53/66/507105366.db2.gz XGQLRBRTZDEKHE-XJKSGUPXSA-N 1 1 364.789 3.224 20 5 FGBDMO COc1cc(C[NH2+]Cc2ncc[nH]2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000610150931 507117019 /nfs/dbraw/zinc/11/70/19/507117019.db2.gz NJXYZKSSLLDVGX-UHFFFAOYSA-N 1 1 368.393 3.195 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000597859550 507137781 /nfs/dbraw/zinc/13/77/81/507137781.db2.gz FMIFOIXZZNZDKH-NSHDSACASA-N 1 1 373.375 3.464 20 5 FGBDMO C[C@@H](C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000597860213 507137869 /nfs/dbraw/zinc/13/78/69/507137869.db2.gz LYYZBYKYNFXXKX-CHWSQXEVSA-N 1 1 351.422 3.074 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000597858146 507137917 /nfs/dbraw/zinc/13/79/17/507137917.db2.gz KKBQOKVMFYQTNC-LLVKDONJSA-N 1 1 359.348 3.216 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000597859624 507137974 /nfs/dbraw/zinc/13/79/74/507137974.db2.gz WNSXMQZJMUPMQC-CYBMUJFWSA-N 1 1 351.422 3.001 20 5 FGBDMO CC1CCN(c2ccc(C(=O)N[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2[N+](=O)[O-])CC1 ZINC000610208516 507139551 /nfs/dbraw/zinc/13/95/51/507139551.db2.gz BELSAVGZTZRSMB-RDJZCZTQSA-N 1 1 374.485 3.044 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCSC3(CCC3)CC1)OCCO2 ZINC000591263254 507173368 /nfs/dbraw/zinc/17/33/68/507173368.db2.gz IWLNIWAUFHQNPP-UHFFFAOYSA-N 1 1 350.440 3.228 20 5 FGBDMO Cc1cccc(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000610296613 507183209 /nfs/dbraw/zinc/18/32/09/507183209.db2.gz 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CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000598220042 507323315 /nfs/dbraw/zinc/32/33/15/507323315.db2.gz OCTJNSTYYDKJHD-ZDUSSCGKSA-N 1 1 363.483 3.454 20 5 FGBDMO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000598222071 507324669 /nfs/dbraw/zinc/32/46/69/507324669.db2.gz ZUHYHXDLGASVOC-LBPRGKRZSA-N 1 1 351.834 3.385 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000584520865 507390664 /nfs/dbraw/zinc/39/06/64/507390664.db2.gz KCRTYLZFGQJRHY-WBVHZDCISA-N 1 1 356.426 3.109 20 5 FGBDMO Cc1noc(CN2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000595286252 507448123 /nfs/dbraw/zinc/44/81/23/507448123.db2.gz AUDXBBIYZBNJDI-UHFFFAOYSA-N 1 1 364.833 3.253 20 5 FGBDMO Cc1noc(CN2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000595286252 507448132 /nfs/dbraw/zinc/44/81/32/507448132.db2.gz AUDXBBIYZBNJDI-UHFFFAOYSA-N 1 1 364.833 3.253 20 5 FGBDMO CC1(C)C[C@H]([NH+]2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CO1 ZINC000595288911 507448761 /nfs/dbraw/zinc/44/87/61/507448761.db2.gz AXKZHDBHGITSHV-ZDUSSCGKSA-N 1 1 373.375 3.303 20 5 FGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000595299620 507453009 /nfs/dbraw/zinc/45/30/09/507453009.db2.gz WJMWIEBMEDKXBS-OAHLLOKOSA-N 1 1 373.432 3.431 20 5 FGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000595299620 507453016 /nfs/dbraw/zinc/45/30/16/507453016.db2.gz WJMWIEBMEDKXBS-OAHLLOKOSA-N 1 1 373.432 3.431 20 5 FGBDMO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595312518 507457936 /nfs/dbraw/zinc/45/79/36/507457936.db2.gz ZGIBNWQGHNGQMI-UHFFFAOYSA-N 1 1 359.401 3.458 20 5 FGBDMO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595312518 507457940 /nfs/dbraw/zinc/45/79/40/507457940.db2.gz ZGIBNWQGHNGQMI-UHFFFAOYSA-N 1 1 359.401 3.458 20 5 FGBDMO Cc1noc(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000595341532 507466483 /nfs/dbraw/zinc/46/64/83/507466483.db2.gz CEKCASPLQUFWSP-RHSMWYFYSA-N 1 1 358.442 3.376 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3nsc4ccccc34)C2)nc1 ZINC000595371559 507474444 /nfs/dbraw/zinc/47/44/44/507474444.db2.gz OIIKGXKSTIBDQE-GFCCVEGCSA-N 1 1 355.423 3.286 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3nsc4ccccc34)C2)nc1 ZINC000595371559 507474454 /nfs/dbraw/zinc/47/44/54/507474454.db2.gz OIIKGXKSTIBDQE-GFCCVEGCSA-N 1 1 355.423 3.286 20 5 FGBDMO Cc1noc(C[N@@H+]2CCC[C@@H]2Cn2c(C)nc3ccccc32)c1[N+](=O)[O-] ZINC000595387526 507479368 /nfs/dbraw/zinc/47/93/68/507479368.db2.gz CVXUVAXAYDMOQI-CQSZACIVSA-N 1 1 355.398 3.214 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@H]3[C@H]3CCCOC3)o2)cc1 ZINC000592134270 507497604 /nfs/dbraw/zinc/49/76/04/507497604.db2.gz OZWOSQPPXKZJOB-HOCLYGCPSA-N 1 1 358.398 3.036 20 5 FGBDMO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000595476338 507519372 /nfs/dbraw/zinc/51/93/72/507519372.db2.gz NXDSVQFMDGGJER-LBPRGKRZSA-N 1 1 366.414 3.378 20 5 FGBDMO COc1ccc(OCC[N@H+]2CCC[C@@H](c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC000595503202 507534249 /nfs/dbraw/zinc/53/42/49/507534249.db2.gz YGFLCOFXURUBDZ-OAHLLOKOSA-N 1 1 357.410 3.257 20 5 FGBDMO C[N@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 ZINC000611201665 507559696 /nfs/dbraw/zinc/55/96/96/507559696.db2.gz VQFUZUYNXDTUOG-ZDUSSCGKSA-N 1 1 363.483 3.454 20 5 FGBDMO COc1cc(C[N@H+]2C[C@]3(C)COC[C@]3(C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000595691125 507628402 /nfs/dbraw/zinc/62/84/02/507628402.db2.gz ZFJSIIOGGIDYBC-CALCHBBNSA-N 1 1 372.368 3.063 20 5 FGBDMO COc1cc(C[N@@H+]2C[C@]3(C)COC[C@]3(C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000595691125 507628412 /nfs/dbraw/zinc/62/84/12/507628412.db2.gz ZFJSIIOGGIDYBC-CALCHBBNSA-N 1 1 372.368 3.063 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+][C@H]1C[C@@H](OC(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000592395524 507637135 /nfs/dbraw/zinc/63/71/35/507637135.db2.gz COBSAGJWBUBEDT-UAGQMJEPSA-N 1 1 358.442 3.353 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000595751391 507666319 /nfs/dbraw/zinc/66/63/19/507666319.db2.gz VVICQFCWQBZRBL-HNNXBMFYSA-N 1 1 355.232 3.094 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000595751391 507666313 /nfs/dbraw/zinc/66/63/13/507666313.db2.gz VVICQFCWQBZRBL-HNNXBMFYSA-N 1 1 355.232 3.094 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595786508 507683438 /nfs/dbraw/zinc/68/34/38/507683438.db2.gz ATEHEFMFXNGPDD-IIDMSEBBSA-N 1 1 361.442 3.203 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595788319 507685451 /nfs/dbraw/zinc/68/54/51/507685451.db2.gz IYMLSFDABFUSQQ-MAUKXSAKSA-N 1 1 361.442 3.123 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595788319 507685458 /nfs/dbraw/zinc/68/54/58/507685458.db2.gz IYMLSFDABFUSQQ-MAUKXSAKSA-N 1 1 361.442 3.123 20 5 FGBDMO COc1ccc(OCC[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c([N+](=O)[O-])c1 ZINC000595786939 507685838 /nfs/dbraw/zinc/68/58/38/507685838.db2.gz CZANTUCWIOGXBV-QAPCUYQASA-N 1 1 364.442 3.263 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595790398 507686501 /nfs/dbraw/zinc/68/65/01/507686501.db2.gz PRFDNQMOOMTWKK-DOTOQJQBSA-N 1 1 361.442 3.123 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595790398 507686506 /nfs/dbraw/zinc/68/65/06/507686506.db2.gz PRFDNQMOOMTWKK-DOTOQJQBSA-N 1 1 361.442 3.123 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000595790400 507686671 /nfs/dbraw/zinc/68/66/71/507686671.db2.gz PRFDNQMOOMTWKK-RDJZCZTQSA-N 1 1 361.442 3.123 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000595790400 507686674 /nfs/dbraw/zinc/68/66/74/507686674.db2.gz PRFDNQMOOMTWKK-RDJZCZTQSA-N 1 1 361.442 3.123 20 5 FGBDMO CN(c1ccccc1)[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000595826738 507704106 /nfs/dbraw/zinc/70/41/06/507704106.db2.gz OOXRYIVVYOLFMM-SFHVURJKSA-N 1 1 369.421 3.172 20 5 FGBDMO O=C(CC[N@H+]1CC[C@@H](Oc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595832258 507707331 /nfs/dbraw/zinc/70/73/31/507707331.db2.gz VJVRABNYKVPYKD-GOSISDBHSA-N 1 1 355.394 3.077 20 5 FGBDMO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602472362 507721042 /nfs/dbraw/zinc/72/10/42/507721042.db2.gz GFNXDYVMLIOLQG-AWEZNQCLSA-N 1 1 371.359 3.200 20 5 FGBDMO O=C1CCCN1[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602472362 507721045 /nfs/dbraw/zinc/72/10/45/507721045.db2.gz GFNXDYVMLIOLQG-AWEZNQCLSA-N 1 1 371.359 3.200 20 5 FGBDMO COc1cc(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)ccn1 ZINC000602540396 507742576 /nfs/dbraw/zinc/74/25/76/507742576.db2.gz OAWAUFSSBOCLBW-UHFFFAOYSA-N 1 1 358.217 3.112 20 5 FGBDMO Cc1ccc(CNC(=O)Cc2cccc([N+](=O)[O-])c2C)c(N2CCCC2)[nH+]1 ZINC000611572188 507746254 /nfs/dbraw/zinc/74/62/54/507746254.db2.gz LFIYHVIWEAZDQL-UHFFFAOYSA-N 1 1 368.437 3.066 20 5 FGBDMO C[C@H](CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000588104710 507764175 /nfs/dbraw/zinc/76/41/75/507764175.db2.gz XLKHYHNJWFCFSY-HZPDHXFCSA-N 1 1 362.474 3.042 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)ccc1Br ZINC000121201969 700668075 /nfs/dbraw/zinc/66/80/75/700668075.db2.gz JFWFBJRHCVAEPX-GFCCVEGCSA-N 1 1 365.231 3.460 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)ccc1Br ZINC000121201969 700668077 /nfs/dbraw/zinc/66/80/77/700668077.db2.gz JFWFBJRHCVAEPX-GFCCVEGCSA-N 1 1 365.231 3.460 20 5 FGBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000129219171 700785048 /nfs/dbraw/zinc/78/50/48/700785048.db2.gz UGSMHOZFAPRBPL-OCCSQVGLSA-N 1 1 362.455 3.246 20 5 FGBDMO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000153623916 705006159 /nfs/dbraw/zinc/00/61/59/705006159.db2.gz HGHWHQKYMLNWPU-CQSZACIVSA-N 1 1 353.850 3.377 20 5 FGBDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000153623916 705006165 /nfs/dbraw/zinc/00/61/65/705006165.db2.gz HGHWHQKYMLNWPU-CQSZACIVSA-N 1 1 353.850 3.377 20 5 FGBDMO C[N@H+](CCc1nccs1)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000157120539 705144349 /nfs/dbraw/zinc/14/43/49/705144349.db2.gz MTJMUXCLZIKWPP-UHFFFAOYSA-N 1 1 350.425 3.460 20 5 FGBDMO C[N@@H+](CCc1nccs1)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000157120539 705144354 /nfs/dbraw/zinc/14/43/54/705144354.db2.gz MTJMUXCLZIKWPP-UHFFFAOYSA-N 1 1 350.425 3.460 20 5 FGBDMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000173488104 705461250 /nfs/dbraw/zinc/46/12/50/705461250.db2.gz FBAVXJHLFHXSQK-GOEBONIOSA-N 1 1 361.471 3.417 20 5 FGBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756950947 722972319 /nfs/dbraw/zinc/97/23/19/722972319.db2.gz IHOBXBXFSZRAIN-QWHCGFSZSA-N 1 1 368.865 3.168 20 5 FGBDMO O=[N+]([O-])c1cnc(Cl)nc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164628736 719054896 /nfs/dbraw/zinc/05/48/96/719054896.db2.gz ZOPSXHXMUPTMFG-ZBFHGGJFSA-N 1 1 373.844 3.139 20 5 FGBDMO COc1cnc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c([N+](=O)[O-])c1 ZINC001164624294 719075227 /nfs/dbraw/zinc/07/52/27/719075227.db2.gz KWEHETJXXQEOJO-LPHOPBHVSA-N 1 1 368.437 3.099 20 5 FGBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC001164636427 719248216 /nfs/dbraw/zinc/24/82/16/719248216.db2.gz SRXUBVPNLRHTLG-VXGBXAGGSA-N 1 1 361.833 3.234 20 5 FGBDMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc([N+](=O)[O-])ccn2)CC3)cs1 ZINC001164691223 719804023 /nfs/dbraw/zinc/80/40/23/719804023.db2.gz GDUVWHBOQFIWIU-UHFFFAOYSA-N 1 1 373.482 3.390 20 5 FGBDMO Cc1c(C)c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)ncc1[N+](=O)[O-] ZINC001164863452 720968634 /nfs/dbraw/zinc/96/86/34/720968634.db2.gz VQAIFAFVNRXHSZ-OAHLLOKOSA-N 1 1 372.473 3.225 20 5 FGBDMO COc1ccc2c(c1)nc(C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)n2C ZINC000783676516 724777922 /nfs/dbraw/zinc/77/79/22/724777922.db2.gz LDQUUKVFZRBKCB-UHFFFAOYSA-N 1 1 360.801 3.433 20 5 FGBDMO CCC[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H]1CCCCO1 ZINC000730261023 722466514 /nfs/dbraw/zinc/46/65/14/722466514.db2.gz FCEJHUKQTNDXPC-AWEZNQCLSA-N 1 1 369.849 3.468 20 5 FGBDMO CCC[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H]1CCCCO1 ZINC000730261023 722466515 /nfs/dbraw/zinc/46/65/15/722466515.db2.gz FCEJHUKQTNDXPC-AWEZNQCLSA-N 1 1 369.849 3.468 20 5 FGBDMO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)c2ccc(F)cc2)ccc1Br ZINC000734851070 722510701 /nfs/dbraw/zinc/51/07/01/722510701.db2.gz UCTBCMBBLQCWOM-CQSZACIVSA-N 1 1 369.190 3.320 20 5 FGBDMO O=[N+]([O-])c1ccc2oc(=S)n(C[N@@H+]3CCC[C@H](n4ccnc4)C3)c2c1 ZINC000738158578 722528949 /nfs/dbraw/zinc/52/89/49/722528949.db2.gz MQZLBNTVCVKKRG-ZDUSSCGKSA-N 1 1 359.411 3.363 20 5 FGBDMO O=[N+]([O-])c1ccc2oc(=S)n(C[N@H+]3CCC[C@H](n4ccnc4)C3)c2c1 ZINC000738158578 722528950 /nfs/dbraw/zinc/52/89/50/722528950.db2.gz MQZLBNTVCVKKRG-ZDUSSCGKSA-N 1 1 359.411 3.363 20 5 FGBDMO C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000752083233 722844315 /nfs/dbraw/zinc/84/43/15/722844315.db2.gz GXDXGBUMJQGDAQ-RYUDHWBXSA-N 1 1 355.460 3.391 20 5 FGBDMO C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000752083233 722844316 /nfs/dbraw/zinc/84/43/16/722844316.db2.gz GXDXGBUMJQGDAQ-RYUDHWBXSA-N 1 1 355.460 3.391 20 5 FGBDMO COCC[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccco1 ZINC000754461393 722939460 /nfs/dbraw/zinc/93/94/60/722939460.db2.gz ZKKXCRCVRCNTSS-GFCCVEGCSA-N 1 1 367.789 3.147 20 5 FGBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000761114936 723123452 /nfs/dbraw/zinc/12/34/52/723123452.db2.gz YIPGGNWHTFSQKY-ZDUSSCGKSA-N 1 1 354.834 3.266 20 5 FGBDMO CC(C)[C@H]1C[N@@H+](C)CCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000761216701 723133773 /nfs/dbraw/zinc/13/37/73/723133773.db2.gz PQESLTDEMXJRKN-OAHLLOKOSA-N 1 1 356.264 3.129 20 5 FGBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000790515612 723147658 /nfs/dbraw/zinc/14/76/58/723147658.db2.gz DNTFAWVNVTWPPA-HNNXBMFYSA-N 1 1 368.865 3.168 20 5 FGBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790571159 723154530 /nfs/dbraw/zinc/15/45/30/723154530.db2.gz CTKXHTROJFBMBL-RYUDHWBXSA-N 1 1 371.840 3.166 20 5 FGBDMO Cc1noc(C2(C)CC[NH+](Cc3ccc([N+](=O)[O-])c(Cl)c3)CC2)n1 ZINC000761533501 723163216 /nfs/dbraw/zinc/16/32/16/723163216.db2.gz RBOBZYKJCMIGGF-UHFFFAOYSA-N 1 1 350.806 3.493 20 5 FGBDMO C[C@H]1C[N@@H+](CCCNc2nc3ccc([N+](=O)[O-])cc3s2)CCCO1 ZINC000763056297 723307389 /nfs/dbraw/zinc/30/73/89/723307389.db2.gz JKLFQABARMLYCR-LBPRGKRZSA-N 1 1 350.444 3.117 20 5 FGBDMO O=[N+]([O-])c1ccc(Br)c2c1C[N@H+](CC1CCOCC1)CC2 ZINC000792892853 723378168 /nfs/dbraw/zinc/37/81/68/723378168.db2.gz SCXUBLQCQOHWMC-UHFFFAOYSA-N 1 1 355.232 3.142 20 5 FGBDMO O=[N+]([O-])c1ccc(Br)c2c1C[N@@H+](CC1CCOCC1)CC2 ZINC000792892853 723378173 /nfs/dbraw/zinc/37/81/73/723378173.db2.gz SCXUBLQCQOHWMC-UHFFFAOYSA-N 1 1 355.232 3.142 20 5 FGBDMO C[C@]12CC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@H]1C2(Cl)Cl ZINC000792901331 723379713 /nfs/dbraw/zinc/37/97/13/723379713.db2.gz BSABYXMNPDVEDU-HIFRSBDPSA-N 1 1 372.252 3.439 20 5 FGBDMO C[N@@H+](CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O)C1CCCC1 ZINC000795400998 723588145 /nfs/dbraw/zinc/58/81/45/723588145.db2.gz MWKQBPARMAXAAC-UHFFFAOYSA-N 1 1 368.231 3.145 20 5 FGBDMO Cc1nn(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c(C)c1Br ZINC000795643288 723603927 /nfs/dbraw/zinc/60/39/27/723603927.db2.gz COYSLDRRPYUWDJ-UHFFFAOYSA-N 1 1 367.247 3.303 20 5 FGBDMO Cc1nn(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c(C)c1Br ZINC000795643288 723603928 /nfs/dbraw/zinc/60/39/28/723603928.db2.gz COYSLDRRPYUWDJ-UHFFFAOYSA-N 1 1 367.247 3.303 20 5 FGBDMO Cc1[nH+]ccn1CCCOC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000767644245 723626608 /nfs/dbraw/zinc/62/66/08/723626608.db2.gz ZLQFOWSUDYYCLT-UHFFFAOYSA-N 1 1 367.789 3.156 20 5 FGBDMO CCOc1cc(N2CC[NH+](C[C@@H]3CC3(Cl)Cl)CC2)ccc1[N+](=O)[O-] ZINC000796465351 723638731 /nfs/dbraw/zinc/63/87/31/723638731.db2.gz WWAYPUGWTWCSTO-LBPRGKRZSA-N 1 1 374.268 3.309 20 5 FGBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1 ZINC000776270250 724126668 /nfs/dbraw/zinc/12/66/68/724126668.db2.gz BEVBYOWNAICSBB-FUHWJXTLSA-N 1 1 362.451 3.371 20 5 FGBDMO C[N@@H+](CCOc1cccc(Cl)c1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776276519 724127252 /nfs/dbraw/zinc/12/72/52/724127252.db2.gz NNDSAZFNAAHYKK-QGZVFWFLSA-N 1 1 350.802 3.292 20 5 FGBDMO CC[N@@H+](CCc1nccs1)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777958388 724275670 /nfs/dbraw/zinc/27/56/70/724275670.db2.gz OUKVRDHQSNZZBI-UHFFFAOYSA-N 1 1 357.439 3.437 20 5 FGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)c2ccc(Br)cc2)cc1F ZINC000801539040 724311355 /nfs/dbraw/zinc/31/13/55/724311355.db2.gz TYURFCVJYGOWNF-CQSZACIVSA-N 1 1 369.190 3.320 20 5 FGBDMO CC1(C)CC[N@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)CCS1 ZINC000788378898 725061617 /nfs/dbraw/zinc/06/16/17/725061617.db2.gz UESJEIPEPOCPII-UHFFFAOYSA-N 1 1 364.471 3.012 20 5 FGBDMO CC1(C)CC[N@@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)CCS1 ZINC000788378898 725061620 /nfs/dbraw/zinc/06/16/20/725061620.db2.gz UESJEIPEPOCPII-UHFFFAOYSA-N 1 1 364.471 3.012 20 5 FGBDMO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000788476028 725066519 /nfs/dbraw/zinc/06/65/19/725066519.db2.gz MHLSASNOGOBTNA-UKRRQHHQSA-N 1 1 351.422 3.251 20 5 FGBDMO Cc1[nH+]ccn1C[C@H](C)OC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000810615184 725317916 /nfs/dbraw/zinc/31/79/16/725317916.db2.gz HWPDBOMOPHSDFH-VIFPVBQESA-N 1 1 368.187 3.108 20 5 FGBDMO CC(C)(C)N1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1=O ZINC000811483162 725368527 /nfs/dbraw/zinc/36/85/27/725368527.db2.gz CXJZAGLSXZRUCM-LLVKDONJSA-N 1 1 360.241 3.391 20 5 FGBDMO COc1cc2c(cc1Cl)C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000815259629 727059200 /nfs/dbraw/zinc/05/92/00/727059200.db2.gz CTBXDZUQCFBCGH-KRWDZBQOSA-N 1 1 362.813 3.349 20 5 FGBDMO COc1cc2c(cc1Cl)C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000815259629 727059204 /nfs/dbraw/zinc/05/92/04/727059204.db2.gz CTBXDZUQCFBCGH-KRWDZBQOSA-N 1 1 362.813 3.349 20 5 FGBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000816901407 727203743 /nfs/dbraw/zinc/20/37/43/727203743.db2.gz LHOYKPHEYSCGID-XQQFMLRXSA-N 1 1 353.850 3.344 20 5 FGBDMO CC[N@H+]1CCCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000822564063 729194934 /nfs/dbraw/zinc/19/49/34/729194934.db2.gz WWVKUBXCQLKFOK-CYBMUJFWSA-N 1 1 353.850 3.124 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000827285837 729428016 /nfs/dbraw/zinc/42/80/16/729428016.db2.gz BCKIQEQFIDFPRR-XJKSGUPXSA-N 1 1 363.483 3.262 20 5 FGBDMO CCN1CC[NH+](CC(C)(C)Nc2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000829493188 729485203 /nfs/dbraw/zinc/48/52/03/729485203.db2.gz NHDVBZOWZSJQIA-UHFFFAOYSA-N 1 1 363.487 3.033 20 5 FGBDMO CC(C)(C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)C(C)(F)F ZINC000835456305 729891243 /nfs/dbraw/zinc/89/12/43/729891243.db2.gz BWKSXCTVVUUGMS-AWEZNQCLSA-N 1 1 356.369 3.394 20 5 FGBDMO CC(C)(C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)C(C)(F)F ZINC000835456305 729891245 /nfs/dbraw/zinc/89/12/45/729891245.db2.gz BWKSXCTVVUUGMS-AWEZNQCLSA-N 1 1 356.369 3.394 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@]3(CC3(F)F)C2)cccc1[N+](=O)[O-] ZINC000844438481 730718177 /nfs/dbraw/zinc/71/81/77/730718177.db2.gz QVWBBUXPQXDOLW-WBMJQRKESA-N 1 1 353.369 3.351 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@]3(CC3(F)F)C2)cccc1[N+](=O)[O-] ZINC000844438481 730718178 /nfs/dbraw/zinc/71/81/78/730718178.db2.gz QVWBBUXPQXDOLW-WBMJQRKESA-N 1 1 353.369 3.351 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@H]2CCCC[C@H]12 ZINC000852492984 731592514 /nfs/dbraw/zinc/59/25/14/731592514.db2.gz BUIWEPBYSSZTOL-FMKPAKJESA-N 1 1 350.390 3.288 20 5 FGBDMO Cn1cc[nH+]c1[C@@H]1CCCN(c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000853541412 731720196 /nfs/dbraw/zinc/72/01/96/731720196.db2.gz QEOYSCOYHKWFDQ-LLVKDONJSA-N 1 1 365.231 3.475 20 5 FGBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000860258991 732482884 /nfs/dbraw/zinc/48/28/84/732482884.db2.gz ALHYQXNUGOSZGC-ZDUSSCGKSA-N 1 1 352.822 3.387 20 5 FGBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)c1cc(F)c([N+](=O)[O-])cc1F ZINC000862630593 732857988 /nfs/dbraw/zinc/85/79/88/732857988.db2.gz ZZGQJFARLPOSTE-GFCCVEGCSA-N 1 1 353.369 3.010 20 5 FGBDMO C[C@@H]1C[N@@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](C)C1(F)F ZINC000863274321 732936962 /nfs/dbraw/zinc/93/69/62/732936962.db2.gz IWOVTQYFOYVCAY-TXEJJXNPSA-N 1 1 351.357 3.034 20 5 FGBDMO C[C@@H]1C[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](C)C1(F)F ZINC000863274321 732936966 /nfs/dbraw/zinc/93/69/66/732936966.db2.gz IWOVTQYFOYVCAY-TXEJJXNPSA-N 1 1 351.357 3.034 20 5 FGBDMO CN(Cc1ccc(Cl)s1)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867942312 733535808 /nfs/dbraw/zinc/53/58/08/733535808.db2.gz PGOPKYQZKAGARS-HNNXBMFYSA-N 1 1 353.831 3.142 20 5 FGBDMO Cn1cc(C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2cccs2)c([N+](=O)[O-])n1 ZINC000876803730 736146877 /nfs/dbraw/zinc/14/68/77/736146877.db2.gz KCBSJOLZOXNYQC-LSDHHAIUSA-N 1 1 364.471 3.258 20 5 FGBDMO COC[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878692317 736908137 /nfs/dbraw/zinc/90/81/37/736908137.db2.gz RQCYAJRPRKNSIZ-GFCCVEGCSA-N 1 1 366.805 3.299 20 5 FGBDMO COC[C@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878692317 736908139 /nfs/dbraw/zinc/90/81/39/736908139.db2.gz RQCYAJRPRKNSIZ-GFCCVEGCSA-N 1 1 366.805 3.299 20 5 FGBDMO COc1cccc2c1CC[C@]2(CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000880383509 737167939 /nfs/dbraw/zinc/16/79/39/737167939.db2.gz FMQIIZYNYXGMGG-GOSISDBHSA-N 1 1 362.813 3.180 20 5 FGBDMO Cc1csc(C[C@H]2CCC[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000886692359 739285463 /nfs/dbraw/zinc/28/54/63/739285463.db2.gz XCWVRKJFQWKQPL-PBHICJAKSA-N 1 1 361.467 3.348 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[N@H+](C1CC1)[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000891622735 739921485 /nfs/dbraw/zinc/92/14/85/739921485.db2.gz JFMBYEHGLXPWEP-DOTOQJQBSA-N 1 1 350.390 3.193 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[N@@H+](C1CC1)[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000891622735 739921489 /nfs/dbraw/zinc/92/14/89/739921489.db2.gz JFMBYEHGLXPWEP-DOTOQJQBSA-N 1 1 350.390 3.193 20 5 FGBDMO COc1ccc(C[NH2+]Cc2cnc(CC(F)(F)F)s2)cc1[N+](=O)[O-] ZINC000892714012 740035959 /nfs/dbraw/zinc/03/59/59/740035959.db2.gz LAKFHXOXKKMBPY-UHFFFAOYSA-N 1 1 361.345 3.455 20 5 FGBDMO COc1cc(Cl)ccc1C[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892974611 740064564 /nfs/dbraw/zinc/06/45/64/740064564.db2.gz DVYWCXPTMVFJJZ-UHFFFAOYSA-N 1 1 352.774 3.261 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)ccc1CNc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000894570044 742300124 /nfs/dbraw/zinc/30/01/24/742300124.db2.gz RSBHQBQKOPHNJR-KRWDZBQOSA-N 1 1 361.829 3.427 20 5 FGBDMO O=[N+]([O-])c1sc(C[NH2+]Cc2ccc(CCO)cc2)cc1Br ZINC000898169829 742752766 /nfs/dbraw/zinc/75/27/66/742752766.db2.gz QCGYEUOCPWCQOF-UHFFFAOYSA-N 1 1 371.256 3.243 20 5 FGBDMO COc1cc([C@H](C)[NH2+]Cc2cc(C(F)(F)F)nn2C)cc([N+](=O)[O-])c1 ZINC000903224153 743825340 /nfs/dbraw/zinc/82/53/40/743825340.db2.gz QSJNOXSRRBJAJU-VIFPVBQESA-N 1 1 358.320 3.207 20 5 FGBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)CCc3ccc([N+](=O)[O-])cc3Cl)CC[C@H]21 ZINC000907038113 744180831 /nfs/dbraw/zinc/18/08/31/744180831.db2.gz QWLUPAUWHPXFMA-RHSMWYFYSA-N 1 1 365.861 3.124 20 5 FGBDMO CCc1[nH+]ccn1[C@H](C)CC(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913386237 757506822 /nfs/dbraw/zinc/50/68/22/757506822.db2.gz RJDYAGJSNQJZGE-SNVBAGLBSA-N 1 1 368.796 3.414 20 5 FGBDMO C[C@H](CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C)C1 ZINC000915308404 757917481 /nfs/dbraw/zinc/91/74/81/757917481.db2.gz GNHAHFCWQSRXTO-VXGBXAGGSA-N 1 1 354.838 3.490 20 5 FGBDMO CCOc1cc(C[NH+]2CCC(CO)(C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000932828863 761256295 /nfs/dbraw/zinc/25/62/95/761256295.db2.gz UCEDUNYGQQKWCZ-UHFFFAOYSA-N 1 1 362.348 3.130 20 5 FGBDMO O=C(c1cccc([N+](=O)[O-])c1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000054122112 210206430 /nfs/dbraw/zinc/20/64/30/210206430.db2.gz RWITYYREEDOIED-UHFFFAOYSA-N 1 1 357.385 3.082 20 5 FGBDMO O=C(c1cccc([N+](=O)[O-])c1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000054122112 210206437 /nfs/dbraw/zinc/20/64/37/210206437.db2.gz RWITYYREEDOIED-UHFFFAOYSA-N 1 1 357.385 3.082 20 5 FGBDMO Cc1c[nH+]ccc1OC1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000278579757 257375082 /nfs/dbraw/zinc/37/50/82/257375082.db2.gz CXKTWXRLXSITOT-UHFFFAOYSA-N 1 1 372.381 3.250 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNc3ncc([N+](=O)[O-])cn3)cc2)C1 ZINC000302146429 257385085 /nfs/dbraw/zinc/38/50/85/257385085.db2.gz IAFFVXVREWADST-GASCZTMLSA-N 1 1 355.442 3.475 20 5 FGBDMO CCOc1cc(NCc2ccccc2C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000080764728 493776061 /nfs/dbraw/zinc/77/60/61/493776061.db2.gz CQFZAIIJOACEKM-UHFFFAOYSA-N 1 1 371.437 3.438 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000057769756 493795811 /nfs/dbraw/zinc/79/58/11/493795811.db2.gz YSSCVFWQHQWGMY-MRXNPFEDSA-N 1 1 374.485 3.189 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)c1 ZINC000081122558 493836288 /nfs/dbraw/zinc/83/62/88/493836288.db2.gz KCTHXRARYXLVMU-QGZVFWFLSA-N 1 1 353.422 3.250 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCCOc1ccccc1 ZINC000029852163 493862295 /nfs/dbraw/zinc/86/22/95/493862295.db2.gz XQZQLEYVCOADNW-UHFFFAOYSA-N 1 1 357.410 3.243 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCCOc1ccccc1 ZINC000029852163 493862298 /nfs/dbraw/zinc/86/22/98/493862298.db2.gz XQZQLEYVCOADNW-UHFFFAOYSA-N 1 1 357.410 3.243 20 5 FGBDMO COc1ccc(OC)c(C[NH+]2CCN(c3ccc([N+](=O)[O-])c(C)c3)CC2)c1 ZINC000059373120 493905744 /nfs/dbraw/zinc/90/57/44/493905744.db2.gz HZOWSZLMRXAZHH-UHFFFAOYSA-N 1 1 371.437 3.243 20 5 FGBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)c1cc2ccccc2c2cccnc12 ZINC000069504980 493977839 /nfs/dbraw/zinc/97/78/39/493977839.db2.gz UFGDTXPGSWDLKM-KRWDZBQOSA-N 1 1 363.461 3.229 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083177810 494003897 /nfs/dbraw/zinc/00/38/97/494003897.db2.gz ZGPLRPSYPMVJDV-OAHLLOKOSA-N 1 1 366.421 3.442 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083220062 494010068 /nfs/dbraw/zinc/01/00/68/494010068.db2.gz ZGPLRPSYPMVJDV-HNNXBMFYSA-N 1 1 366.421 3.442 20 5 FGBDMO COc1ccc(C[N@@H+](C)Cc2ccc(C(=O)NC3CC3)cc2)cc1[N+](=O)[O-] ZINC000052561195 494041116 /nfs/dbraw/zinc/04/11/16/494041116.db2.gz NOYFCLZCFUCRLI-UHFFFAOYSA-N 1 1 369.421 3.128 20 5 FGBDMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000070702173 494049466 /nfs/dbraw/zinc/04/94/66/494049466.db2.gz IMQJNQOOSFGCKX-OAHLLOKOSA-N 1 1 363.801 3.408 20 5 FGBDMO CC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])Cc1ccc(OC)cc1 ZINC000063508124 494061597 /nfs/dbraw/zinc/06/15/97/494061597.db2.gz DBOISNTZOHKKIF-UHFFFAOYSA-N 1 1 357.410 3.372 20 5 FGBDMO CC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])Cc1ccc(OC)cc1 ZINC000063508124 494061600 /nfs/dbraw/zinc/06/16/00/494061600.db2.gz DBOISNTZOHKKIF-UHFFFAOYSA-N 1 1 357.410 3.372 20 5 FGBDMO Cc1ccc([C@@H](C)[N@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000052907499 494074543 /nfs/dbraw/zinc/07/45/43/494074543.db2.gz LIRXSFNQDUWLMX-CYBMUJFWSA-N 1 1 371.393 3.263 20 5 FGBDMO Cc1ccc([C@@H](C)[N@@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000052907499 494074549 /nfs/dbraw/zinc/07/45/49/494074549.db2.gz LIRXSFNQDUWLMX-CYBMUJFWSA-N 1 1 371.393 3.263 20 5 FGBDMO CC[N@@H+](CCc1ccccc1)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000052969283 494080290 /nfs/dbraw/zinc/08/02/90/494080290.db2.gz XPEHGRJIHJYWMA-UHFFFAOYSA-N 1 1 353.422 3.049 20 5 FGBDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000077510640 494099941 /nfs/dbraw/zinc/09/99/41/494099941.db2.gz RMUYVWIFMAGMEJ-UHFFFAOYSA-N 1 1 351.422 3.318 20 5 FGBDMO [NH3+]C[C@@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC12CCOCC2 ZINC000580192286 505700565 /nfs/dbraw/zinc/70/05/65/505700565.db2.gz HXNSGMZBAQNQIU-OAHLLOKOSA-N 1 1 371.437 3.042 20 5 FGBDMO Cc1cccc(C[NH+]2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000087002699 494161505 /nfs/dbraw/zinc/16/15/05/494161505.db2.gz OHRINRULDINZCY-UHFFFAOYSA-N 1 1 367.449 3.180 20 5 FGBDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000065252860 494183492 /nfs/dbraw/zinc/18/34/92/494183492.db2.gz TXIAROHYWNEABW-GJZGRUSLSA-N 1 1 363.458 3.120 20 5 FGBDMO Cc1cccc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000054122072 494197180 /nfs/dbraw/zinc/19/71/80/494197180.db2.gz QEQHKYABUIHZKN-UHFFFAOYSA-N 1 1 371.412 3.390 20 5 FGBDMO Cc1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000054122072 494197184 /nfs/dbraw/zinc/19/71/84/494197184.db2.gz QEQHKYABUIHZKN-UHFFFAOYSA-N 1 1 371.412 3.390 20 5 FGBDMO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000072773287 494249859 /nfs/dbraw/zinc/24/98/59/494249859.db2.gz XPNNLBNYAJNQAY-XIKOKIGWSA-N 1 1 357.385 3.416 20 5 FGBDMO C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000072773287 494249862 /nfs/dbraw/zinc/24/98/62/494249862.db2.gz XPNNLBNYAJNQAY-XIKOKIGWSA-N 1 1 357.385 3.416 20 5 FGBDMO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000065868962 494250082 /nfs/dbraw/zinc/25/00/82/494250082.db2.gz CGAPDGXRENWVAN-QGZVFWFLSA-N 1 1 371.412 3.262 20 5 FGBDMO CC[N@H+](C)C[C@@H]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000072860041 494268220 /nfs/dbraw/zinc/26/82/20/494268220.db2.gz ODJDORQJYNTFKG-HNNXBMFYSA-N 1 1 358.442 3.066 20 5 FGBDMO CC[N@@H+](C)C[C@@H]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000072860041 494268225 /nfs/dbraw/zinc/26/82/25/494268225.db2.gz ODJDORQJYNTFKG-HNNXBMFYSA-N 1 1 358.442 3.066 20 5 FGBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000089306164 494287063 /nfs/dbraw/zinc/28/70/63/494287063.db2.gz DPMHZANJDXHMTJ-IBGZPJMESA-N 1 1 367.449 3.166 20 5 FGBDMO CN(CC[C@H]1CCCC[N@H+]1C)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000078456253 494298694 /nfs/dbraw/zinc/29/86/94/494298694.db2.gz RPFUSONRNZYICQ-MRXNPFEDSA-N 1 1 374.485 3.141 20 5 FGBDMO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000015509311 494356704 /nfs/dbraw/zinc/35/67/04/494356704.db2.gz YUTBHGIYILLRQJ-OLZOCXBDSA-N 1 1 373.409 3.290 20 5 FGBDMO CC(C)(C)[C@@H]1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000078759600 494356839 /nfs/dbraw/zinc/35/68/39/494356839.db2.gz FOJQCMWLBWHXCN-WBVHZDCISA-N 1 1 350.459 3.483 20 5 FGBDMO C[N@H+]1CCC[C@@H]2CN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@@H]21 ZINC000089909994 494398865 /nfs/dbraw/zinc/39/88/65/494398865.db2.gz FGFLXUMJFZYBQV-QAPCUYQASA-N 1 1 356.426 3.166 20 5 FGBDMO C[N@@H+](CCC(=O)N1CCc2sccc2C1)Cc1ccccc1[N+](=O)[O-] ZINC000055901857 494424972 /nfs/dbraw/zinc/42/49/72/494424972.db2.gz INNMQUNNTQCBRR-UHFFFAOYSA-N 1 1 359.451 3.063 20 5 FGBDMO C[N@H+](CCc1cccc2ccccc21)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090524345 494478507 /nfs/dbraw/zinc/47/85/07/494478507.db2.gz JTMFIXYHLYOKTM-UHFFFAOYSA-N 1 1 351.406 3.084 20 5 FGBDMO O=C(C[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000571400808 505725349 /nfs/dbraw/zinc/72/53/49/505725349.db2.gz YXZIHQCPZMQTHY-IUODEOHRSA-N 1 1 367.833 3.078 20 5 FGBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000046615472 494542898 /nfs/dbraw/zinc/54/28/98/494542898.db2.gz CJIUJFWKBINYEJ-AWEZNQCLSA-N 1 1 357.410 3.492 20 5 FGBDMO Cc1cc(NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)ncc1[N+](=O)[O-] ZINC000074743161 494588009 /nfs/dbraw/zinc/58/80/09/494588009.db2.gz BMUXBFCAELUCOJ-OAHLLOKOSA-N 1 1 356.426 3.131 20 5 FGBDMO Cc1cc(NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)ncc1[N+](=O)[O-] ZINC000074743161 494588015 /nfs/dbraw/zinc/58/80/15/494588015.db2.gz BMUXBFCAELUCOJ-OAHLLOKOSA-N 1 1 356.426 3.131 20 5 FGBDMO COCc1ccc([C@H]2CCC[N@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000131381118 494601169 /nfs/dbraw/zinc/60/11/69/494601169.db2.gz BKPGGGYWPQYJGM-QGZVFWFLSA-N 1 1 373.409 3.500 20 5 FGBDMO CCOc1ccc(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000046991291 494606881 /nfs/dbraw/zinc/60/68/81/494606881.db2.gz BRKHGMTVXIPNGG-HNNXBMFYSA-N 1 1 363.458 3.235 20 5 FGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]2c2ccccc2Br)n1 ZINC000126040171 494615958 /nfs/dbraw/zinc/61/59/58/494615958.db2.gz JLJMKVYUIZECOX-CQSZACIVSA-N 1 1 365.231 3.391 20 5 FGBDMO CCC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCc2ccccc2C1 ZINC000115816947 494629548 /nfs/dbraw/zinc/62/95/48/494629548.db2.gz BSTJLPQBHYNERB-LJQANCHMSA-N 1 1 367.449 3.463 20 5 FGBDMO C[C@H]1C[C@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000080231140 494644885 /nfs/dbraw/zinc/64/48/85/494644885.db2.gz RBEPGALKTVKBDK-WMLDXEAASA-N 1 1 368.437 3.159 20 5 FGBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000025439627 494740600 /nfs/dbraw/zinc/74/06/00/494740600.db2.gz WFDRPZPMRQOXMV-INIZCTEOSA-N 1 1 369.421 3.249 20 5 FGBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000025439627 494740610 /nfs/dbraw/zinc/74/06/10/494740610.db2.gz WFDRPZPMRQOXMV-INIZCTEOSA-N 1 1 369.421 3.249 20 5 FGBDMO C[C@@H]1C[C@@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000131869960 494759189 /nfs/dbraw/zinc/75/91/89/494759189.db2.gz FJAMZESQBCKOOX-ZBFHGGJFSA-N 1 1 371.412 3.374 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000116412276 494777566 /nfs/dbraw/zinc/77/75/66/494777566.db2.gz DYCJWEOWNJVWTG-KSSFIOAISA-N 1 1 369.425 3.022 20 5 FGBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000108808750 494789747 /nfs/dbraw/zinc/78/97/47/494789747.db2.gz YNSAMELUEZCFPV-OAHLLOKOSA-N 1 1 362.474 3.024 20 5 FGBDMO COc1ccc(-c2nnc(C[N@H+](C)CCc3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000577511305 505742195 /nfs/dbraw/zinc/74/21/95/505742195.db2.gz DFDCDZHHKSVBPQ-UHFFFAOYSA-N 1 1 368.393 3.328 20 5 FGBDMO COc1ccc(-c2nnc(C[N@@H+](C)CCc3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000577511305 505742199 /nfs/dbraw/zinc/74/21/99/505742199.db2.gz DFDCDZHHKSVBPQ-UHFFFAOYSA-N 1 1 368.393 3.328 20 5 FGBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000126767279 494834674 /nfs/dbraw/zinc/83/46/74/494834674.db2.gz WJBATMBCTLIOKM-SNVBAGLBSA-N 1 1 370.331 3.185 20 5 FGBDMO Cc1cccc(N2CCC(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)[nH+]1 ZINC000116668865 494835014 /nfs/dbraw/zinc/83/50/14/494835014.db2.gz JVVMVCCMXWTYHM-UHFFFAOYSA-N 1 1 374.828 3.350 20 5 FGBDMO CCOc1ccc(C[N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC000027348233 494863247 /nfs/dbraw/zinc/86/32/47/494863247.db2.gz JDJKLVZXIAAWEP-UHFFFAOYSA-N 1 1 369.421 3.015 20 5 FGBDMO CCOc1ccc(C[N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC000027348233 494863250 /nfs/dbraw/zinc/86/32/50/494863250.db2.gz JDJKLVZXIAAWEP-UHFFFAOYSA-N 1 1 369.421 3.015 20 5 FGBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000132515749 494886331 /nfs/dbraw/zinc/88/63/31/494886331.db2.gz DXLROKURRCTLAO-YGRLFVJLSA-N 1 1 359.348 3.026 20 5 FGBDMO COc1ccccc1/C=C/C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534465 494898988 /nfs/dbraw/zinc/89/89/88/494898988.db2.gz FXOKABGTQRLWDX-NBUZRDOWSA-N 1 1 354.410 3.198 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH+]3CCC(c4nnc[nH]4)CC3)cs2)c1 ZINC000093646005 494906400 /nfs/dbraw/zinc/90/64/00/494906400.db2.gz JNDAAYHAVTVFRV-UHFFFAOYSA-N 1 1 370.438 3.216 20 5 FGBDMO CCCN1CCC([N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000109788119 494918167 /nfs/dbraw/zinc/91/81/67/494918167.db2.gz ZJFKITSCEVGWPC-UHFFFAOYSA-N 1 1 362.474 3.038 20 5 FGBDMO CCCN1CCC([N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000109788119 494918170 /nfs/dbraw/zinc/91/81/70/494918170.db2.gz ZJFKITSCEVGWPC-UHFFFAOYSA-N 1 1 362.474 3.038 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)C1CC1 ZINC000132779458 494922975 /nfs/dbraw/zinc/92/29/75/494922975.db2.gz UNEBMZWUKZFNEC-UZLBHIALSA-N 1 1 373.497 3.006 20 5 FGBDMO Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000122821519 495036166 /nfs/dbraw/zinc/03/61/66/495036166.db2.gz FZRMMXBKFLOCEZ-CVEARBPZSA-N 1 1 362.474 3.241 20 5 FGBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000122852456 495040638 /nfs/dbraw/zinc/04/06/38/495040638.db2.gz HJILDWXLSVASAG-HNNXBMFYSA-N 1 1 374.485 3.173 20 5 FGBDMO C[C@@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)NCc1ccco1 ZINC000111399381 495071493 /nfs/dbraw/zinc/07/14/93/495071493.db2.gz WXKUWISBAKZJBP-CYBMUJFWSA-N 1 1 369.377 3.242 20 5 FGBDMO Cc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)[NH+]2CCCC2)o1 ZINC000101527494 495071657 /nfs/dbraw/zinc/07/16/57/495071657.db2.gz DGAUPIPOAAFDFN-INIZCTEOSA-N 1 1 361.373 3.202 20 5 FGBDMO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000134274684 495129418 /nfs/dbraw/zinc/12/94/18/495129418.db2.gz PWOMMHBLUZSGQF-MRXNPFEDSA-N 1 1 371.412 3.028 20 5 FGBDMO CCS[C@@H]1CCCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000112088522 495142278 /nfs/dbraw/zinc/14/22/78/495142278.db2.gz XMMYYFSBMRJFET-CQSZACIVSA-N 1 1 367.471 3.150 20 5 FGBDMO CCS[C@@H]1CCCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000112088522 495142281 /nfs/dbraw/zinc/14/22/81/495142281.db2.gz XMMYYFSBMRJFET-CQSZACIVSA-N 1 1 367.471 3.150 20 5 FGBDMO CCS[C@@H]1CCCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000112089987 495143344 /nfs/dbraw/zinc/14/33/44/495143344.db2.gz KVMWRIASXXKJRN-MRXNPFEDSA-N 1 1 351.472 3.165 20 5 FGBDMO C[C@H]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000134441215 495150045 /nfs/dbraw/zinc/15/00/45/495150045.db2.gz WYHZNWSXVOQNLF-HNNXBMFYSA-N 1 1 371.412 3.471 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cn1 ZINC000134616322 495175992 /nfs/dbraw/zinc/17/59/92/495175992.db2.gz XEUVVXOOQCFYFQ-UHFFFAOYSA-N 1 1 357.757 3.390 20 5 FGBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000574408268 505766683 /nfs/dbraw/zinc/76/66/83/505766683.db2.gz BYYUELIZWJURIY-LLVKDONJSA-N 1 1 359.348 3.075 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000103132543 495196635 /nfs/dbraw/zinc/19/66/35/495196635.db2.gz LJMNKDVNCUTJMW-SFHVURJKSA-N 1 1 367.449 3.198 20 5 FGBDMO COc1cc(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000123978964 495215315 /nfs/dbraw/zinc/21/53/15/495215315.db2.gz WDOHJDCGFMMXFA-YPMHNXCESA-N 1 1 373.400 3.119 20 5 FGBDMO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000124094517 495232891 /nfs/dbraw/zinc/23/28/91/495232891.db2.gz VCVSDPBQEAAIOM-OAHLLOKOSA-N 1 1 357.410 3.345 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000568747395 505768921 /nfs/dbraw/zinc/76/89/21/505768921.db2.gz KBZORZWSIBYTGH-YJBOKZPZSA-N 1 1 357.454 3.301 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000135045753 495243536 /nfs/dbraw/zinc/24/35/36/495243536.db2.gz BEUCVSJSBYNHSG-HOCLYGCPSA-N 1 1 357.410 3.170 20 5 FGBDMO CCOC(=O)[C@H]1CCC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000104661570 495295142 /nfs/dbraw/zinc/29/51/42/495295142.db2.gz GWCFXTMVGJVTBZ-HNNXBMFYSA-N 1 1 373.409 3.067 20 5 FGBDMO COc1ccccc1CC[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000104710844 495299074 /nfs/dbraw/zinc/29/90/74/495299074.db2.gz LZTUVKBQLVMYRC-UHFFFAOYSA-N 1 1 368.393 3.328 20 5 FGBDMO COc1ccccc1CC[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000104710844 495299077 /nfs/dbraw/zinc/29/90/77/495299077.db2.gz LZTUVKBQLVMYRC-UHFFFAOYSA-N 1 1 368.393 3.328 20 5 FGBDMO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[NH+](Cc2ccccc2)CC1 ZINC000129840487 495303290 /nfs/dbraw/zinc/30/32/90/495303290.db2.gz SEJBLZCFDTVVTI-UHFFFAOYSA-N 1 1 364.405 3.034 20 5 FGBDMO CCc1ccc([C@@H]([NH2+]CCN2CCCC2=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000568772401 505774387 /nfs/dbraw/zinc/77/43/87/505774387.db2.gz UBCIIJUUZXZYNE-IBGZPJMESA-N 1 1 357.410 3.052 20 5 FGBDMO CC[C@H](c1ccncc1)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000130099813 495341667 /nfs/dbraw/zinc/34/16/67/495341667.db2.gz PYKVZZYAHVOUGX-MRXNPFEDSA-N 1 1 358.398 3.020 20 5 FGBDMO CC[C@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000130099813 495341670 /nfs/dbraw/zinc/34/16/70/495341670.db2.gz PYKVZZYAHVOUGX-MRXNPFEDSA-N 1 1 358.398 3.020 20 5 FGBDMO O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000114642970 495403041 /nfs/dbraw/zinc/40/30/41/495403041.db2.gz YCDZMCYBDVZDGT-MRXNPFEDSA-N 1 1 357.385 3.128 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000114645130 495404285 /nfs/dbraw/zinc/40/42/85/495404285.db2.gz VRMMROOWASXHFW-SFHVURJKSA-N 1 1 353.422 3.298 20 5 FGBDMO C[C@H]1CCC[N@@H+](CCNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000120574102 495408541 /nfs/dbraw/zinc/40/85/41/495408541.db2.gz GNDIMLBJGLQOLW-HNNXBMFYSA-N 1 1 360.458 3.001 20 5 FGBDMO C[C@@H](O)C[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000130719423 495435208 /nfs/dbraw/zinc/43/52/08/495435208.db2.gz JGUXLGJCGJZGQQ-OAHLLOKOSA-N 1 1 366.421 3.260 20 5 FGBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000120705266 495439628 /nfs/dbraw/zinc/43/96/28/495439628.db2.gz JUKBGZSIJONDEC-VQOXYXNASA-N 1 1 351.834 3.060 20 5 FGBDMO COc1ccc(C[N@H+]2CCCN(c3nc(C)ccc3[N+](=O)[O-])CC2)cc1 ZINC000120756623 495451024 /nfs/dbraw/zinc/45/10/24/495451024.db2.gz CIVSIQBVJAQOCZ-UHFFFAOYSA-N 1 1 356.426 3.019 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000120855485 495472079 /nfs/dbraw/zinc/47/20/79/495472079.db2.gz PPVVJZDNENDBFN-AWEZNQCLSA-N 1 1 356.426 3.137 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@@H]3CN3CCOCC3)o2)cc1 ZINC000125631244 495474338 /nfs/dbraw/zinc/47/43/38/495474338.db2.gz HXBSQNHOASNITN-GOSISDBHSA-N 1 1 371.437 3.151 20 5 FGBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000140118739 495489279 /nfs/dbraw/zinc/48/92/79/495489279.db2.gz CUAGLTZTEULDCF-AWEZNQCLSA-N 1 1 374.466 3.002 20 5 FGBDMO C[C@@H]1C[C@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000131283356 495516680 /nfs/dbraw/zinc/51/66/80/495516680.db2.gz XKMWIKCVDRZUJQ-SJLPKXTDSA-N 1 1 367.449 3.164 20 5 FGBDMO O=C1CCCCN1CC1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000173440962 495530683 /nfs/dbraw/zinc/53/06/83/495530683.db2.gz RTMNMFPZHNGBNE-UHFFFAOYSA-N 1 1 365.861 3.473 20 5 FGBDMO C[NH+](C)[C@H](C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)c1ccc(Cl)cc1 ZINC000580567015 505787583 /nfs/dbraw/zinc/78/75/83/505787583.db2.gz MIAFEHKITWSIHG-SFHVURJKSA-N 1 1 373.840 3.436 20 5 FGBDMO Cc1nc(COc2ccc(C[N@@H+](C)Cc3ccccc3[N+](=O)[O-])cc2)no1 ZINC000179316443 495540434 /nfs/dbraw/zinc/54/04/34/495540434.db2.gz MIVFCNMWBOKNQD-UHFFFAOYSA-N 1 1 368.393 3.497 20 5 FGBDMO Cc1nc(COc2ccc(C[N@H+](C)Cc3ccccc3[N+](=O)[O-])cc2)no1 ZINC000179316443 495540438 /nfs/dbraw/zinc/54/04/38/495540438.db2.gz MIVFCNMWBOKNQD-UHFFFAOYSA-N 1 1 368.393 3.497 20 5 FGBDMO COc1ccc([C@H](CCO)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000182390240 495543929 /nfs/dbraw/zinc/54/39/29/495543929.db2.gz LQVQAPUYJBWGER-INIZCTEOSA-N 1 1 350.802 3.470 20 5 FGBDMO CCN(C(=O)Nc1ccncc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000158603911 495547501 /nfs/dbraw/zinc/54/75/01/495547501.db2.gz KYQPVQWWOXFMDB-INIZCTEOSA-N 1 1 369.425 3.118 20 5 FGBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000185374332 495553520 /nfs/dbraw/zinc/55/35/20/495553520.db2.gz DKQAVRDPSBPBQH-KBPBESRZSA-N 1 1 351.422 3.028 20 5 FGBDMO C[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000173500594 495560692 /nfs/dbraw/zinc/56/06/92/495560692.db2.gz AUMUKCYEEHJTOW-RYUDHWBXSA-N 1 1 373.375 3.464 20 5 FGBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000182444634 495565655 /nfs/dbraw/zinc/56/56/55/495565655.db2.gz UHTNLQXXWKFEEI-CYBMUJFWSA-N 1 1 369.874 3.037 20 5 FGBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000182444634 495565660 /nfs/dbraw/zinc/56/56/60/495565660.db2.gz UHTNLQXXWKFEEI-CYBMUJFWSA-N 1 1 369.874 3.037 20 5 FGBDMO C[C@@H](O)C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1 ZINC000170691382 495568349 /nfs/dbraw/zinc/56/83/49/495568349.db2.gz ZPDMSHQGMCSLDR-GFCCVEGCSA-N 1 1 369.849 3.202 20 5 FGBDMO C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000173519349 495569945 /nfs/dbraw/zinc/56/99/45/495569945.db2.gz BOFBMDJJPVJQHD-MRXNPFEDSA-N 1 1 353.422 3.331 20 5 FGBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000150761124 495625073 /nfs/dbraw/zinc/62/50/73/495625073.db2.gz ZSHOTMLIJZTLPT-HNNXBMFYSA-N 1 1 362.474 3.107 20 5 FGBDMO COc1ccccc1CCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000182617031 495637360 /nfs/dbraw/zinc/63/73/60/495637360.db2.gz RYIHSOCQVVDRJN-MRXNPFEDSA-N 1 1 356.426 3.117 20 5 FGBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000173810673 495702689 /nfs/dbraw/zinc/70/26/89/495702689.db2.gz SUIFLGYEYBQNNU-GFCCVEGCSA-N 1 1 373.375 3.418 20 5 FGBDMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000159589271 495765087 /nfs/dbraw/zinc/76/50/87/495765087.db2.gz JCZDJAYXHKTBLU-QWHCGFSZSA-N 1 1 359.451 3.409 20 5 FGBDMO CC(C)NC(=O)c1ccc(N2CCC([N@H+]3CCC[C@@H]3C)CC2)c([N+](=O)[O-])c1 ZINC000154961650 495785700 /nfs/dbraw/zinc/78/57/00/495785700.db2.gz LMSULOVUKICLBC-HNNXBMFYSA-N 1 1 374.485 3.186 20 5 FGBDMO Cc1ccc(NCCCNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)[nH+]c1 ZINC000183016153 495799681 /nfs/dbraw/zinc/79/96/81/495799681.db2.gz NJOVLCNJNZQFQN-CYBMUJFWSA-N 1 1 360.389 3.159 20 5 FGBDMO CCC(CC)NC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174243855 495880566 /nfs/dbraw/zinc/88/05/66/495880566.db2.gz ZGMMOAUFEYIDBO-CQSZACIVSA-N 1 1 363.458 3.131 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174248806 495881621 /nfs/dbraw/zinc/88/16/21/495881621.db2.gz UHILRDVKULOVJG-OAHLLOKOSA-N 1 1 369.421 3.465 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000183254091 495901025 /nfs/dbraw/zinc/90/10/25/495901025.db2.gz RLXMMEAHVVAQSM-UHFFFAOYSA-N 1 1 371.412 3.390 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000183254091 495901032 /nfs/dbraw/zinc/90/10/32/495901032.db2.gz RLXMMEAHVVAQSM-UHFFFAOYSA-N 1 1 371.412 3.390 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@](C)(O)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000180199939 495903311 /nfs/dbraw/zinc/90/33/11/495903311.db2.gz LIENFADVLJXYRZ-FQEVSTJZSA-N 1 1 372.421 3.139 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@](C)(O)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000180199939 495903317 /nfs/dbraw/zinc/90/33/17/495903317.db2.gz LIENFADVLJXYRZ-FQEVSTJZSA-N 1 1 372.421 3.139 20 5 FGBDMO C[C@H]1C[C@@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C[N@H+]1C1CC1 ZINC000177144695 495946451 /nfs/dbraw/zinc/94/64/51/495946451.db2.gz ANDMWCBKLMTJOT-WCQYABFASA-N 1 1 372.450 3.073 20 5 FGBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000574613589 505814742 /nfs/dbraw/zinc/81/47/42/505814742.db2.gz MXMKKZZGFUJXSJ-CQSZACIVSA-N 1 1 350.463 3.265 20 5 FGBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000180647984 496086312 /nfs/dbraw/zinc/08/63/12/496086312.db2.gz VJSQRFPKQDAUND-CYBMUJFWSA-N 1 1 372.372 3.000 20 5 FGBDMO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cc(Br)ccc1F ZINC000174835554 496126237 /nfs/dbraw/zinc/12/62/37/496126237.db2.gz VOSNFWUHJRTKST-UHFFFAOYSA-N 1 1 371.210 3.215 20 5 FGBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cc(Br)ccc1F ZINC000174835554 496126238 /nfs/dbraw/zinc/12/62/38/496126238.db2.gz VOSNFWUHJRTKST-UHFFFAOYSA-N 1 1 371.210 3.215 20 5 FGBDMO CC[N@H+]1CCC[C@H]1CN(C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000177700106 496163370 /nfs/dbraw/zinc/16/33/70/496163370.db2.gz NUGMEOFMPNBUIR-KRWDZBQOSA-N 1 1 358.442 3.208 20 5 FGBDMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000152741599 496243025 /nfs/dbraw/zinc/24/30/25/496243025.db2.gz SUTSNYTXJPFUSP-INIZCTEOSA-N 1 1 372.469 3.286 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000175129243 496258755 /nfs/dbraw/zinc/25/87/55/496258755.db2.gz DDYPIHCZGHZUOF-UHFFFAOYSA-N 1 1 362.455 3.162 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCN(c2nccs2)CC1 ZINC000175129243 496258757 /nfs/dbraw/zinc/25/87/57/496258757.db2.gz DDYPIHCZGHZUOF-UHFFFAOYSA-N 1 1 362.455 3.162 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000156550854 496276523 /nfs/dbraw/zinc/27/65/23/496276523.db2.gz RCEADRFZMLARSF-CRAIPNDOSA-N 1 1 371.441 3.011 20 5 FGBDMO CCOc1cc(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000181144372 496286508 /nfs/dbraw/zinc/28/65/08/496286508.db2.gz NDPPAABGALEIQF-GOSISDBHSA-N 1 1 371.437 3.172 20 5 FGBDMO O=C(CC[N@H+]1CCC[C@@H](c2nccs2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000157013526 496386500 /nfs/dbraw/zinc/38/65/00/496386500.db2.gz SSPLEEUXFHKDRI-CYBMUJFWSA-N 1 1 360.439 3.260 20 5 FGBDMO O=C(CC[N@H+]1CCC[C@@H](c2nccs2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000157018551 496387444 /nfs/dbraw/zinc/38/74/44/496387444.db2.gz DBDDYPDUWGIXJD-CYBMUJFWSA-N 1 1 360.439 3.260 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CC1(O)CCCCCC1 ZINC000187331922 496396875 /nfs/dbraw/zinc/39/68/75/496396875.db2.gz JHKFXOPFMCXUDS-UHFFFAOYSA-N 1 1 363.458 3.249 20 5 FGBDMO Cc1c(NC(=O)CCN2CCC[C@@H]([NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000157234346 496433879 /nfs/dbraw/zinc/43/38/79/496433879.db2.gz OQQZKCBGKKSYOG-QGZVFWFLSA-N 1 1 374.485 3.182 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+](Cc1ccco1)C1CCCC1 ZINC000181561617 496446486 /nfs/dbraw/zinc/44/64/86/496446486.db2.gz ONEGDDLKYAXCAX-MRXNPFEDSA-N 1 1 360.410 3.372 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000178426633 496452684 /nfs/dbraw/zinc/45/26/84/496452684.db2.gz UIZGLVNUVWVGIH-CQSZACIVSA-N 1 1 364.446 3.093 20 5 FGBDMO C[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000153474894 496468146 /nfs/dbraw/zinc/46/81/46/496468146.db2.gz MZJCUSSGQSBZDF-OAHLLOKOSA-N 1 1 350.802 3.120 20 5 FGBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2c2cccc(Br)c2)c1 ZINC000157738482 496541882 /nfs/dbraw/zinc/54/18/82/496541882.db2.gz FSMGOYLTZFBYNU-OAHLLOKOSA-N 1 1 365.231 3.391 20 5 FGBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]2c2cccc(Br)c2)c1 ZINC000157738482 496541889 /nfs/dbraw/zinc/54/18/89/496541889.db2.gz FSMGOYLTZFBYNU-OAHLLOKOSA-N 1 1 365.231 3.391 20 5 FGBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000181785778 496544445 /nfs/dbraw/zinc/54/44/45/496544445.db2.gz VPDSCROUINEGHI-LLVKDONJSA-N 1 1 374.363 3.419 20 5 FGBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000175941365 496610887 /nfs/dbraw/zinc/61/08/87/496610887.db2.gz HXBVFNDHAXHVBL-UHFFFAOYSA-N 1 1 374.416 3.007 20 5 FGBDMO C[N@H+](Cc1ccccc1)C[C@H](O)COc1c(Cl)cccc1[N+](=O)[O-] ZINC000153934844 496629477 /nfs/dbraw/zinc/62/94/77/496629477.db2.gz VBJHOJWTKRGRCF-AWEZNQCLSA-N 1 1 350.802 3.120 20 5 FGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000153991548 496646838 /nfs/dbraw/zinc/64/68/38/496646838.db2.gz IHTRTTDWSJVSET-KSZLIROESA-N 1 1 360.502 3.146 20 5 FGBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185101020 496660689 /nfs/dbraw/zinc/66/06/89/496660689.db2.gz QTCHECPPMQOMND-BARDWOONSA-N 1 1 365.449 3.320 20 5 FGBDMO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1nc(-c2cccc(F)c2)no1 ZINC000185103586 496662319 /nfs/dbraw/zinc/66/23/19/496662319.db2.gz CMJHTEXHFGEGEQ-MEDUHNTESA-N 1 1 372.356 3.168 20 5 FGBDMO C[C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000182159502 496691522 /nfs/dbraw/zinc/69/15/22/496691522.db2.gz YIVQKVLDPUJEFN-OAHLLOKOSA-N 1 1 371.412 3.182 20 5 FGBDMO C[C@H](c1nc2ccccc2s1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000179222594 496715998 /nfs/dbraw/zinc/71/59/98/496715998.db2.gz FJANGFVLQUXFKV-GFCCVEGCSA-N 1 1 358.423 3.059 20 5 FGBDMO C[C@H](c1nc2ccccc2s1)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000179222594 496716002 /nfs/dbraw/zinc/71/60/02/496716002.db2.gz FJANGFVLQUXFKV-GFCCVEGCSA-N 1 1 358.423 3.059 20 5 FGBDMO C[S@](=O)C[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000273263109 496756636 /nfs/dbraw/zinc/75/66/36/496756636.db2.gz ITKVEKIVEUYDFN-CMJOXMDJSA-N 1 1 352.843 3.458 20 5 FGBDMO NC(=O)C1([NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000191481545 496779062 /nfs/dbraw/zinc/77/90/62/496779062.db2.gz XMXQDJDZNKYYQD-UHFFFAOYSA-N 1 1 361.785 3.148 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCSC[C@H]2c2ccccc2)c1 ZINC000247339131 496839126 /nfs/dbraw/zinc/83/91/26/496839126.db2.gz ZBCZQNLPZFBGCM-MJGOQNOKSA-N 1 1 374.462 3.125 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000247400100 496851240 /nfs/dbraw/zinc/85/12/40/496851240.db2.gz MOUPMIUSFBUBPI-ZQIUZPCESA-N 1 1 365.499 3.264 20 5 FGBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000247448237 496860169 /nfs/dbraw/zinc/86/01/69/496860169.db2.gz PZZWNPXNISHJFL-SUMWQHHRSA-N 1 1 374.466 3.173 20 5 FGBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277730464 496868199 /nfs/dbraw/zinc/86/81/99/496868199.db2.gz BHPHQBMOPPYTIP-MOPGFXCFSA-N 1 1 361.445 3.450 20 5 FGBDMO COCCC[N@@H+](CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000188926438 496949826 /nfs/dbraw/zinc/94/98/26/496949826.db2.gz SHEDRZDLWBOYIK-UHFFFAOYSA-N 1 1 368.817 3.339 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000248143970 496962952 /nfs/dbraw/zinc/96/29/52/496962952.db2.gz ZCEBOBYQRAJNDQ-FUHWJXTLSA-N 1 1 371.462 3.492 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000278018150 496974251 /nfs/dbraw/zinc/97/42/51/496974251.db2.gz PTPCCFCWNDRZDY-AGUYFDCRSA-N 1 1 351.834 3.302 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC([C@H]4CCCO4)CC3)n2)c1 ZINC000189128874 497017826 /nfs/dbraw/zinc/01/78/26/497017826.db2.gz KHABAPYBYVZFBS-MRXNPFEDSA-N 1 1 358.398 3.036 20 5 FGBDMO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000248457813 497018451 /nfs/dbraw/zinc/01/84/51/497018451.db2.gz UFDKXRBPICRMSF-OXQOHEQNSA-N 1 1 369.465 3.321 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cc(F)ccc3Cl)C2)nc1 ZINC000189192724 497039426 /nfs/dbraw/zinc/03/94/26/497039426.db2.gz PIIWPTAWFAJVEE-ZDUSSCGKSA-N 1 1 350.781 3.469 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cc(F)ccc3Cl)C2)nc1 ZINC000189192724 497039430 /nfs/dbraw/zinc/03/94/30/497039430.db2.gz PIIWPTAWFAJVEE-ZDUSSCGKSA-N 1 1 350.781 3.469 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC([C@H]4CCCO4)CC3)n2)cc1 ZINC000189206760 497044625 /nfs/dbraw/zinc/04/46/25/497044625.db2.gz TVPNLRHVJMJJQD-MRXNPFEDSA-N 1 1 358.398 3.036 20 5 FGBDMO C[C@H](C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000248574223 497045473 /nfs/dbraw/zinc/04/54/73/497045473.db2.gz MYBJBUUVMKCPPS-LIRRHRJNSA-N 1 1 371.412 3.353 20 5 FGBDMO C[C@H](C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000248574223 497045476 /nfs/dbraw/zinc/04/54/76/497045476.db2.gz MYBJBUUVMKCPPS-LIRRHRJNSA-N 1 1 371.412 3.353 20 5 FGBDMO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@H+](C3CC3)C2)nc1-c1ccc(F)cc1 ZINC000572069055 505881416 /nfs/dbraw/zinc/88/14/16/505881416.db2.gz OXZAMGFCWOXEJG-ZDUSSCGKSA-N 1 1 356.401 3.114 20 5 FGBDMO CC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](C)c1cccc(OC)c1 ZINC000249707723 497234149 /nfs/dbraw/zinc/23/41/49/497234149.db2.gz BOPYPFZNAWLFSR-QAPCUYQASA-N 1 1 374.437 3.426 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCCC3(CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000266044530 497240656 /nfs/dbraw/zinc/24/06/56/497240656.db2.gz WYCJXJMBMPVOHD-HNNXBMFYSA-N 1 1 361.442 3.123 20 5 FGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000245383907 497379181 /nfs/dbraw/zinc/37/91/81/497379181.db2.gz SGUSWFOACHHHDP-WMLDXEAASA-N 1 1 354.410 3.108 20 5 FGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000245383907 497379187 /nfs/dbraw/zinc/37/91/87/497379187.db2.gz SGUSWFOACHHHDP-WMLDXEAASA-N 1 1 354.410 3.108 20 5 FGBDMO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)N1CCc2sccc2C1 ZINC000271576148 497387596 /nfs/dbraw/zinc/38/75/96/497387596.db2.gz AYSXMBVTKZITOF-STQMWFEESA-N 1 1 359.451 3.280 20 5 FGBDMO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)N1CCc2sccc2C1 ZINC000271576144 497387646 /nfs/dbraw/zinc/38/76/46/497387646.db2.gz AYSXMBVTKZITOF-QWHCGFSZSA-N 1 1 359.451 3.280 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)C[C@@H]1CCCCO1 ZINC000266680276 497396745 /nfs/dbraw/zinc/39/67/45/497396745.db2.gz ADSOGSIUSTVJEO-YPMHNXCESA-N 1 1 355.822 3.076 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000266680276 497396749 /nfs/dbraw/zinc/39/67/49/497396749.db2.gz ADSOGSIUSTVJEO-YPMHNXCESA-N 1 1 355.822 3.076 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)C[C@H]1CCCCO1 ZINC000266680274 497396918 /nfs/dbraw/zinc/39/69/18/497396918.db2.gz ADSOGSIUSTVJEO-WCQYABFASA-N 1 1 355.822 3.076 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)C[C@H]1CCCCO1 ZINC000266680274 497396922 /nfs/dbraw/zinc/39/69/22/497396922.db2.gz ADSOGSIUSTVJEO-WCQYABFASA-N 1 1 355.822 3.076 20 5 FGBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000193528697 497403552 /nfs/dbraw/zinc/40/35/52/497403552.db2.gz VWMJFDUPQXQVIP-UHFFFAOYSA-N 1 1 362.474 3.391 20 5 FGBDMO CSc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cc1[N+](=O)[O-] ZINC000245453644 497415950 /nfs/dbraw/zinc/41/59/50/497415950.db2.gz RHIXUVUHDHHYIH-CABCVRRESA-N 1 1 363.483 3.404 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000275792464 497432898 /nfs/dbraw/zinc/43/28/98/497432898.db2.gz JYHXCHYTAZHEFO-TZMCWYRMSA-N 1 1 353.850 3.359 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2nc(CN3CC[N@H+]4CCCC[C@H]4C3)cs2)c1 ZINC000245553847 497452330 /nfs/dbraw/zinc/45/23/30/497452330.db2.gz GHAASTKVPHJACV-KRWDZBQOSA-N 1 1 358.467 3.388 20 5 FGBDMO Cc1c(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000262097770 497508706 /nfs/dbraw/zinc/50/87/06/497508706.db2.gz ZCEKSVSTDKJHPK-KRWDZBQOSA-N 1 1 359.813 3.343 20 5 FGBDMO COc1cc(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])cc1OC ZINC000245748704 497526894 /nfs/dbraw/zinc/52/68/94/497526894.db2.gz NJBGQNCQRYDOIO-CXAGYDPISA-N 1 1 352.456 3.472 20 5 FGBDMO COc1cc(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])cc1OC ZINC000245748704 497526897 /nfs/dbraw/zinc/52/68/97/497526897.db2.gz NJBGQNCQRYDOIO-CXAGYDPISA-N 1 1 352.456 3.472 20 5 FGBDMO C[C@]1(CCCO)CCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000272068254 497527648 /nfs/dbraw/zinc/52/76/48/497527648.db2.gz YINMMHCHZVLWPD-LJQANCHMSA-N 1 1 359.426 3.419 20 5 FGBDMO COc1cc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc([N+](=O)[O-])c1C ZINC000190601197 497541287 /nfs/dbraw/zinc/54/12/87/497541287.db2.gz RQWWLUWOOSSRIM-INIZCTEOSA-N 1 1 373.409 3.072 20 5 FGBDMO CCS(=O)(=O)CCCCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000276472663 497581905 /nfs/dbraw/zinc/58/19/05/497581905.db2.gz NOZXFAKDRKDFPC-UHFFFAOYSA-N 1 1 354.472 3.164 20 5 FGBDMO CCS(=O)(=O)CCCCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000276472663 497581909 /nfs/dbraw/zinc/58/19/09/497581909.db2.gz NOZXFAKDRKDFPC-UHFFFAOYSA-N 1 1 354.472 3.164 20 5 FGBDMO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272387864 497615115 /nfs/dbraw/zinc/61/51/15/497615115.db2.gz WGEXXRHOQMZSCO-UKRRQHHQSA-N 1 1 359.451 3.297 20 5 FGBDMO CCOCCC1(C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272502764 497644613 /nfs/dbraw/zinc/64/46/13/497644613.db2.gz HKIRFXFGUUVLBI-KRWDZBQOSA-N 1 1 358.442 3.214 20 5 FGBDMO CCO[C@@H]1C[C@@H]([NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000272513741 497648694 /nfs/dbraw/zinc/64/86/94/497648694.db2.gz JPKIGGNFEKAJQY-KZNAEPCWSA-N 1 1 370.453 3.355 20 5 FGBDMO Cc1nc(CC[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)sc1C ZINC000272576330 497667511 /nfs/dbraw/zinc/66/75/11/497667511.db2.gz XCLFVRTWGNXETF-KRWDZBQOSA-N 1 1 371.466 3.323 20 5 FGBDMO C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000246283598 497683402 /nfs/dbraw/zinc/68/34/02/497683402.db2.gz IAJKKUHQICUBNK-URLQWDBASA-N 1 1 372.469 3.314 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000194590314 497712608 /nfs/dbraw/zinc/71/26/08/497712608.db2.gz VMFQKNIPFGBKCN-SFHVURJKSA-N 1 1 367.449 3.198 20 5 FGBDMO O=[N+]([O-])c1ccc2oc(CN3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)nc2c1 ZINC000246525332 497763735 /nfs/dbraw/zinc/76/37/35/497763735.db2.gz JCFDHCUQUIFYDH-GUYCJALGSA-N 1 1 356.426 3.185 20 5 FGBDMO C[C@H](C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000246545524 497769838 /nfs/dbraw/zinc/76/98/38/497769838.db2.gz XWULIFDNCSIUOT-FRRDWIJNSA-N 1 1 357.414 3.185 20 5 FGBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCCC[C@@H](SC)C2)c([N+](=O)[O-])c1 ZINC000246559973 497774536 /nfs/dbraw/zinc/77/45/36/497774536.db2.gz KWMSTLBAUWXXLH-GXTWGEPZSA-N 1 1 367.471 3.148 20 5 FGBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCCC[C@@H](SC)C2)c([N+](=O)[O-])c1 ZINC000246559973 497774540 /nfs/dbraw/zinc/77/45/40/497774540.db2.gz KWMSTLBAUWXXLH-GXTWGEPZSA-N 1 1 367.471 3.148 20 5 FGBDMO NC(=O)c1ccc(C[N@H+]2CC=C(c3ccc(Cl)nc3)CC2)c([N+](=O)[O-])c1 ZINC000364298984 497887028 /nfs/dbraw/zinc/88/70/28/497887028.db2.gz HMVGOURIWHICLS-UHFFFAOYSA-N 1 1 372.812 3.031 20 5 FGBDMO NC(=O)c1ccc(C[N@@H+]2CC=C(c3ccc(Cl)nc3)CC2)c([N+](=O)[O-])c1 ZINC000364298984 497887034 /nfs/dbraw/zinc/88/70/34/497887034.db2.gz HMVGOURIWHICLS-UHFFFAOYSA-N 1 1 372.812 3.031 20 5 FGBDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000299723788 497908730 /nfs/dbraw/zinc/90/87/30/497908730.db2.gz TVKUGBYPBKZDPX-MRXNPFEDSA-N 1 1 357.414 3.100 20 5 FGBDMO CC[C@@H](NC(=O)c1cc(C[NH+]2CCCC2)on1)c1cccc([N+](=O)[O-])c1 ZINC000292173940 497910942 /nfs/dbraw/zinc/91/09/42/497910942.db2.gz PSGDATDTKMMNHC-MRXNPFEDSA-N 1 1 358.398 3.060 20 5 FGBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000581272905 505948807 /nfs/dbraw/zinc/94/88/07/505948807.db2.gz VVWMMWLTHPYZCW-LSDHHAIUSA-N 1 1 365.384 3.255 20 5 FGBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000581272905 505948810 /nfs/dbraw/zinc/94/88/10/505948810.db2.gz VVWMMWLTHPYZCW-LSDHHAIUSA-N 1 1 365.384 3.255 20 5 FGBDMO O=C(Nc1cccc(CN2CCSCC2)c1)c1cccc([O-])c1[N+](=O)[O-] ZINC000280873782 497930744 /nfs/dbraw/zinc/93/07/44/497930744.db2.gz YEYBTIOMDMNKGS-UHFFFAOYSA-N 1 1 373.434 3.102 20 5 FGBDMO C[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)[N@H+]1CCC[C@H](C)C1 ZINC000301109336 497955518 /nfs/dbraw/zinc/95/55/18/497955518.db2.gz NIOFGVJHMVIZFA-HOTGVXAUSA-N 1 1 374.485 3.363 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000301262752 498027461 /nfs/dbraw/zinc/02/74/61/498027461.db2.gz LRIICWBXXHMRQA-CQSZACIVSA-N 1 1 356.382 3.214 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1nc2sccn2c1[N+](=O)[O-] ZINC000301308904 498050416 /nfs/dbraw/zinc/05/04/16/498050416.db2.gz DJJGZHIXHUSAQN-JSGCOSHPSA-N 1 1 372.454 3.022 20 5 FGBDMO C[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000296513897 498073890 /nfs/dbraw/zinc/07/38/90/498073890.db2.gz CPUNBYMPTKAZEJ-GMBSWORKSA-N 1 1 372.469 3.314 20 5 FGBDMO C[C@]12CCC[N@H+]1C[C@@H](c1noc(-c3c[nH]c4ccc([N+](=O)[O-])cc43)n1)OC2 ZINC000350389549 498092766 /nfs/dbraw/zinc/09/27/66/498092766.db2.gz LJSXRANTTQYEBU-MAUKXSAKSA-N 1 1 369.381 3.052 20 5 FGBDMO CC[N@H+]1CCC[C@@H](CN(C)Cc2ccccc2[N+](=O)[O-])[C@@H]1c1cnn(C)c1 ZINC000364717141 498109198 /nfs/dbraw/zinc/10/91/98/498109198.db2.gz OXIDSIAJCGZPRV-FXAWDEMLSA-N 1 1 371.485 3.233 20 5 FGBDMO CCN1CCC[C@@H](C[N@H+](C)Cc2ccccc2[N+](=O)[O-])[C@@H]1c1cnn(C)c1 ZINC000364717141 498109203 /nfs/dbraw/zinc/10/92/03/498109203.db2.gz OXIDSIAJCGZPRV-FXAWDEMLSA-N 1 1 371.485 3.233 20 5 FGBDMO CCN1CCC[C@@H](C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])[C@@H]1c1cnn(C)c1 ZINC000364717141 498109209 /nfs/dbraw/zinc/10/92/09/498109209.db2.gz OXIDSIAJCGZPRV-FXAWDEMLSA-N 1 1 371.485 3.233 20 5 FGBDMO CCN1CC[NH+](Cc2ccc(CNc3cccc(F)c3[N+](=O)[O-])cc2)CC1 ZINC000301502487 498138751 /nfs/dbraw/zinc/13/87/51/498138751.db2.gz FMPLWQQGJVWZHJ-UHFFFAOYSA-N 1 1 372.444 3.484 20 5 FGBDMO C[N@@H+]1CC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1c1ccccc1 ZINC000289437835 498146518 /nfs/dbraw/zinc/14/65/18/498146518.db2.gz STGPIGQLIMFTLU-HNAYVOBHSA-N 1 1 352.394 3.271 20 5 FGBDMO C[N@H+]1CC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1c1ccccc1 ZINC000289437835 498146525 /nfs/dbraw/zinc/14/65/25/498146525.db2.gz STGPIGQLIMFTLU-HNAYVOBHSA-N 1 1 352.394 3.271 20 5 FGBDMO CCOc1cc(NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)ccc1[N+](=O)[O-] ZINC000301572304 498169041 /nfs/dbraw/zinc/16/90/41/498169041.db2.gz RNEDGVQOTYPBAO-UHFFFAOYSA-N 1 1 371.441 3.481 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000289512913 498175439 /nfs/dbraw/zinc/17/54/39/498175439.db2.gz KXDWWWLHDNETHC-HKUYNNGSSA-N 1 1 373.453 3.265 20 5 FGBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000281513036 498176611 /nfs/dbraw/zinc/17/66/11/498176611.db2.gz PQWFGWUPJIJKRT-UHFFFAOYSA-N 1 1 358.446 3.036 20 5 FGBDMO COc1cc(NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000301612169 498186325 /nfs/dbraw/zinc/18/63/25/498186325.db2.gz FPIJEBKYIWKDMO-RYUDHWBXSA-N 1 1 355.410 3.042 20 5 FGBDMO COc1cc(NCc2ccc(-n3cc[nH+]c3C)nc2)c([N+](=O)[O-])cc1F ZINC000301617556 498190133 /nfs/dbraw/zinc/19/01/33/498190133.db2.gz KOSDLRUUNHHDDP-UHFFFAOYSA-N 1 1 357.345 3.244 20 5 FGBDMO C[C@@H](C(=O)NCC[N@H+]1CCCC(C)(C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000330948107 498222973 /nfs/dbraw/zinc/22/29/73/498222973.db2.gz BSIUMJZTSGSTBP-CYBMUJFWSA-N 1 1 351.422 3.076 20 5 FGBDMO C[C@@H](CNc1ncc(Br)cc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000301703333 498232137 /nfs/dbraw/zinc/23/21/37/498232137.db2.gz UNMIAADZSPDFQQ-QWRGUYRKSA-N 1 1 357.252 3.285 20 5 FGBDMO O=[N+]([O-])c1cc(F)ccc1N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000301717706 498236942 /nfs/dbraw/zinc/23/69/42/498236942.db2.gz KYIKZZXEJIULQY-YJBOKZPZSA-N 1 1 359.401 3.029 20 5 FGBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3cccc([N+](=O)[O-])c3Cl)CC[C@@H]21 ZINC000289784355 498291442 /nfs/dbraw/zinc/29/14/42/498291442.db2.gz TVMDIFUGHXBQMB-YPMHNXCESA-N 1 1 352.822 3.196 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1 ZINC000581540183 506011064 /nfs/dbraw/zinc/01/10/64/506011064.db2.gz OWNCXAMELBPZOX-GDZNZVCISA-N 1 1 363.483 3.119 20 5 FGBDMO C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)[C@H](C)[NH+]1CCOCC1 ZINC000301851829 498293273 /nfs/dbraw/zinc/29/32/73/498293273.db2.gz GDVDWXOQEWWJMJ-CABCVRRESA-N 1 1 356.426 3.178 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCCCn1cc[nH+]c1C ZINC000281902124 498312739 /nfs/dbraw/zinc/31/27/39/498312739.db2.gz IDPFRDOQTWULNF-UHFFFAOYSA-N 1 1 361.402 3.100 20 5 FGBDMO C[C@@H](Nc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000301899805 498318981 /nfs/dbraw/zinc/31/89/81/498318981.db2.gz YLMBYEUYSARKSQ-ZIAGYGMSSA-N 1 1 351.447 3.293 20 5 FGBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000293252009 498320584 /nfs/dbraw/zinc/32/05/84/498320584.db2.gz FKCRNWQJGZFFPD-GFCCVEGCSA-N 1 1 373.375 3.321 20 5 FGBDMO CC[NH+](CC)[C@H](c1nc(Cc2ccc([N+](=O)[O-])cn2)no1)c1ccccc1 ZINC000290039087 498403911 /nfs/dbraw/zinc/40/39/11/498403911.db2.gz IVKMMLJRETVJTQ-SFHVURJKSA-N 1 1 367.409 3.395 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1nc2sccn2c1[N+](=O)[O-] ZINC000302160691 498422686 /nfs/dbraw/zinc/42/26/86/498422686.db2.gz GXVLVAKBPQIMDI-OCCSQVGLSA-N 1 1 357.439 3.236 20 5 FGBDMO O=C(Nc1ccccn1)C1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000365362617 498424084 /nfs/dbraw/zinc/42/40/84/498424084.db2.gz LHWKUFFEZGRWTQ-UHFFFAOYSA-N 1 1 374.828 3.494 20 5 FGBDMO O=C([C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1)N1CCCC1 ZINC000331715387 498430201 /nfs/dbraw/zinc/43/02/01/498430201.db2.gz HPONEZKOAJFWPJ-CQSZACIVSA-N 1 1 351.834 3.083 20 5 FGBDMO O=C([C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1)N1CCCC1 ZINC000331715387 498430206 /nfs/dbraw/zinc/43/02/06/498430206.db2.gz HPONEZKOAJFWPJ-CQSZACIVSA-N 1 1 351.834 3.083 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]C[C@@H]1COc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000290187998 498456615 /nfs/dbraw/zinc/45/66/15/498456615.db2.gz FVFYODCPKWVRLV-DNVCBOLYSA-N 1 1 364.405 3.184 20 5 FGBDMO C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000293741572 498474285 /nfs/dbraw/zinc/47/42/85/498474285.db2.gz RLDMXVLZVBPGFA-LBPRGKRZSA-N 1 1 351.834 3.195 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000332128690 498571327 /nfs/dbraw/zinc/57/13/27/498571327.db2.gz NQSIUTHHBQPOFK-HNNXBMFYSA-N 1 1 367.396 3.178 20 5 FGBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C2)C1 ZINC000294228946 498627010 /nfs/dbraw/zinc/62/70/10/498627010.db2.gz RJXUPYOAICHTRV-MRXNPFEDSA-N 1 1 371.359 3.172 20 5 FGBDMO CCn1c2ccc(F)cc2nc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365823186 498655162 /nfs/dbraw/zinc/65/51/62/498655162.db2.gz UPNBFVNJPNJFRH-UHFFFAOYSA-N 1 1 372.404 3.137 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000332454790 498692874 /nfs/dbraw/zinc/69/28/74/498692874.db2.gz GECYPIIOBTWINF-IJEWVQPXSA-N 1 1 363.483 3.161 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000332454790 498692878 /nfs/dbraw/zinc/69/28/78/498692878.db2.gz GECYPIIOBTWINF-IJEWVQPXSA-N 1 1 363.483 3.161 20 5 FGBDMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000332518747 498709306 /nfs/dbraw/zinc/70/93/06/498709306.db2.gz LEGNFMVWJRVZHY-SMDDNHRTSA-N 1 1 371.359 3.312 20 5 FGBDMO COc1ccc([N+](=O)[O-])c(NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000581896465 506085140 /nfs/dbraw/zinc/08/51/40/506085140.db2.gz DSCMCIBDXUKDJH-HNNXBMFYSA-N 1 1 371.437 3.436 20 5 FGBDMO COc1ccc([N+](=O)[O-])c(NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000581896465 506085144 /nfs/dbraw/zinc/08/51/44/506085144.db2.gz DSCMCIBDXUKDJH-HNNXBMFYSA-N 1 1 371.437 3.436 20 5 FGBDMO O=C(NC1CCCCC1)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000283064398 498764795 /nfs/dbraw/zinc/76/47/95/498764795.db2.gz JRQBIZMYWBYXHI-UHFFFAOYSA-N 1 1 363.433 3.395 20 5 FGBDMO O=[N+]([O-])c1c(NC[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)nc2sccn21 ZINC000363407425 498804506 /nfs/dbraw/zinc/80/45/06/498804506.db2.gz XPTZEDOFLBDYNU-AWEZNQCLSA-N 1 1 372.454 3.023 20 5 FGBDMO C[C@@H]([NH2+]Cc1cccnc1OCC(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294832266 498820113 /nfs/dbraw/zinc/82/01/13/498820113.db2.gz RFMJAFFGZMVEOD-SNVBAGLBSA-N 1 1 352.341 3.067 20 5 FGBDMO C[C@@H]1C[N@@H+](C)[C@H](C)[C@H](C)N1C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000593190845 506453782 /nfs/dbraw/zinc/45/37/82/506453782.db2.gz PPFFBQRIZQCZIZ-MXWKQRLJSA-N 1 1 359.348 3.167 20 5 FGBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc([C@@H]2C[N@@H+]3CCC[C@]3(C)CO2)no1 ZINC000581970353 506102665 /nfs/dbraw/zinc/10/26/65/506102665.db2.gz XIYXZHIWRNTGIV-VLBBJHDPSA-N 1 1 370.409 3.464 20 5 FGBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc([C@@H]2C[N@H+]3CCC[C@]3(C)CO2)no1 ZINC000581970353 506102668 /nfs/dbraw/zinc/10/26/68/506102668.db2.gz XIYXZHIWRNTGIV-VLBBJHDPSA-N 1 1 370.409 3.464 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC(F)(F)[C@H](CO)C3)o2)cc1 ZINC000291247221 498861437 /nfs/dbraw/zinc/86/14/37/498861437.db2.gz LSAYDECDLRQLAD-ZDUSSCGKSA-N 1 1 352.337 3.304 20 5 FGBDMO Cc1cc(Cl)c(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000295069801 498898499 /nfs/dbraw/zinc/89/84/99/498898499.db2.gz HRSTYEBXFYJGRA-ZDUSSCGKSA-N 1 1 353.850 3.264 20 5 FGBDMO C[C@H]1C[C@H](N(C)C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[N@H+]1C ZINC000291438679 498940563 /nfs/dbraw/zinc/94/05/63/498940563.db2.gz HUGDZMKRFYKDEU-GXSJLCMTSA-N 1 1 360.241 3.456 20 5 FGBDMO Cc1nc(C[NH+]2CCC(CNc3ccc(N)cc3[N+](=O)[O-])CC2)oc1C ZINC000283707722 498964054 /nfs/dbraw/zinc/96/40/54/498964054.db2.gz DJWLJVXJCLRHTI-UHFFFAOYSA-N 1 1 359.430 3.106 20 5 FGBDMO COc1ccc([C@@H](C[NH+](C)C)N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000284070247 499042143 /nfs/dbraw/zinc/04/21/43/499042143.db2.gz NBDXWGOXTLDQBX-SCLBCKFNSA-N 1 1 358.442 3.139 20 5 FGBDMO Cc1cc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)[nH]n1 ZINC000364006609 499082476 /nfs/dbraw/zinc/08/24/76/499082476.db2.gz CZNQGBKDMTWQHU-LSDHHAIUSA-N 1 1 371.441 3.141 20 5 FGBDMO Cc1cc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)[nH]n1 ZINC000364006609 499082480 /nfs/dbraw/zinc/08/24/80/499082480.db2.gz CZNQGBKDMTWQHU-LSDHHAIUSA-N 1 1 371.441 3.141 20 5 FGBDMO Cc1cc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)n[nH]1 ZINC000364006609 499082484 /nfs/dbraw/zinc/08/24/84/499082484.db2.gz CZNQGBKDMTWQHU-LSDHHAIUSA-N 1 1 371.441 3.141 20 5 FGBDMO Cc1cc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)n[nH]1 ZINC000364006609 499082486 /nfs/dbraw/zinc/08/24/86/499082486.db2.gz CZNQGBKDMTWQHU-LSDHHAIUSA-N 1 1 371.441 3.141 20 5 FGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(O)(Cc3ccccc3F)CC2)cc1F ZINC000366993091 499130836 /nfs/dbraw/zinc/13/08/36/499130836.db2.gz APZDANASTOGWFF-UHFFFAOYSA-N 1 1 362.376 3.443 20 5 FGBDMO Cc1c(C[N@H+](C)C2CCN(Cc3ccncc3)CC2)cccc1[N+](=O)[O-] ZINC000372582976 499149211 /nfs/dbraw/zinc/14/92/11/499149211.db2.gz JHVVPHQUJZKASN-UHFFFAOYSA-N 1 1 354.454 3.395 20 5 FGBDMO O=C(CC[N@@H+]1CCC[C@H]1c1nccs1)Nc1cc([N+](=O)[O-])ccc1F ZINC000372596846 499151367 /nfs/dbraw/zinc/15/13/67/499151367.db2.gz VNXCMRIGSVVRST-AWEZNQCLSA-N 1 1 364.402 3.356 20 5 FGBDMO O=C(CC[N@H+]1CCC[C@H]1c1nccs1)Nc1cc([N+](=O)[O-])ccc1F ZINC000372596846 499151369 /nfs/dbraw/zinc/15/13/69/499151369.db2.gz VNXCMRIGSVVRST-AWEZNQCLSA-N 1 1 364.402 3.356 20 5 FGBDMO Cc1c([C@H]2CCC[N@H+]2[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cnn1C ZINC000367341798 499184783 /nfs/dbraw/zinc/18/47/83/499184783.db2.gz HFBFYUPQTAUDBJ-RDTXWAMCSA-N 1 1 371.441 3.109 20 5 FGBDMO Cc1c([C@H]2CCC[N@@H+]2[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cnn1C ZINC000367341798 499184785 /nfs/dbraw/zinc/18/47/85/499184785.db2.gz HFBFYUPQTAUDBJ-RDTXWAMCSA-N 1 1 371.441 3.109 20 5 FGBDMO C[N@@H+](C[C@@H]1CC12CCN(c1ncnc3sc([N+](=O)[O-])cc31)CC2)C1CC1 ZINC000367345382 499185336 /nfs/dbraw/zinc/18/53/36/499185336.db2.gz HLQBQEDBIRJNIY-LBPRGKRZSA-N 1 1 373.482 3.300 20 5 FGBDMO C[C@H](C(=O)N1CC[NH+](CCc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000573184927 506138079 /nfs/dbraw/zinc/13/80/79/506138079.db2.gz RYQKNPZCUGIBEY-KRWDZBQOSA-N 1 1 367.449 3.085 20 5 FGBDMO Cn1cc[nH+]c1C[C@@H]1CCCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000370643151 499238920 /nfs/dbraw/zinc/23/89/20/499238920.db2.gz IGZLEBHWJUAJMD-AWEZNQCLSA-N 1 1 351.410 3.336 20 5 FGBDMO Cc1c(CC(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccs2)cccc1[N+](=O)[O-] ZINC000370816137 499258004 /nfs/dbraw/zinc/25/80/04/499258004.db2.gz JEJMDMOHPQMEOP-HNAYVOBHSA-N 1 1 373.478 3.316 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CC[N@@H+](C)[C@H]2C1 ZINC000371488136 499333192 /nfs/dbraw/zinc/33/31/92/499333192.db2.gz JDOIJTYYIOYOFS-BBRMVZONSA-N 1 1 363.483 3.262 20 5 FGBDMO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC(CO)(Nc2ccccc2)CC1 ZINC000369513095 499410842 /nfs/dbraw/zinc/41/08/42/499410842.db2.gz WPMBKIZKWURKOV-UHFFFAOYSA-N 1 1 359.401 3.173 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCOCC4(CCCC4)C3)n2)cc1 ZINC000372272928 499415712 /nfs/dbraw/zinc/41/57/12/499415712.db2.gz JUSINHWCQTUJSW-UHFFFAOYSA-N 1 1 358.398 3.037 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCOCC4(CCCC4)C3)n2)cc1 ZINC000372272928 499415714 /nfs/dbraw/zinc/41/57/14/499415714.db2.gz JUSINHWCQTUJSW-UHFFFAOYSA-N 1 1 358.398 3.037 20 5 FGBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3c[nH]nc3-c3ccccc3)C2)c1 ZINC000372275531 499415813 /nfs/dbraw/zinc/41/58/13/499415813.db2.gz WXMGCCUUZCHYQI-INIZCTEOSA-N 1 1 352.398 3.019 20 5 FGBDMO C[N@H+]1CC[C@H](CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000369570157 499420009 /nfs/dbraw/zinc/42/00/09/499420009.db2.gz QAKDMZBRXHEYOT-XNLPSNFCSA-N 1 1 371.462 3.479 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)c1 ZINC000372436972 499434901 /nfs/dbraw/zinc/43/49/01/499434901.db2.gz XQGGDZXPQKKHIZ-GFCCVEGCSA-N 1 1 364.352 3.366 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@@H](c3ccncn3)C2)c1 ZINC000372436972 499434902 /nfs/dbraw/zinc/43/49/02/499434902.db2.gz XQGGDZXPQKKHIZ-GFCCVEGCSA-N 1 1 364.352 3.366 20 5 FGBDMO COc1cc(CN2CCC([N@H+]3CCC[C@@H]3C)CC2)c([N+](=O)[O-])cc1F ZINC000373341466 499464354 /nfs/dbraw/zinc/46/43/54/499464354.db2.gz YBUBDJRQIWIOKL-ZDUSSCGKSA-N 1 1 351.422 3.191 20 5 FGBDMO Cc1n[nH]cc1C1CC[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000375336886 499508559 /nfs/dbraw/zinc/50/85/59/499508559.db2.gz PSTVRHQXLCWVHT-UHFFFAOYSA-N 1 1 368.397 3.056 20 5 FGBDMO CCNc1ccc(C(=O)NCCC[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000379543551 499541716 /nfs/dbraw/zinc/54/17/16/499541716.db2.gz YCKXGNYQBKMSFT-UHFFFAOYSA-N 1 1 370.453 3.279 20 5 FGBDMO Cc1ncc(C[N@H+]2CC[C@H](Nc3cc(N)ccc3[N+](=O)[O-])[C@H](C)C2)s1 ZINC000375697591 499546382 /nfs/dbraw/zinc/54/63/82/499546382.db2.gz OBUAENDBFKMKEZ-ABAIWWIYSA-N 1 1 361.471 3.264 20 5 FGBDMO CC(C)n1ncc2c1[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC2 ZINC000375719733 499548752 /nfs/dbraw/zinc/54/87/52/499548752.db2.gz OVFYONWUFZGLAX-HNNXBMFYSA-N 1 1 359.386 3.448 20 5 FGBDMO CNc1c(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000390713822 499555224 /nfs/dbraw/zinc/55/52/24/499555224.db2.gz BPEMVQUPLHELCA-INIZCTEOSA-N 1 1 368.437 3.031 20 5 FGBDMO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398121576 499566748 /nfs/dbraw/zinc/56/67/48/499566748.db2.gz HFOYKSPFXFIFKF-WMLDXEAASA-N 1 1 357.458 3.442 20 5 FGBDMO Cc1[nH+]c(CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])c2n1CCCC2 ZINC000376431128 499608350 /nfs/dbraw/zinc/60/83/50/499608350.db2.gz ZGIRRGDYBYCBHM-UHFFFAOYSA-N 1 1 355.320 3.462 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCC[C@@H](c4nnc[nH]4)C3)o2)c1 ZINC000377245787 499673369 /nfs/dbraw/zinc/67/33/69/499673369.db2.gz OQECIEOULBPTFG-CQSZACIVSA-N 1 1 353.382 3.353 20 5 FGBDMO CC(C)Oc1cc(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000411144626 499702637 /nfs/dbraw/zinc/70/26/37/499702637.db2.gz AFEMAAIQGKTMHP-HNNXBMFYSA-N 1 1 361.398 3.008 20 5 FGBDMO CC(C)[C@@]1(CO)CC[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000377684501 499719287 /nfs/dbraw/zinc/71/92/87/499719287.db2.gz WTVSAMIPDZOFPG-ACJLOTCBSA-N 1 1 360.414 3.046 20 5 FGBDMO Cc1cccc(NC2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)[nH+]1 ZINC000377693441 499721166 /nfs/dbraw/zinc/72/11/66/499721166.db2.gz OTHUICKSUBMZIP-JXMROGBWSA-N 1 1 366.421 3.415 20 5 FGBDMO COc1ccc(C[N@H+]2CCCN3c4ccccc4C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000576434395 506156944 /nfs/dbraw/zinc/15/69/44/506156944.db2.gz DDAABJQZVZDDPF-QGZVFWFLSA-N 1 1 353.422 3.240 20 5 FGBDMO CC[C@H](O)C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000411396742 499734124 /nfs/dbraw/zinc/73/41/24/499734124.db2.gz GHXYRWYSTBUVBB-IBGZPJMESA-N 1 1 371.437 3.197 20 5 FGBDMO C[C@H]1COC[C@@H](c2ccccc2)[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411425276 499738538 /nfs/dbraw/zinc/73/85/38/499738538.db2.gz MFGWFIWKIRPHNE-KXBFYZLASA-N 1 1 369.421 3.385 20 5 FGBDMO C[C@H]1COC[C@@H](c2ccccc2)[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411425276 499738540 /nfs/dbraw/zinc/73/85/40/499738540.db2.gz MFGWFIWKIRPHNE-KXBFYZLASA-N 1 1 369.421 3.385 20 5 FGBDMO O=C(CC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1)Nc1ccc(Cl)cc1 ZINC000411474891 499745159 /nfs/dbraw/zinc/74/51/59/499745159.db2.gz CTWLTSGKMCYDFS-UHFFFAOYSA-N 1 1 360.801 3.030 20 5 FGBDMO C[C@H]1C[C@H](c2cccnc2)[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000411532678 499751922 /nfs/dbraw/zinc/75/19/22/499751922.db2.gz ZMIRQKYDGNUNHF-KBXCAEBGSA-N 1 1 354.410 3.402 20 5 FGBDMO COc1ccc(NC(=O)CC[N@H+]2CC(C)(C)[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000411770940 499788965 /nfs/dbraw/zinc/78/89/65/499788965.db2.gz NXPSEOGNRDABJA-ZBFHGGJFSA-N 1 1 361.442 3.443 20 5 FGBDMO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000412058423 499818840 /nfs/dbraw/zinc/81/88/40/499818840.db2.gz VFHOKSAYYPQBSF-HNNXBMFYSA-N 1 1 351.834 3.225 20 5 FGBDMO O=C1CCCN1[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000412058423 499818842 /nfs/dbraw/zinc/81/88/42/499818842.db2.gz VFHOKSAYYPQBSF-HNNXBMFYSA-N 1 1 351.834 3.225 20 5 FGBDMO CC(C)Oc1cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000412144572 499827747 /nfs/dbraw/zinc/82/77/47/499827747.db2.gz GRKLUDBXAWFWMQ-MQVJKMGUSA-N 1 1 361.442 3.127 20 5 FGBDMO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3cccs3)CC2)c(C(F)(F)F)c1 ZINC000413023538 499904724 /nfs/dbraw/zinc/90/47/24/499904724.db2.gz BBNHTDJXRWBGRG-UHFFFAOYSA-N 1 1 372.372 3.392 20 5 FGBDMO CNC(=O)[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000421377085 500032834 /nfs/dbraw/zinc/03/28/34/500032834.db2.gz HKIDPQPMGXFIOJ-NSHDSACASA-N 1 1 363.801 3.076 20 5 FGBDMO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1nnc3n1CCCCC3)CCCC2 ZINC000417320108 500039099 /nfs/dbraw/zinc/03/90/99/500039099.db2.gz IVCVHGADPGLMQJ-KRWDZBQOSA-N 1 1 355.442 3.470 20 5 FGBDMO COC(=O)[C@H](CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000425428046 500103208 /nfs/dbraw/zinc/10/32/08/500103208.db2.gz VQFVCMMTBQTAEP-LJQANCHMSA-N 1 1 354.406 3.300 20 5 FGBDMO COC(=O)[C@H](CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000425428046 500103214 /nfs/dbraw/zinc/10/32/14/500103214.db2.gz VQFVCMMTBQTAEP-LJQANCHMSA-N 1 1 354.406 3.300 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000430192962 500206662 /nfs/dbraw/zinc/20/66/62/500206662.db2.gz DXEQAYCHBKYNJW-IBGZPJMESA-N 1 1 356.422 3.475 20 5 FGBDMO CNC(=O)[C@]1(C)CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000430772422 500282597 /nfs/dbraw/zinc/28/25/97/500282597.db2.gz BAAZGDCGARPNAM-GOSISDBHSA-N 1 1 359.451 3.281 20 5 FGBDMO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000431944409 500446418 /nfs/dbraw/zinc/44/64/18/500446418.db2.gz XWZVLOSFEIDAPF-YOEHRIQHSA-N 1 1 364.833 3.218 20 5 FGBDMO CCN1CCC([N@@H+]2CCCN([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000421020091 500555580 /nfs/dbraw/zinc/55/55/80/500555580.db2.gz YWKKZJDJMUYHHI-KRWDZBQOSA-N 1 1 360.502 3.148 20 5 FGBDMO CCN1CCC([N@H+]2CCCN([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000421020091 500555585 /nfs/dbraw/zinc/55/55/85/500555585.db2.gz YWKKZJDJMUYHHI-KRWDZBQOSA-N 1 1 360.502 3.148 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421021409 500557347 /nfs/dbraw/zinc/55/73/47/500557347.db2.gz SOIQMRMFWJUFSC-CHWSQXEVSA-N 1 1 369.849 3.060 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@@H](CCO)CC1 ZINC000421021409 500557349 /nfs/dbraw/zinc/55/73/49/500557349.db2.gz SOIQMRMFWJUFSC-CHWSQXEVSA-N 1 1 369.849 3.060 20 5 FGBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[N@H+]1CCC[C@H](C)C1 ZINC000437183703 500611375 /nfs/dbraw/zinc/61/13/75/500611375.db2.gz MPAHEHBISVELLT-RYUDHWBXSA-N 1 1 373.375 3.464 20 5 FGBDMO CCc1ccc([C@H]2CC[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)cc1 ZINC000433052927 500614161 /nfs/dbraw/zinc/61/41/61/500614161.db2.gz NIKCHBAMCMDGIL-KRWDZBQOSA-N 1 1 353.422 3.246 20 5 FGBDMO CC(C)c1nnc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000447578392 500628153 /nfs/dbraw/zinc/62/81/53/500628153.db2.gz FFKTYAGPQAZOQS-NWDGAFQWSA-N 1 1 350.448 3.040 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H]1c1ccccc1 ZINC000437575784 500663010 /nfs/dbraw/zinc/66/30/10/500663010.db2.gz GPLLTDXKXAUFON-QGZVFWFLSA-N 1 1 355.394 3.379 20 5 FGBDMO C[C@@]1(c2ccccc2)CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000438478303 500790236 /nfs/dbraw/zinc/79/02/36/500790236.db2.gz MBBALEFIDBMUCX-OAQYLSRUSA-N 1 1 365.433 3.148 20 5 FGBDMO CCC[C@@]1(C)CCC[N@@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000438824397 500823369 /nfs/dbraw/zinc/82/33/69/500823369.db2.gz DCMYQYVJKFVBQY-LPHOPBHVSA-N 1 1 359.426 3.129 20 5 FGBDMO CCC[C@@]1(C)CCC[N@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000438824397 500823372 /nfs/dbraw/zinc/82/33/72/500823372.db2.gz DCMYQYVJKFVBQY-LPHOPBHVSA-N 1 1 359.426 3.129 20 5 FGBDMO CCCCNC(=O)C1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCCCC1 ZINC000444682611 500877629 /nfs/dbraw/zinc/87/76/29/500877629.db2.gz UXSNRQNSMZQNGR-UHFFFAOYSA-N 1 1 373.457 3.180 20 5 FGBDMO Cc1c(CC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000439306010 500883617 /nfs/dbraw/zinc/88/36/17/500883617.db2.gz WNBDWUIQFYQUOY-IBGZPJMESA-N 1 1 367.449 3.179 20 5 FGBDMO Cc1ccc([C@]2(C)CC[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000434748190 500888958 /nfs/dbraw/zinc/88/89/58/500888958.db2.gz NZLSISWFHCRUBZ-GHTZIAJQSA-N 1 1 370.449 3.307 20 5 FGBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H](O)COc1ccccc1 ZINC000444805165 500903929 /nfs/dbraw/zinc/90/39/29/500903929.db2.gz SXTQSCLTUWWDIL-QGZVFWFLSA-N 1 1 362.401 3.384 20 5 FGBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H](O)COc1ccccc1 ZINC000444805165 500903931 /nfs/dbraw/zinc/90/39/31/500903931.db2.gz SXTQSCLTUWWDIL-QGZVFWFLSA-N 1 1 362.401 3.384 20 5 FGBDMO COCC[N@H+](CCc1ccccc1)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000434897891 500909661 /nfs/dbraw/zinc/90/96/61/500909661.db2.gz AARMMNSGFQFSPT-UHFFFAOYSA-N 1 1 371.437 3.033 20 5 FGBDMO COCC[N@@H+](CCc1ccccc1)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000434897891 500909663 /nfs/dbraw/zinc/90/96/63/500909663.db2.gz AARMMNSGFQFSPT-UHFFFAOYSA-N 1 1 371.437 3.033 20 5 FGBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000444858736 500912395 /nfs/dbraw/zinc/91/23/95/500912395.db2.gz MCQGFTIHUNIUJX-ZDUSSCGKSA-N 1 1 370.409 3.322 20 5 FGBDMO Cc1[nH+]ccn1CCCCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444994300 500930630 /nfs/dbraw/zinc/93/06/30/500930630.db2.gz VOWQKTANOGFCNG-UHFFFAOYSA-N 1 1 374.444 3.396 20 5 FGBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000449360168 500986441 /nfs/dbraw/zinc/98/64/41/500986441.db2.gz HHQCVZPIKSFGKJ-MSOLQXFVSA-N 1 1 373.478 3.228 20 5 FGBDMO CCC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000440308683 500995128 /nfs/dbraw/zinc/99/51/28/500995128.db2.gz SQRYZSOECNJSHA-MRXNPFEDSA-N 1 1 352.431 3.263 20 5 FGBDMO CC(C)c1ccc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc1[N+](=O)[O-] ZINC000449413651 500997492 /nfs/dbraw/zinc/99/74/92/500997492.db2.gz SKLUULSJFSBUCO-DLBZAZTESA-N 1 1 367.449 3.499 20 5 FGBDMO Cc1cccc(C)c1OCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440484890 501013699 /nfs/dbraw/zinc/01/36/99/501013699.db2.gz IPMOLLFFWQFINH-INIZCTEOSA-N 1 1 356.426 3.172 20 5 FGBDMO CCn1ccnc1[C@H](C)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000449562227 501033828 /nfs/dbraw/zinc/03/38/28/501033828.db2.gz ICWRRVIPVAZOHY-ZDUSSCGKSA-N 1 1 354.414 3.063 20 5 FGBDMO C[N@H+]1CCN(CCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1(C)C ZINC000440651134 501034812 /nfs/dbraw/zinc/03/48/12/501034812.db2.gz PEIKCFDOFJIMMU-UHFFFAOYSA-N 1 1 360.380 3.052 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(OCCOC(C)C)CC1 ZINC000449726721 501070070 /nfs/dbraw/zinc/07/00/70/501070070.db2.gz LUNQLZZEZXLKAV-UHFFFAOYSA-N 1 1 366.458 3.400 20 5 FGBDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1c1ccccc1 ZINC000449752486 501075735 /nfs/dbraw/zinc/07/57/35/501075735.db2.gz FWBBQEUSCGIHIU-QZTJIDSGSA-N 1 1 354.406 3.292 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000441045947 501079719 /nfs/dbraw/zinc/07/97/19/501079719.db2.gz MLZFIGYXLBHRGT-KBXCAEBGSA-N 1 1 369.421 3.166 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000441045947 501079724 /nfs/dbraw/zinc/07/97/24/501079724.db2.gz MLZFIGYXLBHRGT-KBXCAEBGSA-N 1 1 369.421 3.166 20 5 FGBDMO COC[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000449781402 501084882 /nfs/dbraw/zinc/08/48/82/501084882.db2.gz XBQHGSVZJGREMD-HNNXBMFYSA-N 1 1 358.442 3.244 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[NH2+]Cc1cnccc1C(F)(F)F)OCCO2 ZINC000596063882 506236350 /nfs/dbraw/zinc/23/63/50/506236350.db2.gz YRNPLZMMHYBVOK-UHFFFAOYSA-N 1 1 369.299 3.070 20 5 FGBDMO Cc1nn(-c2ccccc2)cc1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446834714 501170384 /nfs/dbraw/zinc/17/03/84/501170384.db2.gz YGAUCKTWYUCPOA-UHFFFAOYSA-N 1 1 362.393 3.255 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cnn(Cc4ccccc4)c3)nc2c1 ZINC000446834763 501170592 /nfs/dbraw/zinc/17/05/92/501170592.db2.gz IRXNPWBPSMDMFF-UHFFFAOYSA-N 1 1 362.393 3.006 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cc(F)cc4cccnc43)nc2c1 ZINC000446843526 501172702 /nfs/dbraw/zinc/17/27/02/501172702.db2.gz OCBOWKQEWBMUIT-UHFFFAOYSA-N 1 1 351.341 3.448 20 5 FGBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000446849080 501173393 /nfs/dbraw/zinc/17/33/93/501173393.db2.gz LKXNBWRTDZJVIO-ZBFHGGJFSA-N 1 1 365.437 3.396 20 5 FGBDMO C[C@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000446849080 501173394 /nfs/dbraw/zinc/17/33/94/501173394.db2.gz LKXNBWRTDZJVIO-ZBFHGGJFSA-N 1 1 365.437 3.396 20 5 FGBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000450810694 501212807 /nfs/dbraw/zinc/21/28/07/501212807.db2.gz MYZXHQXFDGCZQH-HNNXBMFYSA-N 1 1 357.458 3.078 20 5 FGBDMO Cn1cc[nH+]c1CC1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000450321615 501233588 /nfs/dbraw/zinc/23/35/88/501233588.db2.gz TWGAOZDTAZRGNZ-UHFFFAOYSA-N 1 1 351.410 3.336 20 5 FGBDMO C[C@@H]1Cc2[nH+]cn(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c2C[C@@H]1C ZINC000451334705 501267931 /nfs/dbraw/zinc/26/79/31/501267931.db2.gz BCUHUZBWTGBJIA-MNOVXSKESA-N 1 1 362.817 3.454 20 5 FGBDMO C[C@@H]1Cc2c([nH+]cn2CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000451340379 501269949 /nfs/dbraw/zinc/26/99/49/501269949.db2.gz KVIQTDNWHLJZHZ-WDEREUQCSA-N 1 1 362.817 3.454 20 5 FGBDMO CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1(C)C ZINC000451488661 501304840 /nfs/dbraw/zinc/30/48/40/501304840.db2.gz BIHHTYXZCOAXNE-HUUCEWRRSA-N 1 1 360.414 3.327 20 5 FGBDMO Cc1ccsc1CNC(=O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548434 501320137 /nfs/dbraw/zinc/32/01/37/501320137.db2.gz NDURRXAJCHDIIU-MRXNPFEDSA-N 1 1 373.478 3.461 20 5 FGBDMO Cc1ccsc1CNC(=O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548434 501320140 /nfs/dbraw/zinc/32/01/40/501320140.db2.gz NDURRXAJCHDIIU-MRXNPFEDSA-N 1 1 373.478 3.461 20 5 FGBDMO CN(Cc1cccs1)C(=O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451576111 501329192 /nfs/dbraw/zinc/32/91/92/501329192.db2.gz UBUZLPRCFHFFJQ-INIZCTEOSA-N 1 1 373.478 3.494 20 5 FGBDMO CN(Cc1cccs1)C(=O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451576111 501329193 /nfs/dbraw/zinc/32/91/93/501329193.db2.gz UBUZLPRCFHFFJQ-INIZCTEOSA-N 1 1 373.478 3.494 20 5 FGBDMO CON1CCC([N@@H+](C)Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000453614778 501362550 /nfs/dbraw/zinc/36/25/50/501362550.db2.gz DKJJEERLYWMIMQ-UHFFFAOYSA-N 1 1 362.455 3.176 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC3(CCC3)[C@@H]2c2ccco2)c1 ZINC000451845336 501384575 /nfs/dbraw/zinc/38/45/75/501384575.db2.gz UUNKNXKKWVPLOE-QAPCUYQASA-N 1 1 358.394 3.155 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC3(CCC3)[C@@H]2c2ccco2)c1 ZINC000451845336 501384576 /nfs/dbraw/zinc/38/45/76/501384576.db2.gz UUNKNXKKWVPLOE-QAPCUYQASA-N 1 1 358.394 3.155 20 5 FGBDMO CO[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C12CCC2 ZINC000451845195 501384771 /nfs/dbraw/zinc/38/47/71/501384771.db2.gz IDZCXSGTNTVSTG-SJORKVTESA-N 1 1 361.442 3.121 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@]3(CCSC3)C2)cccc1[N+](=O)[O-] ZINC000451978033 501411963 /nfs/dbraw/zinc/41/19/63/501411963.db2.gz OCZMCQRRAHEFGS-SFHVURJKSA-N 1 1 363.483 3.451 20 5 FGBDMO CC[C@H](NC(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000458526798 501466040 /nfs/dbraw/zinc/46/60/40/501466040.db2.gz YFRZBSLBQBSGCG-KDOFPFPSSA-N 1 1 360.458 3.172 20 5 FGBDMO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+](Cc2ccccc2)C1 ZINC000456324335 501498094 /nfs/dbraw/zinc/49/80/94/501498094.db2.gz FIUDZSQGARUSKL-OAHLLOKOSA-N 1 1 371.412 3.328 20 5 FGBDMO C[N@H+]1CCC[C@H](CCNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000459262342 501620926 /nfs/dbraw/zinc/62/09/26/501620926.db2.gz LQKKEJJAWUTSFK-OAHLLOKOSA-N 1 1 360.458 3.001 20 5 FGBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000457099619 501650505 /nfs/dbraw/zinc/65/05/05/501650505.db2.gz VNTAYRXTMZJRGJ-ZDUSSCGKSA-N 1 1 371.890 3.281 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC4(CCC4)[C@@H]4COC[C@@H]43)o2)c1 ZINC000459684243 501698771 /nfs/dbraw/zinc/69/87/71/501698771.db2.gz UMKNBFNYXGKJHA-SJORKVTESA-N 1 1 369.421 3.293 20 5 FGBDMO C[C@@]1(Cc2ccccc2)CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000467219682 501741754 /nfs/dbraw/zinc/74/17/54/501741754.db2.gz URXYMEGSEJNPGQ-FPOVZHCZSA-N 1 1 370.449 3.432 20 5 FGBDMO CN(c1nc2sccn2c1[N+](=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470870672 501836728 /nfs/dbraw/zinc/83/67/28/501836728.db2.gz AWWYYLBGWNGSJY-HNNXBMFYSA-N 1 1 371.466 3.405 20 5 FGBDMO COc1ccc(-c2ccc(C[N@@H+]3CCO[C@@H](C4CC4)C3)o2)c([N+](=O)[O-])c1 ZINC000485712368 501911191 /nfs/dbraw/zinc/91/11/91/501911191.db2.gz SMDZDQLYQKTREG-LJQANCHMSA-N 1 1 358.394 3.474 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+]3CCO[C@@H](C4CC4)C3)o2)c([N+](=O)[O-])c1 ZINC000485712368 501911192 /nfs/dbraw/zinc/91/11/92/501911192.db2.gz SMDZDQLYQKTREG-LJQANCHMSA-N 1 1 358.394 3.474 20 5 FGBDMO CSc1cccc(C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000485730188 501918008 /nfs/dbraw/zinc/91/80/08/501918008.db2.gz DOQARAIIYZBWOZ-OLZOCXBDSA-N 1 1 351.472 3.309 20 5 FGBDMO C[C@H](CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)OCc1ccccc1 ZINC000474969273 502007342 /nfs/dbraw/zinc/00/73/42/502007342.db2.gz BMAGZRUXYHCOIZ-AEFFLSMTSA-N 1 1 370.453 3.471 20 5 FGBDMO CCc1ccc([C@H]([NH2+]C[C@@]2(OC)CCOC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000461090035 502010160 /nfs/dbraw/zinc/01/01/60/502010160.db2.gz YIXQEXKPUSOEME-MOPGFXCFSA-N 1 1 360.410 3.235 20 5 FGBDMO C[C@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@@H]1C ZINC000478671897 502052595 /nfs/dbraw/zinc/05/25/95/502052595.db2.gz URITXTKCPZBOOJ-JKSUJKDBSA-N 1 1 362.474 3.166 20 5 FGBDMO CCC[C@H]1[C@@H](C)CCC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000464743679 502079513 /nfs/dbraw/zinc/07/95/13/502079513.db2.gz ZZHVPPLHFDBLJT-JSGCOSHPSA-N 1 1 363.414 3.163 20 5 FGBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](CC[S@](=O)c3ccccc3)CC2)cc1 ZINC000464772130 502088882 /nfs/dbraw/zinc/08/88/82/502088882.db2.gz FWNAOAQRSPMFSI-SANMLTNESA-N 1 1 374.462 3.246 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000468635564 502132583 /nfs/dbraw/zinc/13/25/83/502132583.db2.gz QSBFFZLHWLDPOQ-QIPHDZALSA-N 1 1 359.470 3.089 20 5 FGBDMO COc1ccc(C[N@H+]2C[C@H](O)C[C@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000471813033 502143516 /nfs/dbraw/zinc/14/35/16/502143516.db2.gz XPFKSBAKPJXZDO-RDTXWAMCSA-N 1 1 372.421 3.138 20 5 FGBDMO COC(=O)COc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000468689550 502147530 /nfs/dbraw/zinc/14/75/30/502147530.db2.gz UUVAOIULHJARFO-UHFFFAOYSA-N 1 1 364.785 3.090 20 5 FGBDMO CCn1cc(C[N@H+](CCO)Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cn1 ZINC000475495957 502190044 /nfs/dbraw/zinc/19/00/44/502190044.db2.gz FNFCGROFMYSXOP-UHFFFAOYSA-N 1 1 370.409 3.066 20 5 FGBDMO CCn1cc(C[N@@H+](CCO)Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cn1 ZINC000475495957 502190049 /nfs/dbraw/zinc/19/00/49/502190049.db2.gz FNFCGROFMYSXOP-UHFFFAOYSA-N 1 1 370.409 3.066 20 5 FGBDMO CCOc1cc(N2CC[NH+](Cc3ncccc3C)CC2)ccc1[N+](=O)[O-] ZINC000475507939 502195566 /nfs/dbraw/zinc/19/55/66/502195566.db2.gz NOHXLBMJKZSYHB-UHFFFAOYSA-N 1 1 356.426 3.019 20 5 FGBDMO Cc1cc(N[C@@H](C)[C@H](C)[NH+]2CCOCC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461783339 502200694 /nfs/dbraw/zinc/20/06/94/502200694.db2.gz DRXTXZLNBOCDRW-RYUDHWBXSA-N 1 1 361.364 3.443 20 5 FGBDMO C[C@@H](CCNC(=O)CNc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000472062637 502216052 /nfs/dbraw/zinc/21/60/52/502216052.db2.gz AQYJRYPFKAPSKF-INIZCTEOSA-N 1 1 370.453 3.034 20 5 FGBDMO CCOC(=O)c1c[nH+]ccc1NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000479294373 502216546 /nfs/dbraw/zinc/21/65/46/502216546.db2.gz HDDCNHFWFLBWNF-UHFFFAOYSA-N 1 1 369.299 3.219 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000475669927 502248184 /nfs/dbraw/zinc/24/81/84/502248184.db2.gz SVXDAKROMLDVGU-HXUWFJFHSA-N 1 1 356.422 3.173 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@]4(CCCOC4)C3)n2)c1 ZINC000475740075 502274328 /nfs/dbraw/zinc/27/43/28/502274328.db2.gz PDJXWAYFORXBDA-SFHVURJKSA-N 1 1 358.398 3.037 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@]4(CCCOC4)C3)n2)c1 ZINC000475740075 502274332 /nfs/dbraw/zinc/27/43/32/502274332.db2.gz PDJXWAYFORXBDA-SFHVURJKSA-N 1 1 358.398 3.037 20 5 FGBDMO COc1cc(C[N@@H+](CC2CCC2)[C@H](C)CO)c([N+](=O)[O-])cc1OC(F)F ZINC000483152137 502294026 /nfs/dbraw/zinc/29/40/26/502294026.db2.gz FLXSCLNFVNWACB-LLVKDONJSA-N 1 1 374.384 3.188 20 5 FGBDMO CCC[C@@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000599064236 506304630 /nfs/dbraw/zinc/30/46/30/506304630.db2.gz LNEKEDJGQGPGMC-MRXNPFEDSA-N 1 1 358.442 3.080 20 5 FGBDMO Cc1cc(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000487014605 502331575 /nfs/dbraw/zinc/33/15/75/502331575.db2.gz UUJOWDIPFYTHEC-GOSISDBHSA-N 1 1 367.449 3.198 20 5 FGBDMO CC(C)(C)[C@@H]1CCC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000483259790 502331865 /nfs/dbraw/zinc/33/18/65/502331865.db2.gz NPIINGUHOCQETQ-GFCCVEGCSA-N 1 1 363.414 3.020 20 5 FGBDMO CN(C(=O)C[N@@H+]1CC[C@](C)(c2ccc(F)cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000483400932 502376243 /nfs/dbraw/zinc/37/62/43/502376243.db2.gz DLKXCMOBOWSWDZ-FQEVSTJZSA-N 1 1 371.412 3.360 20 5 FGBDMO CN(C(=O)C[N@H+]1CC[C@](C)(c2ccc(F)cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000483400932 502376251 /nfs/dbraw/zinc/37/62/51/502376251.db2.gz DLKXCMOBOWSWDZ-FQEVSTJZSA-N 1 1 371.412 3.360 20 5 FGBDMO 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Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000511486977 503330091 /nfs/dbraw/zinc/33/00/91/503330091.db2.gz AEFARBPKPJGWEG-UHFFFAOYSA-N 1 1 371.412 3.390 20 5 FGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c1 ZINC000511760930 503382786 /nfs/dbraw/zinc/38/27/86/503382786.db2.gz YROMMWJUVYRNPO-NJDAHSKKSA-N 1 1 368.433 3.478 20 5 FGBDMO CCOc1cc(C[N@H+](C)[C@H](CO)c2ccc(OC)cc2)ccc1[N+](=O)[O-] ZINC000492792662 503385315 /nfs/dbraw/zinc/38/53/15/503385315.db2.gz SWDCNJPIJAPGPK-GOSISDBHSA-N 1 1 360.410 3.168 20 5 FGBDMO CCOc1cc(C[N@@H+](C)[C@H](CO)c2ccc(OC)cc2)ccc1[N+](=O)[O-] ZINC000492792662 503385320 /nfs/dbraw/zinc/38/53/20/503385320.db2.gz SWDCNJPIJAPGPK-GOSISDBHSA-N 1 1 360.410 3.168 20 5 FGBDMO Cn1c[nH+]cc1CCNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000516145751 503455719 /nfs/dbraw/zinc/45/57/19/503455719.db2.gz OJOPAWXHTIVDMO-UHFFFAOYSA-N 1 1 365.262 3.032 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000504089091 503520845 /nfs/dbraw/zinc/52/08/45/503520845.db2.gz FKFXNHHADLRAIN-CVEARBPZSA-N 1 1 363.483 3.454 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000512369068 503530006 /nfs/dbraw/zinc/53/00/06/503530006.db2.gz UGDWQSUIBGEQON-LJQANCHMSA-N 1 1 356.422 3.475 20 5 FGBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000508758340 503559735 /nfs/dbraw/zinc/55/97/35/503559735.db2.gz ILSYULUZXKUMQM-HZSPNIEDSA-N 1 1 359.426 3.437 20 5 FGBDMO COc1ccccc1C[C@@H](C)[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500126731 503560084 /nfs/dbraw/zinc/56/00/84/503560084.db2.gz UMRBUNLWUXLUBH-OAHLLOKOSA-N 1 1 371.437 3.495 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000494656140 503586152 /nfs/dbraw/zinc/58/61/52/503586152.db2.gz NIHFSRWUWGDQEJ-QGZVFWFLSA-N 1 1 361.442 3.123 20 5 FGBDMO O=[N+]([O-])c1cc(F)c(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(F)c1 ZINC000508978857 503612163 /nfs/dbraw/zinc/61/21/63/503612163.db2.gz RHHFHAQWORDNPA-KZULUSFZSA-N 1 1 351.397 3.322 20 5 FGBDMO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(OCC(F)(F)F)cc1 ZINC000540361875 503749703 /nfs/dbraw/zinc/74/97/03/503749703.db2.gz BCUMOKGVQHXDGX-JTQLQIEISA-N 1 1 358.320 3.120 20 5 FGBDMO C[C@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000517556179 503770424 /nfs/dbraw/zinc/77/04/24/503770424.db2.gz JXPAARURGJBDRY-AWEZNQCLSA-N 1 1 355.394 3.163 20 5 FGBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000517556179 503770430 /nfs/dbraw/zinc/77/04/30/503770430.db2.gz JXPAARURGJBDRY-AWEZNQCLSA-N 1 1 355.394 3.163 20 5 FGBDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000537025748 503781208 /nfs/dbraw/zinc/78/12/08/503781208.db2.gz HYCITLGCCAGURC-HOTGVXAUSA-N 1 1 362.474 3.466 20 5 FGBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000533370196 503819969 /nfs/dbraw/zinc/81/99/69/503819969.db2.gz WKJJMJDUFRQWCS-OAHLLOKOSA-N 1 1 358.442 3.316 20 5 FGBDMO Cn1cc(CNCC2([NH+](C)C)CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000537198358 503838136 /nfs/dbraw/zinc/83/81/36/503838136.db2.gz MXPXFCXBCAXJHS-UHFFFAOYSA-N 1 1 371.485 3.349 20 5 FGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000533861626 503973957 /nfs/dbraw/zinc/97/39/57/503973957.db2.gz XHKMKNGERDWVEK-MRXNPFEDSA-N 1 1 366.421 3.488 20 5 FGBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000541015444 503975828 /nfs/dbraw/zinc/97/58/28/503975828.db2.gz ZRYMGBNDOKKFCD-GFCCVEGCSA-N 1 1 371.384 3.046 20 5 FGBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+](C)C[C@H]2CCOC2)cc1OC ZINC000541057267 503988307 /nfs/dbraw/zinc/98/83/07/503988307.db2.gz FICSKFDAOHNDEG-HUUCEWRRSA-N 1 1 366.458 3.497 20 5 FGBDMO Cc1cc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)ccc1[N+](=O)[O-] ZINC000537833273 504057506 /nfs/dbraw/zinc/05/75/06/504057506.db2.gz JVYLFPNXAZOISX-HKUYNNGSSA-N 1 1 355.438 3.198 20 5 FGBDMO C[N@@H+](CCNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000519068385 504131259 /nfs/dbraw/zinc/13/12/59/504131259.db2.gz UJSXVTGCUUWYEZ-UHFFFAOYSA-N 1 1 362.474 3.168 20 5 FGBDMO COc1ccc(F)cc1[C@@H](C)[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000538167742 504151284 /nfs/dbraw/zinc/15/12/84/504151284.db2.gz OCDCAZNJXIKHGI-GFCCVEGCSA-N 1 1 361.373 3.340 20 5 FGBDMO COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)c1 ZINC000538232316 504171583 /nfs/dbraw/zinc/17/15/83/504171583.db2.gz ZKBSXWGVINOLBT-UHFFFAOYSA-N 1 1 369.421 3.492 20 5 FGBDMO COCC[C@@H]([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(C)o1 ZINC000541647379 504210921 /nfs/dbraw/zinc/21/09/21/504210921.db2.gz MHODBIAAXUHZBU-OAHLLOKOSA-N 1 1 361.398 3.111 20 5 FGBDMO CCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H](C)c1ccccc1OC ZINC000534868312 504265106 /nfs/dbraw/zinc/26/51/06/504265106.db2.gz FWCMKINPNYEULM-OAHLLOKOSA-N 1 1 359.426 3.238 20 5 FGBDMO COc1cc(C[N@@H+]2Cc3ccccc3N(C)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000538737811 504351775 /nfs/dbraw/zinc/35/17/75/504351775.db2.gz DNSNUNYFTBWZQP-AWEZNQCLSA-N 1 1 371.437 3.453 20 5 FGBDMO COc1cc(C[N@H+]2Cc3ccccc3N(C)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000538737811 504351779 /nfs/dbraw/zinc/35/17/79/504351779.db2.gz DNSNUNYFTBWZQP-AWEZNQCLSA-N 1 1 371.437 3.453 20 5 FGBDMO Cc1ccccc1C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000519903391 504378551 /nfs/dbraw/zinc/37/85/51/504378551.db2.gz BMOUKPIBCJTRDD-IBGZPJMESA-N 1 1 356.422 3.308 20 5 FGBDMO C[NH+](C)[C@@H](C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)c1cccc(Cl)c1 ZINC000535310498 504399703 /nfs/dbraw/zinc/39/97/03/504399703.db2.gz OIWADPRDGWLVPP-GOSISDBHSA-N 1 1 373.840 3.436 20 5 FGBDMO CC[C@H](Cc1ccc(C)cc1)[N@@H+](CC)CCn1cc([N+](=O)[O-])ccc1=O ZINC000535582902 504476860 /nfs/dbraw/zinc/47/68/60/504476860.db2.gz MXYUWOTVIHYKIV-GOSISDBHSA-N 1 1 357.454 3.408 20 5 FGBDMO Cc1ccccc1C[C@H](C)NC(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000548935112 504628352 /nfs/dbraw/zinc/62/83/52/504628352.db2.gz 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FGBDMO CCOc1ccc(C[N@H+](C)[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000532761760 504753406 /nfs/dbraw/zinc/75/34/06/504753406.db2.gz VPJCEZZCJKYDRV-LJQANCHMSA-N 1 1 369.421 3.231 20 5 FGBDMO CCOc1ccc(C[N@@H+](C)[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000532761760 504753408 /nfs/dbraw/zinc/75/34/08/504753408.db2.gz VPJCEZZCJKYDRV-LJQANCHMSA-N 1 1 369.421 3.231 20 5 FGBDMO O=C(Nc1c[nH+]ccc1-n1cccn1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000521604863 504763619 /nfs/dbraw/zinc/76/36/19/504763619.db2.gz MXSNIHAAGYCGOG-UHFFFAOYSA-N 1 1 364.365 3.002 20 5 FGBDMO CC(C)[N@H+]1CC[C@@H](N(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C2CC2)C1 ZINC000565127179 504801712 /nfs/dbraw/zinc/80/17/12/504801712.db2.gz FRXNHYZYUPEIGQ-QGZVFWFLSA-N 1 1 370.457 3.107 20 5 FGBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000553061652 504816596 /nfs/dbraw/zinc/81/65/96/504816596.db2.gz LPYGWUYBKDLFFU-KRWDZBQOSA-N 1 1 359.470 3.250 20 5 FGBDMO CC[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)C(C)C 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20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]C[C@H](CO)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000550894089 505121454 /nfs/dbraw/zinc/12/14/54/505121454.db2.gz BBZHORUCCCCYRR-IEBWSBKVSA-N 1 1 372.469 3.196 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]CCSCC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000560545195 505121555 /nfs/dbraw/zinc/12/15/55/505121555.db2.gz OJIBDKAVHOCODM-ZDUSSCGKSA-N 1 1 374.388 3.303 20 5 FGBDMO C[C@H]1C[C@@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000557606294 505180799 /nfs/dbraw/zinc/18/07/99/505180799.db2.gz MMUDCXUESVWQDJ-HOCLYGCPSA-N 1 1 368.437 3.159 20 5 FGBDMO Cc1cc(CNc2ccc([N+](=O)[O-])c(OC(C)C)n2)cc(N2CCCC2)[nH+]1 ZINC000566483279 505187215 /nfs/dbraw/zinc/18/72/15/505187215.db2.gz TWLHMWZSVLNBAA-UHFFFAOYSA-N 1 1 371.441 3.115 20 5 FGBDMO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000554600127 505217675 /nfs/dbraw/zinc/21/76/75/505217675.db2.gz ZWDCLGRTPYEFDI-GOSISDBHSA-N 1 1 362.474 3.120 20 5 FGBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC000554672615 505236938 /nfs/dbraw/zinc/23/69/38/505236938.db2.gz YQMRLMBKPIJEAC-UHFFFAOYSA-N 1 1 353.422 3.428 20 5 FGBDMO O=[N+]([O-])c1cc2c(ncnc2NCCC[N@H+]2CCc3ccccc3C2)s1 ZINC000561143374 505261397 /nfs/dbraw/zinc/26/13/97/505261397.db2.gz ZBLHMCVQZJMXRU-UHFFFAOYSA-N 1 1 369.450 3.460 20 5 FGBDMO C[C@@H]1CC[C@@H]([N@@H+](CCO)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000554935884 505303399 /nfs/dbraw/zinc/30/33/99/505303399.db2.gz YSDCPAFWJATTIV-GDBMZVCRSA-N 1 1 359.426 3.275 20 5 FGBDMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000561282508 505303566 /nfs/dbraw/zinc/30/35/66/505303566.db2.gz USTZXXLAPIAZNY-UHFFFAOYSA-N 1 1 359.813 3.205 20 5 FGBDMO CCc1cc(N2CC[N@H+](CC)C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000561357194 505323772 /nfs/dbraw/zinc/32/37/72/505323772.db2.gz UFAMJOMPRPSXPP-AWEZNQCLSA-N 1 1 355.442 3.145 20 5 FGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCn1cc(Br)cn1 ZINC000558218994 505337778 /nfs/dbraw/zinc/33/77/78/505337778.db2.gz WWAJDUSLMAXPHU-LLVKDONJSA-N 1 1 353.220 3.247 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]CC1(CCO)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000552042350 505379369 /nfs/dbraw/zinc/37/93/69/505379369.db2.gz ADJDBMRDMNFGBY-GOSISDBHSA-N 1 1 372.469 3.340 20 5 FGBDMO CC(C)OCCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000558522910 505416003 /nfs/dbraw/zinc/41/60/03/505416003.db2.gz ZKDGIPMJEJKUQS-GFCCVEGCSA-N 1 1 357.838 3.322 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]CCCOC1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000552247455 505440857 /nfs/dbraw/zinc/44/08/57/505440857.db2.gz PMYKNVYOSHIFRS-SFHVURJKSA-N 1 1 358.442 3.357 20 5 FGBDMO CC(C)[N@H+]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C2CC2)CC1 ZINC000567479822 505476058 /nfs/dbraw/zinc/47/60/58/505476058.db2.gz NLFFNOHFTHYUII-UHFFFAOYSA-N 1 1 370.457 3.109 20 5 FGBDMO C[C@@H](O)C[C@H]1COCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000561983014 505485024 /nfs/dbraw/zinc/48/50/24/505485024.db2.gz MPAZLLGBOMIHRA-KGLIPLIRSA-N 1 1 362.451 3.295 20 5 FGBDMO C[C@@H](O)C[C@H]1COCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000561983014 505485029 /nfs/dbraw/zinc/48/50/29/505485029.db2.gz MPAZLLGBOMIHRA-KGLIPLIRSA-N 1 1 362.451 3.295 20 5 FGBDMO CC[N@@H+](CCC1CCN(c2c([N+](=O)[O-])c(C)nn2C)CC1)CC(C)C ZINC000552607070 505521112 /nfs/dbraw/zinc/52/11/12/505521112.db2.gz ZWRDITCVOUUXNA-UHFFFAOYSA-N 1 1 351.495 3.221 20 5 FGBDMO CC(C)(C(=O)NCC[N@H+]1CCc2ccccc2C1)c1ccccc1[N+](=O)[O-] ZINC000555869996 505529981 /nfs/dbraw/zinc/52/99/81/505529981.db2.gz VOJFWEODDOLOJJ-UHFFFAOYSA-N 1 1 367.449 3.047 20 5 FGBDMO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])o1 ZINC000562187520 505535545 /nfs/dbraw/zinc/53/55/45/505535545.db2.gz YYEDAJGHCKRLFN-INIZCTEOSA-N 1 1 357.410 3.220 20 5 FGBDMO COc1ccc(NC(=O)C[N@@H+]2CCc3ccccc3[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000593095504 506391482 /nfs/dbraw/zinc/39/14/82/506391482.db2.gz NMEJMLCRBJCFEL-AWEZNQCLSA-N 1 1 369.421 3.204 20 5 FGBDMO COc1ccc(NC(=O)C[N@H+]2CCc3ccccc3[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000593095504 506391488 /nfs/dbraw/zinc/39/14/88/506391488.db2.gz NMEJMLCRBJCFEL-AWEZNQCLSA-N 1 1 369.421 3.204 20 5 FGBDMO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000596499774 506434220 /nfs/dbraw/zinc/43/42/20/506434220.db2.gz WHTMFGWTDPFHEG-CYBMUJFWSA-N 1 1 366.849 3.492 20 5 FGBDMO COc1cc(Cn2cc(C[N@@H+](C)C3CCCCC3)nn2)ccc1[N+](=O)[O-] ZINC000603243355 506465843 /nfs/dbraw/zinc/46/58/43/506465843.db2.gz LHHAYMCYLCLKJD-UHFFFAOYSA-N 1 1 359.430 3.008 20 5 FGBDMO COC(=O)c1cc(NC[C@H]2CCC[N@@H+](CC3CC3)C2)cc(C)c1[N+](=O)[O-] ZINC000596569714 506466222 /nfs/dbraw/zinc/46/62/22/506466222.db2.gz CURMUVMTEONNEP-OAHLLOKOSA-N 1 1 361.442 3.224 20 5 FGBDMO Cc1noc(CN2CC[N@@H+](Cc3ccccc3)[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000599550691 506495896 /nfs/dbraw/zinc/49/58/96/506495896.db2.gz YCFXBWNQGALSSB-QGZVFWFLSA-N 1 1 358.442 3.234 20 5 FGBDMO O=C(C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599552794 506497363 /nfs/dbraw/zinc/49/73/63/506497363.db2.gz ISGWWOISPISYHG-NEPJUHHUSA-N 1 1 355.847 3.157 20 5 FGBDMO O=C(C[N@H+]1CC[C@H]2CC[C@@H](C1)S2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599552794 506497370 /nfs/dbraw/zinc/49/73/70/506497370.db2.gz ISGWWOISPISYHG-NEPJUHHUSA-N 1 1 355.847 3.157 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+](C)CC2(C)COC2)cc1OC ZINC000599571773 506504848 /nfs/dbraw/zinc/50/48/48/506504848.db2.gz UVAWWIJRBSTLNU-AWEZNQCLSA-N 1 1 366.458 3.497 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000596656768 506514661 /nfs/dbraw/zinc/51/46/61/506514661.db2.gz FQLDSKWIARKLBA-MRXNPFEDSA-N 1 1 360.458 3.142 20 5 FGBDMO COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589513869 506575704 /nfs/dbraw/zinc/57/57/04/506575704.db2.gz NPQNAQWSPKRXKP-SFHVURJKSA-N 1 1 372.421 3.071 20 5 FGBDMO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000603736428 506606473 /nfs/dbraw/zinc/60/64/73/506606473.db2.gz AOBDFUNNLQLLFG-UHFFFAOYSA-N 1 1 365.389 3.129 20 5 FGBDMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000603736428 506606477 /nfs/dbraw/zinc/60/64/77/506606477.db2.gz AOBDFUNNLQLLFG-UHFFFAOYSA-N 1 1 365.389 3.129 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCCC[C@@H]3[C@H]3CCCC[C@H]3O)nc2c1 ZINC000589743993 506641098 /nfs/dbraw/zinc/64/10/98/506641098.db2.gz WBVUPZZOHYQQBT-ZTFGCOKTSA-N 1 1 358.442 3.377 20 5 FGBDMO COc1ccc(C[NH2+][C@@H](Cc2ccccc2)c2nccn2C)cc1[N+](=O)[O-] ZINC000593678042 506725875 /nfs/dbraw/zinc/72/58/75/506725875.db2.gz IYRFFUSVKHQBFV-KRWDZBQOSA-N 1 1 366.421 3.411 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000609157784 506797858 /nfs/dbraw/zinc/79/78/58/506797858.db2.gz WXGIPMSGGVVNKN-CJNGLKHVSA-N 1 1 368.397 3.239 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000609157784 506797865 /nfs/dbraw/zinc/79/78/65/506797865.db2.gz WXGIPMSGGVVNKN-CJNGLKHVSA-N 1 1 368.397 3.239 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+]2CCc3ccc(C)cc3C2)cc1[N+](=O)[O-] ZINC000597185296 506822591 /nfs/dbraw/zinc/82/25/91/506822591.db2.gz WQFIUHVRMAJPCT-UHFFFAOYSA-N 1 1 370.405 3.013 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CCc3ccc(C)cc3C2)cc1[N+](=O)[O-] ZINC000597185296 506822597 /nfs/dbraw/zinc/82/25/97/506822597.db2.gz WQFIUHVRMAJPCT-UHFFFAOYSA-N 1 1 370.405 3.013 20 5 FGBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@]1(CO)CCOC1 ZINC000600179542 506825430 /nfs/dbraw/zinc/82/54/30/506825430.db2.gz ZWAHJPHRXXVAOM-KRWDZBQOSA-N 1 1 366.801 3.091 20 5 FGBDMO O=C1CC[C@@H]2C[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)CC[C@H]2N1 ZINC000597205347 506834092 /nfs/dbraw/zinc/83/40/92/506834092.db2.gz JFQRYXONWNOOOK-RHSMWYFYSA-N 1 1 371.462 3.424 20 5 FGBDMO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C[C@@H]1COCCO1 ZINC000597205334 506834119 /nfs/dbraw/zinc/83/41/19/506834119.db2.gz JABQOTXQJBHLAZ-CQSZACIVSA-N 1 1 366.801 3.355 20 5 FGBDMO O=C1CCCN1C[C@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000597228846 506847533 /nfs/dbraw/zinc/84/75/33/506847533.db2.gz PNAVAAKUQMEKSR-HNNXBMFYSA-N 1 1 369.421 3.299 20 5 FGBDMO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000600230113 506861208 /nfs/dbraw/zinc/86/12/08/506861208.db2.gz ZLIBXAIMYNDMGZ-GOSISDBHSA-N 1 1 370.453 3.073 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cc4cc(Cl)cnc4o3)CC2)cn1 ZINC000590638574 506891326 /nfs/dbraw/zinc/89/13/26/506891326.db2.gz IPRSFQICTHFUBZ-UHFFFAOYSA-N 1 1 373.800 3.107 20 5 FGBDMO CC(C)(C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000600471393 506962742 /nfs/dbraw/zinc/96/27/42/506962742.db2.gz SAWSNQSVWOOTJR-HNNXBMFYSA-N 1 1 363.433 3.145 20 5 FGBDMO Cc1ccsc1C[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000609770857 506994878 /nfs/dbraw/zinc/99/48/78/506994878.db2.gz HPDVGSRDSVHLRG-UHFFFAOYSA-N 1 1 361.423 3.395 20 5 FGBDMO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000610003964 507069639 /nfs/dbraw/zinc/06/96/39/507069639.db2.gz UUYCMBGDGXDVMJ-DYVFJYSZSA-N 1 1 360.385 3.093 20 5 FGBDMO Cc1ccc(NCCCNC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000610091191 507096700 /nfs/dbraw/zinc/09/67/00/507096700.db2.gz RRKLQHGWQVZGED-XHSDSOJGSA-N 1 1 362.474 3.083 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2ncc[nH]2)cc1 ZINC000610150939 507116599 /nfs/dbraw/zinc/11/65/99/507116599.db2.gz QDQURHLWRKQVRP-UHFFFAOYSA-N 1 1 374.404 3.460 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000597859284 507137556 /nfs/dbraw/zinc/13/75/56/507137556.db2.gz SRAFLHDAQOVPQL-GFCCVEGCSA-N 1 1 359.348 3.216 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000597861012 507139095 /nfs/dbraw/zinc/13/90/95/507139095.db2.gz RGDHWWRQKCVTQF-ZDUSSCGKSA-N 1 1 365.449 3.248 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+][C@H]1C[C@H](OC(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000594519291 507167836 /nfs/dbraw/zinc/16/78/36/507167836.db2.gz PJDDRPCHULWFLL-XIRDDKMYSA-N 1 1 358.442 3.353 20 5 FGBDMO COc1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3cc(C)ccc3OC)CC2)c1 ZINC000610272799 507170845 /nfs/dbraw/zinc/17/08/45/507170845.db2.gz BCPWBPHOSNKUPR-UHFFFAOYSA-N 1 1 371.437 3.243 20 5 FGBDMO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597922471 507175687 /nfs/dbraw/zinc/17/56/87/507175687.db2.gz DEGYSXRLJZOJMP-DGCLKSJQSA-N 1 1 369.849 3.005 20 5 FGBDMO C[C@@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594592626 507201482 /nfs/dbraw/zinc/20/14/82/507201482.db2.gz URZKIARUOFYOQV-SDDRHHMPSA-N 1 1 359.373 3.106 20 5 FGBDMO C[C@@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594592626 507201485 /nfs/dbraw/zinc/20/14/85/507201485.db2.gz URZKIARUOFYOQV-SDDRHHMPSA-N 1 1 359.373 3.106 20 5 FGBDMO CCN(C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])[C@H]1CC[N@@H+](CC)C1 ZINC000598040228 507229055 /nfs/dbraw/zinc/22/90/55/507229055.db2.gz NULBLCJYGXAPGY-INIZCTEOSA-N 1 1 368.437 3.213 20 5 FGBDMO Cc1ccc([C@@H](CNC(=O)c2c(F)cccc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000601030125 507234250 /nfs/dbraw/zinc/23/42/50/507234250.db2.gz IPSJSRSRYARUKS-OAHLLOKOSA-N 1 1 361.373 3.202 20 5 FGBDMO O=C(C1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1)N1CCCCC1 ZINC000601100567 507260794 /nfs/dbraw/zinc/26/07/94/507260794.db2.gz NKKRYIDABAGMOK-UHFFFAOYSA-N 1 1 368.437 3.372 20 5 FGBDMO C[C@](CO)([NH2+]Cc1cccc(OC2CC2)c1F)c1cccc([N+](=O)[O-])c1 ZINC000601149798 507277947 /nfs/dbraw/zinc/27/79/47/507277947.db2.gz PQNRXIZFSSFDGW-LJQANCHMSA-N 1 1 360.385 3.272 20 5 FGBDMO C[C@@H]1C[C@]2(CCO1)CN(c1cc[nH+]c3ccc([N+](=O)[O-])cc31)C[C@H](C)O2 ZINC000601158670 507283269 /nfs/dbraw/zinc/28/32/69/507283269.db2.gz AIXVQILMDUTRJQ-BIENJYKASA-N 1 1 357.410 3.306 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@H]3CCO[C@@H](c4ccncc4)C3)c2c1 ZINC000601170498 507286293 /nfs/dbraw/zinc/28/62/93/507286293.db2.gz CBIGCNNWUGBDKW-IFXJQAMLSA-N 1 1 350.378 3.292 20 5 FGBDMO O=[N+]([O-])c1ccc2oc(C[N@H+](CCO)[C@@H]3CCc4ccccc43)nc2c1 ZINC000610581703 507302648 /nfs/dbraw/zinc/30/26/48/507302648.db2.gz DGKBLXDWEPYCDY-QGZVFWFLSA-N 1 1 353.378 3.218 20 5 FGBDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000598195838 507307303 /nfs/dbraw/zinc/30/73/03/507307303.db2.gz UJOZNPLZYVRSAG-INIZCTEOSA-N 1 1 359.451 3.045 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)c1 ZINC000598195412 507308106 /nfs/dbraw/zinc/30/81/06/507308106.db2.gz MWAOHXMSAACVGN-GOSISDBHSA-N 1 1 367.449 3.292 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1ccc(CNC2CC[NH+]([C@@H]3CCOC3)CC2)o1 ZINC000594993855 507345051 /nfs/dbraw/zinc/34/50/51/507345051.db2.gz RXXSHTDQCQXTQT-MRXNPFEDSA-N 1 1 371.437 3.198 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CC(=O)N(c2ccccc2)C1 ZINC000595006380 507350040 /nfs/dbraw/zinc/35/00/40/507350040.db2.gz IUVSZXBSACUBDO-KGLIPLIRSA-N 1 1 355.394 3.060 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000595021574 507357092 /nfs/dbraw/zinc/35/70/92/507357092.db2.gz PSCFCYGNODUNCY-SNVBAGLBSA-N 1 1 358.320 3.213 20 5 FGBDMO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000584461856 507358224 /nfs/dbraw/zinc/35/82/24/507358224.db2.gz DFLCHOWPWCOFPQ-CKEIUWERSA-N 1 1 374.412 3.481 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000595022565 507358544 /nfs/dbraw/zinc/35/85/44/507358544.db2.gz NKZVUBLSRSTYTL-SECBINFHSA-N 1 1 358.320 3.207 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000595054293 507370176 /nfs/dbraw/zinc/37/01/76/507370176.db2.gz ZBMOUDDRCQVJRL-PXAZEXFGSA-N 1 1 373.384 3.199 20 5 FGBDMO Cc1noc(C[NH2+]C2(c3ccc4c(c3)OCCO4)CCCC2)c1[N+](=O)[O-] ZINC000595361338 507470683 /nfs/dbraw/zinc/47/06/83/507470683.db2.gz SSUHHIVUHMHWLD-UHFFFAOYSA-N 1 1 359.382 3.222 20 5 FGBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000598562996 507487900 /nfs/dbraw/zinc/48/79/00/507487900.db2.gz YRBFNRUYTFTVHT-CQSZACIVSA-N 1 1 365.861 3.029 20 5 FGBDMO Cc1noc(C[NH2+][C@@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000595489171 507527214 /nfs/dbraw/zinc/52/72/14/507527214.db2.gz QMFVQALFQKFRCG-CJNGLKHVSA-N 1 1 350.806 3.080 20 5 FGBDMO C[C@H]1CC2(C[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CCOCC2 ZINC000592184043 507527852 /nfs/dbraw/zinc/52/78/52/507527852.db2.gz XWGGQOFCKMAHQV-LBPRGKRZSA-N 1 1 367.833 3.078 20 5 FGBDMO C[C@H]1CC2(C[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CCOCC2 ZINC000592184043 507527860 /nfs/dbraw/zinc/52/78/60/507527860.db2.gz XWGGQOFCKMAHQV-LBPRGKRZSA-N 1 1 367.833 3.078 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H](C(F)F)C2CCCCC2)c1 ZINC000598650366 507534417 /nfs/dbraw/zinc/53/44/17/507534417.db2.gz OSVQZTRPYHDSQB-GOEBONIOSA-N 1 1 358.385 3.138 20 5 FGBDMO C[N@H+]1CC[C@H](CNc2ccncc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000611193840 507556872 /nfs/dbraw/zinc/55/68/72/507556872.db2.gz PEYLWRJOFWRJNJ-SJKOYZFVSA-N 1 1 364.808 3.309 20 5 FGBDMO C[N@H+](CCOc1ccccc1F)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611253165 507581231 /nfs/dbraw/zinc/58/12/31/507581231.db2.gz GZUGVDJRGUJNQZ-UHFFFAOYSA-N 1 1 362.357 3.016 20 5 FGBDMO C[N@@H+](CCOc1ccccc1F)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611253165 507581237 /nfs/dbraw/zinc/58/12/37/507581237.db2.gz GZUGVDJRGUJNQZ-UHFFFAOYSA-N 1 1 362.357 3.016 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(c2cccnc2)CC1 ZINC000611258662 507585269 /nfs/dbraw/zinc/58/52/69/507585269.db2.gz BXLMAJKPYPJDIO-AWEZNQCLSA-N 1 1 354.410 3.196 20 5 FGBDMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611271263 507594704 /nfs/dbraw/zinc/59/47/04/507594704.db2.gz DCXPNVGRLJHNST-ZDUSSCGKSA-N 1 1 358.394 3.135 20 5 FGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000595687879 507627143 /nfs/dbraw/zinc/62/71/43/507627143.db2.gz DSHXVZBUENAYNP-UYHISHBKSA-N 1 1 358.398 3.064 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000611350233 507636824 /nfs/dbraw/zinc/63/68/24/507636824.db2.gz FRVCTGHOYZOQRA-PMPSAXMXSA-N 1 1 361.442 3.060 20 5 FGBDMO C[N@H+]1C[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC000592462801 507664992 /nfs/dbraw/zinc/66/49/92/507664992.db2.gz KJWCWPQORQGDPQ-QAPCUYQASA-N 1 1 354.410 3.062 20 5 FGBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000586773503 507667735 /nfs/dbraw/zinc/66/77/35/507667735.db2.gz QANLATYMRJQYCO-FUHWJXTLSA-N 1 1 359.470 3.250 20 5 FGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000586773503 507667739 /nfs/dbraw/zinc/66/77/39/507667739.db2.gz QANLATYMRJQYCO-FUHWJXTLSA-N 1 1 359.470 3.250 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@H]([C@@H]4CCCCO4)C3)n2)cc1 ZINC000595785297 507683999 /nfs/dbraw/zinc/68/39/99/507683999.db2.gz DDUUIENKIZQURL-RDJZCZTQSA-N 1 1 372.425 3.426 20 5 FGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000602487189 507724479 /nfs/dbraw/zinc/72/44/79/507724479.db2.gz VXVLLXIWOSTSKL-TZMCWYRMSA-N 1 1 362.373 3.320 20 5 FGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000602487189 507724484 /nfs/dbraw/zinc/72/44/84/507724484.db2.gz VXVLLXIWOSTSKL-TZMCWYRMSA-N 1 1 362.373 3.320 20 5 FGBDMO C[C@H]([NH2+]Cc1cc(C(=O)OC(C)(C)C)nn1C)c1cccc([N+](=O)[O-])c1 ZINC000602518085 507734272 /nfs/dbraw/zinc/73/42/72/507734272.db2.gz NFVTXTXOPWSJOS-LBPRGKRZSA-N 1 1 360.414 3.134 20 5 FGBDMO O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611556847 507737470 /nfs/dbraw/zinc/73/74/70/507737470.db2.gz IGVCRQXRSUGKRI-IBGZPJMESA-N 1 1 369.421 3.257 20 5 FGBDMO Cn1ccnc1[C@@H](Nc1ccc2c(c1)[nH+]cn2C)c1cccc([N+](=O)[O-])c1 ZINC000611561066 507741372 /nfs/dbraw/zinc/74/13/72/507741372.db2.gz RPJKYORILKZRHE-SFHVURJKSA-N 1 1 362.393 3.417 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000124282843 700717746 /nfs/dbraw/zinc/71/77/46/700717746.db2.gz JTKHVLBBGHAATH-CYBMUJFWSA-N 1 1 353.850 3.346 20 5 FGBDMO O=C1[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCN1C1CCCCC1 ZINC000131652300 700818143 /nfs/dbraw/zinc/81/81/43/700818143.db2.gz NPHTWSUBIZCIEP-INIZCTEOSA-N 1 1 351.834 3.271 20 5 FGBDMO Cc1cnc(CC[N@@H+](C)CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC000157692562 705160996 /nfs/dbraw/zinc/16/09/96/705160996.db2.gz SDGGDLDZBSAULC-UHFFFAOYSA-N 1 1 368.846 3.126 20 5 FGBDMO Cc1cnc(CC[N@H+](C)CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC000157692562 705160997 /nfs/dbraw/zinc/16/09/97/705160997.db2.gz SDGGDLDZBSAULC-UHFFFAOYSA-N 1 1 368.846 3.126 20 5 FGBDMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000170647410 705354470 /nfs/dbraw/zinc/35/44/70/705354470.db2.gz OZXIRSFSYFVPRJ-LBPRGKRZSA-N 1 1 353.394 3.081 20 5 FGBDMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000170647410 705354473 /nfs/dbraw/zinc/35/44/73/705354473.db2.gz OZXIRSFSYFVPRJ-LBPRGKRZSA-N 1 1 353.394 3.081 20 5 FGBDMO CN(Cc1cc([N+](=O)[O-])ccc1Cl)CC(C)(C)CN1CCOCC1 ZINC000178940210 705682205 /nfs/dbraw/zinc/68/22/05/705682205.db2.gz NXQRYMVDJMAYGX-UHFFFAOYSA-N 1 1 355.866 3.038 20 5 FGBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC(C)(C)CN1CCOCC1 ZINC000178940210 705682206 /nfs/dbraw/zinc/68/22/06/705682206.db2.gz NXQRYMVDJMAYGX-UHFFFAOYSA-N 1 1 355.866 3.038 20 5 FGBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC(C)(C)CN1CCOCC1 ZINC000178940210 705682208 /nfs/dbraw/zinc/68/22/08/705682208.db2.gz NXQRYMVDJMAYGX-UHFFFAOYSA-N 1 1 355.866 3.038 20 5 FGBDMO Cc1ncc(C[N@@H+]2CC[C@H](Nc3ncc([N+](=O)[O-])s3)[C@H](C)C2)s1 ZINC000374424220 713921593 /nfs/dbraw/zinc/92/15/93/713921593.db2.gz PLYDZNMFJUPUBK-SKDRFNHKSA-N 1 1 353.473 3.139 20 5 FGBDMO Cc1ncc(C[N@H+]2CC[C@H](Nc3ncc([N+](=O)[O-])s3)[C@H](C)C2)s1 ZINC000374424220 713921595 /nfs/dbraw/zinc/92/15/95/713921595.db2.gz PLYDZNMFJUPUBK-SKDRFNHKSA-N 1 1 353.473 3.139 20 5 FGBDMO C[C@H]1C[C@@]1([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000503435482 714113513 /nfs/dbraw/zinc/11/35/13/714113513.db2.gz MLCLBDVUFQLQGM-VOJFVSQTSA-N 1 1 359.813 3.372 20 5 FGBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH+]2CCC3(CCCC3)CC2)cc1 ZINC000577022756 714460729 /nfs/dbraw/zinc/46/07/29/714460729.db2.gz SRDKSGGXKQCPNX-UHFFFAOYSA-N 1 1 352.456 3.025 20 5 FGBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000619566990 714853459 /nfs/dbraw/zinc/85/34/59/714853459.db2.gz GINYGUHCWMGGSY-KGLIPLIRSA-N 1 1 351.472 3.018 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](CC3CCC3)CC2)c1 ZINC000619868431 714875651 /nfs/dbraw/zinc/87/56/51/714875651.db2.gz DERGBAICVMDUCI-UHFFFAOYSA-N 1 1 363.483 3.265 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000619868392 714875710 /nfs/dbraw/zinc/87/57/10/714875710.db2.gz HYEIRMYVUGXRNG-UHFFFAOYSA-N 1 1 351.834 3.196 20 5 FGBDMO CC(C)[C@@H](C(=O)OCc1c(F)cc([N+](=O)[O-])cc1F)[NH+]1CCCCC1 ZINC000803362049 724445752 /nfs/dbraw/zinc/44/57/52/724445752.db2.gz SSHLSBAAYROQEK-INIZCTEOSA-N 1 1 356.369 3.427 20 5 FGBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](CCc2cccs2)CC1 ZINC000804371294 724508766 /nfs/dbraw/zinc/50/87/66/724508766.db2.gz ADHJVHVCRCYZCE-UHFFFAOYSA-N 1 1 359.451 3.224 20 5 FGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000804399705 724512183 /nfs/dbraw/zinc/51/21/83/724512183.db2.gz DBYGTIKSKWOAOD-GASCZTMLSA-N 1 1 366.893 3.243 20 5 FGBDMO O=[N+]([O-])c1cnc(Cl)nc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164628733 719055591 /nfs/dbraw/zinc/05/55/91/719055591.db2.gz ZOPSXHXMUPTMFG-GDBMZVCRSA-N 1 1 373.844 3.139 20 5 FGBDMO O=[N+]([O-])c1cc(F)cnc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164629137 719065149 /nfs/dbraw/zinc/06/51/49/719065149.db2.gz VXOVIUOAVXPNBO-CRAIPNDOSA-N 1 1 356.401 3.230 20 5 FGBDMO CN1CCN(c2cc[nH+]cc2NCc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000783651755 724775162 /nfs/dbraw/zinc/77/51/62/724775162.db2.gz UPAZOBULSYPOGG-UHFFFAOYSA-N 1 1 361.833 3.007 20 5 FGBDMO O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000715597178 722416033 /nfs/dbraw/zinc/41/60/33/722416033.db2.gz OZBUFUCRBOONTP-HNNXBMFYSA-N 1 1 359.813 3.253 20 5 FGBDMO O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000715597178 722416034 /nfs/dbraw/zinc/41/60/34/722416034.db2.gz OZBUFUCRBOONTP-HNNXBMFYSA-N 1 1 359.813 3.253 20 5 FGBDMO CC(C)N(C)C(=O)C1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000746657853 722612525 /nfs/dbraw/zinc/61/25/25/722612525.db2.gz KPRRDSPHDGDEFS-UHFFFAOYSA-N 1 1 353.850 3.327 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCS[C@H]4CCCC[C@@H]43)n2)c1 ZINC000753104987 722885277 /nfs/dbraw/zinc/88/52/77/722885277.db2.gz JWUPCNCQNCIIIW-HOTGVXAUSA-N 1 1 359.455 3.171 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CCS[C@H]4CCCC[C@@H]43)n2)c1 ZINC000753104987 722885281 /nfs/dbraw/zinc/88/52/81/722885281.db2.gz JWUPCNCQNCIIIW-HOTGVXAUSA-N 1 1 359.455 3.171 20 5 FGBDMO C[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)Cc1ccc(F)cc1 ZINC000764277959 723403749 /nfs/dbraw/zinc/40/37/49/723403749.db2.gz DTMIRUUNESXBNN-UHFFFAOYSA-N 1 1 365.792 3.249 20 5 FGBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC[N@@H+]1C ZINC000764401676 723410846 /nfs/dbraw/zinc/41/08/46/723410846.db2.gz IUSWDSVMJVBEIU-ZDUSSCGKSA-N 1 1 363.483 3.406 20 5 FGBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC[N@H+]1C ZINC000764401676 723410848 /nfs/dbraw/zinc/41/08/48/723410848.db2.gz IUSWDSVMJVBEIU-ZDUSSCGKSA-N 1 1 363.483 3.406 20 5 FGBDMO O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000765661821 723531074 /nfs/dbraw/zinc/53/10/74/723531074.db2.gz JJNCAGAUFSDCMT-ZDUSSCGKSA-N 1 1 352.822 3.387 20 5 FGBDMO COc1cc(COC(=O)[C@@H](C)[NH+]2CCCCCC2)c([N+](=O)[O-])cc1F ZINC000766205151 723561157 /nfs/dbraw/zinc/56/11/57/723561157.db2.gz AYSFTCZGENFBLD-GFCCVEGCSA-N 1 1 354.378 3.050 20 5 FGBDMO Cn1cc([C@@H](O)C[C@@H]2CCC[N@H+]2Cc2cc(Cl)ccc2[N+](=O)[O-])cn1 ZINC000766962036 723601674 /nfs/dbraw/zinc/60/16/74/723601674.db2.gz 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ZINC000052211687 494011843 /nfs/dbraw/zinc/01/18/43/494011843.db2.gz OVGMROSGTAKTPC-UHFFFAOYSA-N 1 1 358.417 3.093 20 5 FGBDMO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000007266231 494011759 /nfs/dbraw/zinc/01/17/59/494011759.db2.gz SCCTVUPFWSIIHX-CYBMUJFWSA-N 1 1 373.409 3.071 20 5 FGBDMO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000007266231 494011765 /nfs/dbraw/zinc/01/17/65/494011765.db2.gz SCCTVUPFWSIIHX-CYBMUJFWSA-N 1 1 373.409 3.071 20 5 FGBDMO CCCC[N@@H+](C)CC1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000052486159 494030051 /nfs/dbraw/zinc/03/00/51/494030051.db2.gz KFVBLQYJBYPPBC-UHFFFAOYSA-N 1 1 351.476 3.252 20 5 FGBDMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000008532314 494096018 /nfs/dbraw/zinc/09/60/18/494096018.db2.gz LUCPIXUAZBYFAU-LBPRGKRZSA-N 1 1 361.373 3.202 20 5 FGBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000008532314 494096022 /nfs/dbraw/zinc/09/60/22/494096022.db2.gz LUCPIXUAZBYFAU-LBPRGKRZSA-N 1 1 361.373 3.202 20 5 FGBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000087026788 494163525 /nfs/dbraw/zinc/16/35/25/494163525.db2.gz RSRLRTVDNCBHAS-UHFFFAOYSA-N 1 1 367.449 3.262 20 5 FGBDMO Cc1ccc(N2CCC(NC(=O)CCc3cccc([N+](=O)[O-])c3)CC2)[nH+]c1 ZINC000087323597 494194164 /nfs/dbraw/zinc/19/41/64/494194164.db2.gz CNBQZAIQSZSJER-UHFFFAOYSA-N 1 1 368.437 3.016 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H](CCO)c1ccccc1 ZINC000072772787 494248416 /nfs/dbraw/zinc/24/84/16/494248416.db2.gz KVANEVDCQTWVHU-LJQANCHMSA-N 1 1 371.437 3.287 20 5 FGBDMO CCSCC[C@H](C)[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000072900909 494279585 /nfs/dbraw/zinc/27/95/85/494279585.db2.gz MMCUNQZJFOTOFX-ZDUSSCGKSA-N 1 1 367.471 3.356 20 5 FGBDMO COc1ccc(OC)c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000015509315 494356507 /nfs/dbraw/zinc/35/65/07/494356507.db2.gz YUTBHGIYILLRQJ-CHWSQXEVSA-N 1 1 373.409 3.290 20 5 FGBDMO CCOc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000016562563 494394514 /nfs/dbraw/zinc/39/45/14/494394514.db2.gz VPPBNFAKGYKGDZ-AWEZNQCLSA-N 1 1 357.410 3.453 20 5 FGBDMO CCOc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000016562563 494394518 /nfs/dbraw/zinc/39/45/18/494394518.db2.gz VPPBNFAKGYKGDZ-AWEZNQCLSA-N 1 1 357.410 3.453 20 5 FGBDMO O=C(C[N@H+]1CCC[C@@H]1C1CCOCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000577406216 505721374 /nfs/dbraw/zinc/72/13/74/505721374.db2.gz XXLVISJPABPICL-MRXNPFEDSA-N 1 1 367.833 3.078 20 5 FGBDMO Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000018110225 494424963 /nfs/dbraw/zinc/42/49/63/494424963.db2.gz XOQIWCHVFSBONF-UHFFFAOYSA-N 1 1 353.422 3.170 20 5 FGBDMO O=C(C[N@H+]1CCC[C@H]1[C@@H]1CCCOC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000571400807 505725139 /nfs/dbraw/zinc/72/51/39/505725139.db2.gz YXZIHQCPZMQTHY-DOMZBBRYSA-N 1 1 367.833 3.078 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000046751171 494561355 /nfs/dbraw/zinc/56/13/55/494561355.db2.gz ZPZQVYYKKBGWKP-INIZCTEOSA-N 1 1 362.474 3.391 20 5 FGBDMO CCOc1ccc(C[NH+]2CCN(c3cc(C)c([N+](=O)[O-])cn3)CC2)cc1 ZINC000074727621 494582941 /nfs/dbraw/zinc/58/29/41/494582941.db2.gz YYGSEILWEWGGRU-UHFFFAOYSA-N 1 1 356.426 3.019 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1 ZINC000046934796 494589199 /nfs/dbraw/zinc/58/91/99/494589199.db2.gz MFTCUEHLLXYMCW-CQSZACIVSA-N 1 1 356.426 3.227 20 5 FGBDMO Cc1nc(C[NH+]2CCC(CNc3cc(C)c([N+](=O)[O-])cn3)CC2)cs1 ZINC000074750390 494590557 /nfs/dbraw/zinc/59/05/57/494590557.db2.gz UZLZUCAYYBKQFT-UHFFFAOYSA-N 1 1 361.471 3.387 20 5 FGBDMO CCOc1ccc(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000046991292 494608069 /nfs/dbraw/zinc/60/80/69/494608069.db2.gz BRKHGMTVXIPNGG-OAHLLOKOSA-N 1 1 363.458 3.235 20 5 FGBDMO Cc1c(CN2CC[NH+](CCOc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000108099480 494647358 /nfs/dbraw/zinc/64/73/58/494647358.db2.gz LZGYAVVBDSLMJV-UHFFFAOYSA-N 1 1 355.438 3.100 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000047213828 494655481 /nfs/dbraw/zinc/65/54/81/494655481.db2.gz ODWRRCPIXJOMKS-OAHLLOKOSA-N 1 1 365.499 3.458 20 5 FGBDMO CCC[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccccc1 ZINC000024820533 494667009 /nfs/dbraw/zinc/66/70/09/494667009.db2.gz NQZCPHKYDUTMGT-UHFFFAOYSA-N 1 1 371.393 3.174 20 5 FGBDMO CCCO[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000108392605 494696237 /nfs/dbraw/zinc/69/62/37/494696237.db2.gz FXQLKBLDPZCBPQ-MRXNPFEDSA-N 1 1 360.414 3.426 20 5 FGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000025448296 494742662 /nfs/dbraw/zinc/74/26/62/494742662.db2.gz WCXAHNXTUQYULX-QGZVFWFLSA-N 1 1 355.438 3.352 20 5 FGBDMO Cc1ccccc1[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000126456997 494757724 /nfs/dbraw/zinc/75/77/24/494757724.db2.gz QVZKVOZQUNGLMK-LJQANCHMSA-N 1 1 369.421 3.305 20 5 FGBDMO Cc1ccccc1[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000126456997 494757728 /nfs/dbraw/zinc/75/77/28/494757728.db2.gz QVZKVOZQUNGLMK-LJQANCHMSA-N 1 1 369.421 3.305 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])o3)c2)C[C@H](C)O1 ZINC000121464260 494768656 /nfs/dbraw/zinc/76/86/56/494768656.db2.gz HLWURFVOQMLCKZ-BETUJISGSA-N 1 1 359.382 3.049 20 5 FGBDMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])o3)c2)C[C@H](C)O1 ZINC000121464260 494768661 /nfs/dbraw/zinc/76/86/61/494768661.db2.gz HLWURFVOQMLCKZ-BETUJISGSA-N 1 1 359.382 3.049 20 5 FGBDMO O=C1C[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CN1 ZINC000092105191 494792519 /nfs/dbraw/zinc/79/25/19/494792519.db2.gz XGYNXGGIJNFJNU-RHSMWYFYSA-N 1 1 369.421 3.345 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000121623717 494823128 /nfs/dbraw/zinc/82/31/28/494823128.db2.gz VVVVJHQPWJMUJP-ZDUSSCGKSA-N 1 1 359.451 3.141 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000121623717 494823133 /nfs/dbraw/zinc/82/31/33/494823133.db2.gz VVVVJHQPWJMUJP-ZDUSSCGKSA-N 1 1 359.451 3.141 20 5 FGBDMO O=C1[C@H]([N@@H+]2CCC[C@H](c3nccs3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000109131592 494836338 /nfs/dbraw/zinc/83/63/38/494836338.db2.gz CHZFNEWJFUYMMI-XJKSGUPXSA-N 1 1 372.450 3.036 20 5 FGBDMO O=C1[C@H]([N@H+]2CCC[C@H](c3nccs3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000109131592 494836342 /nfs/dbraw/zinc/83/63/42/494836342.db2.gz CHZFNEWJFUYMMI-XJKSGUPXSA-N 1 1 372.450 3.036 20 5 FGBDMO CC[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1nc(C)cs1 ZINC000109147109 494838773 /nfs/dbraw/zinc/83/87/73/494838773.db2.gz PQRBKKVNIONWDH-GJZGRUSLSA-N 1 1 360.439 3.206 20 5 FGBDMO COC(=O)[C@@H](C)Oc1ccc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000093443818 494892685 /nfs/dbraw/zinc/89/26/85/494892685.db2.gz QOSAYUVIXKJJMS-CQSZACIVSA-N 1 1 370.405 3.093 20 5 FGBDMO COC(=O)[C@@H](C)Oc1ccc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000093443818 494892687 /nfs/dbraw/zinc/89/26/87/494892687.db2.gz QOSAYUVIXKJJMS-CQSZACIVSA-N 1 1 370.405 3.093 20 5 FGBDMO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000093610693 494904082 /nfs/dbraw/zinc/90/40/82/494904082.db2.gz GEGCCUHIBKVDEO-CQSZACIVSA-N 1 1 352.456 3.199 20 5 FGBDMO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000093610693 494904085 /nfs/dbraw/zinc/90/40/85/494904085.db2.gz GEGCCUHIBKVDEO-CQSZACIVSA-N 1 1 352.456 3.199 20 5 FGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000122836695 495038261 /nfs/dbraw/zinc/03/82/61/495038261.db2.gz ISCUVVIPXUHSIJ-GUTXKFCHSA-N 1 1 351.472 3.017 20 5 FGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000122836444 495038589 /nfs/dbraw/zinc/03/85/89/495038589.db2.gz ISCUVVIPXUHSIJ-NFAWXSAZSA-N 1 1 351.472 3.017 20 5 FGBDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000111428503 495073486 /nfs/dbraw/zinc/07/34/86/495073486.db2.gz AUSUIGALAGEOSB-OAHLLOKOSA-N 1 1 354.410 3.333 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000111428503 495073489 /nfs/dbraw/zinc/07/34/89/495073489.db2.gz AUSUIGALAGEOSB-OAHLLOKOSA-N 1 1 354.410 3.333 20 5 FGBDMO C[C@@H](NC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000111474013 495080025 /nfs/dbraw/zinc/08/00/25/495080025.db2.gz LGUVFKMCFPALSR-HZPDHXFCSA-N 1 1 370.453 3.476 20 5 FGBDMO CC(C)[N@@H+](C)CCNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000101955921 495110450 /nfs/dbraw/zinc/11/04/50/495110450.db2.gz HPCAZFUKFLPFBW-UHFFFAOYSA-N 1 1 370.453 3.277 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000134209518 495121469 /nfs/dbraw/zinc/12/14/69/495121469.db2.gz CECCUYYNXJLCNC-LIRRHRJNSA-N 1 1 369.421 3.166 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000134209518 495121472 /nfs/dbraw/zinc/12/14/72/495121472.db2.gz CECCUYYNXJLCNC-LIRRHRJNSA-N 1 1 369.421 3.166 20 5 FGBDMO CCS[C@H]1CCCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000112088604 495142420 /nfs/dbraw/zinc/14/24/20/495142420.db2.gz GHFCBHFLAJAROP-INIZCTEOSA-N 1 1 363.483 3.092 20 5 FGBDMO O=[N+]([O-])c1ccc(CSC[C@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000128864341 495161438 /nfs/dbraw/zinc/16/14/38/495161438.db2.gz AQMJACLIFBVUCL-LJQANCHMSA-N 1 1 358.463 3.247 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000119420539 495163178 /nfs/dbraw/zinc/16/31/78/495163178.db2.gz MLDNCTBEXNTLEW-GFCCVEGCSA-N 1 1 365.393 3.283 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCCC[C@H](SC)C1 ZINC000134612017 495175689 /nfs/dbraw/zinc/17/56/89/495175689.db2.gz HRHNSLDGUIEGII-JSGCOSHPSA-N 1 1 367.471 3.148 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCCC[C@H](SC)C1 ZINC000134612017 495175692 /nfs/dbraw/zinc/17/56/92/495175692.db2.gz HRHNSLDGUIEGII-JSGCOSHPSA-N 1 1 367.471 3.148 20 5 FGBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000134610642 495175806 /nfs/dbraw/zinc/17/58/06/495175806.db2.gz JXRLSBMGUPCJQL-CYBMUJFWSA-N 1 1 353.850 3.490 20 5 FGBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000119515777 495181146 /nfs/dbraw/zinc/18/11/46/495181146.db2.gz ZOELKOBVYDJAEG-DOTOQJQBSA-N 1 1 359.470 3.449 20 5 FGBDMO C[C@H]1CCC[N@H+]1C1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000134673021 495184784 /nfs/dbraw/zinc/18/47/84/495184784.db2.gz XGBAJNGXJODHEF-AWEZNQCLSA-N 1 1 371.441 3.094 20 5 FGBDMO C[N@@H+]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)c2ccccc2C1 ZINC000103447196 495234111 /nfs/dbraw/zinc/23/41/11/495234111.db2.gz IFNABWRLMXKGGC-UHFFFAOYSA-N 1 1 368.437 3.266 20 5 FGBDMO C[N@H+]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)c2ccccc2C1 ZINC000103447196 495234114 /nfs/dbraw/zinc/23/41/14/495234114.db2.gz IFNABWRLMXKGGC-UHFFFAOYSA-N 1 1 368.437 3.266 20 5 FGBDMO CC(C)CO[C@H]1CC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000120082289 495303401 /nfs/dbraw/zinc/30/34/01/495303401.db2.gz WQCQPLYIUATEJR-BBRMVZONSA-N 1 1 360.414 3.453 20 5 FGBDMO CC(C)CO[C@H]1CC[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000120082289 495303402 /nfs/dbraw/zinc/30/34/02/495303402.db2.gz WQCQPLYIUATEJR-BBRMVZONSA-N 1 1 360.414 3.453 20 5 FGBDMO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000124857245 495354841 /nfs/dbraw/zinc/35/48/41/495354841.db2.gz NEARKADAQGFEJB-HNNXBMFYSA-N 1 1 354.410 3.333 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000124857245 495354844 /nfs/dbraw/zinc/35/48/44/495354844.db2.gz NEARKADAQGFEJB-HNNXBMFYSA-N 1 1 354.410 3.333 20 5 FGBDMO CCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000125200738 495404793 /nfs/dbraw/zinc/40/47/93/495404793.db2.gz FBEQWLCEASAQLO-KRWDZBQOSA-N 1 1 369.421 3.037 20 5 FGBDMO C[C@@H](O)C[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000130670456 495427469 /nfs/dbraw/zinc/42/74/69/495427469.db2.gz CAIVZPPTMIXYJC-SNVBAGLBSA-N 1 1 369.215 3.430 20 5 FGBDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000130718480 495435019 /nfs/dbraw/zinc/43/50/19/495435019.db2.gz MQDCEBQKHJCSAY-KRWDZBQOSA-N 1 1 371.441 3.409 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)CCC1CCOCC1 ZINC000120691174 495436398 /nfs/dbraw/zinc/43/63/98/495436398.db2.gz IISDDRGIWPRDOK-LBPRGKRZSA-N 1 1 369.849 3.324 20 5 FGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccccc1N1CCOCC1 ZINC000574486501 505783266 /nfs/dbraw/zinc/78/32/66/505783266.db2.gz HQHRLKIRZZTFLT-UHFFFAOYSA-N 1 1 355.438 3.106 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@H]3CN3CCOCC3)o2)cc1 ZINC000125631457 495474169 /nfs/dbraw/zinc/47/41/69/495474169.db2.gz HXBSQNHOASNITN-SFHVURJKSA-N 1 1 371.437 3.151 20 5 FGBDMO COCc1ccc([C@@H]2CCC[N@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000131081952 495489764 /nfs/dbraw/zinc/48/97/64/495489764.db2.gz SMRARXJHQJMBAT-KRWDZBQOSA-N 1 1 373.409 3.500 20 5 FGBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)COc1ccc(F)cc1 ZINC000140796270 495499484 /nfs/dbraw/zinc/49/94/84/495499484.db2.gz ZEYGBAODQXSOQY-SFHVURJKSA-N 1 1 362.401 3.384 20 5 FGBDMO C[C@@H](C(=O)NCCC[N@@H+](C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000182362927 495533607 /nfs/dbraw/zinc/53/36/07/495533607.db2.gz YOJUVTXQOVDBSC-OAHLLOKOSA-N 1 1 373.428 3.476 20 5 FGBDMO Cc1cc(C)n2c(C[N@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)cnc2n1 ZINC000154286650 495569507 /nfs/dbraw/zinc/56/95/07/495569507.db2.gz GJYTVBPJAKIMSX-UHFFFAOYSA-N 1 1 351.410 3.419 20 5 FGBDMO Cc1cc(C)n2c(C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)cnc2n1 ZINC000154286650 495569511 /nfs/dbraw/zinc/56/95/11/495569511.db2.gz GJYTVBPJAKIMSX-UHFFFAOYSA-N 1 1 351.410 3.419 20 5 FGBDMO C[C@@H](CCNC(=O)Cc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000173598282 495605552 /nfs/dbraw/zinc/60/55/52/495605552.db2.gz UXRRDHIVIAXXHX-INIZCTEOSA-N 1 1 355.438 3.164 20 5 FGBDMO CC[N@H+](CCc1nccs1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000159156881 495671675 /nfs/dbraw/zinc/67/16/75/495671675.db2.gz HEQTUEKNDSCPSI-UHFFFAOYSA-N 1 1 359.411 3.166 20 5 FGBDMO CC[N@@H+](CCc1nccs1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000159156881 495671681 /nfs/dbraw/zinc/67/16/81/495671681.db2.gz HEQTUEKNDSCPSI-UHFFFAOYSA-N 1 1 359.411 3.166 20 5 FGBDMO CC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CCc1nccs1 ZINC000159193897 495682108 /nfs/dbraw/zinc/68/21/08/495682108.db2.gz DZKNKGKHNFWKCT-UHFFFAOYSA-N 1 1 362.455 3.253 20 5 FGBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000179715051 495702374 /nfs/dbraw/zinc/70/23/74/495702374.db2.gz LTSYTJUMIBSGQO-CYBMUJFWSA-N 1 1 361.829 3.499 20 5 FGBDMO COc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)cc1O ZINC000171134407 495737180 /nfs/dbraw/zinc/73/71/80/495737180.db2.gz UVJXLDWMNMAYTQ-UHFFFAOYSA-N 1 1 354.309 3.200 20 5 FGBDMO CCCC[N@@H+]1CCCC[C@@H]1CNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000577841311 505802054 /nfs/dbraw/zinc/80/20/54/505802054.db2.gz HZHHELKWIKOGOB-MRXNPFEDSA-N 1 1 362.474 3.168 20 5 FGBDMO CCCC[N@H+]1CCCC[C@@H]1CNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000577841311 505802057 /nfs/dbraw/zinc/80/20/57/505802057.db2.gz HZHHELKWIKOGOB-MRXNPFEDSA-N 1 1 362.474 3.168 20 5 FGBDMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000173965654 495767564 /nfs/dbraw/zinc/76/75/64/495767564.db2.gz NVDQZXKDJNJOED-AWEZNQCLSA-N 1 1 373.375 3.218 20 5 FGBDMO C[C@H]1C[C@H]1c1ccc(C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C2CC2)o1 ZINC000159695080 495789314 /nfs/dbraw/zinc/78/93/14/495789314.db2.gz VJSWRGNZTMAYAZ-SUMWQHHRSA-N 1 1 357.410 3.138 20 5 FGBDMO C[C@H]1C[C@H]1c1ccc(C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C2CC2)o1 ZINC000159695080 495789319 /nfs/dbraw/zinc/78/93/19/495789319.db2.gz VJSWRGNZTMAYAZ-SUMWQHHRSA-N 1 1 357.410 3.138 20 5 FGBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000183004656 495795606 /nfs/dbraw/zinc/79/56/06/495795606.db2.gz QDUBYNAWLYGRIV-GFCCVEGCSA-N 1 1 371.890 3.141 20 5 FGBDMO CC(C)c1[nH+]ccn1CCC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000186016506 495822887 /nfs/dbraw/zinc/82/28/87/495822887.db2.gz BQKDZZJIFOZRFN-UHFFFAOYSA-N 1 1 350.806 3.275 20 5 FGBDMO CC(C)Oc1nc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000577866120 505808541 /nfs/dbraw/zinc/80/85/41/505808541.db2.gz YPHKOVJLKUYRHJ-GOEBONIOSA-N 1 1 360.458 3.230 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000183244558 495895278 /nfs/dbraw/zinc/89/52/78/495895278.db2.gz QSJOOTDGCVQDGU-INIZCTEOSA-N 1 1 351.410 3.326 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000186417004 495990932 /nfs/dbraw/zinc/99/09/32/495990932.db2.gz IIHGGUKZWASIRK-LJQANCHMSA-N 1 1 368.437 3.016 20 5 FGBDMO CCCCc1nnc(NC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000180441307 495997132 /nfs/dbraw/zinc/99/71/32/495997132.db2.gz VOPBQXSVWFLJEV-LLVKDONJSA-N 1 1 363.443 3.078 20 5 FGBDMO CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000155617749 496014366 /nfs/dbraw/zinc/01/43/66/496014366.db2.gz SLSYRFXNFVIEJU-OAHLLOKOSA-N 1 1 357.410 3.203 20 5 FGBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000171776289 496032709 /nfs/dbraw/zinc/03/27/09/496032709.db2.gz SMXIFUUXEGYTIC-SFHVURJKSA-N 1 1 362.474 3.389 20 5 FGBDMO Cc1c(CC(=O)N2C[C@@H]3CCC[N@H+]3Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000155735450 496050941 /nfs/dbraw/zinc/05/09/41/496050941.db2.gz UQPORCRSXKNWDP-SFHVURJKSA-N 1 1 365.433 3.457 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cncc(Br)c1 ZINC000183699686 496085210 /nfs/dbraw/zinc/08/52/10/496085210.db2.gz WVFLTKBZIRWWQV-UHFFFAOYSA-N 1 1 352.188 3.051 20 5 FGBDMO C[C@H]1C[NH+](CCC2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)C[C@H](C)O1 ZINC000177501386 496087795 /nfs/dbraw/zinc/08/77/95/496087795.db2.gz RCHMQACUGRANDK-IRXDYDNUSA-N 1 1 361.486 3.306 20 5 FGBDMO CC[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1c(C)noc1C ZINC000155881334 496095958 /nfs/dbraw/zinc/09/59/58/496095958.db2.gz ZLLAJEBXCSQCQD-HZPDHXFCSA-N 1 1 358.398 3.046 20 5 FGBDMO C[C@H](NCc1ccccc1C[NH+]1CCC(O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000161144335 496113685 /nfs/dbraw/zinc/11/36/85/496113685.db2.gz XFEWAFSYPCMFDK-INIZCTEOSA-N 1 1 369.465 3.402 20 5 FGBDMO Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000174931447 496169329 /nfs/dbraw/zinc/16/93/29/496169329.db2.gz ARJFBYLZTVPMGO-SFHVURJKSA-N 1 1 367.449 3.497 20 5 FGBDMO C[C@@H](C(=O)N1CCCc2ccccc21)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000569022441 505832041 /nfs/dbraw/zinc/83/20/41/505832041.db2.gz SLXCCKJYPGGCFW-INIZCTEOSA-N 1 1 367.449 3.437 20 5 FGBDMO C[C@@H](C(=O)N1CCCc2ccccc21)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000569022441 505832047 /nfs/dbraw/zinc/83/20/47/505832047.db2.gz SLXCCKJYPGGCFW-INIZCTEOSA-N 1 1 367.449 3.437 20 5 FGBDMO CC[C@@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000184113931 496243714 /nfs/dbraw/zinc/24/37/14/496243714.db2.gz CNHNSMXAUFLPIX-MRXNPFEDSA-N 1 1 369.425 3.118 20 5 FGBDMO C[C@@H](NC1CC[NH+](CCc2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000152880844 496284617 /nfs/dbraw/zinc/28/46/17/496284617.db2.gz WDMNCHOSRZYXCJ-MRXNPFEDSA-N 1 1 354.454 3.348 20 5 FGBDMO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172415192 496288564 /nfs/dbraw/zinc/28/85/64/496288564.db2.gz DWLHTGOGHSSKFE-UHFFFAOYSA-N 1 1 372.469 3.260 20 5 FGBDMO C[C@H]1C[C@H](N(C)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000175202570 496289337 /nfs/dbraw/zinc/28/93/37/496289337.db2.gz ZGHFQOCKTBTNHB-MAUKXSAKSA-N 1 1 362.474 3.042 20 5 FGBDMO Cc1cccc(N2CCC(NC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)[nH+]1 ZINC000162691893 496397276 /nfs/dbraw/zinc/39/72/76/496397276.db2.gz JDCJYCSGNXVABZ-UHFFFAOYSA-N 1 1 369.425 3.397 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000162972296 496443058 /nfs/dbraw/zinc/44/30/58/496443058.db2.gz VZMAIQKSYZXXHV-UHFFFAOYSA-N 1 1 354.410 3.083 20 5 FGBDMO Cc1ccc(N2CCC(NC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)[nH+]c1 ZINC000163211800 496481628 /nfs/dbraw/zinc/48/16/28/496481628.db2.gz QLIAXOLVDPHYPP-UHFFFAOYSA-N 1 1 369.425 3.397 20 5 FGBDMO C[C@H](NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181648335 496486037 /nfs/dbraw/zinc/48/60/37/496486037.db2.gz BLGASLQXCMDNGE-RYUDHWBXSA-N 1 1 367.396 3.256 20 5 FGBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000181791048 496546328 /nfs/dbraw/zinc/54/63/28/496546328.db2.gz RMSCMZKKFRHLBM-NSHDSACASA-N 1 1 374.363 3.419 20 5 FGBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000184838727 496551251 /nfs/dbraw/zinc/55/12/51/496551251.db2.gz HGHREKGBIQAESD-KRWDZBQOSA-N 1 1 370.453 3.485 20 5 FGBDMO C[C@H]1CC[C@](CO)([N@@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000188034242 496657083 /nfs/dbraw/zinc/65/70/83/496657083.db2.gz XNGIGOMMQPEAFV-LIRRHRJNSA-N 1 1 359.426 3.275 20 5 FGBDMO CCCC[N@@H+](CCCO)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000182163856 496693023 /nfs/dbraw/zinc/69/30/23/496693023.db2.gz GYHWGUASNDDMJE-LBPRGKRZSA-N 1 1 357.838 3.060 20 5 FGBDMO Cc1cccc(C(=O)N2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000248156924 496965479 /nfs/dbraw/zinc/96/54/79/496965479.db2.gz MGCDRDXUNGUXOC-UHFFFAOYSA-N 1 1 353.422 3.251 20 5 FGBDMO Cc1cccc(C(=O)N2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000248156924 496965485 /nfs/dbraw/zinc/96/54/85/496965485.db2.gz MGCDRDXUNGUXOC-UHFFFAOYSA-N 1 1 353.422 3.251 20 5 FGBDMO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000269581545 496973740 /nfs/dbraw/zinc/97/37/40/496973740.db2.gz WLOWDWIBJFIRAE-PBHICJAKSA-N 1 1 368.437 3.165 20 5 FGBDMO C[NH+](C)[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000273986714 496981868 /nfs/dbraw/zinc/98/18/68/496981868.db2.gz ZPGUGCOSEARZQJ-HNNXBMFYSA-N 1 1 363.389 3.024 20 5 FGBDMO Cc1ccccc1[C@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248372483 496986367 /nfs/dbraw/zinc/98/63/67/496986367.db2.gz AALXFVOBLYKVSK-SJLPKXTDSA-N 1 1 356.422 3.480 20 5 FGBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]3CCCC[C@H]32)cc1 ZINC000248373368 496986460 /nfs/dbraw/zinc/98/64/60/496986460.db2.gz IJJBTDGKQJSPNU-WMLDXEAASA-N 1 1 352.456 3.023 20 5 FGBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]3CCCC[C@H]32)cc1 ZINC000248373368 496986461 /nfs/dbraw/zinc/98/64/61/496986461.db2.gz IJJBTDGKQJSPNU-WMLDXEAASA-N 1 1 352.456 3.023 20 5 FGBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000248410558 497001209 /nfs/dbraw/zinc/00/12/09/497001209.db2.gz YDKBCISGVIBOME-LSDHHAIUSA-N 1 1 361.446 3.108 20 5 FGBDMO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)CC1(c2ccccc2)CC1 ZINC000189310409 497077326 /nfs/dbraw/zinc/07/73/26/497077326.db2.gz IWEMJJANWOYBLI-UHFFFAOYSA-N 1 1 365.433 3.148 20 5 FGBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)CC1(c2ccccc2)CC1 ZINC000189310409 497077332 /nfs/dbraw/zinc/07/73/32/497077332.db2.gz IWEMJJANWOYBLI-UHFFFAOYSA-N 1 1 365.433 3.148 20 5 FGBDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 ZINC000278500563 497135509 /nfs/dbraw/zinc/13/55/09/497135509.db2.gz NTQWBFIDJLQOOE-SSINHNECSA-N 1 1 363.395 3.091 20 5 FGBDMO Cn1ccnc1N1CC[NH+](Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000270478807 497136857 /nfs/dbraw/zinc/13/68/57/497136857.db2.gz DMDYZROMLIJZPU-UHFFFAOYSA-N 1 1 374.444 3.002 20 5 FGBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000572092540 505886938 /nfs/dbraw/zinc/88/69/38/505886938.db2.gz HAHATRZKIYWFCU-XJKSGUPXSA-N 1 1 363.483 3.119 20 5 FGBDMO C[C@@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000265724925 497169732 /nfs/dbraw/zinc/16/97/32/497169732.db2.gz NXYVWWYSCGEEIE-GDBMZVCRSA-N 1 1 356.426 3.048 20 5 FGBDMO CSc1cccc(C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000249138607 497172673 /nfs/dbraw/zinc/17/26/73/497172673.db2.gz PCKDFSSVFYFZFQ-OLZOCXBDSA-N 1 1 351.472 3.167 20 5 FGBDMO CC[C@](C)(O)C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000189743128 497229903 /nfs/dbraw/zinc/22/99/03/497229903.db2.gz DPEYJUYLBQWEJN-FQEVSTJZSA-N 1 1 371.437 3.197 20 5 FGBDMO CC[C@](C)(O)C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000189743128 497229907 /nfs/dbraw/zinc/22/99/07/497229907.db2.gz DPEYJUYLBQWEJN-FQEVSTJZSA-N 1 1 371.437 3.197 20 5 FGBDMO O=[N+]([O-])c1ccc2c(c1)[C@@H](NCC1([NH+]3CCCC3)CCOCC1)CCC2 ZINC000278862895 497245696 /nfs/dbraw/zinc/24/56/96/497245696.db2.gz WKDGKZAINULTQL-IBGZPJMESA-N 1 1 359.470 3.207 20 5 FGBDMO O=[N+]([O-])c1ccc(CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000192933281 497250639 /nfs/dbraw/zinc/25/06/39/497250639.db2.gz HBTTVEBYBCQBPE-MRXNPFEDSA-N 1 1 370.409 3.115 20 5 FGBDMO C[C@H](NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000271711368 497425615 /nfs/dbraw/zinc/42/56/15/497425615.db2.gz VGPLQBWPCYPBAH-MPGHIAIKSA-N 1 1 372.469 3.314 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000245523842 497439410 /nfs/dbraw/zinc/43/94/10/497439410.db2.gz NGQQSLLSQUICMG-HUUCEWRRSA-N 1 1 355.442 3.382 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000245554264 497454668 /nfs/dbraw/zinc/45/46/68/497454668.db2.gz SAPYMUCOXJBBTP-HSMVNMDESA-N 1 1 369.849 3.058 20 5 FGBDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000279716829 497519197 /nfs/dbraw/zinc/51/91/97/497519197.db2.gz INEPOZGGXRAORS-ZBFHGGJFSA-N 1 1 359.426 3.418 20 5 FGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c(F)c1 ZINC000267336561 497527777 /nfs/dbraw/zinc/52/77/77/497527777.db2.gz BDDXUKRZRSCNFU-KRWDZBQOSA-N 1 1 352.406 3.284 20 5 FGBDMO C[C@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272274002 497583725 /nfs/dbraw/zinc/58/37/25/497583725.db2.gz LUOUAEQVXVJMKR-GOEBONIOSA-N 1 1 371.412 3.374 20 5 FGBDMO COCC[N@@H+]1CCC[C@@H]1CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000245971490 497587697 /nfs/dbraw/zinc/58/76/97/497587697.db2.gz OCWDQURQZFJXKL-NHCUHLMSSA-N 1 1 369.465 3.385 20 5 FGBDMO COCC[N@H+]1CCC[C@@H]1CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000245971490 497587702 /nfs/dbraw/zinc/58/77/02/497587702.db2.gz OCWDQURQZFJXKL-NHCUHLMSSA-N 1 1 369.465 3.385 20 5 FGBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CC[C@H]21 ZINC000246068981 497611213 /nfs/dbraw/zinc/61/12/13/497611213.db2.gz CPCQONNBPNESIQ-IAQYHMDHSA-N 1 1 371.359 3.170 20 5 FGBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000246092488 497619481 /nfs/dbraw/zinc/61/94/81/497619481.db2.gz JBRMZYYVCVGLEB-KBPBESRZSA-N 1 1 371.359 3.312 20 5 FGBDMO C[C@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000272579529 497668176 /nfs/dbraw/zinc/66/81/76/497668176.db2.gz XTTNGUWYRWKDOJ-MDZRGWNJSA-N 1 1 371.485 3.128 20 5 FGBDMO C[C@H]1OCC[C@]12C[N@H+](Cc1cc(=O)oc3ccc4ccccc4c13)CCO2 ZINC000280561364 497789816 /nfs/dbraw/zinc/78/98/16/497789816.db2.gz UYHOFNSZDCQRFA-QRQCRPRQSA-N 1 1 365.429 3.326 20 5 FGBDMO C[C@H]1OCC[C@]12C[N@@H+](Cc1cc(=O)oc3ccc4ccccc4c13)CCO2 ZINC000280561364 497789818 /nfs/dbraw/zinc/78/98/18/497789818.db2.gz UYHOFNSZDCQRFA-QRQCRPRQSA-N 1 1 365.429 3.326 20 5 FGBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H]2c2cccc3ccccc32)c1 ZINC000246807177 497812637 /nfs/dbraw/zinc/81/26/37/497812637.db2.gz WFBAWOSVKGFENT-XLIONFOSSA-N 1 1 366.421 3.143 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCN(C)[C@@H](c2nc(C3CC3)no2)C1 ZINC000284561786 497830192 /nfs/dbraw/zinc/83/01/92/497830192.db2.gz GAEXMTXCAUMFMD-SUMWQHHRSA-N 1 1 371.441 3.213 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCN(C)[C@@H](c2nc(C3CC3)no2)C1 ZINC000284561786 497830196 /nfs/dbraw/zinc/83/01/96/497830196.db2.gz GAEXMTXCAUMFMD-SUMWQHHRSA-N 1 1 371.441 3.213 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000364258619 497864676 /nfs/dbraw/zinc/86/46/76/497864676.db2.gz FCIGYDZYQARCQR-UHFFFAOYSA-N 1 1 350.369 3.061 20 5 FGBDMO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000284683735 497865494 /nfs/dbraw/zinc/86/54/94/497865494.db2.gz HELMSDVPRJDOLG-LBPRGKRZSA-N 1 1 366.414 3.378 20 5 FGBDMO Cc1ccnc([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000581259528 505946167 /nfs/dbraw/zinc/94/61/67/505946167.db2.gz MBVAKSJLHKZYER-HUUCEWRRSA-N 1 1 354.410 3.115 20 5 FGBDMO Cc1ccnc([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000581259528 505946170 /nfs/dbraw/zinc/94/61/70/505946170.db2.gz MBVAKSJLHKZYER-HUUCEWRRSA-N 1 1 354.410 3.115 20 5 FGBDMO O=C1Nc2ccccc2[C@]12CC[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC000364434396 497955843 /nfs/dbraw/zinc/95/58/43/497955843.db2.gz MQDCFFNVAABCRJ-GOSISDBHSA-N 1 1 357.797 3.344 20 5 FGBDMO CCOc1ccc(C[NH+]2CCN(c3ncc([N+](=O)[O-])cc3C)CC2)cc1 ZINC000301154264 497975557 /nfs/dbraw/zinc/97/55/57/497975557.db2.gz MGPLAFOGFROFLH-UHFFFAOYSA-N 1 1 356.426 3.019 20 5 FGBDMO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000364551561 498019777 /nfs/dbraw/zinc/01/97/77/498019777.db2.gz VQZWIXXQGGMLOU-GOSISDBHSA-N 1 1 367.449 3.166 20 5 FGBDMO C[C@@]12CCC[N@H+]1C[C@@H](c1noc(-c3cc4cc([N+](=O)[O-])ccc4o3)n1)OC2 ZINC000350352277 498086528 /nfs/dbraw/zinc/08/65/28/498086528.db2.gz KPFSNWIMHLZSBI-YJBOKZPZSA-N 1 1 370.365 3.317 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000289313700 498101367 /nfs/dbraw/zinc/10/13/67/498101367.db2.gz JLPOEXZHNOXONB-GDBMZVCRSA-N 1 1 354.410 3.196 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000289313700 498101369 /nfs/dbraw/zinc/10/13/69/498101369.db2.gz JLPOEXZHNOXONB-GDBMZVCRSA-N 1 1 354.410 3.196 20 5 FGBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)Nc3cccc([N+](=O)[O-])c3Cl)C2)C1 ZINC000296814070 498206754 /nfs/dbraw/zinc/20/67/54/498206754.db2.gz ROVUVLDHPSRWLN-MRXNPFEDSA-N 1 1 352.822 3.198 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000301733459 498243225 /nfs/dbraw/zinc/24/32/25/498243225.db2.gz UEDJWYRVZIFVOY-IEBWSBKVSA-N 1 1 355.438 3.198 20 5 FGBDMO C[C@H](CNc1c(Br)cncc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000301902180 498319177 /nfs/dbraw/zinc/31/91/77/498319177.db2.gz WDLQLAMYDRPGRS-GHMZBOCLSA-N 1 1 357.252 3.285 20 5 FGBDMO C[C@H](CNc1c(Br)cncc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000301902180 498319184 /nfs/dbraw/zinc/31/91/84/498319184.db2.gz WDLQLAMYDRPGRS-GHMZBOCLSA-N 1 1 357.252 3.285 20 5 FGBDMO C[C@H](O)c1ncc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)s1 ZINC000289853162 498323544 /nfs/dbraw/zinc/32/35/44/498323544.db2.gz VMARMCASPYYMJQ-QMMMGPOBSA-N 1 1 361.345 3.413 20 5 FGBDMO Cc1cc([N+](=O)[O-])cnc1Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000301922810 498330185 /nfs/dbraw/zinc/33/01/85/498330185.db2.gz GVSQLWVLQIQVOA-UHFFFAOYSA-N 1 1 361.833 3.447 20 5 FGBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000286311737 498359236 /nfs/dbraw/zinc/35/92/36/498359236.db2.gz CWRBVFGVWBOANR-AYDVLDGXSA-N 1 1 369.421 3.148 20 5 FGBDMO C[C@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC[N@H+]1C ZINC000302182323 498431569 /nfs/dbraw/zinc/43/15/69/498431569.db2.gz RESAOVDZJBINPM-DOTOQJQBSA-N 1 1 370.453 3.488 20 5 FGBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)C1 ZINC000294088019 498584697 /nfs/dbraw/zinc/58/46/97/498584697.db2.gz KBTJENWVIHAOBD-INIZCTEOSA-N 1 1 371.359 3.172 20 5 FGBDMO Cc1cnn(-c2cc[nH+]cc2NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000569984714 506062715 /nfs/dbraw/zinc/06/27/15/506062715.db2.gz YQQVJFXLHGXHDO-ZDUSSCGKSA-N 1 1 351.366 3.226 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(F)c2F)[C@@H]1c1ccccc1 ZINC000363163008 498681070 /nfs/dbraw/zinc/68/10/70/498681070.db2.gz RCKSWSFBFJOBFD-WBVHZDCISA-N 1 1 361.348 3.048 20 5 FGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)Cc1cccc(Cl)c1)CCO2 ZINC000581853624 506073996 /nfs/dbraw/zinc/07/39/96/506073996.db2.gz NCNIMLDVMZNDAB-QGZVFWFLSA-N 1 1 362.813 3.046 20 5 FGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)Cc1cccc(Cl)c1)CCO2 ZINC000581853624 506073999 /nfs/dbraw/zinc/07/39/99/506073999.db2.gz NCNIMLDVMZNDAB-QGZVFWFLSA-N 1 1 362.813 3.046 20 5 FGBDMO Cc1ccc(C[C@@H](C)[N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000303787956 498714310 /nfs/dbraw/zinc/71/43/10/498714310.db2.gz ULKVKNGLWPBOBV-MRXNPFEDSA-N 1 1 367.449 3.355 20 5 FGBDMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000332612360 498742360 /nfs/dbraw/zinc/74/23/60/498742360.db2.gz QDCCQTDFDSQSLH-WCQYABFASA-N 1 1 352.822 3.339 20 5 FGBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000332651821 498754165 /nfs/dbraw/zinc/75/41/65/498754165.db2.gz UTOWKQHTWZASQD-KBPBESRZSA-N 1 1 351.834 3.255 20 5 FGBDMO Cc1ccnc(N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000312041894 498755526 /nfs/dbraw/zinc/75/55/26/498755526.db2.gz WRSUYWDPMSJULH-QZTJIDSGSA-N 1 1 352.438 3.257 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000287497503 498777575 /nfs/dbraw/zinc/77/75/75/498777575.db2.gz JAQNCFOQAPKJMR-UHFFFAOYSA-N 1 1 360.414 3.482 20 5 FGBDMO CO[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000294736231 498788900 /nfs/dbraw/zinc/78/89/00/498788900.db2.gz DQGABBNFIVQJFY-KRWDZBQOSA-N 1 1 358.442 3.242 20 5 FGBDMO Cc1c(Br)c(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ncc1[N+](=O)[O-] ZINC000322685101 498817950 /nfs/dbraw/zinc/81/79/50/498817950.db2.gz HVOUARWIYHZRGB-FGWVZKOKSA-N 1 1 355.236 3.098 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@H](SC)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000295017104 498882487 /nfs/dbraw/zinc/88/24/87/498882487.db2.gz KEGLDCRXIUHJGR-LLVKDONJSA-N 1 1 362.398 3.185 20 5 FGBDMO COC[C@]1(C)CC[N@@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000295030404 498885960 /nfs/dbraw/zinc/88/59/60/498885960.db2.gz DDHHXJRIYGLGGZ-QGZVFWFLSA-N 1 1 374.384 3.106 20 5 FGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000295135258 498920672 /nfs/dbraw/zinc/92/06/72/498920672.db2.gz LMMQDUVZOMEQBC-KXBFYZLASA-N 1 1 370.453 3.286 20 5 FGBDMO Cc1ccc(C2CC[NH+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)cn1 ZINC000363669320 498935690 /nfs/dbraw/zinc/93/56/90/498935690.db2.gz DHBSFQGFRKBIMC-UHFFFAOYSA-N 1 1 368.437 3.425 20 5 FGBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[N@H+]1C ZINC000291438682 498940721 /nfs/dbraw/zinc/94/07/21/498940721.db2.gz HUGDZMKRFYKDEU-KOLCDFICSA-N 1 1 360.241 3.456 20 5 FGBDMO COC(=O)c1cc([N+](=O)[O-])c(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Cl ZINC000363783974 498990759 /nfs/dbraw/zinc/99/07/59/498990759.db2.gz OHWVDONGQDPHPD-WDEREUQCSA-N 1 1 353.806 3.074 20 5 FGBDMO CCCn1ccnc1CCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000283871502 499003199 /nfs/dbraw/zinc/00/31/99/499003199.db2.gz AHPHOJIVEBLFDZ-UHFFFAOYSA-N 1 1 361.402 3.174 20 5 FGBDMO COc1ccc([C@H](CN(C)C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000284169821 499062153 /nfs/dbraw/zinc/06/21/53/499062153.db2.gz WXLBNFWQTOTZFO-KRWDZBQOSA-N 1 1 359.426 3.005 20 5 FGBDMO CN1CCC[C@@]2(CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3C(F)(F)F)C2)C1=O ZINC000372559328 499145891 /nfs/dbraw/zinc/14/58/91/499145891.db2.gz ZJPNBOLMNQRWQL-INIZCTEOSA-N 1 1 371.359 3.058 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@@]4(CCCCO4)C3)o2)cc1 ZINC000370092130 499178688 /nfs/dbraw/zinc/17/86/88/499178688.db2.gz LXTKMRXRSWESCE-SFHVURJKSA-N 1 1 358.398 3.180 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@@]4(CCCCO4)C3)o2)cc1 ZINC000370092130 499178692 /nfs/dbraw/zinc/17/86/92/499178692.db2.gz LXTKMRXRSWESCE-SFHVURJKSA-N 1 1 358.398 3.180 20 5 FGBDMO CCc1nccc([C@@H]2CCC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)n1 ZINC000370234801 499200253 /nfs/dbraw/zinc/20/02/53/499200253.db2.gz AKZLYVKCPMQTRG-CYBMUJFWSA-N 1 1 367.409 3.468 20 5 FGBDMO CCc1nccc([C@@H]2CCC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)n1 ZINC000370234801 499200254 /nfs/dbraw/zinc/20/02/54/499200254.db2.gz AKZLYVKCPMQTRG-CYBMUJFWSA-N 1 1 367.409 3.468 20 5 FGBDMO C[N@H+]1CC[C@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000370327961 499209873 /nfs/dbraw/zinc/20/98/73/499209873.db2.gz XPPVSQIWYFSSSB-BEFAXECRSA-N 1 1 373.478 3.398 20 5 FGBDMO C[N@H+]1CC[C@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H]1c1cccs1 ZINC000370327962 499209893 /nfs/dbraw/zinc/20/98/93/499209893.db2.gz XPPVSQIWYFSSSB-DNVCBOLYSA-N 1 1 373.478 3.398 20 5 FGBDMO O=C1C[C@H]([C@H]2CCCC[N@@H+]2Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CN1 ZINC000367541706 499210460 /nfs/dbraw/zinc/21/04/60/499210460.db2.gz IYZHOTPRBXVYGW-MAUKXSAKSA-N 1 1 369.421 3.345 20 5 FGBDMO O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CN1 ZINC000367541707 499210521 /nfs/dbraw/zinc/21/05/21/499210521.db2.gz IYZHOTPRBXVYGW-QAPCUYQASA-N 1 1 369.421 3.345 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC([C@@H]2CCCOC2)CC1 ZINC000368003018 499254132 /nfs/dbraw/zinc/25/41/32/499254132.db2.gz VCGVFARUQLFTLA-GDBMZVCRSA-N 1 1 361.442 3.060 20 5 FGBDMO COc1cc(C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)ccc1SC ZINC000369020675 499358004 /nfs/dbraw/zinc/35/80/04/499358004.db2.gz ZZDRMYRLNNBBDK-AWEZNQCLSA-N 1 1 362.455 3.359 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)ccc1SC ZINC000369020675 499358006 /nfs/dbraw/zinc/35/80/06/499358006.db2.gz ZZDRMYRLNNBBDK-AWEZNQCLSA-N 1 1 362.455 3.359 20 5 FGBDMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1c1cccc(Cl)c1 ZINC000369358944 499395108 /nfs/dbraw/zinc/39/51/08/499395108.db2.gz OETSSPCWJRSFAJ-LRDDRELGSA-N 1 1 363.801 3.264 20 5 FGBDMO C[C@@H](NC(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000372086685 499397515 /nfs/dbraw/zinc/39/75/15/499397515.db2.gz OGKFGXFZNSCDTA-HUUCEWRRSA-N 1 1 360.458 3.314 20 5 FGBDMO Cc1c[nH+]cn1C1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000372237821 499411781 /nfs/dbraw/zinc/41/17/81/499411781.db2.gz UKQFGNKMUHCHNQ-UHFFFAOYSA-N 1 1 369.425 3.151 20 5 FGBDMO C[N@H+]1CC[C@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@H]1c1cccs1 ZINC000369544221 499415259 /nfs/dbraw/zinc/41/52/59/499415259.db2.gz RWLIMZFTQOLZOI-PBHICJAKSA-N 1 1 374.466 3.149 20 5 FGBDMO C[N@H+]1CC[C@@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000369565134 499418530 /nfs/dbraw/zinc/41/85/30/499418530.db2.gz UGVXRSSTDNTANV-ZBEGNZNMSA-N 1 1 363.414 3.218 20 5 FGBDMO Cc1ncc(C[N@H+]2CC[C@H](Nc3nccc(C)c3[N+](=O)[O-])[C@H](C)C2)s1 ZINC000369592236 499423698 /nfs/dbraw/zinc/42/36/98/499423698.db2.gz QDYQOVSAUOUJBR-DOMZBBRYSA-N 1 1 361.471 3.386 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@@H]2[C@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1OC ZINC000369596602 499424475 /nfs/dbraw/zinc/42/44/75/499424475.db2.gz JQSVNNMYRKNXSN-BFYDXBDKSA-N 1 1 364.442 3.128 20 5 FGBDMO Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccccc3)n2)n1C ZINC000373168935 499454851 /nfs/dbraw/zinc/45/48/51/499454851.db2.gz DFBKSZBTVJKSAE-AWEZNQCLSA-N 1 1 368.397 3.024 20 5 FGBDMO Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3CCC[N@H+]3Cc3ccccc3)n2)n1C ZINC000373168935 499454852 /nfs/dbraw/zinc/45/48/52/499454852.db2.gz DFBKSZBTVJKSAE-AWEZNQCLSA-N 1 1 368.397 3.024 20 5 FGBDMO COCc1nccc([C@@H]2CCC[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)n1 ZINC000378350945 499505436 /nfs/dbraw/zinc/50/54/36/499505436.db2.gz QDOULKKWZZUAAB-BBOMDTFKSA-N 1 1 368.437 3.424 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2nc(CN3CCC[N@H+]4CCC[C@H]4C3)cs2)c1 ZINC000378353004 499505818 /nfs/dbraw/zinc/50/58/18/499505818.db2.gz YCYCRISVJSFRFZ-KRWDZBQOSA-N 1 1 358.467 3.388 20 5 FGBDMO Cc1cc(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000388882183 499551854 /nfs/dbraw/zinc/55/18/54/499551854.db2.gz DQJIZWZYWGYTTG-ZWKOTPCHSA-N 1 1 352.438 3.257 20 5 FGBDMO CNc1ccc(C(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000406067257 499571849 /nfs/dbraw/zinc/57/18/49/499571849.db2.gz MBDBHALMFAIPAB-HXUWFJFHSA-N 1 1 368.437 3.031 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000408411612 499587488 /nfs/dbraw/zinc/58/74/88/499587488.db2.gz JCXUVULFDULEGY-GXTWGEPZSA-N 1 1 351.834 3.255 20 5 FGBDMO O=[N+]([O-])c1ccc2c(c1N1CCC[C@@H](c3[nH+]cc4n3CCCC4)C1)CCN2 ZINC000409651227 499612247 /nfs/dbraw/zinc/61/22/47/499612247.db2.gz HOGBLFGMWSXKDR-CQSZACIVSA-N 1 1 367.453 3.480 20 5 FGBDMO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000410505168 499665422 /nfs/dbraw/zinc/66/54/22/499665422.db2.gz UBYXTVIQYPDKKZ-AWEZNQCLSA-N 1 1 359.348 3.026 20 5 FGBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000410505168 499665423 /nfs/dbraw/zinc/66/54/23/499665423.db2.gz UBYXTVIQYPDKKZ-AWEZNQCLSA-N 1 1 359.348 3.026 20 5 FGBDMO CCOc1cc(C[N@@H+]2CCC[C@@H](c3noc(CC)n3)C2)ccc1[N+](=O)[O-] ZINC000377285101 499676762 /nfs/dbraw/zinc/67/67/62/499676762.db2.gz DXGMTSDFMOWEPE-CQSZACIVSA-N 1 1 360.414 3.319 20 5 FGBDMO CCOc1cc(C[N@H+]2CCC[C@@H](c3noc(CC)n3)C2)ccc1[N+](=O)[O-] ZINC000377285101 499676764 /nfs/dbraw/zinc/67/67/64/499676764.db2.gz DXGMTSDFMOWEPE-CQSZACIVSA-N 1 1 360.414 3.319 20 5 FGBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000377545331 499702954 /nfs/dbraw/zinc/70/29/54/499702954.db2.gz BVAIVILXMROCFG-FUHWJXTLSA-N 1 1 360.458 3.142 20 5 FGBDMO Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H](C)C2)s1 ZINC000377793058 499734828 /nfs/dbraw/zinc/73/48/28/499734828.db2.gz QFNIMKFLSLAXDE-YVEFUNNKSA-N 1 1 374.466 3.000 20 5 FGBDMO COc1cc(C[N@H+]2CC3(CCOCC3)[C@H]2C(C)C)c([N+](=O)[O-])cc1OC ZINC000414517956 499802077 /nfs/dbraw/zinc/80/20/77/499802077.db2.gz ALQPOUFBLFPMTQ-GOSISDBHSA-N 1 1 364.442 3.249 20 5 FGBDMO C[C@@]12CCC[N@H+]1C[C@@H](c1noc(-c3cc(Cl)cc([N+](=O)[O-])c3)n1)OC2 ZINC000570436007 506167207 /nfs/dbraw/zinc/16/72/07/506167207.db2.gz WOVBOOHCANYDFI-BBRMVZONSA-N 1 1 364.789 3.224 20 5 FGBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)Cc2ccccc2O1 ZINC000429155860 500015173 /nfs/dbraw/zinc/01/51/73/500015173.db2.gz CUVUUOHIFDKSNP-CQSZACIVSA-N 1 1 355.394 3.207 20 5 FGBDMO CC[C@H]1C[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H](CC)O1 ZINC000421382815 500033285 /nfs/dbraw/zinc/03/32/85/500033285.db2.gz CIIQUUDPPMQJMI-ROUUACIJSA-N 1 1 358.442 3.385 20 5 FGBDMO Cc1ccccc1C[C@H](C)NC(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429252179 500035153 /nfs/dbraw/zinc/03/51/53/500035153.db2.gz GJQQQQCGCSYACS-INIZCTEOSA-N 1 1 369.465 3.475 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@H](c3nnc[nH]3)C2)s1 ZINC000425358775 500084662 /nfs/dbraw/zinc/08/46/62/500084662.db2.gz RMLXZCMKXYZQHD-LBPRGKRZSA-N 1 1 355.423 3.431 20 5 FGBDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425439693 500106853 /nfs/dbraw/zinc/10/68/53/500106853.db2.gz FNECPEONNCUPSX-UHIISALHSA-N 1 1 357.248 3.339 20 5 FGBDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425439693 500106855 /nfs/dbraw/zinc/10/68/55/500106855.db2.gz FNECPEONNCUPSX-UHIISALHSA-N 1 1 357.248 3.339 20 5 FGBDMO C[C@@H]1CN(Cc2ccc(Br)cc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000425491255 500122031 /nfs/dbraw/zinc/12/20/31/500122031.db2.gz ZPZUSDPCEVCMOK-GFCCVEGCSA-N 1 1 368.275 3.273 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000421710406 500125366 /nfs/dbraw/zinc/12/53/66/500125366.db2.gz KKZTWRATDONEKG-CQSZACIVSA-N 1 1 351.472 3.262 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC4(CCC4)[C@H]3C3CCOCC3)nc2c1 ZINC000425551133 500142874 /nfs/dbraw/zinc/14/28/74/500142874.db2.gz JHIOAJDTSZFFHB-GOSISDBHSA-N 1 1 356.426 3.252 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC4(CCC4)[C@H]3C3CCOCC3)nc2c1 ZINC000425551133 500142877 /nfs/dbraw/zinc/14/28/77/500142877.db2.gz JHIOAJDTSZFFHB-GOSISDBHSA-N 1 1 356.426 3.252 20 5 FGBDMO C[C@H](c1ccccc1[N+](=O)[O-])N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425966620 500217277 /nfs/dbraw/zinc/21/72/77/500217277.db2.gz LJIIBPAOHVEFBP-DYESRHJHSA-N 1 1 369.465 3.225 20 5 FGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425966621 500217452 /nfs/dbraw/zinc/21/74/52/500217452.db2.gz LJIIBPAOHVEFBP-LAUBAEHRSA-N 1 1 369.465 3.225 20 5 FGBDMO CC[N@@H+](CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)CCC(F)(F)F ZINC000427204203 500367102 /nfs/dbraw/zinc/36/71/02/500367102.db2.gz JTMSDWPWPSLUTB-UHFFFAOYSA-N 1 1 372.347 3.080 20 5 FGBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000431778742 500424070 /nfs/dbraw/zinc/42/40/70/500424070.db2.gz MVYXQVJHTADZHQ-GJZGRUSLSA-N 1 1 362.474 3.250 20 5 FGBDMO C[C@H]1C[C@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000420594320 500475874 /nfs/dbraw/zinc/47/58/74/500475874.db2.gz DIBVCCWEPQFIKT-GOEBONIOSA-N 1 1 368.437 3.159 20 5 FGBDMO CN(C[C@@H]1CCC[N@H+]1C)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000420637956 500481004 /nfs/dbraw/zinc/48/10/04/500481004.db2.gz PSGLICAEPDDPKD-VIFPVBQESA-N 1 1 368.306 3.174 20 5 FGBDMO C[C@H]1C[N@@H+](CCCNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCCO1 ZINC000432347096 500502356 /nfs/dbraw/zinc/50/23/56/500502356.db2.gz MBNSZUZQBFDMSN-INIZCTEOSA-N 1 1 373.453 3.445 20 5 FGBDMO C[C@H]1CN(CCC[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCCO1 ZINC000432347096 500502360 /nfs/dbraw/zinc/50/23/60/500502360.db2.gz MBNSZUZQBFDMSN-INIZCTEOSA-N 1 1 373.453 3.445 20 5 FGBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@@H](C2CCCC2)C1 ZINC000420964809 500543665 /nfs/dbraw/zinc/54/36/65/500543665.db2.gz QRVOMQXJYDOWKB-OAHLLOKOSA-N 1 1 359.426 3.405 20 5 FGBDMO Cc1ccccc1C[C@H](C)[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000447403115 500601188 /nfs/dbraw/zinc/60/11/88/500601188.db2.gz CNRDITSZPNYKJK-QFBILLFUSA-N 1 1 358.438 3.206 20 5 FGBDMO Cc1ccc2nc(C[NH2+][C@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)[nH]c2c1 ZINC000447563966 500625811 /nfs/dbraw/zinc/62/58/11/500625811.db2.gz TVRRNPKOQUYETH-GOEBONIOSA-N 1 1 354.414 3.250 20 5 FGBDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000443337752 500712095 /nfs/dbraw/zinc/71/20/95/500712095.db2.gz CTQOWOBOAYZIPX-KEYYUXOJSA-N 1 1 359.426 3.274 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)c([N+](=O)[O-])cc1OC(F)F ZINC000443349776 500713645 /nfs/dbraw/zinc/71/36/45/500713645.db2.gz YSVLHZIYEIMRNY-GMXVVIOVSA-N 1 1 374.384 3.186 20 5 FGBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000444186172 500815220 /nfs/dbraw/zinc/81/52/20/500815220.db2.gz RLLWYFDURGTCLD-BEFAXECRSA-N 1 1 371.437 3.286 20 5 FGBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+](C)CC[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000444186172 500815223 /nfs/dbraw/zinc/81/52/23/500815223.db2.gz RLLWYFDURGTCLD-BEFAXECRSA-N 1 1 371.437 3.286 20 5 FGBDMO O=C(NC[C@H]1CCCC[N@H+]1C1CC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000434359569 500831828 /nfs/dbraw/zinc/83/18/28/500831828.db2.gz WQNOMRFQQYMJEL-LJQANCHMSA-N 1 1 372.469 3.286 20 5 FGBDMO Cc1noc(CNc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000596030215 506220823 /nfs/dbraw/zinc/22/08/23/506220823.db2.gz OUTSXNHLNRRCKI-BETUJISGSA-N 1 1 360.414 3.113 20 5 FGBDMO Cc1noc(CNc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000596030215 506220829 /nfs/dbraw/zinc/22/08/29/506220829.db2.gz OUTSXNHLNRRCKI-BETUJISGSA-N 1 1 360.414 3.113 20 5 FGBDMO Cc1ccc(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])c(N2CCCC2)[nH+]1 ZINC000611582306 506221999 /nfs/dbraw/zinc/22/19/99/506221999.db2.gz ZBQLYZYVXNOPNI-UHFFFAOYSA-N 1 1 374.828 3.482 20 5 FGBDMO CCOc1cc(C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000444729681 500890157 /nfs/dbraw/zinc/89/01/57/500890157.db2.gz SERJTWIKQWPTFH-IUODEOHRSA-N 1 1 362.348 3.129 20 5 FGBDMO CCOc1cc(C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000444729681 500890158 /nfs/dbraw/zinc/89/01/58/500890158.db2.gz SERJTWIKQWPTFH-IUODEOHRSA-N 1 1 362.348 3.129 20 5 FGBDMO Cc1ccc([C@@H](C)NC(=O)NCC[N@H+]2CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000445114553 500945739 /nfs/dbraw/zinc/94/57/39/500945739.db2.gz OVRAMUHFFUFSGW-OAHLLOKOSA-N 1 1 362.474 3.385 20 5 FGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000449418150 500999433 /nfs/dbraw/zinc/99/94/33/500999433.db2.gz BMUCSNJDIQGOMW-IDIDMLECSA-N 1 1 356.397 3.408 20 5 FGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000449418150 500999435 /nfs/dbraw/zinc/99/94/35/500999435.db2.gz BMUCSNJDIQGOMW-IDIDMLECSA-N 1 1 356.397 3.408 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cnc(OC)c(Cl)c1 ZINC000449457107 501007565 /nfs/dbraw/zinc/00/75/65/501007565.db2.gz GTRFIMOXUDTDRA-UHFFFAOYSA-N 1 1 351.790 3.340 20 5 FGBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3cnn(CC(F)F)c3)C2)cc1 ZINC000449505854 501020122 /nfs/dbraw/zinc/02/01/22/501020122.db2.gz YBXLKIJVHAKMJJ-HNNXBMFYSA-N 1 1 350.369 3.436 20 5 FGBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436075898 501066369 /nfs/dbraw/zinc/06/63/69/501066369.db2.gz OLRBAUKXSKYIEN-CVEARBPZSA-N 1 1 361.445 3.038 20 5 FGBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000436254892 501096161 /nfs/dbraw/zinc/09/61/61/501096161.db2.gz UZTQNYQLHBQSCK-OAHLLOKOSA-N 1 1 363.461 3.143 20 5 FGBDMO COc1ccc(OCC[N@@H+](C)CCOc2ccccc2C)c([N+](=O)[O-])c1 ZINC000441244513 501107838 /nfs/dbraw/zinc/10/78/38/501107838.db2.gz KBQONIDGAVJTIN-UHFFFAOYSA-N 1 1 360.410 3.301 20 5 FGBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436336838 501110011 /nfs/dbraw/zinc/11/00/11/501110011.db2.gz IHHCNDJCUNVNFI-CQSZACIVSA-N 1 1 351.450 3.141 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2csc(NC[C@H]3CCCn4cc[nH+]c43)n2)cc1 ZINC000450395156 501110323 /nfs/dbraw/zinc/11/03/23/501110323.db2.gz UISXLIXQAZMQSO-CYBMUJFWSA-N 1 1 355.423 3.326 20 5 FGBDMO Cn1cc[nH+]c1C[C@@H]1CCCN(c2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000450395468 501110594 /nfs/dbraw/zinc/11/05/94/501110594.db2.gz TWZQCOFCJXSLJH-AWEZNQCLSA-N 1 1 351.410 3.336 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000441283454 501113860 /nfs/dbraw/zinc/11/38/60/501113860.db2.gz YRWCPWAEQTVDIY-BMFZPTHFSA-N 1 1 372.425 3.454 20 5 FGBDMO CC(C)[NH+](CCN(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)C(C)C ZINC000450738280 501197636 /nfs/dbraw/zinc/19/76/36/501197636.db2.gz MKWRPXYRPCOHGZ-UHFFFAOYSA-N 1 1 373.457 3.176 20 5 FGBDMO CC(C)[C@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000451161230 501249130 /nfs/dbraw/zinc/24/91/30/501249130.db2.gz ICNCXVRZIGNPED-CQSZACIVSA-N 1 1 359.348 3.026 20 5 FGBDMO CC(C)(C[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1)C(N)=O ZINC000451212635 501252419 /nfs/dbraw/zinc/25/24/19/501252419.db2.gz BTGHUOYVASDINM-GFCCVEGCSA-N 1 1 353.850 3.362 20 5 FGBDMO O=[N+]([O-])c1ccc2oc(CNC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)nc2c1 ZINC000602646507 506243392 /nfs/dbraw/zinc/24/33/92/506243392.db2.gz AFNDZSUXZLLHIH-INIZCTEOSA-N 1 1 366.421 3.348 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451361867 501275043 /nfs/dbraw/zinc/27/50/43/501275043.db2.gz GZQWOUZWPQADPG-KUNIGPEISA-N 1 1 371.437 3.074 20 5 FGBDMO COC(=O)c1c(Cl)c(N[C@H]2CC[N@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000596076320 506243650 /nfs/dbraw/zinc/24/36/50/506243650.db2.gz PDNSFPWRRZMNJS-JQWIXIFHSA-N 1 1 353.806 3.074 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@@H]3[C@H]3CCC[C@@H]3O)o2)c1 ZINC000451414803 501287792 /nfs/dbraw/zinc/28/77/92/501287792.db2.gz DTCKYKBTMGKKRW-KURKYZTESA-N 1 1 371.437 3.418 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3[C@@H]3CCC[C@H]3O)co2)cc1 ZINC000451421246 501288823 /nfs/dbraw/zinc/28/88/23/501288823.db2.gz OCIMCIVGMOVEAX-RCCFBDPRSA-N 1 1 357.410 3.375 20 5 FGBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](CCSCc2ccccc2)CC1 ZINC000453571965 501350389 /nfs/dbraw/zinc/35/03/89/501350389.db2.gz DGQPVLPJNFTFFJ-UHFFFAOYSA-N 1 1 358.467 3.045 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000451986953 501413453 /nfs/dbraw/zinc/41/34/53/501413453.db2.gz YCBZALXXTXUORJ-SFHVURJKSA-N 1 1 363.483 3.451 20 5 FGBDMO COc1ccc(N2CC[NH+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)nc1 ZINC000452057628 501427013 /nfs/dbraw/zinc/42/70/13/501427013.db2.gz LWBIHNZWXNALTG-HNNXBMFYSA-N 1 1 356.426 3.190 20 5 FGBDMO O=C([C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1)N1CCCC1 ZINC000602662923 506252588 /nfs/dbraw/zinc/25/25/88/506252588.db2.gz CAPNHMPVHBIALV-CYBMUJFWSA-N 1 1 371.359 3.058 20 5 FGBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000458420620 501440873 /nfs/dbraw/zinc/44/08/73/501440873.db2.gz KUURWJXGGRPAJV-HXUWFJFHSA-N 1 1 374.485 3.045 20 5 FGBDMO Cc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000456318013 501496241 /nfs/dbraw/zinc/49/62/41/501496241.db2.gz ZRCVAZGVSRAYMG-MRXNPFEDSA-N 1 1 367.449 3.497 20 5 FGBDMO C[C@H](NC(=O)N1CC[N@H+]([C@H]2C[C@@H]2C)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000458882601 501551713 /nfs/dbraw/zinc/55/17/13/501551713.db2.gz BPQLGXLDPOPBJT-XSWJXKHESA-N 1 1 360.458 3.028 20 5 FGBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454467143 501552129 /nfs/dbraw/zinc/55/21/29/501552129.db2.gz MZYAEYODHJDVFQ-DOTOQJQBSA-N 1 1 362.474 3.214 20 5 FGBDMO C[N@@H+](CCCCNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC000459133080 501600328 /nfs/dbraw/zinc/60/03/28/501600328.db2.gz CCNMOUCOELJTQC-UHFFFAOYSA-N 1 1 360.458 3.143 20 5 FGBDMO COC(=O)c1c(Cl)c(N2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000596109582 506264064 /nfs/dbraw/zinc/26/40/64/506264064.db2.gz YIBPWPGFGFWHOI-JTQLQIEISA-N 1 1 364.789 3.142 20 5 FGBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000457085462 501647334 /nfs/dbraw/zinc/64/73/34/501647334.db2.gz HKRVOZMINQAHMI-LBPRGKRZSA-N 1 1 359.348 3.168 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611706791 506266076 /nfs/dbraw/zinc/26/60/76/506266076.db2.gz JNZPHMNAMXVNCV-QGZVFWFLSA-N 1 1 363.421 3.249 20 5 FGBDMO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000457167176 501661046 /nfs/dbraw/zinc/66/10/46/501661046.db2.gz AOBNWOIEFGJEHZ-GFCCVEGCSA-N 1 1 369.849 3.006 20 5 FGBDMO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454980143 501665951 /nfs/dbraw/zinc/66/59/51/501665951.db2.gz WDFRQUADTPEFOJ-DOTOQJQBSA-N 1 1 362.474 3.213 20 5 FGBDMO COC(=O)c1cccnc1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000459512440 501667070 /nfs/dbraw/zinc/66/70/70/501667070.db2.gz NJKQXGHXASNZSO-OAHLLOKOSA-N 1 1 355.394 3.156 20 5 FGBDMO COC(=O)c1cccnc1C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000459512440 501667073 /nfs/dbraw/zinc/66/70/73/501667073.db2.gz NJKQXGHXASNZSO-OAHLLOKOSA-N 1 1 355.394 3.156 20 5 FGBDMO C[C@@H]([NH2+][C@H](C)c1nc2c(s1)CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000459631650 501690009 /nfs/dbraw/zinc/69/00/09/501690009.db2.gz JATQIYNWVWRKTI-GHMZBOCLSA-N 1 1 360.439 3.218 20 5 FGBDMO C[C@@H]([NH2+][C@@H](C)c1nc2c(s1)CCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000459637395 501690759 /nfs/dbraw/zinc/69/07/59/501690759.db2.gz RQTNELFOWSLWEF-MNOVXSKESA-N 1 1 360.439 3.218 20 5 FGBDMO CCOC[C@@H]1CCCC[N@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000459679113 501697700 /nfs/dbraw/zinc/69/77/00/501697700.db2.gz SDQFWRFWIRZYPG-SFHVURJKSA-N 1 1 358.442 3.386 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463453881 501729103 /nfs/dbraw/zinc/72/91/03/501729103.db2.gz WBXMHPVZOJDDKC-OAQYLSRUSA-N 1 1 370.449 3.421 20 5 FGBDMO C[C@H]1[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000477621165 501740727 /nfs/dbraw/zinc/74/07/27/501740727.db2.gz HKARJQPZDPFBRW-MAUKXSAKSA-N 1 1 368.437 3.057 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)C[C@@H]1C ZINC000596135167 506272886 /nfs/dbraw/zinc/27/28/86/506272886.db2.gz DEUCXEJUFOKKDV-RYUDHWBXSA-N 1 1 369.849 3.344 20 5 FGBDMO C[NH+](C)Cc1ccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1Cl ZINC000478036000 501861515 /nfs/dbraw/zinc/86/15/15/501861515.db2.gz JVBXUPGRKCWGLN-UHFFFAOYSA-N 1 1 373.800 3.438 20 5 FGBDMO O=C1[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCN1C1CCC1 ZINC000599020921 506282304 /nfs/dbraw/zinc/28/23/04/506282304.db2.gz VUSRXMQBDAEZGR-MRXNPFEDSA-N 1 1 355.394 3.098 20 5 FGBDMO C[N@@H+](CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)Cc1ccc(F)cc1 ZINC000481990375 501937979 /nfs/dbraw/zinc/93/79/79/501937979.db2.gz LETRNXIHXBSLRA-UHFFFAOYSA-N 1 1 371.368 3.342 20 5 FGBDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccc([N+](=O)[O-])n3C)cc2)C1 ZINC000478319147 501942500 /nfs/dbraw/zinc/94/25/00/501942500.db2.gz YESRMTJQEVRBGX-HNNXBMFYSA-N 1 1 370.453 3.095 20 5 FGBDMO COC(=O)c1cc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(C)c1[N+](=O)[O-] ZINC000474772206 501948147 /nfs/dbraw/zinc/94/81/47/501948147.db2.gz DPQGIHBLGLYMJS-INIZCTEOSA-N 1 1 369.421 3.376 20 5 FGBDMO C[C@@H](CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)OCc1ccccc1 ZINC000474969280 502007638 /nfs/dbraw/zinc/00/76/38/502007638.db2.gz BMAGZRUXYHCOIZ-FUHWJXTLSA-N 1 1 370.453 3.471 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2C[C@H](C)[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000475089663 502053767 /nfs/dbraw/zinc/05/37/67/502053767.db2.gz OEVNWUCUGKMXET-BPUTZDHNSA-N 1 1 362.426 3.157 20 5 FGBDMO Nc1ccc(N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)nc1[N+](=O)[O-] ZINC000596169146 506291205 /nfs/dbraw/zinc/29/12/05/506291205.db2.gz QWOXFNGDDDLQCP-SJLPKXTDSA-N 1 1 367.453 3.063 20 5 FGBDMO COc1c(C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000475116942 502066260 /nfs/dbraw/zinc/06/62/60/502066260.db2.gz GQNSVWBMVAXJHT-ZBFHGGJFSA-N 1 1 369.421 3.169 20 5 FGBDMO CC[N@@H+](C)[C@@H](C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000461415365 502104846 /nfs/dbraw/zinc/10/48/46/502104846.db2.gz XAZRJJGCSBPSIU-LJQANCHMSA-N 1 1 369.421 3.009 20 5 FGBDMO CCOc1cc(NCc2ccc(C[NH+]3CCOCC3)cc2)ccc1[N+](=O)[O-] ZINC000486437376 502153375 /nfs/dbraw/zinc/15/33/75/502153375.db2.gz UYRDIJZDCHOAEV-UHFFFAOYSA-N 1 1 371.437 3.438 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@H](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000475715931 502262427 /nfs/dbraw/zinc/26/24/27/502262427.db2.gz FOKTZPCUVQLVLP-INIZCTEOSA-N 1 1 364.442 3.405 20 5 FGBDMO Cc1ccc(C[N@@H+](CCO)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)o1 ZINC000483180600 502304727 /nfs/dbraw/zinc/30/47/27/502304727.db2.gz QTZRDJRGLSFLMA-UHFFFAOYSA-N 1 1 371.393 3.188 20 5 FGBDMO CN(c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000462484256 502458604 /nfs/dbraw/zinc/45/86/04/502458604.db2.gz QSSUKHNVKRBPJV-QGZVFWFLSA-N 1 1 368.437 3.242 20 5 FGBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000462482937 502458816 /nfs/dbraw/zinc/45/88/16/502458816.db2.gz IREWDKUJPLQACP-IBGZPJMESA-N 1 1 369.465 3.412 20 5 FGBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466213463 502505093 /nfs/dbraw/zinc/50/50/93/502505093.db2.gz AMBUPJRYUDBWCS-AWEZNQCLSA-N 1 1 368.865 3.312 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000462656256 502524928 /nfs/dbraw/zinc/52/49/28/502524928.db2.gz LDOSRWDBCODEQP-UGSOOPFHSA-N 1 1 372.400 3.376 20 5 FGBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)[C@@H](C)C[N@H+]1C ZINC000462698358 502538191 /nfs/dbraw/zinc/53/81/91/502538191.db2.gz YBJCIBYKHUIPFH-CABCVRRESA-N 1 1 356.426 3.098 20 5 FGBDMO Cc1ccc2c(c1)CC[N@H+](CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)C2 ZINC000484014802 502550454 /nfs/dbraw/zinc/55/04/54/502550454.db2.gz KJBMVFHUAITUBY-UHFFFAOYSA-N 1 1 367.405 3.260 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000462757965 502559407 /nfs/dbraw/zinc/55/94/07/502559407.db2.gz CFYOJEGGSBYOPJ-LZLYRXPVSA-N 1 1 361.486 3.400 20 5 FGBDMO COCC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCC[C@@H]1C ZINC000488060903 502614355 /nfs/dbraw/zinc/61/43/55/502614355.db2.gz JPSTUNJSYIXTIH-XJKSGUPXSA-N 1 1 360.414 3.282 20 5 FGBDMO C[C@@H]1[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000484333775 502626914 /nfs/dbraw/zinc/62/69/14/502626914.db2.gz BBCFZTQAFMRXCW-BEFAXECRSA-N 1 1 368.437 3.057 20 5 FGBDMO C[N@H+]1CCC[C@@]2(CCN(c3c(Br)cccc3[N+](=O)[O-])C2)C1 ZINC000596242917 506327360 /nfs/dbraw/zinc/32/73/60/506327360.db2.gz DKBSMTWHAVQAIL-OAHLLOKOSA-N 1 1 354.248 3.279 20 5 FGBDMO COC(=O)[C@@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1C ZINC000470149978 502680239 /nfs/dbraw/zinc/68/02/39/502680239.db2.gz VMVOUZUTEBYSNY-IAQYHMDHSA-N 1 1 361.423 3.102 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1C ZINC000470149978 502680240 /nfs/dbraw/zinc/68/02/40/502680240.db2.gz VMVOUZUTEBYSNY-IAQYHMDHSA-N 1 1 361.423 3.102 20 5 FGBDMO C[C@H]1CCN(c2nc3sccn3c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000463067767 502681971 /nfs/dbraw/zinc/68/19/71/502681971.db2.gz ILPBJNOMJGICMX-AWEZNQCLSA-N 1 1 371.466 3.405 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000470170222 502691571 /nfs/dbraw/zinc/69/15/71/502691571.db2.gz QNEKPZXYSBFCNZ-JMPLCFMRSA-N 1 1 367.453 3.415 20 5 FGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H]1C(=O)NCc1ccco1 ZINC000470174901 502694346 /nfs/dbraw/zinc/69/43/46/502694346.db2.gz NSDMVWFLMFTXOO-HVEPWOEZSA-N 1 1 369.421 3.372 20 5 FGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H]1C(=O)NCc1ccco1 ZINC000470174901 502694351 /nfs/dbraw/zinc/69/43/51/502694351.db2.gz NSDMVWFLMFTXOO-HVEPWOEZSA-N 1 1 369.421 3.372 20 5 FGBDMO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000488472977 502724457 /nfs/dbraw/zinc/72/44/57/502724457.db2.gz VTVQQRAVYDOLBU-YNEHKIRRSA-N 1 1 374.445 3.294 20 5 FGBDMO COCC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CC[C@H](C)C1 ZINC000484897007 502768296 /nfs/dbraw/zinc/76/82/96/502768296.db2.gz ZVCOJDMPETUMCQ-XJKSGUPXSA-N 1 1 360.414 3.282 20 5 FGBDMO COCC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CC[C@@H](C)C1 ZINC000484900451 502770424 /nfs/dbraw/zinc/77/04/24/502770424.db2.gz VOCSHFNGGSVHMH-CJNGLKHVSA-N 1 1 360.414 3.282 20 5 FGBDMO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000481185685 502777658 /nfs/dbraw/zinc/77/76/58/502777658.db2.gz DWCKFVPCKWPESJ-PKOBYXMFSA-N 1 1 369.465 3.474 20 5 FGBDMO CCCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000505006404 502838313 /nfs/dbraw/zinc/83/83/13/502838313.db2.gz SXFBGCGMNYXNST-KRWDZBQOSA-N 1 1 370.453 3.440 20 5 FGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](n2ccnn2)CC1 ZINC000602888166 506337439 /nfs/dbraw/zinc/33/74/39/506337439.db2.gz LMKKBHLZBAUJHF-MRXNPFEDSA-N 1 1 359.430 3.201 20 5 FGBDMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])n3C)cc2)C1 ZINC000500758677 502856094 /nfs/dbraw/zinc/85/60/94/502856094.db2.gz MHRSZPYNQMOLCW-AWEZNQCLSA-N 1 1 356.426 3.418 20 5 FGBDMO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1C ZINC000489069598 502873359 /nfs/dbraw/zinc/87/33/59/502873359.db2.gz YVBWHMFNXWBOQS-AWEZNQCLSA-N 1 1 357.410 3.371 20 5 FGBDMO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1C ZINC000489069598 502873364 /nfs/dbraw/zinc/87/33/64/502873364.db2.gz YVBWHMFNXWBOQS-AWEZNQCLSA-N 1 1 357.410 3.371 20 5 FGBDMO CC1CCC(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CC1 ZINC000509780630 502984625 /nfs/dbraw/zinc/98/46/25/502984625.db2.gz DDJSFMFTZVEJAQ-UHFFFAOYSA-N 1 1 351.472 3.240 20 5 FGBDMO CC[C@@H](NC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000489599191 502995411 /nfs/dbraw/zinc/99/54/11/502995411.db2.gz NGFPPMTTYUGHON-MAUKXSAKSA-N 1 1 360.458 3.362 20 5 FGBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000588821959 506346610 /nfs/dbraw/zinc/34/66/10/506346610.db2.gz SUMOBYXFTYZEDE-OAHLLOKOSA-N 1 1 354.414 3.249 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000513880959 503041553 /nfs/dbraw/zinc/04/15/53/503041553.db2.gz HUVCOVQJSMSUMO-GFCCVEGCSA-N 1 1 373.425 3.240 20 5 FGBDMO O=C(c1ccccc1)c1ccc(N[C@@H]2CCn3cc[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000489932130 503068745 /nfs/dbraw/zinc/06/87/45/503068745.db2.gz CPPDYFXYNCIRJN-MRXNPFEDSA-N 1 1 362.389 3.449 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1ccc([N+](=O)[O-])cc1 ZINC000514086237 503083807 /nfs/dbraw/zinc/08/38/07/503083807.db2.gz ZWRHNNMFUHHCLJ-PKOBYXMFSA-N 1 1 364.405 3.011 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000506447974 503116661 /nfs/dbraw/zinc/11/66/61/503116661.db2.gz OZYHGFYJMUMJAP-INIZCTEOSA-N 1 1 373.409 3.072 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000510733139 503181150 /nfs/dbraw/zinc/18/11/50/503181150.db2.gz KYKHYTZITBJBOY-OAHLLOKOSA-N 1 1 353.422 3.080 20 5 FGBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@]2(CO)Cc2ccccc2)c(F)c1 ZINC000510775877 503189785 /nfs/dbraw/zinc/18/97/85/503189785.db2.gz AUEJHIXDLXHMEZ-LJQANCHMSA-N 1 1 362.376 3.443 20 5 FGBDMO Cc1c(C[N@H+]2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000510874135 503208750 /nfs/dbraw/zinc/20/87/50/503208750.db2.gz IHYNBXYZKZGEPA-ZDUSSCGKSA-N 1 1 373.375 3.184 20 5 FGBDMO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511075584 503247686 /nfs/dbraw/zinc/24/76/86/503247686.db2.gz RWBMCTROBMIDNL-HPFXQQBRSA-N 1 1 361.486 3.399 20 5 FGBDMO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511075584 503247691 /nfs/dbraw/zinc/24/76/91/503247691.db2.gz RWBMCTROBMIDNL-HPFXQQBRSA-N 1 1 361.486 3.399 20 5 FGBDMO C[C@]1(O)CCOC[C@H]1[C@@H]1CCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000498759452 503258433 /nfs/dbraw/zinc/25/84/33/503258433.db2.gz VUSJYFHSHPQOBK-JQFCIGGWSA-N 1 1 354.834 3.000 20 5 FGBDMO C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511135760 503265449 /nfs/dbraw/zinc/26/54/49/503265449.db2.gz HSTOOVRRUPSXRG-INIZCTEOSA-N 1 1 367.449 3.043 20 5 FGBDMO C[C@@H](C(=O)N1CCc2ccccc2C1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511135760 503265457 /nfs/dbraw/zinc/26/54/57/503265457.db2.gz HSTOOVRRUPSXRG-INIZCTEOSA-N 1 1 367.449 3.043 20 5 FGBDMO C[C@@H](CNC(=O)[C@@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000511140878 503266875 /nfs/dbraw/zinc/26/68/75/503266875.db2.gz VGITZCZOYJYETK-DLBZAZTESA-N 1 1 369.465 3.378 20 5 FGBDMO C[C@@H](CNC(=O)[C@@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000511140878 503266878 /nfs/dbraw/zinc/26/68/78/503266878.db2.gz VGITZCZOYJYETK-DLBZAZTESA-N 1 1 369.465 3.378 20 5 FGBDMO CC[N@H+]1C[C@@H](C)N(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C[C@H]1C ZINC000498916125 503291934 /nfs/dbraw/zinc/29/19/34/503291934.db2.gz PTOUBTZELVDIRR-VXGBXAGGSA-N 1 1 373.400 3.119 20 5 FGBDMO Cc1ccccc1[C@@]1(F)CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000502875885 503295637 /nfs/dbraw/zinc/29/56/37/503295637.db2.gz GJUHEIXWVLIPLA-LJQANCHMSA-N 1 1 357.385 3.073 20 5 FGBDMO Cc1ccccc1[C@@]1(F)CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000502875885 503295638 /nfs/dbraw/zinc/29/56/38/503295638.db2.gz GJUHEIXWVLIPLA-LJQANCHMSA-N 1 1 357.385 3.073 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(CCF)CC1 ZINC000602948800 506363313 /nfs/dbraw/zinc/36/33/13/506363313.db2.gz ULEFHYZJYHINQY-GFCCVEGCSA-N 1 1 353.394 3.002 20 5 FGBDMO Cc1ccccc1[C@@]1(F)CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000502907875 503305925 /nfs/dbraw/zinc/30/59/25/503305925.db2.gz VBKYASCJWSAYGP-YLJYHZDGSA-N 1 1 374.412 3.214 20 5 FGBDMO Cc1ccccc1[C@@]1(F)CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000502907875 503305927 /nfs/dbraw/zinc/30/59/27/503305927.db2.gz VBKYASCJWSAYGP-YLJYHZDGSA-N 1 1 374.412 3.214 20 5 FGBDMO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000503263316 503380365 /nfs/dbraw/zinc/38/03/65/503380365.db2.gz MHMKLOSWSRJOQN-MRXNPFEDSA-N 1 1 355.438 3.289 20 5 FGBDMO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000503263316 503380368 /nfs/dbraw/zinc/38/03/68/503380368.db2.gz MHMKLOSWSRJOQN-MRXNPFEDSA-N 1 1 355.438 3.289 20 5 FGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c1 ZINC000511760931 503382225 /nfs/dbraw/zinc/38/22/25/503382225.db2.gz YROMMWJUVYRNPO-NJYVYQBISA-N 1 1 368.433 3.478 20 5 FGBDMO CCOc1cc(C[N@H+](CCC2CCCCC2)CC(N)=O)ccc1[N+](=O)[O-] ZINC000492787188 503385118 /nfs/dbraw/zinc/38/51/18/503385118.db2.gz CMZJQIKLHXWDBP-UHFFFAOYSA-N 1 1 363.458 3.251 20 5 FGBDMO CCOc1cc(C[N@@H+](CCC2CCCCC2)CC(N)=O)ccc1[N+](=O)[O-] ZINC000492787188 503385120 /nfs/dbraw/zinc/38/51/20/503385120.db2.gz CMZJQIKLHXWDBP-UHFFFAOYSA-N 1 1 363.458 3.251 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000493281959 503418336 /nfs/dbraw/zinc/41/83/36/503418336.db2.gz RNKIBUDSEGJDQP-VYDXJSESSA-N 1 1 362.474 3.478 20 5 FGBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000499672835 503454538 /nfs/dbraw/zinc/45/45/38/503454538.db2.gz XKHSUVXSMOSUDE-QGZVFWFLSA-N 1 1 362.474 3.168 20 5 FGBDMO Cc1sc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000494058015 503480997 /nfs/dbraw/zinc/48/09/97/503480997.db2.gz DXPWIQYOQAQYOX-DOMZBBRYSA-N 1 1 359.451 3.358 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)Cc1cccc2[nH]ccc21 ZINC000494109701 503488665 /nfs/dbraw/zinc/48/86/65/503488665.db2.gz VRIFCWYKYVHEEJ-UHFFFAOYSA-N 1 1 352.394 3.455 20 5 FGBDMO Cc1ccc2c(c1)C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CCO2 ZINC000512294876 503512482 /nfs/dbraw/zinc/51/24/82/503512482.db2.gz YOLWWTONZAABFM-UHFFFAOYSA-N 1 1 369.421 3.435 20 5 FGBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000494297343 503521839 /nfs/dbraw/zinc/52/18/39/503521839.db2.gz DTZCHMFIFOWEQL-AWEZNQCLSA-N 1 1 358.442 3.318 20 5 FGBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)C1 ZINC000494373331 503532656 /nfs/dbraw/zinc/53/26/56/503532656.db2.gz XAAFWMODTRBJCS-MKBNYLNASA-N 1 1 366.849 3.442 20 5 FGBDMO Cc1ccc(C[C@H]2CCC[N@H+]2C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000500231577 503584225 /nfs/dbraw/zinc/58/42/25/503584225.db2.gz BMBFHOJFMLYALO-QUCCMNQESA-N 1 1 370.449 3.350 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000500440578 503625384 /nfs/dbraw/zinc/62/53/84/503625384.db2.gz WLLGPXGUBVXJBD-IAGOWNOFSA-N 1 1 367.449 3.259 20 5 FGBDMO Cn1cc([C@H]2C[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2(C)C)cn1 ZINC000517038787 503649459 /nfs/dbraw/zinc/64/94/59/503649459.db2.gz NEGYGCGLOWCBCX-CQSZACIVSA-N 1 1 355.398 3.095 20 5 FGBDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000532974079 503683709 /nfs/dbraw/zinc/68/37/09/503683709.db2.gz OQJTUWXYLZRPSD-INIZCTEOSA-N 1 1 371.437 3.495 20 5 FGBDMO COC(=O)CC[N@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000527304573 503758304 /nfs/dbraw/zinc/75/83/04/503758304.db2.gz ZKNIYITYVJTGCK-HAZIXKIPSA-N 1 1 362.426 3.042 20 5 FGBDMO CC(C)C[N@@H+](CCc1ccccc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000533249751 503776153 /nfs/dbraw/zinc/77/61/53/503776153.db2.gz RSCYVCYILUXZSX-UHFFFAOYSA-N 1 1 355.438 3.394 20 5 FGBDMO C[C@H](C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21)c1ccc([N+](=O)[O-])cc1F ZINC000543458933 503779673 /nfs/dbraw/zinc/77/96/73/503779673.db2.gz KKXUHUGBMBOVJO-SGTLLEGYSA-N 1 1 357.385 3.140 20 5 FGBDMO C[C@H](C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21)c1ccc([N+](=O)[O-])cc1F ZINC000543458933 503779679 /nfs/dbraw/zinc/77/96/79/503779679.db2.gz KKXUHUGBMBOVJO-SGTLLEGYSA-N 1 1 357.385 3.140 20 5 FGBDMO C[C@H]([NH2+]CC(=O)Nc1ccc(OC(F)F)cc1)c1ccccc1[N+](=O)[O-] ZINC000537178975 503829648 /nfs/dbraw/zinc/82/96/48/503829648.db2.gz KEGJQRFXZIAZIB-NSHDSACASA-N 1 1 365.336 3.486 20 5 FGBDMO C[C@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](C)C1 ZINC000518045553 503897541 /nfs/dbraw/zinc/89/75/41/503897541.db2.gz WIJXMUMUSGMIKQ-JKSUJKDBSA-N 1 1 362.474 3.024 20 5 FGBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000537479560 503928046 /nfs/dbraw/zinc/92/80/46/503928046.db2.gz PVNGLMQPPCGDQF-CYBMUJFWSA-N 1 1 363.483 3.454 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541010357 503974028 /nfs/dbraw/zinc/97/40/28/503974028.db2.gz YQBRJJWYPHEBKY-LBPRGKRZSA-N 1 1 371.384 3.191 20 5 FGBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000544144076 504026732 /nfs/dbraw/zinc/02/67/32/504026732.db2.gz UKUXRQFSMGFUPX-NZSAHSFTSA-N 1 1 370.449 3.460 20 5 FGBDMO CC1(C)C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])Cc2ccccc21 ZINC000541337802 504095999 /nfs/dbraw/zinc/09/59/99/504095999.db2.gz LCIKQORWZKIGNZ-INIZCTEOSA-N 1 1 356.422 3.128 20 5 FGBDMO C[C@H](Cc1ccccc1)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000544408041 504122000 /nfs/dbraw/zinc/12/20/00/504122000.db2.gz PDPYAXSBWJXUIM-OAHLLOKOSA-N 1 1 373.478 3.293 20 5 FGBDMO COc1cc([C@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)ccc1OCC(C)C ZINC000538168513 504151417 /nfs/dbraw/zinc/15/14/17/504151417.db2.gz SYGNNIWZCZAQIX-ZDUSSCGKSA-N 1 1 362.430 3.223 20 5 FGBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@](C)(O)C2)cc1OC ZINC000541986740 504325103 /nfs/dbraw/zinc/32/51/03/504325103.db2.gz ZCEZYSWYFBYIKS-AUUYWEPGSA-N 1 1 366.458 3.375 20 5 FGBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@](C)(O)C2)cc1OC ZINC000541986740 504325108 /nfs/dbraw/zinc/32/51/08/504325108.db2.gz ZCEZYSWYFBYIKS-AUUYWEPGSA-N 1 1 366.458 3.375 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@](C)(O)C2)cc1OC ZINC000541986743 504325271 /nfs/dbraw/zinc/32/52/71/504325271.db2.gz ZCEZYSWYFBYIKS-LIRRHRJNSA-N 1 1 366.458 3.375 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@](C)(O)C2)cc1OC ZINC000541986743 504325275 /nfs/dbraw/zinc/32/52/75/504325275.db2.gz ZCEZYSWYFBYIKS-LIRRHRJNSA-N 1 1 366.458 3.375 20 5 FGBDMO CC(C)[N@H+](Cc1ccccc1F)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000519907756 504380245 /nfs/dbraw/zinc/38/02/45/504380245.db2.gz AUYQOJHLBJCUAW-QGZVFWFLSA-N 1 1 362.401 3.384 20 5 FGBDMO Cc1ccc(C[C@H](C)[N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000542280170 504437848 /nfs/dbraw/zinc/43/78/48/504437848.db2.gz MVFAXXSFLPWBOK-WMZOPIPTSA-N 1 1 358.438 3.206 20 5 FGBDMO 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Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000598560459 507486225 /nfs/dbraw/zinc/48/62/25/507486225.db2.gz MKLOPHKPTRSHFD-KRWDZBQOSA-N 1 1 359.470 3.372 20 5 FGBDMO CC(C)(C)OC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000592130142 507495566 /nfs/dbraw/zinc/49/55/66/507495566.db2.gz TWDAXKUWJUJKEH-UHFFFAOYSA-N 1 1 364.442 3.308 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3[C@@H]3CCCOC3)o2)cc1 ZINC000592134268 507499165 /nfs/dbraw/zinc/49/91/65/507499165.db2.gz OZWOSQPPXKZJOB-GDBMZVCRSA-N 1 1 358.398 3.036 20 5 FGBDMO Cc1ccc(C[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC2CC2)cn1 ZINC000592145975 507509004 /nfs/dbraw/zinc/50/90/04/507509004.db2.gz HRFAYCPUVMHHAM-UHFFFAOYSA-N 1 1 368.437 3.457 20 5 FGBDMO Cc1ccc(C[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC2CC2)cn1 ZINC000592145975 507509009 /nfs/dbraw/zinc/50/90/09/507509009.db2.gz HRFAYCPUVMHHAM-UHFFFAOYSA-N 1 1 368.437 3.457 20 5 FGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](C(=O)NCc2ccccc2)C1 ZINC000592153937 507509928 /nfs/dbraw/zinc/50/99/28/507509928.db2.gz DMTWUIDSHHGUJQ-QAPCUYQASA-N 1 1 353.422 3.294 20 5 FGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000595483370 507522295 /nfs/dbraw/zinc/52/22/95/507522295.db2.gz GRJAOGOEFQSWPZ-INIZCTEOSA-N 1 1 361.486 3.354 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000595545182 507553183 /nfs/dbraw/zinc/55/31/83/507553183.db2.gz PUHHXXBBWDJDLT-RDJZCZTQSA-N 1 1 374.485 3.385 20 5 FGBDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1(C)C ZINC000611273741 507599647 /nfs/dbraw/zinc/59/96/47/507599647.db2.gz XHVQNAYAJSRTIM-DLBZAZTESA-N 1 1 350.415 3.001 20 5 FGBDMO C[C@@H]([NH2+]Cc1nnnn1C1CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000611336508 507627732 /nfs/dbraw/zinc/62/77/32/507627732.db2.gz MXDZXECUOZTHTD-LLVKDONJSA-N 1 1 370.438 3.496 20 5 FGBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000595699764 507635400 /nfs/dbraw/zinc/63/54/00/507635400.db2.gz AILXDCMRULBZJU-MRXNPFEDSA-N 1 1 371.368 3.479 20 5 FGBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000595699764 507635406 /nfs/dbraw/zinc/63/54/06/507635406.db2.gz AILXDCMRULBZJU-MRXNPFEDSA-N 1 1 371.368 3.479 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H]1CCOc3ccc(F)cc31)OCCO2 ZINC000614821876 507665779 /nfs/dbraw/zinc/66/57/79/507665779.db2.gz OEYLEHXBSKFVSL-AWEZNQCLSA-N 1 1 360.341 3.119 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1CCOc3ccc(F)cc31)OCCO2 ZINC000614821877 507666287 /nfs/dbraw/zinc/66/62/87/507666287.db2.gz OEYLEHXBSKFVSL-CQSZACIVSA-N 1 1 360.341 3.119 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000595751392 507666455 /nfs/dbraw/zinc/66/64/55/507666455.db2.gz VVICQFCWQBZRBL-OAHLLOKOSA-N 1 1 355.232 3.094 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000595751392 507666460 /nfs/dbraw/zinc/66/64/60/507666460.db2.gz VVICQFCWQBZRBL-OAHLLOKOSA-N 1 1 355.232 3.094 20 5 FGBDMO CC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(=O)N1CCCCCC1 ZINC000586786129 507670941 /nfs/dbraw/zinc/67/09/41/507670941.db2.gz MLTSUDHIOLGLAG-UHFFFAOYSA-N 1 1 363.458 3.088 20 5 FGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000595832455 507706615 /nfs/dbraw/zinc/70/66/15/507706615.db2.gz QYADCDUDDAQIAW-RDTXWAMCSA-N 1 1 355.394 3.075 20 5 FGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000595832455 507706620 /nfs/dbraw/zinc/70/66/20/507706620.db2.gz QYADCDUDDAQIAW-RDTXWAMCSA-N 1 1 355.394 3.075 20 5 FGBDMO Cc1[nH]c2ccccc2c1C1=CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602439468 507711051 /nfs/dbraw/zinc/71/10/51/507711051.db2.gz CYFFRAGAZZDTJB-UHFFFAOYSA-N 1 1 351.410 3.407 20 5 FGBDMO Cc1[nH]c2ccccc2c1C1=CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602439468 507711060 /nfs/dbraw/zinc/71/10/60/507711060.db2.gz CYFFRAGAZZDTJB-UHFFFAOYSA-N 1 1 351.410 3.407 20 5 FGBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](CCC2CC2)CC2CC2)c([N+](=O)[O-])c1 ZINC000595872345 507720543 /nfs/dbraw/zinc/72/05/43/507720543.db2.gz WBOUWHKRVWLURL-CYBMUJFWSA-N 1 1 361.442 3.443 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C[C@H]1CCc2ccccc21 ZINC000595881946 507726122 /nfs/dbraw/zinc/72/61/22/507726122.db2.gz XSDAYWNYEXNPFA-OAHLLOKOSA-N 1 1 369.421 3.204 20 5 FGBDMO C[C@H]1C[C@@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)CC[N@H+]1Cc1ccccc1 ZINC000587993382 507727574 /nfs/dbraw/zinc/72/75/74/507727574.db2.gz GZRAWWXZETVIKS-YOEHRIQHSA-N 1 1 370.453 3.134 20 5 FGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1c2ccccc2C[C@@H]1O ZINC000602520103 507735147 /nfs/dbraw/zinc/73/51/47/507735147.db2.gz DIPNJCITPMPKRP-JKSUJKDBSA-N 1 1 352.312 3.362 20 5 FGBDMO O=[N+]([O-])c1sc(C[NH2+][C@@H]2c3ccccc3C[C@@H]2O)cc1Br ZINC000602519853 507735366 /nfs/dbraw/zinc/73/53/66/507735366.db2.gz BSYMQQASVVNHRW-QWHCGFSZSA-N 1 1 369.240 3.167 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000611556435 507738099 /nfs/dbraw/zinc/73/80/99/507738099.db2.gz YAPDWUUCSYQCSW-CQSZACIVSA-N 1 1 363.483 3.311 20 5 FGBDMO Cc1ccc(C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)cc1[N+](=O)[O-] ZINC000826288546 608137637 /nfs/dbraw/zinc/13/76/37/608137637.db2.gz MDVXMUUMOOQYOG-NSHDSACASA-N 1 1 356.361 3.073 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H](O)c3ccccc3Cl)CC2)cc1 ZINC000046037992 695830537 /nfs/dbraw/zinc/83/05/37/695830537.db2.gz QOJXOPUZUSATMC-SFHVURJKSA-N 1 1 361.829 3.104 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC4(C3)OCCO4)o2)c(Cl)c1 ZINC000093012809 700446090 /nfs/dbraw/zinc/44/60/90/700446090.db2.gz ZPAZBQMCPSFSDF-UHFFFAOYSA-N 1 1 364.785 3.457 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC4(C3)OCCO4)o2)c(Cl)c1 ZINC000093012809 700446094 /nfs/dbraw/zinc/44/60/94/700446094.db2.gz ZPAZBQMCPSFSDF-UHFFFAOYSA-N 1 1 364.785 3.457 20 5 FGBDMO CC(C)[C@H]1C[N@@H+](C)CCN1Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000153653506 705007399 /nfs/dbraw/zinc/00/73/99/705007399.db2.gz OCLNNCLIICKWRY-CQSZACIVSA-N 1 1 350.444 3.101 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)s1 ZINC000187548153 712746041 /nfs/dbraw/zinc/74/60/41/712746041.db2.gz SEGVEMLQABVENX-SFHVURJKSA-N 1 1 360.435 3.315 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCO[C@@]3(CCOC3)C2)s1 ZINC000187548153 712746043 /nfs/dbraw/zinc/74/60/43/712746043.db2.gz SEGVEMLQABVENX-SFHVURJKSA-N 1 1 360.435 3.315 20 5 FGBDMO Cc1ccc(C[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000195422654 713555807 /nfs/dbraw/zinc/55/58/07/713555807.db2.gz JESBGMIIIHGHRR-UHFFFAOYSA-N 1 1 368.842 3.120 20 5 FGBDMO Cc1[nH+]c(CNc2ncc(Br)cc2[N+](=O)[O-])c2n1CCCC2 ZINC000374504889 713926832 /nfs/dbraw/zinc/92/68/32/713926832.db2.gz KIKLJXYADHEANV-UHFFFAOYSA-N 1 1 366.219 3.206 20 5 FGBDMO COc1cc(CO[NH+]=C(N)CC(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000779952747 724438068 /nfs/dbraw/zinc/43/80/68/724438068.db2.gz LPUAAAVBRCLEBZ-UHFFFAOYSA-N 1 1 361.345 3.292 20 5 FGBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000769517017 723688619 /nfs/dbraw/zinc/68/86/19/723688619.db2.gz YGTISXKMJXFPPY-NWDGAFQWSA-N 1 1 355.232 3.216 20 5 FGBDMO Cc1ccc(NC[C@@H](C)C[NH+]2CCOCC2)c([N+](=O)[O-])c1Br ZINC000804477155 724520910 /nfs/dbraw/zinc/52/09/10/724520910.db2.gz TVRPFRVFFFUGJQ-LLVKDONJSA-N 1 1 372.263 3.046 20 5 FGBDMO COc1cnc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c([N+](=O)[O-])c1 ZINC001164624293 719075218 /nfs/dbraw/zinc/07/52/18/719075218.db2.gz KWEHETJXXQEOJO-APWZRJJASA-N 1 1 368.437 3.099 20 5 FGBDMO O=C1Nc2ccccc2[C@]12CC[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C2 ZINC000783677152 724778006 /nfs/dbraw/zinc/77/80/06/724778006.db2.gz IWTNLDKYOINNNH-GOSISDBHSA-N 1 1 357.797 3.344 20 5 FGBDMO O=[N+]([O-])c1ccnc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164994210 722191595 /nfs/dbraw/zinc/19/15/95/722191595.db2.gz LTAMWRFJDNIXJZ-LJQANCHMSA-N 1 1 356.401 3.374 20 5 FGBDMO C[C@H](C(=O)OCCCOc1ccc([N+](=O)[O-])cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000741024522 722541532 /nfs/dbraw/zinc/54/15/32/722541532.db2.gz WMTRXASCHPRGKB-QLFBSQMISA-N 1 1 350.415 3.168 20 5 FGBDMO COc1ccc(Cl)cc1C[C@@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000741248345 722543767 /nfs/dbraw/zinc/54/37/67/722543767.db2.gz XXVSSEFWCRIJRP-ZDUSSCGKSA-N 1 1 364.833 3.366 20 5 FGBDMO COc1ccc(Cl)cc1C[C@@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000741248345 722543768 /nfs/dbraw/zinc/54/37/68/722543768.db2.gz XXVSSEFWCRIJRP-ZDUSSCGKSA-N 1 1 364.833 3.366 20 5 FGBDMO CCS[C@H]1CC[C@@H]([N@@H+](C)Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000743399432 722566917 /nfs/dbraw/zinc/56/69/17/722566917.db2.gz LMBJSICGBHDRSO-CABCVRRESA-N 1 1 361.471 3.417 20 5 FGBDMO O=C1[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCN1Cc1ccccc1 ZINC000748820449 722705841 /nfs/dbraw/zinc/70/58/41/722705841.db2.gz KUTHLHQSHLWALF-QGZVFWFLSA-N 1 1 359.813 3.139 20 5 FGBDMO C[N@@H+](CCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C1CCCCC1 ZINC000757196844 722975401 /nfs/dbraw/zinc/97/54/01/722975401.db2.gz XINOEQHHAGWJQU-UHFFFAOYSA-N 1 1 368.865 3.312 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000791129603 723213343 /nfs/dbraw/zinc/21/33/43/723213343.db2.gz OSUHZXPGRSCZFA-WCQYABFASA-N 1 1 371.840 3.261 20 5 FGBDMO C[NH+]1CCN(c2ccc(Nc3ncc([N+](=O)[O-])s3)cc2Cl)CC1 ZINC000799934344 724115294 /nfs/dbraw/zinc/11/52/94/724115294.db2.gz WHNHEWKHFFINGU-UHFFFAOYSA-N 1 1 353.835 3.200 20 5 FGBDMO COc1cc(C[N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)ccc1SC ZINC000776580353 724162208 /nfs/dbraw/zinc/16/22/08/724162208.db2.gz URMIRRGDLOONME-INIZCTEOSA-N 1 1 362.451 3.491 20 5 FGBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cn1c(=O)oc2cc(Cl)ccc21 ZINC000800866370 724239976 /nfs/dbraw/zinc/23/99/76/724239976.db2.gz ZTDVLWSYPQBIDA-UHFFFAOYSA-N 1 1 361.785 3.288 20 5 FGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cn1c(=O)oc2cc(Cl)ccc21 ZINC000800866370 724239978 /nfs/dbraw/zinc/23/99/78/724239978.db2.gz ZTDVLWSYPQBIDA-UHFFFAOYSA-N 1 1 361.785 3.288 20 5 FGBDMO O=C(C[N@H+]1CCC[C@H]1C1CCOCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000777739393 724254142 /nfs/dbraw/zinc/25/41/42/724254142.db2.gz HHVJYMCBGXLMRG-HNNXBMFYSA-N 1 1 367.833 3.078 20 5 FGBDMO C[C@@H](CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@H]1C ZINC000777945150 724273888 /nfs/dbraw/zinc/27/38/88/724273888.db2.gz XWCBUEZMFZWOTI-OLZOCXBDSA-N 1 1 355.385 3.066 20 5 FGBDMO COC(=O)C[C@](C)([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccncc1 ZINC000789553702 725136309 /nfs/dbraw/zinc/13/63/09/725136309.db2.gz CQNDODDTHWONEQ-KRWDZBQOSA-N 1 1 363.801 3.211 20 5 FGBDMO O=C(O[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000810846131 725330902 /nfs/dbraw/zinc/33/09/02/725330902.db2.gz HSIIVCCLVOYDQZ-RYUDHWBXSA-N 1 1 358.316 3.397 20 5 FGBDMO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@H]1C ZINC000813116686 726840865 /nfs/dbraw/zinc/84/08/65/726840865.db2.gz LZEKLVQHILDDEH-ZJUUUORDSA-N 1 1 360.241 3.456 20 5 FGBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@H]1C ZINC000813116686 726840870 /nfs/dbraw/zinc/84/08/70/726840870.db2.gz LZEKLVQHILDDEH-ZJUUUORDSA-N 1 1 360.241 3.456 20 5 FGBDMO Cc1[nH+]ccn1CCCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813420860 726873773 /nfs/dbraw/zinc/87/37/73/726873773.db2.gz PZKKOGPUWXICAF-UHFFFAOYSA-N 1 1 357.197 3.227 20 5 FGBDMO C[N@H+]1CCC[C@]2(CCN(c3cc(Br)ccc3[N+](=O)[O-])C2)C1 ZINC000814909662 727010210 /nfs/dbraw/zinc/01/02/10/727010210.db2.gz MDBZWYDSYNANPU-HNNXBMFYSA-N 1 1 354.248 3.279 20 5 FGBDMO O=C(C[N@@H+]1CC[C@H](c2ccncc2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000821270121 729072347 /nfs/dbraw/zinc/07/23/47/729072347.db2.gz IXWBUQFHPNIXEJ-ZDUSSCGKSA-N 1 1 360.801 3.071 20 5 FGBDMO O=C(C[N@H+]1CC[C@H](c2ccncc2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000821270121 729072349 /nfs/dbraw/zinc/07/23/49/729072349.db2.gz IXWBUQFHPNIXEJ-ZDUSSCGKSA-N 1 1 360.801 3.071 20 5 FGBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000827549917 729431635 /nfs/dbraw/zinc/43/16/35/729431635.db2.gz XZPIDYQTPWUZGD-CQSZACIVSA-N 1 1 374.268 3.245 20 5 FGBDMO COC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000832744451 729729544 /nfs/dbraw/zinc/72/95/44/729729544.db2.gz DPASSDZLSIHDNE-CHWSQXEVSA-N 1 1 369.849 3.324 20 5 FGBDMO COC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000832744451 729729545 /nfs/dbraw/zinc/72/95/45/729729545.db2.gz DPASSDZLSIHDNE-CHWSQXEVSA-N 1 1 369.849 3.324 20 5 FGBDMO C[C@H](C(=O)OCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc([N+](=O)[O-])cc1F ZINC000835599763 729904768 /nfs/dbraw/zinc/90/47/68/729904768.db2.gz HQDUURCVXIYNDR-FUDCBSFHSA-N 1 1 350.390 3.253 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1Cl ZINC000836376646 729953684 /nfs/dbraw/zinc/95/36/84/729953684.db2.gz HNWOZVFFLDPLRE-YPMHNXCESA-N 1 1 353.850 3.407 20 5 FGBDMO CCOc1ccc(C(=O)OC[C@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000842834314 730548485 /nfs/dbraw/zinc/54/84/85/730548485.db2.gz RDCPGOUQJLLHTB-AWEZNQCLSA-N 1 1 350.415 3.271 20 5 FGBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000843775819 730653575 /nfs/dbraw/zinc/65/35/75/730653575.db2.gz HRMWZPVENSQMCH-UHFFFAOYSA-N 1 1 351.422 3.379 20 5 FGBDMO CC(C)C[N@@H+](C)CCCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000845032404 730804156 /nfs/dbraw/zinc/80/41/56/730804156.db2.gz FMNXJSHKSABURO-UHFFFAOYSA-N 1 1 356.854 3.025 20 5 FGBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000846933252 730996361 /nfs/dbraw/zinc/99/63/61/730996361.db2.gz FWXZHJXAMYOQDB-CQSZACIVSA-N 1 1 374.268 3.198 20 5 FGBDMO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000847100276 731021360 /nfs/dbraw/zinc/02/13/60/731021360.db2.gz IKOWTDNOSWJCRL-UONOGXRCSA-N 1 1 352.822 3.387 20 5 FGBDMO CO[C@@H]1CC[C@@H]([N@@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 ZINC000852023129 731534497 /nfs/dbraw/zinc/53/44/97/731534497.db2.gz WKNZKHKVESZDCQ-GHMZBOCLSA-N 1 1 355.232 3.283 20 5 FGBDMO CO[C@@H]1CC[C@@H]([N@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 ZINC000852023129 731534501 /nfs/dbraw/zinc/53/45/01/731534501.db2.gz WKNZKHKVESZDCQ-GHMZBOCLSA-N 1 1 355.232 3.283 20 5 FGBDMO C[C@H](CO)[C@@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1Br ZINC000852427601 731582499 /nfs/dbraw/zinc/58/24/99/731582499.db2.gz NDEHVPULUAKETE-YPMHNXCESA-N 1 1 357.248 3.340 20 5 FGBDMO C[C@H](CO)[C@@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1Br ZINC000852427601 731582502 /nfs/dbraw/zinc/58/25/02/731582502.db2.gz NDEHVPULUAKETE-YPMHNXCESA-N 1 1 357.248 3.340 20 5 FGBDMO C[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)[C@@H]1CCO ZINC000852461295 731586789 /nfs/dbraw/zinc/58/67/89/731586789.db2.gz IEQHLQGIZKTKCW-WCQYABFASA-N 1 1 357.248 3.340 20 5 FGBDMO C[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)[C@@H]1CCO ZINC000852461295 731586791 /nfs/dbraw/zinc/58/67/91/731586791.db2.gz IEQHLQGIZKTKCW-WCQYABFASA-N 1 1 357.248 3.340 20 5 FGBDMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853500650 731714183 /nfs/dbraw/zinc/71/41/83/731714183.db2.gz UPLNAMVNKOJBFF-UONOGXRCSA-N 1 1 361.471 3.417 20 5 FGBDMO C[N@@H+](C[C@@H]1CCc2ccccc21)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000853611254 731731112 /nfs/dbraw/zinc/73/11/12/731731112.db2.gz WVNMDKVGIHIZGZ-LBPRGKRZSA-N 1 1 365.231 3.173 20 5 FGBDMO C[C@@H]1CN(c2cccc(Br)c2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000856761170 732055885 /nfs/dbraw/zinc/05/58/85/732055885.db2.gz VRHZXGIFUKATFV-NSHDSACASA-N 1 1 354.248 3.278 20 5 FGBDMO COC(=O)[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)[C@H]2CCC[C@H]21 ZINC000859952124 732421922 /nfs/dbraw/zinc/42/19/22/732421922.db2.gz SEJHWJVDDQGYTJ-LZWOXQAQSA-N 1 1 352.818 3.412 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)[C@H]2CCC[C@H]21 ZINC000859952124 732421924 /nfs/dbraw/zinc/42/19/24/732421924.db2.gz SEJHWJVDDQGYTJ-LZWOXQAQSA-N 1 1 352.818 3.412 20 5 FGBDMO C[C@@H]([NH2+][C@H](C)c1ccns1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000860055259 732442574 /nfs/dbraw/zinc/44/25/74/732442574.db2.gz UBJMSKARLICXBB-RKDXNWHRSA-N 1 1 354.819 3.383 20 5 FGBDMO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000863033640 732907221 /nfs/dbraw/zinc/90/72/21/732907221.db2.gz WYOBGUCSIDDGBR-ZDUSSCGKSA-N 1 1 369.824 3.063 20 5 FGBDMO CC[N@@H+](C)Cc1cc(O[C@H]2CCN(c3ccsc3[N+](=O)[O-])C2)ccn1 ZINC000865960301 733295900 /nfs/dbraw/zinc/29/59/00/733295900.db2.gz UWSIDVNEBOTOPE-HNNXBMFYSA-N 1 1 362.455 3.161 20 5 FGBDMO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1nccc(C(F)(F)F)n1 ZINC000866374881 733341227 /nfs/dbraw/zinc/34/12/27/733341227.db2.gz HWPMQONUWXCTLW-SECBINFHSA-N 1 1 358.295 3.264 20 5 FGBDMO C[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872025049 735577936 /nfs/dbraw/zinc/57/79/36/735577936.db2.gz GOSOIHVSKRMIST-GFCCVEGCSA-N 1 1 366.414 3.129 20 5 FGBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000875882656 736034547 /nfs/dbraw/zinc/03/45/47/736034547.db2.gz COMDQEDTVKQXNA-GFCCVEGCSA-N 1 1 353.369 3.010 20 5 FGBDMO CCCC[N@H+](Cc1c(C)ccc([N+](=O)[O-])c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000876535848 736110871 /nfs/dbraw/zinc/11/08/71/736110871.db2.gz RDDWLTXJEDYZJS-OAHLLOKOSA-N 1 1 354.472 3.001 20 5 FGBDMO CCCC[N@@H+](Cc1c(C)ccc([N+](=O)[O-])c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000876535848 736110874 /nfs/dbraw/zinc/11/08/74/736110874.db2.gz RDDWLTXJEDYZJS-OAHLLOKOSA-N 1 1 354.472 3.001 20 5 FGBDMO CCO[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878118947 736775303 /nfs/dbraw/zinc/77/53/03/736775303.db2.gz WMRGPAZKRRGDSZ-GFCCVEGCSA-N 1 1 366.805 3.299 20 5 FGBDMO CCO[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878118947 736775304 /nfs/dbraw/zinc/77/53/04/736775304.db2.gz WMRGPAZKRRGDSZ-GFCCVEGCSA-N 1 1 366.805 3.299 20 5 FGBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879561611 737007455 /nfs/dbraw/zinc/00/74/55/737007455.db2.gz RCYMAEJCMRTVEQ-WOPDTQHZSA-N 1 1 369.874 3.260 20 5 FGBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879561611 737007457 /nfs/dbraw/zinc/00/74/57/737007457.db2.gz RCYMAEJCMRTVEQ-WOPDTQHZSA-N 1 1 369.874 3.260 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](c3nccs3)C2)cccc1[N+](=O)[O-] ZINC000880318314 737153648 /nfs/dbraw/zinc/15/36/48/737153648.db2.gz FBALMPKTBNCFGK-QWHCGFSZSA-N 1 1 360.439 3.176 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](c3nccs3)C2)cccc1[N+](=O)[O-] ZINC000880318314 737153655 /nfs/dbraw/zinc/15/36/55/737153655.db2.gz FBALMPKTBNCFGK-QWHCGFSZSA-N 1 1 360.439 3.176 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]CC1(C)CC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000883257201 737542672 /nfs/dbraw/zinc/54/26/72/737542672.db2.gz UXPQQGSVIAKNAQ-AWEZNQCLSA-N 1 1 350.369 3.443 20 5 FGBDMO COc1c(O)ccc(C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c1[N+](=O)[O-] ZINC000895405879 742407443 /nfs/dbraw/zinc/40/74/43/742407443.db2.gz QMERNCHPIISXSY-BBRMVZONSA-N 1 1 350.415 3.090 20 5 FGBDMO CCn1cc(C[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])c(C)n1 ZINC000896007230 742481067 /nfs/dbraw/zinc/48/10/67/742481067.db2.gz PWPFTPLQCLDULD-UHFFFAOYSA-N 1 1 353.220 3.172 20 5 FGBDMO O=[N+]([O-])c1c(NC[C@@H]2CC[N@H+]2C2CCOCC2)cccc1C(F)(F)F ZINC000896526099 742561999 /nfs/dbraw/zinc/56/19/99/742561999.db2.gz SMTITPRRDCAPQR-LBPRGKRZSA-N 1 1 359.348 3.279 20 5 FGBDMO C[C@@H]1C[C@H](NC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC[N@H+]1C ZINC000896667983 742580759 /nfs/dbraw/zinc/58/07/59/742580759.db2.gz PCTPKVRVDCQCMI-HTQZYQBOSA-N 1 1 364.204 3.253 20 5 FGBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000897227060 742656128 /nfs/dbraw/zinc/65/61/28/742656128.db2.gz AKHJQXGCWXPMEN-AWEZNQCLSA-N 1 1 374.268 3.245 20 5 FGBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000897227060 742656132 /nfs/dbraw/zinc/65/61/32/742656132.db2.gz AKHJQXGCWXPMEN-AWEZNQCLSA-N 1 1 374.268 3.245 20 5 FGBDMO CCN(C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)[C@H]1CC[N@@H+](C)C1 ZINC000898588054 742815295 /nfs/dbraw/zinc/81/52/95/742815295.db2.gz VMPVFNBKKVOHAT-QMMMGPOBSA-N 1 1 364.204 3.207 20 5 FGBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000928554106 760211873 /nfs/dbraw/zinc/21/18/73/760211873.db2.gz FNXUQYFZIWKSBT-CYBMUJFWSA-N 1 1 357.435 3.180 20 5 FGBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000928554106 760211880 /nfs/dbraw/zinc/21/18/80/760211880.db2.gz FNXUQYFZIWKSBT-CYBMUJFWSA-N 1 1 357.435 3.180 20 5 FGBDMO O=[N+]([O-])c1ccc(Br)c(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000930071787 760522905 /nfs/dbraw/zinc/52/29/05/760522905.db2.gz LMFGNBTWZRHIOA-NEPJUHHUSA-N 1 1 355.232 3.216 20 5 FGBDMO C[C@@H]([NH2+][C@@H](C)c1cncs1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000934198919 761557982 /nfs/dbraw/zinc/55/79/82/761557982.db2.gz RTLRAQLEKBRZIU-DTWKUNHWSA-N 1 1 354.819 3.383 20 5 FGBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)CCc3c(Cl)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000934890403 761740764 /nfs/dbraw/zinc/74/07/64/761740764.db2.gz MYYVCJWNOPEVNO-CZUORRHYSA-N 1 1 365.861 3.124 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000054225065 221051519 /nfs/dbraw/zinc/05/15/19/221051519.db2.gz NDNVMLGFIFPMKB-HOCLYGCPSA-N 1 1 369.421 3.169 20 5 FGBDMO C[C@H]1CCC[N@@H+](Cc2csc(=NC(=O)c3csc([N+](=O)[O-])c3)[nH]2)C1 ZINC000044401219 257340370 /nfs/dbraw/zinc/34/03/70/257340370.db2.gz MIHCBKZSHKMOOX-JTQLQIEISA-N 1 1 366.468 3.019 20 5 FGBDMO Cc1c(C[NH+]2CCN(c3ncnc4sccc43)CC2)cccc1[N+](=O)[O-] ZINC000122321909 132249058 /nfs/dbraw/zinc/24/90/58/132249058.db2.gz IXMMJGTZIYRHSZ-UHFFFAOYSA-N 1 1 369.450 3.230 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](Cc1ccccc1)C[C@@]1(O)CCO[C@@H]1C ZINC000573590353 505573688 /nfs/dbraw/zinc/57/36/88/505573688.db2.gz MEZUIDWCWOVPMI-UTKZUKDTSA-N 1 1 370.449 3.445 20 5 FGBDMO Cc1cccc(NCCNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)[nH+]1 ZINC000571110213 505655685 /nfs/dbraw/zinc/65/56/85/505655685.db2.gz BBQRKPRUWBKYPO-UHFFFAOYSA-N 1 1 368.315 3.159 20 5 FGBDMO CCOc1ccc(NC(=O)C[NH+]2CCC(C)(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000571212309 505680320 /nfs/dbraw/zinc/68/03/20/505680320.db2.gz UNHNPBCYWYCULP-UHFFFAOYSA-N 1 1 361.442 3.444 20 5 FGBDMO CCN(C[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1)CC(F)(F)F ZINC000081557083 493914399 /nfs/dbraw/zinc/91/43/99/493914399.db2.gz OCDYWWDNKSIHMX-HNNXBMFYSA-N 1 1 359.392 3.343 20 5 FGBDMO CCN(C[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1)CC(F)(F)F ZINC000081557087 493914777 /nfs/dbraw/zinc/91/47/77/493914777.db2.gz OCDYWWDNKSIHMX-OAHLLOKOSA-N 1 1 359.392 3.343 20 5 FGBDMO COc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1[N+](=O)[O-] ZINC000051855297 493990698 /nfs/dbraw/zinc/99/06/98/493990698.db2.gz SGFWUQGJLMAGMX-AWEZNQCLSA-N 1 1 367.409 3.377 20 5 FGBDMO CCc1ccc(C[N@H+](C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000007790859 494042964 /nfs/dbraw/zinc/04/29/64/494042964.db2.gz HNZRDOQMZUVONN-UHFFFAOYSA-N 1 1 357.410 3.236 20 5 FGBDMO CCc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000007790859 494042968 /nfs/dbraw/zinc/04/29/68/494042968.db2.gz HNZRDOQMZUVONN-UHFFFAOYSA-N 1 1 357.410 3.236 20 5 FGBDMO C[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](c2ccccc2)O1 ZINC000070695764 494048540 /nfs/dbraw/zinc/04/85/40/494048540.db2.gz GMTRWKKPUCYKIV-HNAYVOBHSA-N 1 1 369.421 3.385 20 5 FGBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](c2ccccc2)O1 ZINC000070695764 494048543 /nfs/dbraw/zinc/04/85/43/494048543.db2.gz GMTRWKKPUCYKIV-HNAYVOBHSA-N 1 1 369.421 3.385 20 5 FGBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000063710522 494078199 /nfs/dbraw/zinc/07/81/99/494078199.db2.gz WXCVDXUUWULFIM-MRXNPFEDSA-N 1 1 374.485 3.045 20 5 FGBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCc2ccccc2)c([N+](=O)[O-])c1 ZINC000053048089 494087136 /nfs/dbraw/zinc/08/71/36/494087136.db2.gz AWNYTBGXOAHHRG-AWEZNQCLSA-N 1 1 357.410 3.105 20 5 FGBDMO CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccc(OC)cc1 ZINC000053087314 494091311 /nfs/dbraw/zinc/09/13/11/494091311.db2.gz WABIWNQBJBSVCY-UHFFFAOYSA-N 1 1 357.410 3.088 20 5 FGBDMO CC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccc(OC)cc1 ZINC000053087314 494091313 /nfs/dbraw/zinc/09/13/13/494091313.db2.gz WABIWNQBJBSVCY-UHFFFAOYSA-N 1 1 357.410 3.088 20 5 FGBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000008533204 494096667 /nfs/dbraw/zinc/09/66/67/494096667.db2.gz BCGYJPGSPKNBPQ-CQSZACIVSA-N 1 1 357.410 3.371 20 5 FGBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000008533204 494096671 /nfs/dbraw/zinc/09/66/71/494096671.db2.gz BCGYJPGSPKNBPQ-CQSZACIVSA-N 1 1 357.410 3.371 20 5 FGBDMO COc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000010447049 494154040 /nfs/dbraw/zinc/15/40/40/494154040.db2.gz VZYWGKGCOIFNDV-INIZCTEOSA-N 1 1 373.409 3.153 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1ccc(F)cc1 ZINC000041888270 494185690 /nfs/dbraw/zinc/18/56/90/494185690.db2.gz BRCDLEVFWILOAX-UHFFFAOYSA-N 1 1 361.373 3.203 20 5 FGBDMO CC(C)Oc1cccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000072665038 494229321 /nfs/dbraw/zinc/22/93/21/494229321.db2.gz DHVLOJYXCMKTTL-INIZCTEOSA-N 1 1 356.426 3.463 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H](CCO)c1ccccc1 ZINC000072772784 494248233 /nfs/dbraw/zinc/24/82/33/494248233.db2.gz KVANEVDCQTWVHU-IBGZPJMESA-N 1 1 371.437 3.287 20 5 FGBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCc2cccs2)c([N+](=O)[O-])c1 ZINC000072800595 494253273 /nfs/dbraw/zinc/25/32/73/494253273.db2.gz DNABVCCIXANTCB-GFCCVEGCSA-N 1 1 363.439 3.166 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCS[C@H](C(C)C)C1 ZINC000072836618 494262169 /nfs/dbraw/zinc/26/21/69/494262169.db2.gz VDADGJUFKHIABH-INIZCTEOSA-N 1 1 351.472 3.305 20 5 FGBDMO CO[C@]1(C)C[C@@H]([N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1(C)C ZINC000072897964 494277898 /nfs/dbraw/zinc/27/78/98/494277898.db2.gz FECHPWWGQPXLKY-RDTXWAMCSA-N 1 1 360.414 3.280 20 5 FGBDMO CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1(C)C ZINC000072897964 494277906 /nfs/dbraw/zinc/27/79/06/494277906.db2.gz FECHPWWGQPXLKY-RDTXWAMCSA-N 1 1 360.414 3.280 20 5 FGBDMO CO[C@@]1(C)C[C@@H]([N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1(C)C ZINC000072897966 494278638 /nfs/dbraw/zinc/27/86/38/494278638.db2.gz FECHPWWGQPXLKY-KDOFPFPSSA-N 1 1 360.414 3.280 20 5 FGBDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1(C)C ZINC000072897966 494278641 /nfs/dbraw/zinc/27/86/41/494278641.db2.gz FECHPWWGQPXLKY-KDOFPFPSSA-N 1 1 360.414 3.280 20 5 FGBDMO Cc1ccccc1OCC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000015099946 494338710 /nfs/dbraw/zinc/33/87/10/494338710.db2.gz XHOCDOKWBWIOAQ-OAHLLOKOSA-N 1 1 357.410 3.241 20 5 FGBDMO Cc1ccccc1OCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000015099946 494338716 /nfs/dbraw/zinc/33/87/16/494338716.db2.gz XHOCDOKWBWIOAQ-OAHLLOKOSA-N 1 1 357.410 3.241 20 5 FGBDMO COc1ccccc1[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)[NH+]1CCCCC1 ZINC000055752083 494401649 /nfs/dbraw/zinc/40/16/49/494401649.db2.gz DAEKOYGCXRCMMZ-HNNXBMFYSA-N 1 1 373.409 3.153 20 5 FGBDMO C[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000089997132 494422544 /nfs/dbraw/zinc/42/25/44/494422544.db2.gz OCBREURJTMUBDV-SJORKVTESA-N 1 1 359.813 3.423 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000089997132 494422548 /nfs/dbraw/zinc/42/25/48/494422548.db2.gz OCBREURJTMUBDV-SJORKVTESA-N 1 1 359.813 3.423 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000090559342 494482058 /nfs/dbraw/zinc/48/20/58/494482058.db2.gz FGWWBMXCUTZDAB-UHFFFAOYSA-N 1 1 359.813 3.199 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000067143520 494483201 /nfs/dbraw/zinc/48/32/01/494483201.db2.gz WRWFINRYUIBNHR-UHFFFAOYSA-N 1 1 371.412 3.390 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000067143520 494483208 /nfs/dbraw/zinc/48/32/08/494483208.db2.gz WRWFINRYUIBNHR-UHFFFAOYSA-N 1 1 371.412 3.390 20 5 FGBDMO CCc1ccccc1NC(=O)C[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000046056333 494491237 /nfs/dbraw/zinc/49/12/37/494491237.db2.gz FJBFBOFQFFEGFJ-UHFFFAOYSA-N 1 1 357.410 3.107 20 5 FGBDMO CCc1ccccc1NC(=O)C[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000046056333 494491238 /nfs/dbraw/zinc/49/12/38/494491238.db2.gz FJBFBOFQFFEGFJ-UHFFFAOYSA-N 1 1 357.410 3.107 20 5 FGBDMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000056356136 494492911 /nfs/dbraw/zinc/49/29/11/494492911.db2.gz GXPNNADMJVVMQH-UHFFFAOYSA-N 1 1 370.409 3.114 20 5 FGBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000568583755 505727760 /nfs/dbraw/zinc/72/77/60/505727760.db2.gz JPINTDXEBRNRPG-UHFFFAOYSA-N 1 1 361.486 3.451 20 5 FGBDMO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000067536183 494560490 /nfs/dbraw/zinc/56/04/90/494560490.db2.gz XGQISRNQICGQHC-UHFFFAOYSA-N 1 1 368.437 3.012 20 5 FGBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000067703079 494614439 /nfs/dbraw/zinc/61/44/39/494614439.db2.gz BXUMHPZXPRQFGT-INIZCTEOSA-N 1 1 366.421 3.305 20 5 FGBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H](c4nncn4C4CC4)C3)nc2c1 ZINC000091630436 494632218 /nfs/dbraw/zinc/63/22/18/494632218.db2.gz GUPIJRVOXPZOOJ-LBPRGKRZSA-N 1 1 368.397 3.042 20 5 FGBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@H](c4nncn4C4CC4)C3)nc2c1 ZINC000091630436 494632222 /nfs/dbraw/zinc/63/22/22/494632222.db2.gz GUPIJRVOXPZOOJ-LBPRGKRZSA-N 1 1 368.397 3.042 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2csc([N+](=O)[O-])c2)cc1F ZINC000115827270 494633734 /nfs/dbraw/zinc/63/37/34/494633734.db2.gz ULJZHHVRIKFLPB-UHFFFAOYSA-N 1 1 360.370 3.220 20 5 FGBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000047187927 494650414 /nfs/dbraw/zinc/65/04/14/494650414.db2.gz XGCVVXKUYGHWKJ-OAHLLOKOSA-N 1 1 374.485 3.411 20 5 FGBDMO Cc1[nH+]ccn1-c1ncccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000047228256 494658915 /nfs/dbraw/zinc/65/89/15/494658915.db2.gz DGJXSNUJSDLGCW-UHFFFAOYSA-N 1 1 357.757 3.390 20 5 FGBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000108329428 494683706 /nfs/dbraw/zinc/68/37/06/494683706.db2.gz FLZPKSUAYFLZQI-HNNXBMFYSA-N 1 1 368.437 3.410 20 5 FGBDMO Cc1cc(N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000580342977 505736424 /nfs/dbraw/zinc/73/64/24/505736424.db2.gz QGUKIBJZBVGRCJ-JWTNVVGKSA-N 1 1 367.453 3.422 20 5 FGBDMO C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1n1ccnc1 ZINC000091961125 494736344 /nfs/dbraw/zinc/73/63/44/494736344.db2.gz BOXZSXHKIUNZGH-DOMZBBRYSA-N 1 1 366.368 3.476 20 5 FGBDMO C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1n1ccnc1 ZINC000091961125 494736348 /nfs/dbraw/zinc/73/63/48/494736348.db2.gz BOXZSXHKIUNZGH-DOMZBBRYSA-N 1 1 366.368 3.476 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@H](c3nccs3)C2)c([N+](=O)[O-])cc1OC ZINC000092788700 494748674 /nfs/dbraw/zinc/74/86/74/494748674.db2.gz TXRZEVCDNYEPPE-LBPRGKRZSA-N 1 1 363.439 3.448 20 5 FGBDMO Cc1ccccc1[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000126456821 494758435 /nfs/dbraw/zinc/75/84/35/494758435.db2.gz QVZKVOZQUNGLMK-IBGZPJMESA-N 1 1 369.421 3.305 20 5 FGBDMO Cc1ccccc1[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000126456821 494758441 /nfs/dbraw/zinc/75/84/41/494758441.db2.gz QVZKVOZQUNGLMK-IBGZPJMESA-N 1 1 369.421 3.305 20 5 FGBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCc2ccccc2C1 ZINC000025633630 494763893 /nfs/dbraw/zinc/76/38/93/494763893.db2.gz ZHMXOJQVQAZUOX-CYBMUJFWSA-N 1 1 373.840 3.425 20 5 FGBDMO C[C@@H]1C[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)C[N@H+]1Cc1ccccc1 ZINC000132043997 494805550 /nfs/dbraw/zinc/80/55/50/494805550.db2.gz IHCLQMHGGQXTLK-APWZRJJASA-N 1 1 367.449 3.164 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@H+](C)[C@H](CC)c2ccncc2)c([N+](=O)[O-])c1 ZINC000092223981 494814991 /nfs/dbraw/zinc/81/49/91/494814991.db2.gz CNQGYFZYCVIJTA-QGZVFWFLSA-N 1 1 372.425 3.410 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@@H+](C)[C@H](CC)c2ccncc2)c([N+](=O)[O-])c1 ZINC000092223981 494814994 /nfs/dbraw/zinc/81/49/94/494814994.db2.gz CNQGYFZYCVIJTA-QGZVFWFLSA-N 1 1 372.425 3.410 20 5 FGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)CCc1ccncc1 ZINC000121598560 494816284 /nfs/dbraw/zinc/81/62/84/494816284.db2.gz TXBDPBOMBDFKSR-ZDUSSCGKSA-N 1 1 353.382 3.275 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCc2sccc2C1 ZINC000026343751 494820364 /nfs/dbraw/zinc/82/03/64/494820364.db2.gz IWZYUNIVGPBZMP-UHFFFAOYSA-N 1 1 361.423 3.052 20 5 FGBDMO CCC[N@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000093132409 494830346 /nfs/dbraw/zinc/83/03/46/494830346.db2.gz OOIUFCDNTXZBLL-HNNXBMFYSA-N 1 1 352.431 3.393 20 5 FGBDMO Cc1cc(C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)cc([N+](=O)[O-])c1 ZINC000116669720 494835970 /nfs/dbraw/zinc/83/59/70/494835970.db2.gz GHWCQPMBQOQBAZ-UHFFFAOYSA-N 1 1 354.410 3.005 20 5 FGBDMO CCC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccccc1 ZINC000027348938 494864156 /nfs/dbraw/zinc/86/41/56/494864156.db2.gz RNEGTOSZPHXQOG-UHFFFAOYSA-N 1 1 353.422 3.396 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCC(c3nc[nH]n3)CC2)o1 ZINC000093646176 494906359 /nfs/dbraw/zinc/90/63/59/494906359.db2.gz TWKQMVMRCBJGPM-UHFFFAOYSA-N 1 1 353.382 3.353 20 5 FGBDMO C[N@@H+](CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC000117627444 494939055 /nfs/dbraw/zinc/93/90/55/494939055.db2.gz RYTOCRROHVXHPW-UHFFFAOYSA-N 1 1 361.829 3.039 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000122550071 494992474 /nfs/dbraw/zinc/99/24/74/494992474.db2.gz ULFVQOJSSLZZMF-IYBDPMFKSA-N 1 1 374.485 3.031 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000110874423 495015978 /nfs/dbraw/zinc/01/59/78/495015978.db2.gz NMJLKWBIWQTFMH-INIZCTEOSA-N 1 1 354.410 3.028 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000110874423 495015982 /nfs/dbraw/zinc/01/59/82/495015982.db2.gz NMJLKWBIWQTFMH-INIZCTEOSA-N 1 1 354.410 3.028 20 5 FGBDMO C[C@@H](CNC(=O)CSc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000110965954 495025701 /nfs/dbraw/zinc/02/57/01/495025701.db2.gz FYXYZANCAJHJEY-HNNXBMFYSA-N 1 1 373.478 3.324 20 5 FGBDMO Cc1nn(C)c(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)c1[N+](=O)[O-] ZINC000098099053 495054208 /nfs/dbraw/zinc/05/42/08/495054208.db2.gz BNEFLFKPGHOUKV-ZDUSSCGKSA-N 1 1 371.441 3.263 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000123006657 495066023 /nfs/dbraw/zinc/06/60/23/495066023.db2.gz AXSAUJIKNYNGGS-CXAGYDPISA-N 1 1 374.441 3.084 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)nc1 ZINC000133817327 495066173 /nfs/dbraw/zinc/06/61/73/495066173.db2.gz AMDZZXPQNLJHQR-MJGOQNOKSA-N 1 1 352.438 3.481 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000123345328 495117722 /nfs/dbraw/zinc/11/77/22/495117722.db2.gz VCQUKWKDSKXPOE-INIZCTEOSA-N 1 1 369.421 3.422 20 5 FGBDMO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000134246698 495126486 /nfs/dbraw/zinc/12/64/86/495126486.db2.gz QKNMETOSFXGYCW-YJYMSZOUSA-N 1 1 370.405 3.285 20 5 FGBDMO C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000134246698 495126489 /nfs/dbraw/zinc/12/64/89/495126489.db2.gz QKNMETOSFXGYCW-YJYMSZOUSA-N 1 1 370.405 3.285 20 5 FGBDMO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1c1ncccc1[N+](=O)[O-] ZINC000119419647 495163368 /nfs/dbraw/zinc/16/33/68/495163368.db2.gz ZMMQRXRJJCHOKA-HNAYVOBHSA-N 1 1 369.469 3.430 20 5 FGBDMO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1c1ncccc1[N+](=O)[O-] ZINC000119419647 495163371 /nfs/dbraw/zinc/16/33/71/495163371.db2.gz ZMMQRXRJJCHOKA-HNAYVOBHSA-N 1 1 369.469 3.430 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000134880546 495214844 /nfs/dbraw/zinc/21/48/44/495214844.db2.gz PWFYVVNXCWTZJI-NVXWUHKLSA-N 1 1 353.422 3.296 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000568747393 505768859 /nfs/dbraw/zinc/76/88/59/505768859.db2.gz KBZORZWSIBYTGH-MAUKXSAKSA-N 1 1 357.454 3.301 20 5 FGBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000103613415 495249483 /nfs/dbraw/zinc/24/94/83/495249483.db2.gz HAWZOSXCBUQXSV-OAHLLOKOSA-N 1 1 373.457 3.356 20 5 FGBDMO CCC(=O)N1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000124257447 495258703 /nfs/dbraw/zinc/25/87/03/495258703.db2.gz IQJRLCBJSTXNND-UHFFFAOYSA-N 1 1 357.410 3.299 20 5 FGBDMO O=C(CC[N@H+]1CC[C@H](Cc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000124323764 495269615 /nfs/dbraw/zinc/26/96/15/495269615.db2.gz XGYFCXIFXZLKOC-QGZVFWFLSA-N 1 1 353.422 3.488 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000574435025 505772762 /nfs/dbraw/zinc/77/27/62/505772762.db2.gz HNSPWGMQPHVYFQ-SFHVURJKSA-N 1 1 353.422 3.240 20 5 FGBDMO NC(=O)c1ccc(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000113313313 495295226 /nfs/dbraw/zinc/29/52/26/495295226.db2.gz OADGLKXDUKHJFZ-UHFFFAOYSA-N 1 1 368.418 3.107 20 5 FGBDMO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000124855857 495354645 /nfs/dbraw/zinc/35/46/45/495354645.db2.gz AUSUIGALAGEOSB-HNNXBMFYSA-N 1 1 354.410 3.333 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000124855857 495354646 /nfs/dbraw/zinc/35/46/46/495354646.db2.gz AUSUIGALAGEOSB-HNNXBMFYSA-N 1 1 354.410 3.333 20 5 FGBDMO CC(C)[C@H](CNc1ccc(Br)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000105590358 495374603 /nfs/dbraw/zinc/37/46/03/495374603.db2.gz YNCPDFHXEMKXKO-HNNXBMFYSA-N 1 1 372.263 3.126 20 5 FGBDMO CC[C@H](O)[C@H]1CCCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000114459803 495376912 /nfs/dbraw/zinc/37/69/12/495376912.db2.gz LGHZZTBLFCEMCK-SJORKVTESA-N 1 1 359.426 3.418 20 5 FGBDMO CN(C(=O)C[N@@H+](C)[C@H]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000114489703 495384564 /nfs/dbraw/zinc/38/45/64/495384564.db2.gz NQQMHYKKDHWIIF-IBGZPJMESA-N 1 1 353.422 3.047 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000114495772 495385965 /nfs/dbraw/zinc/38/59/65/495385965.db2.gz NRASHQOSMMSWEC-IBGZPJMESA-N 1 1 359.426 3.364 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000114495772 495385966 /nfs/dbraw/zinc/38/59/66/495385966.db2.gz NRASHQOSMMSWEC-IBGZPJMESA-N 1 1 359.426 3.364 20 5 FGBDMO Cc1cc(C[C@H](C)[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)n[nH]1 ZINC000136751228 495399882 /nfs/dbraw/zinc/39/98/82/495399882.db2.gz RXPPPSHJCLMGBV-NSHDSACASA-N 1 1 357.439 3.471 20 5 FGBDMO O=[N+]([O-])c1ccn(CC[N@@H+](Cc2csc(Br)c2)C2CC2)n1 ZINC000125235841 495411057 /nfs/dbraw/zinc/41/10/57/495411057.db2.gz MFPDNKTVPVYHHJ-UHFFFAOYSA-N 1 1 371.260 3.280 20 5 FGBDMO O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000125281118 495419312 /nfs/dbraw/zinc/41/93/12/495419312.db2.gz BRBQCQDEFQPWTB-UHFFFAOYSA-N 1 1 371.412 3.011 20 5 FGBDMO Cc1cccc(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000137457798 495442054 /nfs/dbraw/zinc/44/20/54/495442054.db2.gz NFNRJRRCZVGPHM-DOTOQJQBSA-N 1 1 353.422 3.296 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@H](C)Cc1ccc(O)cc1 ZINC000138377438 495460307 /nfs/dbraw/zinc/46/03/07/495460307.db2.gz AACGGWNWTBENHD-CQSZACIVSA-N 1 1 357.410 3.110 20 5 FGBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000140179417 495490268 /nfs/dbraw/zinc/49/02/68/495490268.db2.gz HKLJRZYQVPZTDT-CQSZACIVSA-N 1 1 359.451 3.298 20 5 FGBDMO Cc1nc(C)c([C@H](C)[N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000106878964 495506268 /nfs/dbraw/zinc/50/62/68/495506268.db2.gz AVADKVRZHKKTTO-WFASDCNBSA-N 1 1 365.455 3.101 20 5 FGBDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000154178341 495535523 /nfs/dbraw/zinc/53/55/23/495535523.db2.gz ZAPUFDQCMLDJHF-OAHLLOKOSA-N 1 1 371.412 3.009 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000154178341 495535528 /nfs/dbraw/zinc/53/55/28/495535528.db2.gz ZAPUFDQCMLDJHF-OAHLLOKOSA-N 1 1 371.412 3.009 20 5 FGBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000185374353 495553291 /nfs/dbraw/zinc/55/32/91/495553291.db2.gz DKQAVRDPSBPBQH-UONOGXRCSA-N 1 1 351.422 3.028 20 5 FGBDMO Cc1cc(C)n2c(C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C3CC3)cnc2n1 ZINC000154261615 495560022 /nfs/dbraw/zinc/56/00/22/495560022.db2.gz LIMGMXBKVSOICV-UHFFFAOYSA-N 1 1 351.410 3.419 20 5 FGBDMO Cc1cc(C)n2c(C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C3CC3)cnc2n1 ZINC000154261615 495560027 /nfs/dbraw/zinc/56/00/27/495560027.db2.gz LIMGMXBKVSOICV-UHFFFAOYSA-N 1 1 351.410 3.419 20 5 FGBDMO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1Cc1ccccc1 ZINC000173524910 495573685 /nfs/dbraw/zinc/57/36/85/495573685.db2.gz PESLYPHQAMWHMZ-HNNXBMFYSA-N 1 1 371.412 3.471 20 5 FGBDMO Cc1cc(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000148319931 495584233 /nfs/dbraw/zinc/58/42/33/495584233.db2.gz VHYDYFPOIXJAGP-YJBOKZPZSA-N 1 1 353.422 3.469 20 5 FGBDMO C[C@H](CCNC(=O)COc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccccc1 ZINC000173602850 495608357 /nfs/dbraw/zinc/60/83/57/495608357.db2.gz ZHFOCYKKBSCHTG-MRXNPFEDSA-N 1 1 371.437 3.000 20 5 FGBDMO C[C@@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1F)[N@@H+](C)Cc1ccccc1 ZINC000173607971 495612430 /nfs/dbraw/zinc/61/24/30/495612430.db2.gz WILSODDWICELCJ-AWEZNQCLSA-N 1 1 359.401 3.374 20 5 FGBDMO CC[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000179511644 495622096 /nfs/dbraw/zinc/62/20/96/495622096.db2.gz LFPNBJNGCRBTSU-GOSISDBHSA-N 1 1 358.442 3.171 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173635575 495626013 /nfs/dbraw/zinc/62/60/13/495626013.db2.gz RKLIDUZMPCEJNZ-INIZCTEOSA-N 1 1 362.474 3.038 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CC[C@@H]1CCCC[N@H+]1C ZINC000173635575 495626017 /nfs/dbraw/zinc/62/60/17/495626017.db2.gz RKLIDUZMPCEJNZ-INIZCTEOSA-N 1 1 362.474 3.038 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@H](OCCO)C2)s1 ZINC000179574947 495647488 /nfs/dbraw/zinc/64/74/88/495647488.db2.gz TZMJCVXOAITHRB-AWEZNQCLSA-N 1 1 362.451 3.297 20 5 FGBDMO COc1cccc2c1CC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C2 ZINC000182707885 495671085 /nfs/dbraw/zinc/67/10/85/495671085.db2.gz GKZIOPQSIYSGFZ-UHFFFAOYSA-N 1 1 369.421 3.299 20 5 FGBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159215949 495685159 /nfs/dbraw/zinc/68/51/59/495685159.db2.gz HAAHGBZJCLOWKI-HXUWFJFHSA-N 1 1 354.406 3.148 20 5 FGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159215949 495685163 /nfs/dbraw/zinc/68/51/63/495685163.db2.gz HAAHGBZJCLOWKI-HXUWFJFHSA-N 1 1 354.406 3.148 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185712578 495693490 /nfs/dbraw/zinc/69/34/90/495693490.db2.gz GIBKEUCVJZWGMO-JKSUJKDBSA-N 1 1 374.485 3.084 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCS[C@H](C(C)C)C1 ZINC000173858449 495722087 /nfs/dbraw/zinc/72/20/87/495722087.db2.gz FCDRBHDUXRYDCZ-INIZCTEOSA-N 1 1 351.472 3.305 20 5 FGBDMO C[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182907219 495751032 /nfs/dbraw/zinc/75/10/32/495751032.db2.gz RRTBECHWAYYEKU-KGLIPLIRSA-N 1 1 370.453 3.459 20 5 FGBDMO CCSCC[C@H](C)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000174035153 495797221 /nfs/dbraw/zinc/79/72/21/495797221.db2.gz XXKNTCUEPMDUIL-LBPRGKRZSA-N 1 1 355.460 3.005 20 5 FGBDMO CN(c1ccccc1)c1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000155003763 495800191 /nfs/dbraw/zinc/80/01/91/495800191.db2.gz HDXQCUWYJTWARL-INIZCTEOSA-N 1 1 368.437 3.060 20 5 FGBDMO CCCCCNC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174241294 495878391 /nfs/dbraw/zinc/87/83/91/495878391.db2.gz XIEVVDSGUKOFFH-OAHLLOKOSA-N 1 1 363.458 3.133 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]C[C@]1(C)CCO[C@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000577878144 505810172 /nfs/dbraw/zinc/81/01/72/505810172.db2.gz OAVVTBXIRJUSDB-HBFSDRIKSA-N 1 1 370.453 3.213 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000180170663 495890283 /nfs/dbraw/zinc/89/02/83/495890283.db2.gz SKRUJTYJQSZPJH-RDJZCZTQSA-N 1 1 359.813 3.423 20 5 FGBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000183392008 495960528 /nfs/dbraw/zinc/96/05/28/495960528.db2.gz RRFHXLVVCJIJEI-FYWRMAATSA-N 1 1 368.437 3.213 20 5 FGBDMO COc1cc(C[NH2+][C@H](C)c2cnn(C)c2C)c([N+](=O)[O-])cc1OC(F)F ZINC000183451039 495989297 /nfs/dbraw/zinc/98/92/97/495989297.db2.gz SKOVSHPNYFLIRO-SECBINFHSA-N 1 1 370.356 3.098 20 5 FGBDMO Cc1c(Br)c(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)ncc1[N+](=O)[O-] ZINC000577918322 505817230 /nfs/dbraw/zinc/81/72/30/505817230.db2.gz OWHWGQSZVVRKRW-WPRPVWTQSA-N 1 1 355.236 3.098 20 5 FGBDMO Cc1c(Br)c(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)ncc1[N+](=O)[O-] ZINC000577918322 505817234 /nfs/dbraw/zinc/81/72/34/505817234.db2.gz OWHWGQSZVVRKRW-WPRPVWTQSA-N 1 1 355.236 3.098 20 5 FGBDMO Cc1c(Br)c(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ncc1[N+](=O)[O-] ZINC000577918319 505817315 /nfs/dbraw/zinc/81/73/15/505817315.db2.gz OWHWGQSZVVRKRW-PSASIEDQSA-N 1 1 355.236 3.098 20 5 FGBDMO Cc1c(Br)c(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)ncc1[N+](=O)[O-] ZINC000577918319 505817320 /nfs/dbraw/zinc/81/73/20/505817320.db2.gz OWHWGQSZVVRKRW-PSASIEDQSA-N 1 1 355.236 3.098 20 5 FGBDMO Cc1cccc(N2CCC(NC(=O)CCc3cccc([N+](=O)[O-])c3)CC2)[nH+]1 ZINC000151966995 496007759 /nfs/dbraw/zinc/00/77/59/496007759.db2.gz RRDNZVYCBPNMAW-UHFFFAOYSA-N 1 1 368.437 3.016 20 5 FGBDMO Cc1csc([C@@H]([NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C2CC2)n1 ZINC000183546606 496025920 /nfs/dbraw/zinc/02/59/20/496025920.db2.gz GOVHUWZDGNGATG-CVEARBPZSA-N 1 1 372.450 3.206 20 5 FGBDMO C[C@@H](c1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1)[NH+]1CCOCC1 ZINC000171808523 496043551 /nfs/dbraw/zinc/04/35/51/496043551.db2.gz ZOQBMQDLHQMNFL-LBPRGKRZSA-N 1 1 361.423 3.302 20 5 FGBDMO C[C@@H]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000183646481 496060314 /nfs/dbraw/zinc/06/03/14/496060314.db2.gz VXZONXLXCWREBP-OAHLLOKOSA-N 1 1 369.425 3.118 20 5 FGBDMO COc1ccc(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)cc1[N+](=O)[O-] ZINC000186590713 496060696 /nfs/dbraw/zinc/06/06/96/496060696.db2.gz IHKIROXFGIDHLQ-UHFFFAOYSA-N 1 1 374.412 3.312 20 5 FGBDMO CCC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)c1cc2ccccc2o1 ZINC000174748830 496088497 /nfs/dbraw/zinc/08/84/97/496088497.db2.gz YBAJBUJNXNRAJV-YOEHRIQHSA-N 1 1 372.425 3.372 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000161054783 496094671 /nfs/dbraw/zinc/09/46/71/496094671.db2.gz XUUXKKBLJMRVKI-CQSZACIVSA-N 1 1 363.439 3.333 20 5 FGBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000180721457 496119241 /nfs/dbraw/zinc/11/92/41/496119241.db2.gz HBIUABUEVIACIS-AWEZNQCLSA-N 1 1 351.472 3.309 20 5 FGBDMO Cc1cc(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000174955760 496181291 /nfs/dbraw/zinc/18/12/91/496181291.db2.gz MKONVFADQXSCFV-GOSISDBHSA-N 1 1 367.449 3.497 20 5 FGBDMO CCc1cnc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)s1 ZINC000177778074 496191114 /nfs/dbraw/zinc/19/11/14/496191114.db2.gz HJOIMZBPJNWHEQ-UHFFFAOYSA-N 1 1 362.455 3.383 20 5 FGBDMO CCc1cnc(C[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)s1 ZINC000177778074 496191121 /nfs/dbraw/zinc/19/11/21/496191121.db2.gz HJOIMZBPJNWHEQ-UHFFFAOYSA-N 1 1 362.455 3.383 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C[C@@H](C)c1nccs1 ZINC000184014979 496201728 /nfs/dbraw/zinc/20/17/28/496201728.db2.gz XUHQIHGPNXIERF-CYBMUJFWSA-N 1 1 362.455 3.424 20 5 FGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)n1 ZINC000152697773 496229685 /nfs/dbraw/zinc/22/96/85/496229685.db2.gz VMGYCNAEOGTQMY-CYBMUJFWSA-N 1 1 361.471 3.006 20 5 FGBDMO Cc1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000156388042 496231885 /nfs/dbraw/zinc/23/18/85/496231885.db2.gz KCFAERHSEYDLHQ-WMLDXEAASA-N 1 1 358.442 3.384 20 5 FGBDMO Cc1c(NC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)cccc1[N+](=O)[O-] ZINC000156550738 496276016 /nfs/dbraw/zinc/27/60/16/496276016.db2.gz YIJRXFMDBZDJHD-UHFFFAOYSA-N 1 1 357.414 3.123 20 5 FGBDMO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162536444 496369113 /nfs/dbraw/zinc/36/91/13/496369113.db2.gz OTJSSLGYHJRLEW-RISCZKNCSA-N 1 1 357.248 3.483 20 5 FGBDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162536444 496369118 /nfs/dbraw/zinc/36/91/18/496369118.db2.gz OTJSSLGYHJRLEW-RISCZKNCSA-N 1 1 357.248 3.483 20 5 FGBDMO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000175413914 496380443 /nfs/dbraw/zinc/38/04/43/496380443.db2.gz FAQQFVJWVWCSHL-DLUDVSRJSA-N 1 1 362.451 3.404 20 5 FGBDMO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC1(O)CCCCCC1 ZINC000187358018 496408038 /nfs/dbraw/zinc/40/80/38/496408038.db2.gz AUVKDOREMSTSSQ-UHFFFAOYSA-N 1 1 360.414 3.162 20 5 FGBDMO COc1cc(C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OC(F)F ZINC000181483421 496414892 /nfs/dbraw/zinc/41/48/92/496414892.db2.gz HYHUULCWZNQWJU-FZMZJTMJSA-N 1 1 374.384 3.188 20 5 FGBDMO Cc1sc(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000181661945 496491855 /nfs/dbraw/zinc/49/18/55/496491855.db2.gz GDAWRYMDVWDSBD-YPMHNXCESA-N 1 1 351.472 3.348 20 5 FGBDMO Cc1c(-c2cc(C[NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)on2)cnn1C ZINC000184733651 496511984 /nfs/dbraw/zinc/51/19/84/496511984.db2.gz UPJGRUDKKUYFSJ-GFCCVEGCSA-N 1 1 355.398 3.451 20 5 FGBDMO Cc1cnc(CC[N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)s1 ZINC000157739006 496541669 /nfs/dbraw/zinc/54/16/69/496541669.db2.gz XIVJCTUDYDBUEM-UHFFFAOYSA-N 1 1 359.411 3.084 20 5 FGBDMO Cc1cnc(CC[N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)s1 ZINC000157739006 496541675 /nfs/dbraw/zinc/54/16/75/496541675.db2.gz XIVJCTUDYDBUEM-UHFFFAOYSA-N 1 1 359.411 3.084 20 5 FGBDMO Cc1ccc(N2CCC(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)[nH+]c1 ZINC000157744160 496542844 /nfs/dbraw/zinc/54/28/44/496542844.db2.gz COOZDROKPVOYGF-UHFFFAOYSA-N 1 1 354.410 3.005 20 5 FGBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000181785753 496544118 /nfs/dbraw/zinc/54/41/18/496544118.db2.gz VPDSCROUINEGHI-NSHDSACASA-N 1 1 374.363 3.419 20 5 FGBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2cccs2)c1 ZINC000175864589 496577957 /nfs/dbraw/zinc/57/79/57/496577957.db2.gz RECUPCAQZXMANR-GDBMZVCRSA-N 1 1 364.471 3.221 20 5 FGBDMO O=[N+]([O-])c1cnn(CC[N@@H+](CCc2ccccn2)Cc2ccc(F)cc2)c1 ZINC000157929798 496588212 /nfs/dbraw/zinc/58/82/12/496588212.db2.gz WNGJQOAEJQJIHY-UHFFFAOYSA-N 1 1 369.400 3.070 20 5 FGBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccc(OC)cc1 ZINC000173225183 496600941 /nfs/dbraw/zinc/60/09/41/496600941.db2.gz SZAUEFUGTGHDRW-UHFFFAOYSA-N 1 1 357.410 3.372 20 5 FGBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccc(OC)cc1 ZINC000173225183 496600945 /nfs/dbraw/zinc/60/09/45/496600945.db2.gz SZAUEFUGTGHDRW-UHFFFAOYSA-N 1 1 357.410 3.372 20 5 FGBDMO CC[N@H+](Cc1ccc2c(c1)OCO2)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000164306370 496603172 /nfs/dbraw/zinc/60/31/72/496603172.db2.gz RYVIJXCUINWTOZ-CYBMUJFWSA-N 1 1 371.393 3.173 20 5 FGBDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000164306370 496603175 /nfs/dbraw/zinc/60/31/75/496603175.db2.gz RYVIJXCUINWTOZ-CYBMUJFWSA-N 1 1 371.393 3.173 20 5 FGBDMO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000154094486 496682434 /nfs/dbraw/zinc/68/24/34/496682434.db2.gz SICVURBJMWYOSX-YVEFUNNKSA-N 1 1 363.845 3.337 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)C1CC1 ZINC000185316529 496728319 /nfs/dbraw/zinc/72/83/19/496728319.db2.gz AEJLNYKMPRRBLH-HNNXBMFYSA-N 1 1 359.451 3.297 20 5 FGBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000273204120 496739039 /nfs/dbraw/zinc/73/90/39/496739039.db2.gz LPGBLSRVYRASKV-GFCCVEGCSA-N 1 1 371.890 3.141 20 5 FGBDMO C[C@@H](c1ccccc1)[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC1CCC1 ZINC000247465890 496864337 /nfs/dbraw/zinc/86/43/37/496864337.db2.gz IUZFDIDRACLBJA-HNAYVOBHSA-N 1 1 358.442 3.016 20 5 FGBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277730470 496868746 /nfs/dbraw/zinc/86/87/46/496868746.db2.gz BHPHQBMOPPYTIP-OALUTQOASA-N 1 1 361.445 3.450 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(SC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000247502182 496874182 /nfs/dbraw/zinc/87/41/82/496874182.db2.gz VASYOZRNINRCFG-GXTWGEPZSA-N 1 1 351.472 3.119 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(OC2CCCC2)CC1 ZINC000195318415 496887514 /nfs/dbraw/zinc/88/75/14/496887514.db2.gz GSXMKVAPNHRTQP-AWEZNQCLSA-N 1 1 361.442 3.345 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC([C@H]4CCCO4)CC3)o2)cc1 ZINC000189152626 497026361 /nfs/dbraw/zinc/02/63/61/497026361.db2.gz ILIVHBINWXXMHB-MRXNPFEDSA-N 1 1 358.398 3.036 20 5 FGBDMO COc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-])CCO2 ZINC000274279468 497059156 /nfs/dbraw/zinc/05/91/56/497059156.db2.gz UWRFTXFXCIEFMX-HNNXBMFYSA-N 1 1 374.393 3.234 20 5 FGBDMO Cc1cc(C(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)cc([N+](=O)[O-])c1 ZINC000278298554 497065965 /nfs/dbraw/zinc/06/59/65/497065965.db2.gz JUNDLHZIMBZGPI-UHFFFAOYSA-N 1 1 355.394 3.290 20 5 FGBDMO COC1CCC([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000265219819 497074350 /nfs/dbraw/zinc/07/43/50/497074350.db2.gz OGNWIBBFNUDREA-UHFFFAOYSA-N 1 1 355.822 3.076 20 5 FGBDMO CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000192529392 497141513 /nfs/dbraw/zinc/14/15/13/497141513.db2.gz QAOAIOYOTOHIPO-UHFFFAOYSA-N 1 1 358.377 3.365 20 5 FGBDMO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000265712746 497166089 /nfs/dbraw/zinc/16/60/89/497166089.db2.gz HOIPFGFJGOJGDR-UHFFFAOYSA-N 1 1 356.426 3.167 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(SC)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000249138695 497173063 /nfs/dbraw/zinc/17/30/63/497173063.db2.gz PGMQVYLXLYGCOE-GXTWGEPZSA-N 1 1 351.472 3.119 20 5 FGBDMO CC[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H](C)Cc1ccsc1 ZINC000249562357 497221750 /nfs/dbraw/zinc/22/17/50/497221750.db2.gz LYFMYFNWULPCOO-GDBMZVCRSA-N 1 1 364.467 3.349 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@H]2c2cccc(F)c2)c1 ZINC000249725304 497237099 /nfs/dbraw/zinc/23/70/99/497237099.db2.gz PLAIMRIORFYNDY-MJGOQNOKSA-N 1 1 360.385 3.311 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC3(C2)CCOCC3)ccc1Br ZINC000271198397 497288096 /nfs/dbraw/zinc/28/80/96/497288096.db2.gz IFGDPZXRPWPEKR-UHFFFAOYSA-N 1 1 355.232 3.360 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC3(C2)CCOCC3)ccc1Br ZINC000271198397 497288097 /nfs/dbraw/zinc/28/80/97/497288097.db2.gz IFGDPZXRPWPEKR-UHFFFAOYSA-N 1 1 355.232 3.360 20 5 FGBDMO CCOCCC[N@H+]1CC[C@H](NCc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000189995735 497319159 /nfs/dbraw/zinc/31/91/59/497319159.db2.gz ZHBUADPLTLZGNM-PBHICJAKSA-N 1 1 369.893 3.475 20 5 FGBDMO C[N@H+](Cc1cccc(Cl)c1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193331466 497352246 /nfs/dbraw/zinc/35/22/46/497352246.db2.gz TYNFBVNQSITKNP-OAHLLOKOSA-N 1 1 350.802 3.120 20 5 FGBDMO O=C(c1ccccc1)N1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255672467 497372665 /nfs/dbraw/zinc/37/26/65/497372665.db2.gz CVSDOIPNYJZMNX-WDZFZDKYSA-N 1 1 365.433 3.456 20 5 FGBDMO O=C(c1ccccc1)N1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255672467 497372670 /nfs/dbraw/zinc/37/26/70/497372670.db2.gz CVSDOIPNYJZMNX-WDZFZDKYSA-N 1 1 365.433 3.456 20 5 FGBDMO Cc1ccsc1CNC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000193508400 497398833 /nfs/dbraw/zinc/39/88/33/497398833.db2.gz YBUBDYVBQPFGEU-UHFFFAOYSA-N 1 1 361.467 3.492 20 5 FGBDMO Cc1ccsc1CNC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000193508400 497398835 /nfs/dbraw/zinc/39/88/35/497398835.db2.gz YBUBDYVBQPFGEU-UHFFFAOYSA-N 1 1 361.467 3.492 20 5 FGBDMO CC[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](C)c1cccc(O)c1 ZINC000245433790 497403351 /nfs/dbraw/zinc/40/33/51/497403351.db2.gz PJTTZDGNNIPNTF-RDTXWAMCSA-N 1 1 360.410 3.123 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000245514348 497436549 /nfs/dbraw/zinc/43/65/49/497436549.db2.gz BSOWBSHKLIGASN-IEBWSBKVSA-N 1 1 360.502 3.066 20 5 FGBDMO CC1CCN(C(=O)C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000267000408 497465869 /nfs/dbraw/zinc/46/58/69/497465869.db2.gz CUMDDAZYXGQDPV-UHFFFAOYSA-N 1 1 363.433 3.204 20 5 FGBDMO Cc1sc(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000262073370 497503845 /nfs/dbraw/zinc/50/38/45/497503845.db2.gz WYTSDVPLXUPMJO-AWEZNQCLSA-N 1 1 365.842 3.405 20 5 FGBDMO C[N@@H+]1CC[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000245747826 497527306 /nfs/dbraw/zinc/52/73/06/497527306.db2.gz ANDIGGLQTLLDOC-QFBILLFUSA-N 1 1 373.840 3.352 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000245747826 497527308 /nfs/dbraw/zinc/52/73/08/497527308.db2.gz ANDIGGLQTLLDOC-QFBILLFUSA-N 1 1 373.840 3.352 20 5 FGBDMO Cc1occc1C(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000276310870 497542200 /nfs/dbraw/zinc/54/22/00/497542200.db2.gz MFLQVCASVHNFDH-UHFFFAOYSA-N 1 1 361.373 3.030 20 5 FGBDMO C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272281492 497584961 /nfs/dbraw/zinc/58/49/61/497584961.db2.gz INBLLCOVDXCVTF-DZGCQCFKSA-N 1 1 359.451 3.297 20 5 FGBDMO CC[C@H](NC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000246039217 497602133 /nfs/dbraw/zinc/60/21/33/497602133.db2.gz WYIBXDHQKNWMBK-RYQLBKOJSA-N 1 1 360.458 3.172 20 5 FGBDMO CC[N@H+](Cc1ccncc1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000267865611 497631590 /nfs/dbraw/zinc/63/15/90/497631590.db2.gz BRLYCHRWXAJKLI-GFCCVEGCSA-N 1 1 362.817 3.492 20 5 FGBDMO CC[N@@H+](Cc1ccncc1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000267865611 497631595 /nfs/dbraw/zinc/63/15/95/497631595.db2.gz BRLYCHRWXAJKLI-GFCCVEGCSA-N 1 1 362.817 3.492 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]CCCOc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000272534933 497653723 /nfs/dbraw/zinc/65/37/23/497653723.db2.gz NVQKWBIQCIVZKB-LJQANCHMSA-N 1 1 366.421 3.476 20 5 FGBDMO CCC(CC)(CCO)C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272552807 497660176 /nfs/dbraw/zinc/66/01/76/497660176.db2.gz RPMUEXXPZWHHPN-QGZVFWFLSA-N 1 1 360.458 3.196 20 5 FGBDMO C[NH+](C)[C@H]1CCCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000277098863 497741226 /nfs/dbraw/zinc/74/12/26/497741226.db2.gz GIKGYBCXBVALFN-INIZCTEOSA-N 1 1 358.442 3.208 20 5 FGBDMO Cc1cc(C2CC[NH+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)n[nH]1 ZINC000272954867 497770206 /nfs/dbraw/zinc/77/02/06/497770206.db2.gz MZZGQZPVUFKBCG-CQSZACIVSA-N 1 1 371.441 3.141 20 5 FGBDMO Cc1cc(C2CC[NH+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)[nH]n1 ZINC000272954867 497770211 /nfs/dbraw/zinc/77/02/11/497770211.db2.gz MZZGQZPVUFKBCG-CQSZACIVSA-N 1 1 371.441 3.141 20 5 FGBDMO CO[C@@]1(C)CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000280563351 497790130 /nfs/dbraw/zinc/79/01/30/497790130.db2.gz RIBPNTVWVGUBIU-INIZCTEOSA-N 1 1 355.822 3.078 20 5 FGBDMO CO[C@@]1(C)CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000280563351 497790134 /nfs/dbraw/zinc/79/01/34/497790134.db2.gz RIBPNTVWVGUBIU-INIZCTEOSA-N 1 1 355.822 3.078 20 5 FGBDMO CC[C@H](NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CC)c1cccc([N+](=O)[O-])c1 ZINC000246887530 497818856 /nfs/dbraw/zinc/81/88/56/497818856.db2.gz DWDQIJXGSCOGOW-SZMVWBNQSA-N 1 1 360.458 3.314 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H](C)c1ccccn1 ZINC000299568613 497850155 /nfs/dbraw/zinc/85/01/55/497850155.db2.gz HBQUYYSOSUKDMW-CYBMUJFWSA-N 1 1 358.398 3.020 20 5 FGBDMO CCc1nc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)n[nH]1 ZINC000296007863 497888730 /nfs/dbraw/zinc/88/87/30/497888730.db2.gz LIYYAAARVQBUOD-UHFFFAOYSA-N 1 1 361.789 3.479 20 5 FGBDMO C[C@H]1Cc2[nH+]cn(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)c2C[C@@H]1C ZINC000296023088 497893935 /nfs/dbraw/zinc/89/39/35/497893935.db2.gz RIWUSPDCJPLMED-RYUDHWBXSA-N 1 1 353.382 3.260 20 5 FGBDMO Cc1ccnc([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000581259527 505946037 /nfs/dbraw/zinc/94/60/37/505946037.db2.gz MBVAKSJLHKZYER-GJZGRUSLSA-N 1 1 354.410 3.115 20 5 FGBDMO Cc1ccnc([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000581259527 505946039 /nfs/dbraw/zinc/94/60/39/505946039.db2.gz MBVAKSJLHKZYER-GJZGRUSLSA-N 1 1 354.410 3.115 20 5 FGBDMO COc1ccc(C[N@H+]2CCCN(c3ccc(F)cc3[N+](=O)[O-])CC2)cc1 ZINC000301080427 497942163 /nfs/dbraw/zinc/94/21/63/497942163.db2.gz JFEYYLCCNLSBLS-UHFFFAOYSA-N 1 1 359.401 3.455 20 5 FGBDMO CC[N@@H+](C)Cc1cccc(CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])c1 ZINC000301229541 498011278 /nfs/dbraw/zinc/01/12/78/498011278.db2.gz IQHBQICYAFJYBA-UHFFFAOYSA-N 1 1 367.409 3.307 20 5 FGBDMO CSC[C@@H]1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000292506303 498041334 /nfs/dbraw/zinc/04/13/34/498041334.db2.gz VACBYCFKUQDZOO-CQSZACIVSA-N 1 1 351.472 3.307 20 5 FGBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccnn1C1CCCC1 ZINC000285281833 498041908 /nfs/dbraw/zinc/04/19/08/498041908.db2.gz JNYBUNCUJJPBPJ-UHFFFAOYSA-N 1 1 371.441 3.019 20 5 FGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccnn1C1CCCC1 ZINC000285281833 498041915 /nfs/dbraw/zinc/04/19/15/498041915.db2.gz JNYBUNCUJJPBPJ-UHFFFAOYSA-N 1 1 371.441 3.019 20 5 FGBDMO C[N@H+]1CC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccs1 ZINC000364618933 498053666 /nfs/dbraw/zinc/05/36/66/498053666.db2.gz BECNNDIKUBMLKB-RDTXWAMCSA-N 1 1 359.451 3.008 20 5 FGBDMO CC(C)(C)OC(=O)CC[N@@H+](Cc1csc([N+](=O)[O-])c1)C1CCOCC1 ZINC000581367582 505972368 /nfs/dbraw/zinc/97/23/68/505972368.db2.gz GLCAZSKZWKJDHF-UHFFFAOYSA-N 1 1 370.471 3.369 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@H](OC)C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000281511721 498177043 /nfs/dbraw/zinc/17/70/43/498177043.db2.gz ABKCULLKIDNMDT-JQWIXIFHSA-N 1 1 360.357 3.204 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@H](OC)C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000281511721 498177050 /nfs/dbraw/zinc/17/70/50/498177050.db2.gz ABKCULLKIDNMDT-JQWIXIFHSA-N 1 1 360.357 3.204 20 5 FGBDMO C[C@]12CCC[N@@H+]1C[C@H](c1noc(/C=C/c3ccccc3[N+](=O)[O-])n1)OC2 ZINC000578698091 505999054 /nfs/dbraw/zinc/99/90/54/505999054.db2.gz FGHDTVXYJGQYAE-FKUVRRMFSA-N 1 1 356.382 3.074 20 5 FGBDMO C[C@]12CCC[N@H+]1C[C@H](c1noc(/C=C/c3ccccc3[N+](=O)[O-])n1)OC2 ZINC000578698091 505999056 /nfs/dbraw/zinc/99/90/56/505999056.db2.gz FGHDTVXYJGQYAE-FKUVRRMFSA-N 1 1 356.382 3.074 20 5 FGBDMO Cn1cc[nH+]c1C[C@@H]1CCCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000301735934 498244120 /nfs/dbraw/zinc/24/41/20/498244120.db2.gz ZZNCFZQSCUPJRF-AWEZNQCLSA-N 1 1 351.410 3.336 20 5 FGBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000293080809 498260713 /nfs/dbraw/zinc/26/07/13/498260713.db2.gz CSARWZUDVDXUCZ-LBPRGKRZSA-N 1 1 373.375 3.418 20 5 FGBDMO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1Cc1ccccc1 ZINC000578733676 506008356 /nfs/dbraw/zinc/00/83/56/506008356.db2.gz XHJNTDBKHROANS-INIZCTEOSA-N 1 1 373.840 3.247 20 5 FGBDMO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1Cc1ccccc1 ZINC000578733676 506008358 /nfs/dbraw/zinc/00/83/58/506008358.db2.gz XHJNTDBKHROANS-INIZCTEOSA-N 1 1 373.840 3.247 20 5 FGBDMO CC(C)[NH+]1CCN(C2CCN(c3cc(Cl)ccc3[N+](=O)[O-])CC2)CC1 ZINC000286054525 498279169 /nfs/dbraw/zinc/27/91/69/498279169.db2.gz ABURDSDDDRPGKW-UHFFFAOYSA-N 1 1 366.893 3.243 20 5 FGBDMO CC(C)[N@@H+](C)Cc1ccccc1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301842701 498288694 /nfs/dbraw/zinc/28/86/94/498288694.db2.gz QPXGKMRKLMANSR-UHFFFAOYSA-N 1 1 354.414 3.090 20 5 FGBDMO C[C@@H]1C[C@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)CC[N@H+]1Cc1ccccc1 ZINC000301960171 498345981 /nfs/dbraw/zinc/34/59/81/498345981.db2.gz MFNRXHVIQDYLDE-GDBMZVCRSA-N 1 1 366.425 3.103 20 5 FGBDMO CC[NH+]1CCN(C(=O)Cc2ccc(Nc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000301987803 498357986 /nfs/dbraw/zinc/35/79/86/498357986.db2.gz LBVKTKZROWXNLE-UHFFFAOYSA-N 1 1 368.437 3.045 20 5 FGBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)CC[C@H]21 ZINC000293384417 498365985 /nfs/dbraw/zinc/36/59/85/498365985.db2.gz NTJOTGBFXMOHDU-IAQYHMDHSA-N 1 1 371.359 3.170 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000361418823 498389191 /nfs/dbraw/zinc/38/91/91/498389191.db2.gz UOGMIAAWFPERJH-GOSISDBHSA-N 1 1 367.449 3.497 20 5 FGBDMO C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC[N@H+](C2CCC2)C1 ZINC000293588262 498422148 /nfs/dbraw/zinc/42/21/48/498422148.db2.gz BRVRAVMQBPABBX-ZDUSSCGKSA-N 1 1 357.410 3.287 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000361797029 498432748 /nfs/dbraw/zinc/43/27/48/498432748.db2.gz GTFQRRDPCBWBHS-GFCCVEGCSA-N 1 1 365.393 3.361 20 5 FGBDMO C[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000302238037 498455465 /nfs/dbraw/zinc/45/54/65/498455465.db2.gz WMIXBFGHWAERQX-UONOGXRCSA-N 1 1 351.769 3.035 20 5 FGBDMO C[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000302238037 498455468 /nfs/dbraw/zinc/45/54/68/498455468.db2.gz WMIXBFGHWAERQX-UONOGXRCSA-N 1 1 351.769 3.035 20 5 FGBDMO Cc1cccc(NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000302523203 498500651 /nfs/dbraw/zinc/50/06/51/498500651.db2.gz YSWYYPFCOOCSSZ-UHFFFAOYSA-N 1 1 368.437 3.418 20 5 FGBDMO Cc1cc(N2CC[C@H]([NH+]3CC=CC3)C2)c(Br)cc1[N+](=O)[O-] ZINC000302651661 498524598 /nfs/dbraw/zinc/52/45/98/498524598.db2.gz GRIFMZXFUHMHCI-LBPRGKRZSA-N 1 1 352.232 3.116 20 5 FGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000282514536 498541460 /nfs/dbraw/zinc/54/14/60/498541460.db2.gz SJXAFHOQBPCFTF-UHFFFAOYSA-N 1 1 373.365 3.044 20 5 FGBDMO Cc1c(CN2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000332108136 498563458 /nfs/dbraw/zinc/56/34/58/498563458.db2.gz HOACVHRIDWSUHU-HOTGVXAUSA-N 1 1 361.486 3.224 20 5 FGBDMO C[C@@H]1C[N@H+](Cc2cccc(CNc3ccc(N)cc3[N+](=O)[O-])c2)CCO1 ZINC000290508515 498578217 /nfs/dbraw/zinc/57/82/17/498578217.db2.gz DZIUYNODLSJQLA-CQSZACIVSA-N 1 1 356.426 3.010 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2cccc(CNc3ccc(N)cc3[N+](=O)[O-])c2)CCO1 ZINC000290508515 498578222 /nfs/dbraw/zinc/57/82/22/498578222.db2.gz DZIUYNODLSJQLA-CQSZACIVSA-N 1 1 356.426 3.010 20 5 FGBDMO Cn1cc(C[N@H+]2CCC[C@@]2(C)CCCO)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000290525379 498585319 /nfs/dbraw/zinc/58/53/19/498585319.db2.gz QGTQFZYQQKDINM-IBGZPJMESA-N 1 1 358.442 3.122 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC000365671754 498590911 /nfs/dbraw/zinc/59/09/11/498590911.db2.gz FQNLFFPFDOIBOX-QAPCUYQASA-N 1 1 357.385 3.218 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC000365671754 498590918 /nfs/dbraw/zinc/59/09/18/498590918.db2.gz FQNLFFPFDOIBOX-QAPCUYQASA-N 1 1 357.385 3.218 20 5 FGBDMO C[N@H+](CCCn1ccnc1)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000290559356 498598494 /nfs/dbraw/zinc/59/84/94/498598494.db2.gz SFJJFQPCJKCIGR-UHFFFAOYSA-N 1 1 357.439 3.437 20 5 FGBDMO C[N@@H+](CCCn1ccnc1)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000290559356 498598501 /nfs/dbraw/zinc/59/85/01/498598501.db2.gz SFJJFQPCJKCIGR-UHFFFAOYSA-N 1 1 357.439 3.437 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000332299456 498639644 /nfs/dbraw/zinc/63/96/44/498639644.db2.gz UZUMZGNHXPPWTD-HOTGVXAUSA-N 1 1 363.483 3.452 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)cccc1[N+](=O)[O-] ZINC000298246356 498708885 /nfs/dbraw/zinc/70/88/85/498708885.db2.gz JTQHCSFAOLDTPU-GOEBONIOSA-N 1 1 353.369 3.209 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000332538076 498717914 /nfs/dbraw/zinc/71/79/14/498717914.db2.gz WCIRANWQEMETEK-BBRMVZONSA-N 1 1 369.259 3.484 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000332538076 498717920 /nfs/dbraw/zinc/71/79/20/498717920.db2.gz WCIRANWQEMETEK-BBRMVZONSA-N 1 1 369.259 3.484 20 5 FGBDMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000332616807 498743497 /nfs/dbraw/zinc/74/34/97/498743497.db2.gz QFADRKKYNOOGFY-UKRRQHHQSA-N 1 1 363.433 3.097 20 5 FGBDMO CN(C(=O)c1ccc(F)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311590907 498751825 /nfs/dbraw/zinc/75/18/25/498751825.db2.gz AKCJVOJHJCGDAQ-INIZCTEOSA-N 1 1 357.385 3.080 20 5 FGBDMO Cc1cnc(N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000312091295 498755953 /nfs/dbraw/zinc/75/59/53/498755953.db2.gz ZMVOYSMFIIWHMA-MSOLQXFVSA-N 1 1 352.438 3.257 20 5 FGBDMO Cc1nc(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000312119898 498758127 /nfs/dbraw/zinc/75/81/27/498758127.db2.gz UJFTVYFOFMMMPC-ROUUACIJSA-N 1 1 352.438 3.257 20 5 FGBDMO CNc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000312800871 498763954 /nfs/dbraw/zinc/76/39/54/498763954.db2.gz QJFGGBZJUWJOKG-RHSMWYFYSA-N 1 1 368.437 3.029 20 5 FGBDMO C[C@H]1C[C@H](N(C)C(=O)CCC(C)(C)[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000294797640 498809654 /nfs/dbraw/zinc/80/96/54/498809654.db2.gz BGNJFWXITVEHQT-FUHWJXTLSA-N 1 1 361.486 3.333 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cs1 ZINC000298746870 498868352 /nfs/dbraw/zinc/86/83/52/498868352.db2.gz IAZWEBSUEQFCOW-CQSZACIVSA-N 1 1 361.471 3.354 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cs1 ZINC000298746870 498868356 /nfs/dbraw/zinc/86/83/56/498868356.db2.gz IAZWEBSUEQFCOW-CQSZACIVSA-N 1 1 361.471 3.354 20 5 FGBDMO Cc1cnn(C2CC[NH+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000363636703 498917295 /nfs/dbraw/zinc/91/72/95/498917295.db2.gz FDOUFWRQVUYOCA-HNNXBMFYSA-N 1 1 371.441 3.072 20 5 FGBDMO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000295146428 498925931 /nfs/dbraw/zinc/92/59/31/498925931.db2.gz BMJMKZKTWGUBSK-CJNGLKHVSA-N 1 1 363.845 3.337 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCn1c[nH+]c2c1C[C@H](C)[C@H](C)C2 ZINC000295213216 498945506 /nfs/dbraw/zinc/94/55/06/498945506.db2.gz UWPIINGIGJPSOZ-OLZOCXBDSA-N 1 1 372.425 3.200 20 5 FGBDMO Cc1cc(F)c(NC(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000283925789 499015002 /nfs/dbraw/zinc/01/50/02/499015002.db2.gz KIYMZTJQMZZOHP-AWEZNQCLSA-N 1 1 350.350 3.060 20 5 FGBDMO O=c1cc(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)c2c(ccc3ccccc32)o1 ZINC000291656534 499025776 /nfs/dbraw/zinc/02/57/76/499025776.db2.gz FNEKRWGLZZBVSY-OAHLLOKOSA-N 1 1 359.372 3.396 20 5 FGBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000299343285 499030039 /nfs/dbraw/zinc/03/00/39/499030039.db2.gz FGOCOAZXSJCNMH-CABCVRRESA-N 1 1 365.499 3.312 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2F)[C@H](C)C1 ZINC000284058259 499040258 /nfs/dbraw/zinc/04/02/58/499040258.db2.gz QESYZRHWJQIWDB-IUODEOHRSA-N 1 1 352.410 3.236 20 5 FGBDMO C[C@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1=CC[N@@H+](C)CC1 ZINC000291723243 499047740 /nfs/dbraw/zinc/04/77/40/499047740.db2.gz RFGDOFXBBPFYJU-VIFPVBQESA-N 1 1 358.225 3.282 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@H](C)C1 ZINC000284197312 499066878 /nfs/dbraw/zinc/06/68/78/499066878.db2.gz YQHHGAZPRUQBTO-DGCLKSJQSA-N 1 1 354.838 3.442 20 5 FGBDMO C[C@@H](NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000284275815 499081583 /nfs/dbraw/zinc/08/15/83/499081583.db2.gz XQEMCIHNOAGLDJ-HIFRSBDPSA-N 1 1 362.430 3.246 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000364040118 499095535 /nfs/dbraw/zinc/09/55/35/499095535.db2.gz VPPYEIZJOCSMPZ-BWPNAZKDSA-N 1 1 371.481 3.106 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000364040119 499095669 /nfs/dbraw/zinc/09/56/69/499095669.db2.gz VPPYEIZJOCSMPZ-LCLWPZTBSA-N 1 1 371.481 3.106 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000284480324 499114193 /nfs/dbraw/zinc/11/41/93/499114193.db2.gz TVFXKCLAPVOTKU-KSSFIOAISA-N 1 1 373.453 3.082 20 5 FGBDMO Cc1csc(N2CCC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2)n1 ZINC000367287124 499173730 /nfs/dbraw/zinc/17/37/30/499173730.db2.gz GWRNLBRFUBIYGJ-UHFFFAOYSA-N 1 1 350.419 3.211 20 5 FGBDMO Cc1csc(N2CCC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2)n1 ZINC000367287124 499173733 /nfs/dbraw/zinc/17/37/33/499173733.db2.gz GWRNLBRFUBIYGJ-UHFFFAOYSA-N 1 1 350.419 3.211 20 5 FGBDMO O=C1C[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CN1 ZINC000367541705 499210422 /nfs/dbraw/zinc/21/04/22/499210422.db2.gz IYZHOTPRBXVYGW-CRAIPNDOSA-N 1 1 369.421 3.345 20 5 FGBDMO CC(=O)c1cc(NC[C@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000367731706 499229120 /nfs/dbraw/zinc/22/91/20/499229120.db2.gz XRJLHUWVMFCDTC-KUHUBIRLSA-N 1 1 371.441 3.026 20 5 FGBDMO CC(=O)c1cc(NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000367731706 499229121 /nfs/dbraw/zinc/22/91/21/499229121.db2.gz XRJLHUWVMFCDTC-KUHUBIRLSA-N 1 1 371.441 3.026 20 5 FGBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCN(c2cccc(F)c2)CC1 ZINC000371005771 499279561 /nfs/dbraw/zinc/27/95/61/499279561.db2.gz PLBNSMCPHFJUJT-HXUWFJFHSA-N 1 1 373.428 3.368 20 5 FGBDMO Cc1nnc([C@@H]2CC23CC[NH+](Cc2nc4cc([N+](=O)[O-])ccc4o2)CC3)o1 ZINC000368543309 499306058 /nfs/dbraw/zinc/30/60/58/499306058.db2.gz LVWISBWXRYLRBY-ZDUSSCGKSA-N 1 1 369.381 3.197 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC3(CCOCC3)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000368814480 499335556 /nfs/dbraw/zinc/33/55/56/499335556.db2.gz SITLRIINZOGJPU-CABCVRRESA-N 1 1 361.442 3.121 20 5 FGBDMO Cn1ccnc1[C@@H](N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000371666762 499352892 /nfs/dbraw/zinc/35/28/92/499352892.db2.gz WTESDMUCRRWHGI-LPHOPBHVSA-N 1 1 369.469 3.024 20 5 FGBDMO C[N@H+]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1c1cccs1 ZINC000369539348 499414520 /nfs/dbraw/zinc/41/45/20/499414520.db2.gz IAJKELAVCVECIQ-WBMJQRKESA-N 1 1 360.439 3.471 20 5 FGBDMO Cc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000372272531 499415658 /nfs/dbraw/zinc/41/56/58/499415658.db2.gz IBKQVTAEWVCOKJ-KRWDZBQOSA-N 1 1 366.425 3.327 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000369569009 499419638 /nfs/dbraw/zinc/41/96/38/499419638.db2.gz MRUWZXYFXLOUSX-CXAGYDPISA-N 1 1 359.451 3.388 20 5 FGBDMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1c1cccnc1 ZINC000372401626 499429629 /nfs/dbraw/zinc/42/96/29/499429629.db2.gz PROJAKPLSAVEHD-GUYCJALGSA-N 1 1 374.828 3.066 20 5 FGBDMO COCc1cc([N+](=O)[O-])ccc1N(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000375728834 499549249 /nfs/dbraw/zinc/54/92/49/499549249.db2.gz CBOUCAWVLVEEGY-JXFKEZNVSA-N 1 1 370.453 3.265 20 5 FGBDMO CCOC1CC2(C1)CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C2 ZINC000375753605 499551653 /nfs/dbraw/zinc/55/16/53/499551653.db2.gz AJYZWTFLCCLRNK-UHFFFAOYSA-N 1 1 361.442 3.123 20 5 FGBDMO CNc1c(C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000397999500 499565718 /nfs/dbraw/zinc/56/57/18/499565718.db2.gz MKCDTLYHAKQWCU-GOEBONIOSA-N 1 1 368.437 3.029 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]Cc2cnc3n2CCCC3)c1 ZINC000376726737 499632165 /nfs/dbraw/zinc/63/21/65/499632165.db2.gz BFJYOBZYUBAHIW-UHFFFAOYSA-N 1 1 352.341 3.019 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000376968354 499650185 /nfs/dbraw/zinc/65/01/85/499650185.db2.gz QANPYTOJXRTARE-JXFKEZNVSA-N 1 1 370.453 3.171 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000376968354 499650187 /nfs/dbraw/zinc/65/01/87/499650187.db2.gz QANPYTOJXRTARE-JXFKEZNVSA-N 1 1 370.453 3.171 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCC[C@H](c4nnc[nH]4)C3)o2)c1 ZINC000377245786 499673449 /nfs/dbraw/zinc/67/34/49/499673449.db2.gz OQECIEOULBPTFG-AWEZNQCLSA-N 1 1 353.382 3.353 20 5 FGBDMO CCOc1cc(C[N@@H+]2CCC[C@H](c3noc(CC)n3)C2)ccc1[N+](=O)[O-] ZINC000377285100 499676771 /nfs/dbraw/zinc/67/67/71/499676771.db2.gz DXGMTSDFMOWEPE-AWEZNQCLSA-N 1 1 360.414 3.319 20 5 FGBDMO CCOc1cc(C[N@H+]2CCC[C@H](c3noc(CC)n3)C2)ccc1[N+](=O)[O-] ZINC000377285100 499676773 /nfs/dbraw/zinc/67/67/73/499676773.db2.gz DXGMTSDFMOWEPE-AWEZNQCLSA-N 1 1 360.414 3.319 20 5 FGBDMO CC(C)n1cc(C[N@@H+]2CCCN(Cc3csc([N+](=O)[O-])c3)CC2)cn1 ZINC000377568846 499705492 /nfs/dbraw/zinc/70/54/92/499705492.db2.gz SBDJRCXAWVHDJX-UHFFFAOYSA-N 1 1 363.487 3.142 20 5 FGBDMO CC(C)n1cc(C[N@H+]2CCCN(Cc3csc([N+](=O)[O-])c3)CC2)cn1 ZINC000377568846 499705494 /nfs/dbraw/zinc/70/54/94/499705494.db2.gz SBDJRCXAWVHDJX-UHFFFAOYSA-N 1 1 363.487 3.142 20 5 FGBDMO C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411217511 499712504 /nfs/dbraw/zinc/71/25/04/499712504.db2.gz MERXBPXFUMMNJJ-HNAYVOBHSA-N 1 1 369.421 3.385 20 5 FGBDMO C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411217511 499712506 /nfs/dbraw/zinc/71/25/06/499712506.db2.gz MERXBPXFUMMNJJ-HNAYVOBHSA-N 1 1 369.421 3.385 20 5 FGBDMO CC(C)c1[nH+]ccn1C[C@@H]1CCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000377726209 499725673 /nfs/dbraw/zinc/72/56/73/499725673.db2.gz WPUKUNDZWQVIHV-HNNXBMFYSA-N 1 1 371.441 3.018 20 5 FGBDMO Cc1ncc(C[N@H+]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3)[C@H](C)C2)s1 ZINC000377793055 499734762 /nfs/dbraw/zinc/73/47/62/499734762.db2.gz QFNIMKFLSLAXDE-PXAZEXFGSA-N 1 1 374.466 3.000 20 5 FGBDMO Cc1ncc(C[N@H+]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H](C)C2)s1 ZINC000377793056 499734893 /nfs/dbraw/zinc/73/48/93/499734893.db2.gz QFNIMKFLSLAXDE-SJCJKPOMSA-N 1 1 374.466 3.000 20 5 FGBDMO COc1ccc(NC(=O)CC[N@@H+](Cc2cccnc2)C(C)C)c([N+](=O)[O-])c1 ZINC000411407189 499736001 /nfs/dbraw/zinc/73/60/01/499736001.db2.gz IAZZUACHOMWEMH-UHFFFAOYSA-N 1 1 372.425 3.238 20 5 FGBDMO Cc1ccc(C[N@H+](C)C2CCN(CCc3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000377917939 499748155 /nfs/dbraw/zinc/74/81/55/499748155.db2.gz KVBZAUITZXKHMO-UHFFFAOYSA-N 1 1 368.481 3.437 20 5 FGBDMO Cc1ccc(CN(C)C2CC[NH+](CCc3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000377917939 499748156 /nfs/dbraw/zinc/74/81/56/499748156.db2.gz KVBZAUITZXKHMO-UHFFFAOYSA-N 1 1 368.481 3.437 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]CC(C)(C)c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000414325420 499777967 /nfs/dbraw/zinc/77/79/67/499777967.db2.gz CSRLSPDWSLIQDZ-SFHVURJKSA-N 1 1 365.437 3.380 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+]3CCCO[C@H](CF)C3)o2)c([N+](=O)[O-])c1 ZINC000414483580 499797939 /nfs/dbraw/zinc/79/79/39/499797939.db2.gz ZJZCHMLFVMOISV-OAHLLOKOSA-N 1 1 364.373 3.424 20 5 FGBDMO COc1ccc([C@@H]2CCNC[C@H]2[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000414894142 499842379 /nfs/dbraw/zinc/84/23/79/499842379.db2.gz YYQVIQOZNFNIJS-KGETVQGISA-N 1 1 367.449 3.352 20 5 FGBDMO CCc1ccccc1[C@@H]([NH3+])CN[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000415073058 499860858 /nfs/dbraw/zinc/86/08/58/499860858.db2.gz YXXOGZUEQPNALI-LIRRHRJNSA-N 1 1 370.453 3.164 20 5 FGBDMO C[C@@H]1CN(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000413137949 499918335 /nfs/dbraw/zinc/91/83/35/499918335.db2.gz CLBRWLBJHGCORC-MRXNPFEDSA-N 1 1 368.437 3.011 20 5 FGBDMO C[C@@H]1CN(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000413137949 499918336 /nfs/dbraw/zinc/91/83/36/499918336.db2.gz CLBRWLBJHGCORC-MRXNPFEDSA-N 1 1 368.437 3.011 20 5 FGBDMO O=[N+]([O-])c1cnc(NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)c(F)c1 ZINC000413272112 499935593 /nfs/dbraw/zinc/93/55/93/499935593.db2.gz XREZIGIHRDEXRQ-HNNXBMFYSA-N 1 1 362.430 3.158 20 5 FGBDMO O=[N+]([O-])c1cnc(NC[C@H]2CSCC[N@H+]2Cc2ccccc2)c(F)c1 ZINC000413272112 499935595 /nfs/dbraw/zinc/93/55/95/499935595.db2.gz XREZIGIHRDEXRQ-HNNXBMFYSA-N 1 1 362.430 3.158 20 5 FGBDMO CC(C)([NH2+]CC(=O)NCC1(c2ccccc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000429255157 500034927 /nfs/dbraw/zinc/03/49/27/500034927.db2.gz MKKPWKBNWCBCCM-UHFFFAOYSA-N 1 1 367.449 3.268 20 5 FGBDMO Cc1cccc2c1C[N@@H+](CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)CC2 ZINC000429571980 500105695 /nfs/dbraw/zinc/10/56/95/500105695.db2.gz FUCREMHDVBCLEZ-UHFFFAOYSA-N 1 1 367.405 3.260 20 5 FGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425559783 500146794 /nfs/dbraw/zinc/14/67/94/500146794.db2.gz ZQMDUFIAPZHOLM-KSSFIOAISA-N 1 1 373.453 3.203 20 5 FGBDMO Cn1cc(C[N@H+]2CCOC[C@H](C3CCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000430142687 500199237 /nfs/dbraw/zinc/19/92/37/500199237.db2.gz CNFKVFQTKTYUHQ-GOSISDBHSA-N 1 1 370.453 3.244 20 5 FGBDMO C[C@H](c1ccccc1)[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000573406108 506188508 /nfs/dbraw/zinc/18/85/08/506188508.db2.gz PBUVDYWITMMODY-DNVCBOLYSA-N 1 1 358.442 3.158 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C(C)(C)CN1CCCC1 ZINC000419374271 500358865 /nfs/dbraw/zinc/35/88/65/500358865.db2.gz KMBMHYIQYXSOKM-UHFFFAOYSA-N 1 1 362.474 3.038 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C(C)(C)CN1CCCC1 ZINC000419374271 500358868 /nfs/dbraw/zinc/35/88/68/500358868.db2.gz KMBMHYIQYXSOKM-UHFFFAOYSA-N 1 1 362.474 3.038 20 5 FGBDMO C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)[C@H](C(N)=O)C1 ZINC000428456948 500512566 /nfs/dbraw/zinc/51/25/66/500512566.db2.gz GJPBBQNAHCVICI-WBMJQRKESA-N 1 1 359.451 3.409 20 5 FGBDMO CCOc1ccc([C@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000432411981 500512626 /nfs/dbraw/zinc/51/26/26/500512626.db2.gz DDHXLFBFTCRNMF-HOTGVXAUSA-N 1 1 365.474 3.145 20 5 FGBDMO CCOc1ccc([C@H](C)[NH2+]CCCN2CCCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000432411981 500512627 /nfs/dbraw/zinc/51/26/27/500512627.db2.gz DDHXLFBFTCRNMF-HOTGVXAUSA-N 1 1 365.474 3.145 20 5 FGBDMO C[N@H+](Cc1cccc(CN2CCOCC2)c1)Cc1ccccc1[N+](=O)[O-] ZINC000420902249 500526162 /nfs/dbraw/zinc/52/61/62/500526162.db2.gz MJZSCSCDSWFNCE-UHFFFAOYSA-N 1 1 355.438 3.059 20 5 FGBDMO C[N@@H+](Cc1cccc(CN2CCOCC2)c1)Cc1ccccc1[N+](=O)[O-] ZINC000420902249 500526164 /nfs/dbraw/zinc/52/61/64/500526164.db2.gz MJZSCSCDSWFNCE-UHFFFAOYSA-N 1 1 355.438 3.059 20 5 FGBDMO C[N@H+](Cc1ccc(CN2CCOCC2)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000420907249 500527628 /nfs/dbraw/zinc/52/76/28/500527628.db2.gz UZOHXQGXOQQDPT-UHFFFAOYSA-N 1 1 355.438 3.059 20 5 FGBDMO C[N@@H+](Cc1ccc(CN2CCOCC2)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000420907249 500527631 /nfs/dbraw/zinc/52/76/31/500527631.db2.gz UZOHXQGXOQQDPT-UHFFFAOYSA-N 1 1 355.438 3.059 20 5 FGBDMO Cc1ccnc(NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000428676037 500542028 /nfs/dbraw/zinc/54/20/28/500542028.db2.gz XNFYBNIHZKMREL-MRXNPFEDSA-N 1 1 358.467 3.328 20 5 FGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(CN2CCOCC2)cc1 ZINC000420960466 500542729 /nfs/dbraw/zinc/54/27/29/500542729.db2.gz HWNPBGXQPBWXGT-UHFFFAOYSA-N 1 1 369.465 3.102 20 5 FGBDMO Cc1cccc(C[N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1C ZINC000428743791 500552677 /nfs/dbraw/zinc/55/26/77/500552677.db2.gz LCRVRBRTQGKCEP-UHFFFAOYSA-N 1 1 353.422 3.233 20 5 FGBDMO Cc1cccc(C[N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1C ZINC000428743791 500552679 /nfs/dbraw/zinc/55/26/79/500552679.db2.gz LCRVRBRTQGKCEP-UHFFFAOYSA-N 1 1 353.422 3.233 20 5 FGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H](CCO)CC1 ZINC000421024937 500558096 /nfs/dbraw/zinc/55/80/96/500558096.db2.gz XQCACQLUSIOMGZ-UONOGXRCSA-N 1 1 360.414 3.190 20 5 FGBDMO Cc1cc(NCCC[N@H+]2CCCO[C@@H](C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000432871036 500581079 /nfs/dbraw/zinc/58/10/79/500581079.db2.gz JJACPZHZUQUQTR-HNNXBMFYSA-N 1 1 358.442 3.364 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000570607269 506204285 /nfs/dbraw/zinc/20/42/85/506204285.db2.gz PVUYBZLMMSUVHC-SFHVURJKSA-N 1 1 353.422 3.240 20 5 FGBDMO CN(CCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000447515253 500615135 /nfs/dbraw/zinc/61/51/35/500615135.db2.gz BLGDDEUHIDDHAZ-RBUKOAKNSA-N 1 1 371.485 3.387 20 5 FGBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000447680263 500644620 /nfs/dbraw/zinc/64/46/20/500644620.db2.gz QJYBICWBOMTHJP-MRXNPFEDSA-N 1 1 365.437 3.429 20 5 FGBDMO CC(C)NC(=O)c1ccc(NC[C@H]2[N@@H+](C)CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000447810326 500667749 /nfs/dbraw/zinc/66/77/49/500667749.db2.gz IFNSBXPAQNBJSO-QGZVFWFLSA-N 1 1 362.474 3.265 20 5 FGBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437640817 500674075 /nfs/dbraw/zinc/67/40/75/500674075.db2.gz YZALWQHEBDQQGE-IBGZPJMESA-N 1 1 374.485 3.234 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000437827588 500702366 /nfs/dbraw/zinc/70/23/66/500702366.db2.gz HDTUTZQFNQQMAT-MRXNPFEDSA-N 1 1 369.421 3.249 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1N[C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000444083749 500801108 /nfs/dbraw/zinc/80/11/08/500801108.db2.gz LMZWNFKAHLITAZ-MRXNPFEDSA-N 1 1 357.458 3.213 20 5 FGBDMO O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000434359568 500831865 /nfs/dbraw/zinc/83/18/65/500831865.db2.gz WQNOMRFQQYMJEL-IBGZPJMESA-N 1 1 372.469 3.286 20 5 FGBDMO COc1ccccc1[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444647582 500872868 /nfs/dbraw/zinc/87/28/68/500872868.db2.gz HOEGPIUXQIDLKK-ZDUSSCGKSA-N 1 1 352.394 3.469 20 5 FGBDMO COc1ccccc1[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444647582 500872873 /nfs/dbraw/zinc/87/28/73/500872873.db2.gz HOEGPIUXQIDLKK-ZDUSSCGKSA-N 1 1 352.394 3.469 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCSC(C)(C)CC1 ZINC000434666457 500875830 /nfs/dbraw/zinc/87/58/30/500875830.db2.gz SSCWXPYAWNWAMC-UHFFFAOYSA-N 1 1 351.472 3.449 20 5 FGBDMO C[N@@H+](CC1(c2ccccc2)CC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000444686928 500878741 /nfs/dbraw/zinc/87/87/41/500878741.db2.gz UKKJVJFHJMACRN-LJQANCHMSA-N 1 1 365.433 3.364 20 5 FGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CCCOCc1ccccc1 ZINC000439466276 500900214 /nfs/dbraw/zinc/90/02/14/500900214.db2.gz HDMFZYSNPQQRTN-INIZCTEOSA-N 1 1 371.437 3.461 20 5 FGBDMO C[N@@H+](CCN1CCOC(C)(C)C1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000435053072 500927766 /nfs/dbraw/zinc/92/77/66/500927766.db2.gz ZOMINOQEQDQOTA-UHFFFAOYSA-N 1 1 373.453 3.397 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]C[C@H]1CCCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000449493921 501016532 /nfs/dbraw/zinc/01/65/32/501016532.db2.gz MJVYFXFKFOSBTB-UKRRQHHQSA-N 1 1 350.369 3.443 20 5 FGBDMO CC1(C)CCC[N@@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000436089777 501068565 /nfs/dbraw/zinc/06/85/65/501068565.db2.gz KFVDIFCNZFJHLH-UHFFFAOYSA-N 1 1 354.838 3.492 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000446103002 501075153 /nfs/dbraw/zinc/07/51/53/501075153.db2.gz LPKCENRPQMATKI-AAEUAGOBSA-N 1 1 353.850 3.407 20 5 FGBDMO C[C@@H](c1cccnc1)[NH+]1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450334596 501094030 /nfs/dbraw/zinc/09/40/30/501094030.db2.gz TZYYDGCKWYUGEC-HNNXBMFYSA-N 1 1 363.421 3.421 20 5 FGBDMO COc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000449814301 501095677 /nfs/dbraw/zinc/09/56/77/501095677.db2.gz KJGVTPUJLWBVLZ-INIZCTEOSA-N 1 1 361.442 3.017 20 5 FGBDMO Cc1nc(Nc2cccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)c2)ncc1[N+](=O)[O-] ZINC000450343008 501095868 /nfs/dbraw/zinc/09/58/68/501095868.db2.gz VPBHJPFDYXTNJJ-CHWSQXEVSA-N 1 1 357.414 3.046 20 5 FGBDMO Cc1nc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000450347267 501096327 /nfs/dbraw/zinc/09/63/27/501096327.db2.gz OUMNJKOWAUVAED-YOEHRIQHSA-N 1 1 355.442 3.183 20 5 FGBDMO C[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[N@@H+](C)Cc1ccccc1 ZINC000446429228 501120556 /nfs/dbraw/zinc/12/05/56/501120556.db2.gz GPPQZFPEDSIEDO-HNNXBMFYSA-N 1 1 353.422 3.000 20 5 FGBDMO Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1C ZINC000446713405 501155676 /nfs/dbraw/zinc/15/56/76/501155676.db2.gz XQEMSUVSBRVMQX-HXUWFJFHSA-N 1 1 370.449 3.318 20 5 FGBDMO Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1C ZINC000446713405 501155679 /nfs/dbraw/zinc/15/56/79/501155679.db2.gz XQEMSUVSBRVMQX-HXUWFJFHSA-N 1 1 370.449 3.318 20 5 FGBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000446849078 501173580 /nfs/dbraw/zinc/17/35/80/501173580.db2.gz LKXNBWRTDZJVIO-GOEBONIOSA-N 1 1 365.437 3.396 20 5 FGBDMO C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000446849078 501173583 /nfs/dbraw/zinc/17/35/83/501173583.db2.gz LKXNBWRTDZJVIO-GOEBONIOSA-N 1 1 365.437 3.396 20 5 FGBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC000451076141 501243505 /nfs/dbraw/zinc/24/35/05/501243505.db2.gz FGCOURQRLIOTKA-CQSZACIVSA-N 1 1 367.396 3.178 20 5 FGBDMO CC(C)[N@@H+](C)Cc1ccccc1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596074653 506243319 /nfs/dbraw/zinc/24/33/19/506243319.db2.gz CYFMKYGARIWLHR-UHFFFAOYSA-N 1 1 356.426 3.146 20 5 FGBDMO COc1c(C)c[nH+]c(CN(C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1C ZINC000451378680 501279425 /nfs/dbraw/zinc/27/94/25/501279425.db2.gz TZGZJHJESFEBDW-AWEZNQCLSA-N 1 1 372.425 3.074 20 5 FGBDMO CNC(=O)c1cccc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000451544873 501318301 /nfs/dbraw/zinc/31/83/01/501318301.db2.gz GBVPJHZRVZBSMP-GOSISDBHSA-N 1 1 353.422 3.334 20 5 FGBDMO O=C(C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)NCc1ccc(F)cc1 ZINC000451542895 501318323 /nfs/dbraw/zinc/31/83/23/501318323.db2.gz AQQCRBFPZXFGFW-KRWDZBQOSA-N 1 1 371.412 3.230 20 5 FGBDMO O=C(C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)NCc1ccc(F)cc1 ZINC000451542895 501318325 /nfs/dbraw/zinc/31/83/25/501318325.db2.gz AQQCRBFPZXFGFW-KRWDZBQOSA-N 1 1 371.412 3.230 20 5 FGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3nnc4n3CCCCC4)C2)cc1 ZINC000451544048 501318687 /nfs/dbraw/zinc/31/86/87/501318687.db2.gz DETHFBIWLPMLFZ-MRXNPFEDSA-N 1 1 355.442 3.292 20 5 FGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3nnc4n3CCCCC4)C2)cc1 ZINC000451544048 501318689 /nfs/dbraw/zinc/31/86/89/501318689.db2.gz DETHFBIWLPMLFZ-MRXNPFEDSA-N 1 1 355.442 3.292 20 5 FGBDMO CC(C)Oc1ccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1 ZINC000453572801 501351314 /nfs/dbraw/zinc/35/13/14/501351314.db2.gz GBNIDFJHHKHKFF-UHFFFAOYSA-N 1 1 356.426 3.099 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@@H]4C[C@H](O)CC[C@H]4C3)o2)c1 ZINC000451691324 501351745 /nfs/dbraw/zinc/35/17/45/501351745.db2.gz BWCHPZOVONCEDO-UWWQBHOKSA-N 1 1 371.437 3.275 20 5 FGBDMO CO[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C12CCC2 ZINC000451854476 501386395 /nfs/dbraw/zinc/38/63/95/501386395.db2.gz QVPRAHOZEQEAOX-SJORKVTESA-N 1 1 361.442 3.121 20 5 FGBDMO COC(=O)[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1c1ccccc1 ZINC000451997584 501416044 /nfs/dbraw/zinc/41/60/44/501416044.db2.gz ALHFIHUZXAVFCE-MSOLQXFVSA-N 1 1 354.406 3.292 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000452175609 501454013 /nfs/dbraw/zinc/45/40/13/501454013.db2.gz UBUPTJXTPYRCIN-CYBMUJFWSA-N 1 1 363.483 3.263 20 5 FGBDMO CC[C@@H](NC(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000458526793 501465908 /nfs/dbraw/zinc/46/59/08/501465908.db2.gz YFRZBSLBQBSGCG-KBXCAEBGSA-N 1 1 360.458 3.172 20 5 FGBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000454513822 501565834 /nfs/dbraw/zinc/56/58/34/501565834.db2.gz ISBNRIMQDLKGET-NSHDSACASA-N 1 1 372.372 3.144 20 5 FGBDMO Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCC[C@H](c3ccc([N+](=O)[O-])cc3)C1)C2 ZINC000452841414 501572029 /nfs/dbraw/zinc/57/20/29/501572029.db2.gz HCSURNMIVPOPMT-IRXDYDNUSA-N 1 1 368.437 3.068 20 5 FGBDMO COc1cc(C[N@@H+](Cc2cnn(C)c2)CC(C)C)c([N+](=O)[O-])cc1F ZINC000459601419 501685077 /nfs/dbraw/zinc/68/50/77/501685077.db2.gz XSEOJOPHGNJAIY-UHFFFAOYSA-N 1 1 350.394 3.134 20 5 FGBDMO COc1cc(C[N@H+](Cc2cnn(C)c2)CC(C)C)c([N+](=O)[O-])cc1F ZINC000459601419 501685079 /nfs/dbraw/zinc/68/50/79/501685079.db2.gz XSEOJOPHGNJAIY-UHFFFAOYSA-N 1 1 350.394 3.134 20 5 FGBDMO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000455096408 501687221 /nfs/dbraw/zinc/68/72/21/501687221.db2.gz RPYVKMIHGRSXBZ-MAUKXSAKSA-N 1 1 368.437 3.230 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCc2cccc(Cl)c2C1 ZINC000459679521 501697825 /nfs/dbraw/zinc/69/78/25/501697825.db2.gz OIYSWQJMZDAEOX-AWEZNQCLSA-N 1 1 362.813 3.046 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCc2cccc(Cl)c2C1 ZINC000459679521 501697828 /nfs/dbraw/zinc/69/78/28/501697828.db2.gz OIYSWQJMZDAEOX-AWEZNQCLSA-N 1 1 362.813 3.046 20 5 FGBDMO C[C@H](Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)C1=CC[N@@H+](C)CC1 ZINC000485414587 501815265 /nfs/dbraw/zinc/81/52/65/501815265.db2.gz XNQLYVWWFAMNJI-ZDUSSCGKSA-N 1 1 356.401 3.280 20 5 FGBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485682847 501900204 /nfs/dbraw/zinc/90/02/04/501900204.db2.gz MRUNIGZYWMRVHQ-GFCCVEGCSA-N 1 1 371.384 3.191 20 5 FGBDMO CCC1(CC)[C@H]([N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1OC ZINC000485755432 501925994 /nfs/dbraw/zinc/92/59/94/501925994.db2.gz NQSZUZKWBVFPNG-SJORKVTESA-N 1 1 363.458 3.083 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccnn1-c1ccccc1C ZINC000474723627 501934173 /nfs/dbraw/zinc/93/41/73/501934173.db2.gz RLNLHNIGJYUCPX-UHFFFAOYSA-N 1 1 352.394 3.387 20 5 FGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)c2ccc(Br)cc2)c(F)c1 ZINC000478323590 501943319 /nfs/dbraw/zinc/94/33/19/501943319.db2.gz KYAGYAULBNVEOS-HNNXBMFYSA-N 1 1 369.190 3.320 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H]1c1ccccc1 ZINC000471180207 501948119 /nfs/dbraw/zinc/94/81/19/501948119.db2.gz AXRUDBPFDAOWQQ-QGZVFWFLSA-N 1 1 355.394 3.379 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]1c1ccccc1 ZINC000471180206 501948278 /nfs/dbraw/zinc/94/82/78/501948278.db2.gz AXRUDBPFDAOWQQ-KRWDZBQOSA-N 1 1 355.394 3.379 20 5 FGBDMO CCc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000471298261 501982549 /nfs/dbraw/zinc/98/25/49/501982549.db2.gz OIBPWDQXZAOAFN-ZDUSSCGKSA-N 1 1 373.478 3.395 20 5 FGBDMO CCc1ccc(C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000471298261 501982555 /nfs/dbraw/zinc/98/25/55/501982555.db2.gz OIBPWDQXZAOAFN-ZDUSSCGKSA-N 1 1 373.478 3.395 20 5 FGBDMO COC(=O)c1c(Cl)c(NC[C@@H]2CC[N@@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000596164219 506287692 /nfs/dbraw/zinc/28/76/92/506287692.db2.gz XSESENSPXYEMNS-LBPRGKRZSA-N 1 1 369.849 3.425 20 5 FGBDMO CCc1ccc(C(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000592879798 506287976 /nfs/dbraw/zinc/28/79/76/506287976.db2.gz DASTWOSEOOJBSU-MOPGFXCFSA-N 1 1 367.449 3.232 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000468483071 502074970 /nfs/dbraw/zinc/07/49/70/502074970.db2.gz GYKGOJKOODFWRL-AWEZNQCLSA-N 1 1 353.850 3.407 20 5 FGBDMO CSc1cccc(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000468493930 502079796 /nfs/dbraw/zinc/07/97/96/502079796.db2.gz YTUSOGIAHQCOBB-CQSZACIVSA-N 1 1 351.472 3.167 20 5 FGBDMO COCC[C@@H]1CCCC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000468700557 502151455 /nfs/dbraw/zinc/15/14/55/502151455.db2.gz SIBALOQCKIIOKH-AWEZNQCLSA-N 1 1 352.431 3.251 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])n2C)cc1 ZINC000479291259 502215585 /nfs/dbraw/zinc/21/55/85/502215585.db2.gz YCQUVDARASCTDJ-OAHLLOKOSA-N 1 1 370.453 3.238 20 5 FGBDMO CC[N@@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000475578611 502217652 /nfs/dbraw/zinc/21/76/52/502217652.db2.gz CADZXPMEUIEGRS-UHFFFAOYSA-N 1 1 350.415 3.301 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+]2CCc3ccccc3[C@@H]2C)cc1[N+](=O)[O-] ZINC000475694462 502255941 /nfs/dbraw/zinc/25/59/41/502255941.db2.gz GJNQTAOESUKNIJ-AWEZNQCLSA-N 1 1 370.405 3.266 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CCc3ccccc3[C@@H]2C)cc1[N+](=O)[O-] ZINC000475694462 502255948 /nfs/dbraw/zinc/25/59/48/502255948.db2.gz GJNQTAOESUKNIJ-AWEZNQCLSA-N 1 1 370.405 3.266 20 5 FGBDMO CCC[C@@H](C)[C@@H]1CCC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000486785777 502260245 /nfs/dbraw/zinc/26/02/45/502260245.db2.gz FABHVAZZMPZZRY-OCCSQVGLSA-N 1 1 363.414 3.163 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000475724927 502266156 /nfs/dbraw/zinc/26/61/56/502266156.db2.gz MVFFICWFSUUYPM-HZPDHXFCSA-N 1 1 362.426 3.301 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@H](c1ncc[nH]1)c1cccnc1 ZINC000479459748 502266614 /nfs/dbraw/zinc/26/66/14/502266614.db2.gz XGLTUEFWBJQSDJ-INIZCTEOSA-N 1 1 357.801 3.288 20 5 FGBDMO CS(=O)(=O)C1(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000479474882 502270812 /nfs/dbraw/zinc/27/08/12/502270812.db2.gz FJCVXXXMIOHWHL-GOSISDBHSA-N 1 1 374.462 3.241 20 5 FGBDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596193613 506304057 /nfs/dbraw/zinc/30/40/57/506304057.db2.gz HBSSWAUDXFZUKH-SFHVURJKSA-N 1 1 370.453 3.262 20 5 FGBDMO CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](COC)Cc1ccccc1 ZINC000472353819 502326505 /nfs/dbraw/zinc/32/65/05/502326505.db2.gz SBTBFFISVRUWIW-QGZVFWFLSA-N 1 1 371.437 3.113 20 5 FGBDMO CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](COC)Cc1ccccc1 ZINC000472353819 502326511 /nfs/dbraw/zinc/32/65/11/502326511.db2.gz SBTBFFISVRUWIW-QGZVFWFLSA-N 1 1 371.437 3.113 20 5 FGBDMO COCC[N@@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])[C@@H]1CC[C@H](C)C1 ZINC000483402808 502375671 /nfs/dbraw/zinc/37/56/71/502375671.db2.gz HFJYYWFLYTUEOV-DZGCQCFKSA-N 1 1 352.431 3.249 20 5 FGBDMO CNC(=O)C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C)c1ccccc1 ZINC000483419307 502384531 /nfs/dbraw/zinc/38/45/31/502384531.db2.gz HYAOFIXKMPVLEH-SFHVURJKSA-N 1 1 371.437 3.349 20 5 FGBDMO Cc1c(CNC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000480065431 502461992 /nfs/dbraw/zinc/46/19/92/502461992.db2.gz YBEXKVHSTTYZDB-LJQANCHMSA-N 1 1 368.437 3.102 20 5 FGBDMO Cc1c(CNC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000480065431 502461996 /nfs/dbraw/zinc/46/19/96/502461996.db2.gz YBEXKVHSTTYZDB-LJQANCHMSA-N 1 1 368.437 3.102 20 5 FGBDMO CCC[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000462503426 502467780 /nfs/dbraw/zinc/46/77/80/502467780.db2.gz QAVNEXSAVBEMDC-QGZVFWFLSA-N 1 1 370.453 3.135 20 5 FGBDMO CC(C)c1ccc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c(O)c(=O)c1 ZINC000596224304 506319581 /nfs/dbraw/zinc/31/95/81/506319581.db2.gz ZYVGAELWWZAEQG-UHFFFAOYSA-N 1 1 356.422 3.459 20 5 FGBDMO CN(c1c(Br)cccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000596230485 506321519 /nfs/dbraw/zinc/32/15/19/506321519.db2.gz BGMBSRLNMSFIFK-FOSCPWQOSA-N 1 1 354.248 3.419 20 5 FGBDMO COCC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H]1CCC[C@@H]1C ZINC000488029425 502605396 /nfs/dbraw/zinc/60/53/96/502605396.db2.gz WVUWWWUQULANRZ-YOEHRIQHSA-N 1 1 363.458 3.369 20 5 FGBDMO COCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CCC[C@@H]1C ZINC000488058660 502614999 /nfs/dbraw/zinc/61/49/99/502614999.db2.gz FAJUHJRBBHGVKM-YJBOKZPZSA-N 1 1 363.458 3.369 20 5 FGBDMO Cc1cc(F)ccc1C[N@@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000488059592 502615048 /nfs/dbraw/zinc/61/50/48/502615048.db2.gz GOPJKPFQVYDWAN-SFHVURJKSA-N 1 1 357.385 3.280 20 5 FGBDMO Cc1cc(F)ccc1C[N@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000488059592 502615053 /nfs/dbraw/zinc/61/50/53/502615053.db2.gz GOPJKPFQVYDWAN-SFHVURJKSA-N 1 1 357.385 3.280 20 5 FGBDMO CNc1c(C(=O)N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cccc1[N+](=O)[O-] ZINC000462934943 502632974 /nfs/dbraw/zinc/63/29/74/502632974.db2.gz KZEQOVNZSXVXDX-QLFBSQMISA-N 1 1 360.458 3.114 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@]4(CCCOC4)C3)n2)cc1 ZINC000477047876 502660982 /nfs/dbraw/zinc/66/09/82/502660982.db2.gz JFNMHNKBBURTBA-GOSISDBHSA-N 1 1 358.398 3.037 20 5 FGBDMO Cc1cc(NC(=O)N(C)CCC[N@@H+](C)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000480761068 502663158 /nfs/dbraw/zinc/66/31/58/502663158.db2.gz JQZIQWKHIZESCU-UHFFFAOYSA-N 1 1 360.414 3.482 20 5 FGBDMO CC[N@@H+](CCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)CCC(F)(F)F ZINC000470139823 502674754 /nfs/dbraw/zinc/67/47/54/502674754.db2.gz FYKZEFMSZPPNQW-UHFFFAOYSA-N 1 1 366.315 3.130 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@H](c4cccnc4)C3)n2)c1 ZINC000602855852 506328089 /nfs/dbraw/zinc/32/80/89/506328089.db2.gz PWYAPHMUFZLRCL-MRXNPFEDSA-N 1 1 365.393 3.419 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@H](c4cccnc4)C3)n2)c1 ZINC000602855852 506328095 /nfs/dbraw/zinc/32/80/95/506328095.db2.gz PWYAPHMUFZLRCL-MRXNPFEDSA-N 1 1 365.393 3.419 20 5 FGBDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)[C@H]1C ZINC000470157566 502684886 /nfs/dbraw/zinc/68/48/86/502684886.db2.gz ZIPHGEDBQDOAJW-WFASDCNBSA-N 1 1 374.393 3.247 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000470278334 502723391 /nfs/dbraw/zinc/72/33/91/502723391.db2.gz DZFDHYNNXPBPGJ-QGZVFWFLSA-N 1 1 361.486 3.402 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000488518001 502739470 /nfs/dbraw/zinc/73/94/70/502739470.db2.gz PIOBNLUKPDSCOV-BBRMVZONSA-N 1 1 359.451 3.297 20 5 FGBDMO C[C@@H](c1cccnc1)[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000481198355 502781262 /nfs/dbraw/zinc/78/12/62/502781262.db2.gz NUOPUUMTEGKSDW-AWEZNQCLSA-N 1 1 366.425 3.139 20 5 FGBDMO O=C(CC[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000463418263 502792125 /nfs/dbraw/zinc/79/21/25/502792125.db2.gz GCHIHTOEEBQYOZ-UHFFFAOYSA-N 1 1 367.405 3.176 20 5 FGBDMO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000504913882 502823159 /nfs/dbraw/zinc/82/31/59/502823159.db2.gz IIKCTEWNJCGJCW-QGZVFWFLSA-N 1 1 354.410 3.381 20 5 FGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H](CO)c1cccc(Cl)c1Cl ZINC000602888253 506338165 /nfs/dbraw/zinc/33/81/65/506338165.db2.gz MJRJPTPDAJWHOX-CYBMUJFWSA-N 1 1 373.240 3.072 20 5 FGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@H](CO)c1cccc(Cl)c1Cl ZINC000602888253 506338171 /nfs/dbraw/zinc/33/81/71/506338171.db2.gz MJRJPTPDAJWHOX-CYBMUJFWSA-N 1 1 373.240 3.072 20 5 FGBDMO COc1ccc(C[N@H+]2CC[C@H]2CNc2cccc(OC)c2[N+](=O)[O-])cc1 ZINC000599138876 506339414 /nfs/dbraw/zinc/33/94/14/506339414.db2.gz IBSCVRGFPZJVMH-HNNXBMFYSA-N 1 1 357.410 3.298 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+]C2(c3ccc(OC)cc3)CC2)c1 ZINC000593017864 506339606 /nfs/dbraw/zinc/33/96/06/506339606.db2.gz CODMUWBOJINOAF-UHFFFAOYSA-N 1 1 356.378 3.169 20 5 FGBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501081503 502931491 /nfs/dbraw/zinc/93/14/91/502931491.db2.gz XJQIBGNRELIOCE-UHFFFAOYSA-N 1 1 354.454 3.381 20 5 FGBDMO CC(C)[C@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000513424312 502935202 /nfs/dbraw/zinc/93/52/02/502935202.db2.gz GAUREFAHYGAVOO-KRWDZBQOSA-N 1 1 359.451 3.280 20 5 FGBDMO CC(C)[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000513424312 502935206 /nfs/dbraw/zinc/93/52/06/502935206.db2.gz GAUREFAHYGAVOO-KRWDZBQOSA-N 1 1 359.451 3.280 20 5 FGBDMO Cc1ccc(C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000501228324 502963179 /nfs/dbraw/zinc/96/31/79/502963179.db2.gz PEKIKHUQTHUYNH-QAPCUYQASA-N 1 1 353.422 3.469 20 5 FGBDMO C[N@H+]1CCCC12CCN(C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)CC2 ZINC000497518630 502978433 /nfs/dbraw/zinc/97/84/33/502978433.db2.gz HXOLGINDRFBARE-UHFFFAOYSA-N 1 1 371.359 3.314 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000505798391 502988354 /nfs/dbraw/zinc/98/83/54/502988354.db2.gz BKKTXBUNJTYYEX-ZDUSSCGKSA-N 1 1 351.472 3.169 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]CCc1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000514081388 503082243 /nfs/dbraw/zinc/08/22/43/503082243.db2.gz BUNLFKMOHANZBY-SFHVURJKSA-N 1 1 354.385 3.389 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000510383448 503103840 /nfs/dbraw/zinc/10/38/40/503103840.db2.gz XEZBUWTZGYGVMP-HZSPNIEDSA-N 1 1 364.446 3.091 20 5 FGBDMO COc1ccc(-c2ccc(CN3CC[NH+](C4CC4)CC3)o2)c([N+](=O)[O-])c1 ZINC000506439819 503115814 /nfs/dbraw/zinc/11/58/14/503115814.db2.gz RCPNKDMIQCZYMD-UHFFFAOYSA-N 1 1 357.410 3.143 20 5 FGBDMO O=C(c1cc(NC[C@@H]2CC[N@H+]2C2CCCC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000599163134 506353477 /nfs/dbraw/zinc/35/34/77/506353477.db2.gz BQDDBDHWTMBOEX-KRWDZBQOSA-N 1 1 372.469 3.260 20 5 FGBDMO COC(=O)c1c(Cl)c(NC[C@H]2CC[N@H+]2C2CCCC2)ccc1[N+](=O)[O-] ZINC000599163646 506354633 /nfs/dbraw/zinc/35/46/33/506354633.db2.gz GIVFRKAMJNCZQK-GFCCVEGCSA-N 1 1 367.833 3.464 20 5 FGBDMO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000510545164 503140172 /nfs/dbraw/zinc/14/01/72/503140172.db2.gz KKUGYCCNQYHCQO-SCLBCKFNSA-N 1 1 357.410 3.030 20 5 FGBDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000506602665 503141552 /nfs/dbraw/zinc/14/15/52/503141552.db2.gz XYKKSWLANJKTEM-KBPBESRZSA-N 1 1 351.422 3.251 20 5 FGBDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000506602665 503141554 /nfs/dbraw/zinc/14/15/54/503141554.db2.gz XYKKSWLANJKTEM-KBPBESRZSA-N 1 1 351.422 3.251 20 5 FGBDMO Cc1cc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)cc(N2CCCC2)[nH+]1 ZINC000514821261 503201376 /nfs/dbraw/zinc/20/13/76/503201376.db2.gz WMCSTRUSZNPDPF-UHFFFAOYSA-N 1 1 355.398 3.220 20 5 FGBDMO C[C@@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)[N@H+]1CCCC[C@@H]1C ZINC000510875793 503208696 /nfs/dbraw/zinc/20/86/96/503208696.db2.gz FNSPBSIMLPIWDG-HOTGVXAUSA-N 1 1 362.474 3.042 20 5 FGBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000510950943 503223620 /nfs/dbraw/zinc/22/36/20/503223620.db2.gz MEDFIHPQDALFEU-QWHCGFSZSA-N 1 1 373.375 3.436 20 5 FGBDMO Cc1ccccc1CNC(=O)[C@@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511071641 503246676 /nfs/dbraw/zinc/24/66/76/503246676.db2.gz HDUJWFPDZIVOQQ-MRXNPFEDSA-N 1 1 355.438 3.082 20 5 FGBDMO Cc1ccccc1CNC(=O)[C@@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511071641 503246680 /nfs/dbraw/zinc/24/66/80/503246680.db2.gz HDUJWFPDZIVOQQ-MRXNPFEDSA-N 1 1 355.438 3.082 20 5 FGBDMO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511071968 503247001 /nfs/dbraw/zinc/24/70/01/503247001.db2.gz CAJZZXGBJQXCFF-HNNXBMFYSA-N 1 1 373.428 3.255 20 5 FGBDMO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511071968 503247003 /nfs/dbraw/zinc/24/70/03/503247003.db2.gz CAJZZXGBJQXCFF-HNNXBMFYSA-N 1 1 373.428 3.255 20 5 FGBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)N[C@H]1CCCc2ccccc21 ZINC000511097197 503254325 /nfs/dbraw/zinc/25/43/25/503254325.db2.gz UMTXXUJUOPJARI-IBGZPJMESA-N 1 1 367.449 3.263 20 5 FGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)N[C@H]1CCCc2ccccc21 ZINC000511097197 503254329 /nfs/dbraw/zinc/25/43/29/503254329.db2.gz UMTXXUJUOPJARI-IBGZPJMESA-N 1 1 367.449 3.263 20 5 FGBDMO COc1cccc([C@@H](C)[NH+]2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000507681924 503346565 /nfs/dbraw/zinc/34/65/65/503346565.db2.gz DZPCYXYBSISUOU-MRXNPFEDSA-N 1 1 355.438 3.482 20 5 FGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000492150253 503352985 /nfs/dbraw/zinc/35/29/85/503352985.db2.gz IFXMSAFTEJMKHH-OAHLLOKOSA-N 1 1 369.190 3.320 20 5 FGBDMO O=[N+]([O-])c1cccc(C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)c1 ZINC000492256304 503361074 /nfs/dbraw/zinc/36/10/74/503361074.db2.gz GIZMNGNRYIOXMJ-OAHLLOKOSA-N 1 1 369.190 3.320 20 5 FGBDMO COc1cc(Cl)ccc1C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962511 506368618 /nfs/dbraw/zinc/36/86/18/506368618.db2.gz LDFVZFGNVPOKBN-KRWDZBQOSA-N 1 1 350.802 3.254 20 5 FGBDMO C[C@](CO)([NH2+]Cc1cc(F)ccc1OC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000602962772 506369248 /nfs/dbraw/zinc/36/92/48/506369248.db2.gz OWKFCFHVEXYIOA-QGZVFWFLSA-N 1 1 370.327 3.333 20 5 FGBDMO C/C(=C\c1ccccc1)C[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000494235462 503509158 /nfs/dbraw/zinc/50/91/58/503509158.db2.gz WSWZCPQIHUBISN-FXFXYLOPSA-N 1 1 356.422 3.370 20 5 FGBDMO C/C(=C/c1ccccc1)C[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000494235464 503509470 /nfs/dbraw/zinc/50/94/70/503509470.db2.gz WSWZCPQIHUBISN-XOQYZJNISA-N 1 1 356.422 3.370 20 5 FGBDMO Cc1c(CC(=O)N2CC[NH2+]C[C@@H]2c2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000516453809 503514188 /nfs/dbraw/zinc/51/41/88/503514188.db2.gz SDRNQOCBKBICIA-GOSISDBHSA-N 1 1 373.840 3.272 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC4(CC4(F)F)CC3)n2)c1 ZINC000593076128 506377193 /nfs/dbraw/zinc/37/71/93/506377193.db2.gz ICJMYWUWRVWOSI-UHFFFAOYSA-N 1 1 350.325 3.266 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](OCC3CC3)C2)cccc1[N+](=O)[O-] ZINC000494654188 503584178 /nfs/dbraw/zinc/58/41/78/503584178.db2.gz WTYDDNXQGDJUEH-GDBMZVCRSA-N 1 1 361.442 3.121 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](OCC3CC3)C2)cccc1[N+](=O)[O-] ZINC000494654188 503584184 /nfs/dbraw/zinc/58/41/84/503584184.db2.gz WTYDDNXQGDJUEH-GDBMZVCRSA-N 1 1 361.442 3.121 20 5 FGBDMO C[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000500439049 503625201 /nfs/dbraw/zinc/62/52/01/503625201.db2.gz HRPVFENRFXWAFF-CVEARBPZSA-N 1 1 353.422 3.330 20 5 FGBDMO C[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000500439049 503625203 /nfs/dbraw/zinc/62/52/03/503625203.db2.gz HRPVFENRFXWAFF-CVEARBPZSA-N 1 1 353.422 3.330 20 5 FGBDMO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000500440580 503625703 /nfs/dbraw/zinc/62/57/03/503625703.db2.gz WLLGPXGUBVXJBD-SJORKVTESA-N 1 1 367.449 3.259 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000517134739 503652619 /nfs/dbraw/zinc/65/26/19/503652619.db2.gz RWKFIUSJQANLES-KDOFPFPSSA-N 1 1 355.394 3.075 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000517134739 503652626 /nfs/dbraw/zinc/65/26/26/503652626.db2.gz RWKFIUSJQANLES-KDOFPFPSSA-N 1 1 355.394 3.075 20 5 FGBDMO CC(=O)NC1CCC([N@@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000543174275 503659735 /nfs/dbraw/zinc/65/97/35/503659735.db2.gz DDIHNDXAEUTCIY-UHFFFAOYSA-N 1 1 372.425 3.129 20 5 FGBDMO C[C@H]1Cc2ccccc2C[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000532979206 503684848 /nfs/dbraw/zinc/68/48/48/503684848.db2.gz UUZMSSVSAIXKEK-AWEZNQCLSA-N 1 1 367.405 3.340 20 5 FGBDMO CNC(=O)[C@H](C)C[N@@H+](C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000536706546 503690490 /nfs/dbraw/zinc/69/04/90/503690490.db2.gz RHEXBGSGWZJPKN-OAHLLOKOSA-N 1 1 370.453 3.177 20 5 FGBDMO Cc1ccc([C@@H]2CC[N@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)cc1 ZINC000543247969 503698246 /nfs/dbraw/zinc/69/82/46/503698246.db2.gz KTJNSWBDIDZOCK-YLJYHZDGSA-N 1 1 365.433 3.498 20 5 FGBDMO C[C@H](CNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000540334201 503740683 /nfs/dbraw/zinc/74/06/83/503740683.db2.gz XYNADRPFLILZBA-CVEARBPZSA-N 1 1 370.453 3.476 20 5 FGBDMO O=C1[C@H]([N@H+]2CC[C@H](Cc3ccccc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000533292783 503795106 /nfs/dbraw/zinc/79/51/06/503795106.db2.gz VZRREVPNFGAFAP-YLJYHZDGSA-N 1 1 365.433 3.265 20 5 FGBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000533296019 503797907 /nfs/dbraw/zinc/79/79/07/503797907.db2.gz RTVPDJWHJDCFFV-IAGOWNOFSA-N 1 1 363.458 3.367 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000533432399 503842403 /nfs/dbraw/zinc/84/24/03/503842403.db2.gz WWSNCGKDSFYGLM-KRWDZBQOSA-N 1 1 353.422 3.406 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000533511548 503871301 /nfs/dbraw/zinc/87/13/01/503871301.db2.gz ADPXOGVNBQZHDF-JZXOWHBKSA-N 1 1 374.485 3.179 20 5 FGBDMO CC[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000546816617 503889527 /nfs/dbraw/zinc/88/95/27/503889527.db2.gz VOSCNFSWYHWUCG-QGZVFWFLSA-N 1 1 371.412 3.471 20 5 FGBDMO CC[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000546816617 503889532 /nfs/dbraw/zinc/88/95/32/503889532.db2.gz VOSCNFSWYHWUCG-QGZVFWFLSA-N 1 1 371.412 3.471 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])c(NCc2ccccc2C[NH+]2CCOCC2)n1 ZINC000543791314 503895276 /nfs/dbraw/zinc/89/52/76/503895276.db2.gz DQJRHZQZLBMKPT-UHFFFAOYSA-N 1 1 356.426 3.051 20 5 FGBDMO COc1ccc(C[N@H+]2CCCN(c3nc(C)cc(C)c3[N+](=O)[O-])CC2)cc1 ZINC000543794615 503896275 /nfs/dbraw/zinc/89/62/75/503896275.db2.gz QOCQMNZCDPORBV-UHFFFAOYSA-N 1 1 370.453 3.328 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H](CO)CC(F)(F)F)cs2)c1 ZINC000533802968 503955256 /nfs/dbraw/zinc/95/52/56/503955256.db2.gz KBYDDPTWIFOQRS-JTQLQIEISA-N 1 1 361.345 3.121 20 5 FGBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000518410841 503977628 /nfs/dbraw/zinc/97/76/28/503977628.db2.gz YYGLFFTVSIZNTR-HNNXBMFYSA-N 1 1 362.474 3.024 20 5 FGBDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000541069018 503993979 /nfs/dbraw/zinc/99/39/79/503993979.db2.gz QQVOJMWOGLXWII-VBQJREDUSA-N 1 1 367.877 3.322 20 5 FGBDMO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000541069018 503993992 /nfs/dbraw/zinc/99/39/92/503993992.db2.gz QQVOJMWOGLXWII-VBQJREDUSA-N 1 1 367.877 3.322 20 5 FGBDMO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000541069018 503993997 /nfs/dbraw/zinc/99/39/97/503993997.db2.gz QQVOJMWOGLXWII-VBQJREDUSA-N 1 1 367.877 3.322 20 5 FGBDMO C[N@H+](Cc1ccc(Cl)s1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000544069981 503995473 /nfs/dbraw/zinc/99/54/73/503995473.db2.gz YKADZHRUEVBWOK-LLVKDONJSA-N 1 1 356.831 3.181 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3CCc4ccc(Cl)cc43)CC2)cn1 ZINC000544069935 503995556 /nfs/dbraw/zinc/99/55/56/503995556.db2.gz XCPZMTGJQXCAKO-QGZVFWFLSA-N 1 1 358.829 3.453 20 5 FGBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000518608697 504026849 /nfs/dbraw/zinc/02/68/49/504026849.db2.gz MLGWESHTZWRWFF-GASCZTMLSA-N 1 1 363.458 3.091 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cc(Cl)cc4c3OCC4)C2)nc1 ZINC000541223754 504049954 /nfs/dbraw/zinc/04/99/54/504049954.db2.gz KINDKVCTIHGIRQ-OAHLLOKOSA-N 1 1 374.828 3.265 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cc(Cl)cc4c3OCC4)C2)nc1 ZINC000541223754 504049957 /nfs/dbraw/zinc/04/99/57/504049957.db2.gz KINDKVCTIHGIRQ-OAHLLOKOSA-N 1 1 374.828 3.265 20 5 FGBDMO Cc1ccc([C@H]2CCC[C@@H]2[N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000534137180 504051896 /nfs/dbraw/zinc/05/18/96/504051896.db2.gz UFBAYLJGPTXUSS-MOPGFXCFSA-N 1 1 355.438 3.333 20 5 FGBDMO CCc1cc(N2CC[N@@H+](C)[C@H](C)[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000537823965 504054613 /nfs/dbraw/zinc/05/46/13/504054613.db2.gz WQZMPTPAGUARSN-ZIAGYGMSSA-N 1 1 355.442 3.143 20 5 FGBDMO Cc1ccccc1C[C@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000541347839 504099796 /nfs/dbraw/zinc/09/97/96/504099796.db2.gz SNODBBHBWFDXJK-RTBURBONSA-N 1 1 370.449 3.350 20 5 FGBDMO Cn1cc(C[N@@H+](C)CCc2ccccc2O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000544364473 504104129 /nfs/dbraw/zinc/10/41/29/504104129.db2.gz BDIUEZOEXCYYEZ-UHFFFAOYSA-N 1 1 366.421 3.375 20 5 FGBDMO CC(C)Oc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000534336747 504115492 /nfs/dbraw/zinc/11/54/92/504115492.db2.gz WETYSJZKAMGOEV-UHFFFAOYSA-N 1 1 356.426 3.099 20 5 FGBDMO CN(C)c1nccc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)n1 ZINC000544610212 504191069 /nfs/dbraw/zinc/19/10/69/504191069.db2.gz ZQUYTFXOCFFILA-UHFFFAOYSA-N 1 1 353.382 3.001 20 5 FGBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000544627036 504196465 /nfs/dbraw/zinc/19/64/65/504196465.db2.gz YVMCQHNCJDSILY-UHFFFAOYSA-N 1 1 352.410 3.318 20 5 FGBDMO CC[NH+](CC)CCO[C@@H]1CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000542120215 504370871 /nfs/dbraw/zinc/37/08/71/504370871.db2.gz OGYPEGZXTMRSMV-QGZVFWFLSA-N 1 1 372.469 3.389 20 5 FGBDMO CCC[N@H+](Cc1ccc(F)cc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000519908659 504380361 /nfs/dbraw/zinc/38/03/61/504380361.db2.gz JHEJZCRXAIMARC-GOSISDBHSA-N 1 1 362.401 3.386 20 5 FGBDMO C[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[N@H+]1CCC[C@@H](C)C1 ZINC000545163225 504381538 /nfs/dbraw/zinc/38/15/38/504381538.db2.gz BYDIVEKCNGCBSF-ZIAGYGMSSA-N 1 1 365.449 3.248 20 5 FGBDMO C[C@@H](C[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000542278672 504436380 /nfs/dbraw/zinc/43/63/80/504436380.db2.gz FYLHERPQIDGVGK-HNNXBMFYSA-N 1 1 362.451 3.104 20 5 FGBDMO C[C@@H](C[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000542278672 504436383 /nfs/dbraw/zinc/43/63/83/504436383.db2.gz FYLHERPQIDGVGK-HNNXBMFYSA-N 1 1 362.451 3.104 20 5 FGBDMO C[C@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[N@@H+](C)Cc1ccccc1 ZINC000535694352 504510472 /nfs/dbraw/zinc/51/04/72/504510472.db2.gz BZHIZONBARCQLH-CQSZACIVSA-N 1 1 366.421 3.326 20 5 FGBDMO CC(C)COc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000535785889 504544622 /nfs/dbraw/zinc/54/46/22/504544622.db2.gz KVTGOJSUSRMFIX-UHFFFAOYSA-N 1 1 370.453 3.347 20 5 FGBDMO CCOCc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000539378694 504547730 /nfs/dbraw/zinc/54/77/30/504547730.db2.gz CWAMNWXSRDBPEH-HNNXBMFYSA-N 1 1 371.437 3.098 20 5 FGBDMO C[N@H+]1Cc2ccccc2[C@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000536022145 504611101 /nfs/dbraw/zinc/61/11/01/504611101.db2.gz GHHKJBKKQYQEMQ-GOSISDBHSA-N 1 1 366.421 3.086 20 5 FGBDMO C[N@@H+]1Cc2ccccc2[C@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000536022145 504611106 /nfs/dbraw/zinc/61/11/06/504611106.db2.gz GHHKJBKKQYQEMQ-GOSISDBHSA-N 1 1 366.421 3.086 20 5 FGBDMO Cc1nc(NC(=O)[C@H](C)[N@H+](C)CCc2cccc([N+](=O)[O-])c2)sc1C ZINC000548928662 504624025 /nfs/dbraw/zinc/62/40/25/504624025.db2.gz ZKQYBNJGWGXMSG-LBPRGKRZSA-N 1 1 362.455 3.170 20 5 FGBDMO Cc1nc(NC(=O)[C@H](C)[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)sc1C ZINC000548928662 504624029 /nfs/dbraw/zinc/62/40/29/504624029.db2.gz ZKQYBNJGWGXMSG-LBPRGKRZSA-N 1 1 362.455 3.170 20 5 FGBDMO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000548933287 504626402 /nfs/dbraw/zinc/62/64/02/504626402.db2.gz ARDUXWCUFHIHBD-JKSUJKDBSA-N 1 1 367.449 3.435 20 5 FGBDMO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000548933287 504626403 /nfs/dbraw/zinc/62/64/03/504626403.db2.gz ARDUXWCUFHIHBD-JKSUJKDBSA-N 1 1 367.449 3.435 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@H]3CCc4ccccc4C3)C2)nc1 ZINC000542914867 504655886 /nfs/dbraw/zinc/65/58/86/504655886.db2.gz HXVOUBIAUSKSHX-YJBOKZPZSA-N 1 1 352.438 3.281 20 5 FGBDMO COc1ccc(NC(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000542958260 504672544 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O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000600941820 507202695 /nfs/dbraw/zinc/20/26/95/507202695.db2.gz KQTBUBYZEHOFFZ-OAHLLOKOSA-N 1 1 361.373 3.284 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC(OC[C@H]4CCOC4)CC3)c2c1 ZINC000601140825 507275578 /nfs/dbraw/zinc/27/55/78/507275578.db2.gz BRRJHFMQNQTPAF-AWEZNQCLSA-N 1 1 357.410 3.165 20 5 FGBDMO C[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H](O)C(F)(F)F ZINC000601151116 507279349 /nfs/dbraw/zinc/27/93/49/507279349.db2.gz PHNJCVMHAJAZHC-UFBFGSQYSA-N 1 1 361.345 3.120 20 5 FGBDMO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000598220009 507322775 /nfs/dbraw/zinc/32/27/75/507322775.db2.gz NIYNYWMQCYDLFW-AWEZNQCLSA-N 1 1 368.437 3.280 20 5 FGBDMO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000598218085 507322903 /nfs/dbraw/zinc/32/29/03/507322903.db2.gz FHTQCFWHQSKJRO-CYBMUJFWSA-N 1 1 356.426 3.213 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(CNC3CC[NH+]([C@@H]4CCOC4)CC3)o2)cc1 ZINC000594992919 507345232 /nfs/dbraw/zinc/34/52/32/507345232.db2.gz LHSBZECVBLKGAC-GOSISDBHSA-N 1 1 371.437 3.198 20 5 FGBDMO CCOc1ccc(NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[nH+]c1C ZINC000595001691 507348966 /nfs/dbraw/zinc/34/89/66/507348966.db2.gz VKICSRDPMSRUEL-UHFFFAOYSA-N 1 1 367.409 3.131 20 5 FGBDMO C[C@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000601414753 507358434 /nfs/dbraw/zinc/35/84/34/507358434.db2.gz HCYMZMGEGXGQOB-GOEBONIOSA-N 1 1 371.412 3.374 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000595038341 507363106 /nfs/dbraw/zinc/36/31/06/507363106.db2.gz LUVOHJXFPSLFAT-QWHCGFSZSA-N 1 1 373.384 3.199 20 5 FGBDMO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000595078719 507382643 /nfs/dbraw/zinc/38/26/43/507382643.db2.gz AJGRLIYDGNEQPJ-DOTOQJQBSA-N 1 1 374.485 3.309 20 5 FGBDMO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000595078719 507382648 /nfs/dbraw/zinc/38/26/48/507382648.db2.gz AJGRLIYDGNEQPJ-DOTOQJQBSA-N 1 1 374.485 3.309 20 5 FGBDMO COc1cc(C[N@H+]2CCCN3c4ccccc4C[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000584683480 507447450 /nfs/dbraw/zinc/44/74/50/507447450.db2.gz PGMCKONDXKKEJQ-INIZCTEOSA-N 1 1 371.412 3.380 20 5 FGBDMO Cc1noc(CN2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)c1[N+](=O)[O-] ZINC000595289634 507448774 /nfs/dbraw/zinc/44/87/74/507448774.db2.gz PHQUDPSJVHHOQR-UHFFFAOYSA-N 1 1 358.442 3.332 20 5 FGBDMO CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595298695 507453119 /nfs/dbraw/zinc/45/31/19/507453119.db2.gz RLLOSJFZDSXIQO-ZDUSSCGKSA-N 1 1 351.422 3.107 20 5 FGBDMO Cc1noc(C[N@@H+]2CCC[C@H]2Cn2c(C)nc3ccccc32)c1[N+](=O)[O-] ZINC000595387523 507479804 /nfs/dbraw/zinc/47/98/04/507479804.db2.gz CVXUVAXAYDMOQI-AWEZNQCLSA-N 1 1 355.398 3.214 20 5 FGBDMO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000598558077 507485239 /nfs/dbraw/zinc/48/52/39/507485239.db2.gz CFHMNBAYBCEVLJ-ZDUSSCGKSA-N 1 1 351.834 3.100 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[N@H+](CCc1ccccn1)[C@H]1CC[C@H](O)CC1 ZINC000592131307 507496903 /nfs/dbraw/zinc/49/69/03/507496903.db2.gz XBQRQGACQUSBNX-WGSAOQKQSA-N 1 1 355.438 3.338 20 5 FGBDMO C[C@H](NC(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000595484335 507525011 /nfs/dbraw/zinc/52/50/11/507525011.db2.gz ZKQOVJMQNJTGNR-KXBFYZLASA-N 1 1 368.437 3.230 20 5 FGBDMO Cc1noc(CN2C[C@H](C)[N@H+](Cc3ccccc3)[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000595557307 507559401 /nfs/dbraw/zinc/55/94/01/507559401.db2.gz GMQPRALFGCLBNH-IMJJTQAJSA-N 1 1 358.442 3.375 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC=C(c3ccc(O)cc3)CC1)OCCO2 ZINC000611253153 507581069 /nfs/dbraw/zinc/58/10/69/507581069.db2.gz AICIKWUFKCVASA-UHFFFAOYSA-N 1 1 368.389 3.361 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC=C(c3ccc(O)cc3)CC1)OCCO2 ZINC000611253153 507581077 /nfs/dbraw/zinc/58/10/77/507581077.db2.gz AICIKWUFKCVASA-UHFFFAOYSA-N 1 1 368.389 3.361 20 5 FGBDMO C[N@H+](CC(=O)N1CCCC1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000611253279 507582436 /nfs/dbraw/zinc/58/24/36/507582436.db2.gz SRBHRRCWBNIQPN-UHFFFAOYSA-N 1 1 359.451 3.378 20 5 FGBDMO C[N@@H+](CC(=O)N1CCCC1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000611253279 507582444 /nfs/dbraw/zinc/58/24/44/507582444.db2.gz SRBHRRCWBNIQPN-UHFFFAOYSA-N 1 1 359.451 3.378 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@@H](c3cccc(F)c3)C1)OCCO2 ZINC000611268921 507594427 /nfs/dbraw/zinc/59/44/27/507594427.db2.gz FYJAULYZXRGAQT-CQSZACIVSA-N 1 1 358.369 3.495 20 5 FGBDMO CCC[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@@H]1CCCCO1 ZINC000611268900 507594981 /nfs/dbraw/zinc/59/49/81/507594981.db2.gz BCPXADKEKJQWQL-HNNXBMFYSA-N 1 1 350.415 3.147 20 5 FGBDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1(C)C ZINC000611273743 507598353 /nfs/dbraw/zinc/59/83/53/507598353.db2.gz XHVQNAYAJSRTIM-IRXDYDNUSA-N 1 1 350.415 3.001 20 5 FGBDMO COc1ccccc1[C@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611273678 507599751 /nfs/dbraw/zinc/59/97/51/507599751.db2.gz OOTJWAXWANQSKP-AWEZNQCLSA-N 1 1 370.405 3.364 20 5 FGBDMO CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611274255 507599776 /nfs/dbraw/zinc/59/97/76/507599776.db2.gz SJGDWYWIJHLPLQ-KRWDZBQOSA-N 1 1 372.421 3.139 20 5 FGBDMO CC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611274255 507599781 /nfs/dbraw/zinc/59/97/81/507599781.db2.gz SJGDWYWIJHLPLQ-KRWDZBQOSA-N 1 1 372.421 3.139 20 5 FGBDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C12CCC2 ZINC000611286266 507604812 /nfs/dbraw/zinc/60/48/12/507604812.db2.gz WPOTWYQBUXICMH-ZWKOTPCHSA-N 1 1 362.426 3.146 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000611303460 507613361 /nfs/dbraw/zinc/61/33/61/507613361.db2.gz UWCXSADQJGHTAD-CQSZACIVSA-N 1 1 361.442 3.444 20 5 FGBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCc1ccc2cn[nH]c2c1 ZINC000585765428 507620519 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ZINC000304067542 713791153 /nfs/dbraw/zinc/79/11/53/713791153.db2.gz VWJDUWGZRVAIIX-HNNXBMFYSA-N 1 1 359.813 3.253 20 5 FGBDMO CC[N@H+]1C[C@@H](C)N(Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000769467005 723686525 /nfs/dbraw/zinc/68/65/25/723686525.db2.gz QGIYVYDWXZCIGT-NWDGAFQWSA-N 1 1 356.264 3.272 20 5 FGBDMO O=[N+]([O-])c1cc(F)cnc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164629139 719065562 /nfs/dbraw/zinc/06/55/62/719065562.db2.gz VXOVIUOAVXPNBO-QAPCUYQASA-N 1 1 356.401 3.230 20 5 FGBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164724686 720365690 /nfs/dbraw/zinc/36/56/90/720365690.db2.gz KNHZYJYYYVCYTF-CVEARBPZSA-N 1 1 373.844 3.200 20 5 FGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3nnc4n3CCC4)CC2)cc1Cl ZINC000783534504 724762223 /nfs/dbraw/zinc/76/22/23/724762223.db2.gz RWXMQDCRCWLWPB-UHFFFAOYSA-N 1 1 361.833 3.166 20 5 FGBDMO COC1CC[NH+](C(C)(C)CNCc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000783634893 724773590 /nfs/dbraw/zinc/77/35/90/724773590.db2.gz KVYJMPCIROEASP-UHFFFAOYSA-N 1 1 355.866 3.227 20 5 FGBDMO COCC[N@@H+](C)CCNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000726967819 722439805 /nfs/dbraw/zinc/43/98/05/722439805.db2.gz CHPRFNRNDDQVFD-UHFFFAOYSA-N 1 1 355.744 3.257 20 5 FGBDMO CCS[C@H]1CC[C@H]([N@@H+](C)Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000743399433 722566952 /nfs/dbraw/zinc/56/69/52/722566952.db2.gz LMBJSICGBHDRSO-GJZGRUSLSA-N 1 1 361.471 3.417 20 5 FGBDMO O=C(C[NH2+]Cc1csc([N+](=O)[O-])c1)Nc1ccc(Br)cc1 ZINC000748819818 722705732 /nfs/dbraw/zinc/70/57/32/722705732.db2.gz OKNGDEHCZPRDPX-UHFFFAOYSA-N 1 1 370.228 3.147 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000757100838 722974475 /nfs/dbraw/zinc/97/44/75/722974475.db2.gz IXKFKZHNXASNCW-CYBMUJFWSA-N 1 1 368.865 3.312 20 5 FGBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCC[N@H+](C(C)(C)C)CC1 ZINC000790264996 723119311 /nfs/dbraw/zinc/11/93/11/723119311.db2.gz HPNJWVBOQAQNPT-UHFFFAOYSA-N 1 1 369.849 3.345 20 5 FGBDMO C[N@H+]1CCCC[C@@H]1CCOC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790741720 723172318 /nfs/dbraw/zinc/17/23/18/723172318.db2.gz PYDUNZMKMUUNHM-GFCCVEGCSA-N 1 1 358.797 3.347 20 5 FGBDMO C[N@H+]1CCC[C@@H]2CN(c3cc(Br)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000765545602 723522780 /nfs/dbraw/zinc/52/27/80/723522780.db2.gz MBNGMQXXXUFZRD-DGCLKSJQSA-N 1 1 354.248 3.278 20 5 FGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)n1 ZINC000767874310 723637635 /nfs/dbraw/zinc/63/76/35/723637635.db2.gz DSQGWZZZOFHYRN-ZDUSSCGKSA-N 1 1 354.332 3.300 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C)C1 ZINC000769999588 723702865 /nfs/dbraw/zinc/70/28/65/723702865.db2.gz YEMBSLLKFDSBMM-SMDDNHRTSA-N 1 1 354.838 3.442 20 5 FGBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000770287575 723710412 /nfs/dbraw/zinc/71/04/12/723710412.db2.gz ZMQGGENAGUCNEC-RISCZKNCSA-N 1 1 355.232 3.358 20 5 FGBDMO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591544 724162984 /nfs/dbraw/zinc/16/29/84/724162984.db2.gz JQVVVSOUYGUCCT-ALRVBVLOSA-N 1 1 362.451 3.059 20 5 FGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)c2ccc(Br)cc2)cc1F ZINC000801539039 724311482 /nfs/dbraw/zinc/31/14/82/724311482.db2.gz TYURFCVJYGOWNF-AWEZNQCLSA-N 1 1 369.190 3.320 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000778287391 724318650 /nfs/dbraw/zinc/31/86/50/724318650.db2.gz KBRDYMWELGTFNQ-DOMZBBRYSA-N 1 1 355.385 3.018 20 5 FGBDMO CC[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCOC(C)(C)C1 ZINC000810043567 725284500 /nfs/dbraw/zinc/28/45/00/725284500.db2.gz XLYKHOXUBOVQCH-CYBMUJFWSA-N 1 1 369.849 3.466 20 5 FGBDMO O=C(C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])NCc1ccccc1 ZINC000811476115 725368075 /nfs/dbraw/zinc/36/80/75/725368075.db2.gz FPVNDKQXICTEKM-UHFFFAOYSA-N 1 1 368.220 3.308 20 5 FGBDMO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC[NH+](CC2CC2)CC1 ZINC000813417082 726872662 /nfs/dbraw/zinc/87/26/62/726872662.db2.gz ZGHBDPDZSIMJGG-UHFFFAOYSA-N 1 1 358.225 3.069 20 5 FGBDMO C[N@H+]1CCC[C@]2(CCN(c3ccc([N+](=O)[O-])cc3Br)C2)C1 ZINC000814909150 727010350 /nfs/dbraw/zinc/01/03/50/727010350.db2.gz IMRQWGXBZPJXHR-HNNXBMFYSA-N 1 1 354.248 3.279 20 5 FGBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)CCc3c(Cl)cccc3[N+](=O)[O-])C2)C1 ZINC000820608398 729009401 /nfs/dbraw/zinc/00/94/01/729009401.db2.gz IGLBQUFNENKEEU-GOSISDBHSA-N 1 1 365.861 3.125 20 5 FGBDMO Cc1cc(Cl)c(C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000825460693 729383985 /nfs/dbraw/zinc/38/39/85/729383985.db2.gz GDSWTSRITQFGBC-DGCLKSJQSA-N 1 1 353.850 3.407 20 5 FGBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000825504338 729385784 /nfs/dbraw/zinc/38/57/84/729385784.db2.gz YNHSCEYBIFYPNT-JTQLQIEISA-N 1 1 350.806 3.128 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cc1Cl ZINC000836758531 729968444 /nfs/dbraw/zinc/96/84/44/729968444.db2.gz AMESKMACNNLHHO-ZDUSSCGKSA-N 1 1 353.850 3.264 20 5 FGBDMO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000837004514 729986103 /nfs/dbraw/zinc/98/61/03/729986103.db2.gz HGMMZSQTXPLCGX-SNVBAGLBSA-N 1 1 360.241 3.458 20 5 FGBDMO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000840975256 730199707 /nfs/dbraw/zinc/19/97/07/730199707.db2.gz VAFQJJAAIOKGNQ-CQSZACIVSA-N 1 1 351.834 3.225 20 5 FGBDMO CC[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C(=O)NCc1cccs1 ZINC000842746558 730538588 /nfs/dbraw/zinc/53/85/88/730538588.db2.gz CIBKALFYEVSXOI-CQSZACIVSA-N 1 1 367.858 3.494 20 5 FGBDMO CC(C)Cn1nccc1C[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000883288188 737547611 /nfs/dbraw/zinc/54/76/11/737547611.db2.gz VCXFWGUAMPSCLO-UHFFFAOYSA-N 1 1 367.247 3.500 20 5 FGBDMO C[C@@H](CO)C1CC[NH+](Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000846056777 730924296 /nfs/dbraw/zinc/92/42/96/730924296.db2.gz AJXIMBNLRFTDSD-NSHDSACASA-N 1 1 357.248 3.198 20 5 FGBDMO Cn1c[nH+]cc1CCCN[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000846992594 731003363 /nfs/dbraw/zinc/00/33/63/731003363.db2.gz FEMRTJLASXYGCI-AWEZNQCLSA-N 1 1 360.311 3.293 20 5 FGBDMO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000847182315 731029888 /nfs/dbraw/zinc/02/98/88/731029888.db2.gz XHCISOSXCCYCPO-YPMHNXCESA-N 1 1 352.822 3.387 20 5 FGBDMO C[N@H+]1CC[C@@H](CCOC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000847827617 731098373 /nfs/dbraw/zinc/09/83/73/731098373.db2.gz VPELFRFDWOSAJF-LBPRGKRZSA-N 1 1 361.423 3.217 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)c(N2CCC([NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000858631217 732233572 /nfs/dbraw/zinc/23/35/72/732233572.db2.gz AUZVIZIUYSOJBX-UHFFFAOYSA-N 1 1 360.241 3.203 20 5 FGBDMO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cccc([N+](=O)[O-])c1Cl ZINC000862241833 732795698 /nfs/dbraw/zinc/79/56/98/732795698.db2.gz KWGLLXXAVDCZKI-ZDUSSCGKSA-N 1 1 351.834 3.100 20 5 FGBDMO CO[C@H]1CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)[C@@H](C)C1 ZINC000878554704 736886598 /nfs/dbraw/zinc/88/65/98/736886598.db2.gz HVFNCASMYHMPAU-JQWIXIFHSA-N 1 1 366.805 3.298 20 5 FGBDMO CO[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)[C@@H](C)C1 ZINC000878554704 736886600 /nfs/dbraw/zinc/88/66/00/736886600.db2.gz HVFNCASMYHMPAU-JQWIXIFHSA-N 1 1 366.805 3.298 20 5 FGBDMO CSCCC[N@H+](C)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878553845 736886611 /nfs/dbraw/zinc/88/66/11/736886611.db2.gz SYYIWWBGBQNXJD-UHFFFAOYSA-N 1 1 356.835 3.483 20 5 FGBDMO CSCCC[N@@H+](C)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878553845 736886613 /nfs/dbraw/zinc/88/66/13/736886613.db2.gz SYYIWWBGBQNXJD-UHFFFAOYSA-N 1 1 356.835 3.483 20 5 FGBDMO Cc1csc([C@H]2CC[N@H+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000880007370 737096842 /nfs/dbraw/zinc/09/68/42/737096842.db2.gz FYAQRUBWTITFHZ-ZDUSSCGKSA-N 1 1 360.439 3.096 20 5 FGBDMO Cc1csc([C@H]2CC[N@@H+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000880007370 737096844 /nfs/dbraw/zinc/09/68/44/737096844.db2.gz FYAQRUBWTITFHZ-ZDUSSCGKSA-N 1 1 360.439 3.096 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886819825 739306024 /nfs/dbraw/zinc/30/60/24/739306024.db2.gz XUFMGCKTMDKXPT-DOMZBBRYSA-N 1 1 355.232 3.358 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886819827 739306182 /nfs/dbraw/zinc/30/61/82/739306182.db2.gz XUFMGCKTMDKXPT-SWLSCSKDSA-N 1 1 355.232 3.358 20 5 FGBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000888288568 739497248 /nfs/dbraw/zinc/49/72/48/739497248.db2.gz QMVFIPPSQTVZNT-NWDGAFQWSA-N 1 1 352.822 3.305 20 5 FGBDMO COc1c(O)ccc(C[NH2+]Cc2cnccc2C(F)(F)F)c1[N+](=O)[O-] ZINC000895484196 742418187 /nfs/dbraw/zinc/41/81/87/742418187.db2.gz GHLNSPJFEAZWPB-UHFFFAOYSA-N 1 1 357.288 3.013 20 5 FGBDMO CCO/C=C\[C@@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000895713074 742445531 /nfs/dbraw/zinc/44/55/31/742445531.db2.gz IRDHJINUBVNOFP-CFHLNLSMSA-N 1 1 368.739 3.181 20 5 FGBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000907064154 744182992 /nfs/dbraw/zinc/18/29/92/744182992.db2.gz GURCZKWUHHOLQZ-WMLDXEAASA-N 1 1 365.861 3.124 20 5 FGBDMO COC(=O)CC1CC[NH+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CC1 ZINC000918732459 758360834 /nfs/dbraw/zinc/36/08/34/758360834.db2.gz KQRFFLQQNXBCFC-UHFFFAOYSA-N 1 1 365.411 3.105 20 5 FGBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(O)(Cc3ccccn3)CC2)c(Cl)c1 ZINC000930985695 760747000 /nfs/dbraw/zinc/74/70/00/760747000.db2.gz ZMNLSECTBLGMRY-UHFFFAOYSA-N 1 1 361.829 3.213 20 5 FGBDMO Cc1csc(C[C@@H]2CC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)n1 ZINC000933132100 761326302 /nfs/dbraw/zinc/32/63/02/761326302.db2.gz YZKJGNRQNRTZAT-LBPRGKRZSA-N 1 1 357.439 3.301 20 5 FGBDMO Cc1csc(C[C@@H]2CC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)n1 ZINC000933132100 761326311 /nfs/dbraw/zinc/32/63/11/761326311.db2.gz YZKJGNRQNRTZAT-LBPRGKRZSA-N 1 1 357.439 3.301 20 5 FGBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000933914145 761494863 /nfs/dbraw/zinc/49/48/63/761494863.db2.gz HSQNCALZUSPDDI-HIFRSBDPSA-N 1 1 363.483 3.404 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](CCc2ccccc2)CC1 ZINC000053666702 221046801 /nfs/dbraw/zinc/04/68/01/221046801.db2.gz VYROSZOGOIJWGK-UHFFFAOYSA-N 1 1 373.840 3.249 20 5 FGBDMO CC(=O)c1ccc(NC2CC[NH+](Cc3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000052447709 257345830 /nfs/dbraw/zinc/34/58/30/257345830.db2.gz FKUOSNFNBPXBNH-UHFFFAOYSA-N 1 1 354.410 3.269 20 5 FGBDMO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000570846281 505593954 /nfs/dbraw/zinc/59/39/54/505593954.db2.gz RXHIKZHJNRBKIS-KRWDZBQOSA-N 1 1 357.458 3.096 20 5 FGBDMO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[N@@H+](CC2CCC2)CC1 ZINC000571064629 505645370 /nfs/dbraw/zinc/64/53/70/505645370.db2.gz VACDXJLHZBJBOE-UHFFFAOYSA-N 1 1 351.834 3.196 20 5 FGBDMO O=C(C[N@H+]1CCC[C@H]1c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000028173635 493778293 /nfs/dbraw/zinc/77/82/93/493778293.db2.gz MXMGRSLVTAJMEP-SFHVURJKSA-N 1 1 351.406 3.321 20 5 FGBDMO CCOc1ccc(C[NH+]2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)cc1 ZINC000028620762 493794710 /nfs/dbraw/zinc/79/47/10/493794710.db2.gz YZYVQKMSCKIQFQ-UHFFFAOYSA-N 1 1 359.401 3.455 20 5 FGBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050580886 493922384 /nfs/dbraw/zinc/92/23/84/493922384.db2.gz YAFIUGCNAPMOCL-GDBMZVCRSA-N 1 1 372.450 3.075 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050579602 493922432 /nfs/dbraw/zinc/92/24/32/493922432.db2.gz DZZKCOKYPDFUAM-CYBMUJFWSA-N 1 1 374.466 3.323 20 5 FGBDMO Cc1cc(C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)ccc1[N+](=O)[O-] ZINC000031964633 493967943 /nfs/dbraw/zinc/96/79/43/493967943.db2.gz XBBHSWVBKWUMCE-ZDUSSCGKSA-N 1 1 359.451 3.141 20 5 FGBDMO Cc1cc(C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)ccc1[N+](=O)[O-] ZINC000031964633 493967950 /nfs/dbraw/zinc/96/79/50/493967950.db2.gz XBBHSWVBKWUMCE-ZDUSSCGKSA-N 1 1 359.451 3.141 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+](Cc2cccc(F)c2)C2CC2)c1 ZINC000051425570 493969081 /nfs/dbraw/zinc/96/90/81/493969081.db2.gz FDZCMIDBKBAGHP-GOSISDBHSA-N 1 1 360.385 3.138 20 5 FGBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@@H]1OCCc2ccccc21 ZINC000083170149 494002537 /nfs/dbraw/zinc/00/25/37/494002537.db2.gz ORFBTNGVXSATSC-SFHVURJKSA-N 1 1 353.378 3.482 20 5 FGBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@@H]1OCCc2ccccc21 ZINC000083170149 494002541 /nfs/dbraw/zinc/00/25/41/494002541.db2.gz ORFBTNGVXSATSC-SFHVURJKSA-N 1 1 353.378 3.482 20 5 FGBDMO C[C@@H]1CN(Cc2ccccc2C[NH2+]Cc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000069833328 494020965 /nfs/dbraw/zinc/02/09/65/494020965.db2.gz SZWPOYKJMDZFKX-CALCHBBNSA-N 1 1 369.465 3.494 20 5 FGBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000063097800 494028886 /nfs/dbraw/zinc/02/88/86/494028886.db2.gz HRXISIRTAQHOKR-OKILXGFUSA-N 1 1 363.458 3.090 20 5 FGBDMO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]2c2cccn2C)cccc1[N+](=O)[O-] ZINC000063482874 494058940 /nfs/dbraw/zinc/05/89/40/494058940.db2.gz NRSJFBAWJPJHDY-SFHVURJKSA-N 1 1 356.426 3.407 20 5 FGBDMO COc1ccc(NC(=O)C[N@@H+](C)CCCc2ccccc2)c([N+](=O)[O-])c1 ZINC000052802429 494062507 /nfs/dbraw/zinc/06/25/07/494062507.db2.gz GQIBVFYQBWOLRC-UHFFFAOYSA-N 1 1 357.410 3.107 20 5 FGBDMO CN(C(=O)C[N@@H+]1CCC[C@H]1Cc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000053076317 494089772 /nfs/dbraw/zinc/08/97/72/494089772.db2.gz PMSYVNANKFUMNI-IBGZPJMESA-N 1 1 371.412 3.404 20 5 FGBDMO CN(C(=O)C[N@H+]1CCC[C@H]1Cc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000053076317 494089775 /nfs/dbraw/zinc/08/97/75/494089775.db2.gz PMSYVNANKFUMNI-IBGZPJMESA-N 1 1 371.412 3.404 20 5 FGBDMO CC(C)NC(=O)c1ccc(NCC[N@@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000053582822 494149823 /nfs/dbraw/zinc/14/98/23/494149823.db2.gz PYRJYUUVIBJBFS-UHFFFAOYSA-N 1 1 370.453 3.277 20 5 FGBDMO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc([N+](=O)[O-])o1 ZINC000041597607 494170269 /nfs/dbraw/zinc/17/02/69/494170269.db2.gz YISAMGQDUOAIKZ-CQSZACIVSA-N 1 1 363.801 3.408 20 5 FGBDMO CCOC(=O)c1ccnc(NCc2cccc(C[N@@H+](C)CC)c2)c1[N+](=O)[O-] ZINC000077932566 494204395 /nfs/dbraw/zinc/20/43/95/494204395.db2.gz ORQQVFXOXAILFD-UHFFFAOYSA-N 1 1 372.425 3.230 20 5 FGBDMO Cc1cccc(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000054227572 494209907 /nfs/dbraw/zinc/20/99/07/494209907.db2.gz PBZAJWRVGIDWEX-RDJZCZTQSA-N 1 1 353.422 3.469 20 5 FGBDMO Cc1ccc(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000054227199 494210181 /nfs/dbraw/zinc/21/01/81/494210181.db2.gz PEKIKHUQTHUYNH-YJBOKZPZSA-N 1 1 353.422 3.469 20 5 FGBDMO CC(C)COC1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000054322286 494221186 /nfs/dbraw/zinc/22/11/86/494221186.db2.gz QWFCLSYQTAVRHW-UHFFFAOYSA-N 1 1 350.415 3.098 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000072716037 494238683 /nfs/dbraw/zinc/23/86/83/494238683.db2.gz RESFOOXXDMPHGI-KRWDZBQOSA-N 1 1 361.442 3.265 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CCS[C@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000072836491 494262028 /nfs/dbraw/zinc/26/20/28/494262028.db2.gz SMIWJPWIBPONGL-INIZCTEOSA-N 1 1 351.472 3.305 20 5 FGBDMO CCOc1cc(NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000089644040 494338407 /nfs/dbraw/zinc/33/84/07/494338407.db2.gz CVKCEVRRBIITEE-ZWKOTPCHSA-N 1 1 371.437 3.041 20 5 FGBDMO O=C(c1csc([N+](=O)[O-])c1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000045033876 494393483 /nfs/dbraw/zinc/39/34/83/494393483.db2.gz ZPYGWJHWOKCMPP-UHFFFAOYSA-N 1 1 363.414 3.144 20 5 FGBDMO O=C(c1csc([N+](=O)[O-])c1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000045033876 494393487 /nfs/dbraw/zinc/39/34/87/494393487.db2.gz ZPYGWJHWOKCMPP-UHFFFAOYSA-N 1 1 363.414 3.144 20 5 FGBDMO Cc1c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000018185841 494427888 /nfs/dbraw/zinc/42/78/88/494427888.db2.gz FWXBDLKEUBIKGA-QGZVFWFLSA-N 1 1 357.410 3.453 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCc3ccc(Cl)cc3C2)c1 ZINC000090615590 494487411 /nfs/dbraw/zinc/48/74/11/494487411.db2.gz YQSSDAZTPNNPIX-QGZVFWFLSA-N 1 1 362.813 3.046 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCc3ccc(Cl)cc3C2)c1 ZINC000090615590 494487414 /nfs/dbraw/zinc/48/74/14/494487414.db2.gz YQSSDAZTPNNPIX-QGZVFWFLSA-N 1 1 362.813 3.046 20 5 FGBDMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000067386549 494528414 /nfs/dbraw/zinc/52/84/14/494528414.db2.gz NEGWVIUDLRRDGQ-HNNXBMFYSA-N 1 1 367.409 3.247 20 5 FGBDMO O=[N+]([O-])c1c(NCCC[N@H+]2CCc3ccccc3C2)nc2sccn21 ZINC000046479002 494530784 /nfs/dbraw/zinc/53/07/84/494530784.db2.gz UVDJZUAQIQLFOK-UHFFFAOYSA-N 1 1 357.439 3.164 20 5 FGBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)COc1ccc(Cl)cc1 ZINC000046599333 494539829 /nfs/dbraw/zinc/53/98/29/494539829.db2.gz VSLAABMASMLYBS-HNNXBMFYSA-N 1 1 350.802 3.120 20 5 FGBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)COc1ccc(Cl)cc1 ZINC000046599333 494539833 /nfs/dbraw/zinc/53/98/33/494539833.db2.gz VSLAABMASMLYBS-HNNXBMFYSA-N 1 1 350.802 3.120 20 5 FGBDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000046715189 494555875 /nfs/dbraw/zinc/55/58/75/494555875.db2.gz SQDLGTNPYNTVPB-AWEZNQCLSA-N 1 1 357.410 3.492 20 5 FGBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000057006237 494614825 /nfs/dbraw/zinc/61/48/25/494614825.db2.gz IXKXHTYMYJBCJX-UHFFFAOYSA-N 1 1 368.437 3.012 20 5 FGBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000067736209 494628530 /nfs/dbraw/zinc/62/85/30/494628530.db2.gz WLXRDSSYSOBWAQ-NSHDSACASA-N 1 1 372.372 3.048 20 5 FGBDMO CCc1nn(C)c(N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1[N+](=O)[O-] ZINC000091742418 494664939 /nfs/dbraw/zinc/66/49/39/494664939.db2.gz VNZQPCUUBZFAEF-OAHLLOKOSA-N 1 1 363.506 3.372 20 5 FGBDMO COc1cc(F)c([N+](=O)[O-])c(Nc2ccc(N3CCOCC3)[nH+]c2C)c1 ZINC000092686310 494712740 /nfs/dbraw/zinc/71/27/40/494712740.db2.gz MXOJHJLXCBIUIO-UHFFFAOYSA-N 1 1 362.361 3.026 20 5 FGBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000126414075 494741588 /nfs/dbraw/zinc/74/15/88/494741588.db2.gz SCSCFTKNMIPPQV-AWEZNQCLSA-N 1 1 370.453 3.383 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]CC1(O)CCC(C)(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000574293015 505739586 /nfs/dbraw/zinc/73/95/86/505739586.db2.gz WCYSCGGAGZORCO-KRWDZBQOSA-N 1 1 372.469 3.339 20 5 FGBDMO COc1cccc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000026175750 494805837 /nfs/dbraw/zinc/80/58/37/494805837.db2.gz YKAOGIKKMSLPST-CQSZACIVSA-N 1 1 357.410 3.371 20 5 FGBDMO COc1cccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000026175750 494805844 /nfs/dbraw/zinc/80/58/44/494805844.db2.gz YKAOGIKKMSLPST-CQSZACIVSA-N 1 1 357.410 3.371 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1ccc(C)cc1 ZINC000026224393 494810894 /nfs/dbraw/zinc/81/08/94/494810894.db2.gz FOTFGANUKBGPDS-UHFFFAOYSA-N 1 1 357.410 3.372 20 5 FGBDMO COc1ccc(C[N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000026225009 494811418 /nfs/dbraw/zinc/81/14/18/494811418.db2.gz VJCHENJKUCHYGB-UHFFFAOYSA-N 1 1 373.409 3.073 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)CCSC)c([N+](=O)[O-])c1 ZINC000126655446 494811789 /nfs/dbraw/zinc/81/17/89/494811789.db2.gz ARJIOJGYMFAGOS-LBPRGKRZSA-N 1 1 355.460 3.005 20 5 FGBDMO CN(C)CC[NH+]1CCC(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000075669257 494812153 /nfs/dbraw/zinc/81/21/53/494812153.db2.gz DWJYHOIPGOJFBY-UHFFFAOYSA-N 1 1 360.380 3.052 20 5 FGBDMO CCOCCC[N@H+]1CC[C@@H](Nc2c(F)cc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000121733645 494848446 /nfs/dbraw/zinc/84/84/46/494848446.db2.gz KXZWUDDLJVKFDY-MLGOLLRUSA-N 1 1 357.401 3.422 20 5 FGBDMO Cc1ccc(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1[N+](=O)[O-] ZINC000121771001 494856888 /nfs/dbraw/zinc/85/68/88/494856888.db2.gz UBUIENQERHIFOZ-INIZCTEOSA-N 1 1 351.410 3.326 20 5 FGBDMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000027333912 494861905 /nfs/dbraw/zinc/86/19/05/494861905.db2.gz GVROSWFTZDNRHP-OAHLLOKOSA-N 1 1 363.801 3.408 20 5 FGBDMO CCCO[C@@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000093317166 494867467 /nfs/dbraw/zinc/86/74/67/494867467.db2.gz GPDAVBICMJMKPW-OAHLLOKOSA-N 1 1 352.431 3.393 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+](CCO)CCc2ccccc2)c1 ZINC000093389889 494884816 /nfs/dbraw/zinc/88/48/16/494884816.db2.gz HPHIRNRDRCNVQN-UHFFFAOYSA-N 1 1 366.364 3.233 20 5 FGBDMO Cn1cc(C[N@@H+]2CCOC3(CCCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093588810 494901902 /nfs/dbraw/zinc/90/19/02/494901902.db2.gz XIQZURCYBKQIBI-UHFFFAOYSA-N 1 1 356.426 3.140 20 5 FGBDMO Cn1cc(C[N@H+]2CCOC3(CCCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093588810 494901906 /nfs/dbraw/zinc/90/19/06/494901906.db2.gz XIQZURCYBKQIBI-UHFFFAOYSA-N 1 1 356.426 3.140 20 5 FGBDMO CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000093687999 494912371 /nfs/dbraw/zinc/91/23/71/494912371.db2.gz BDLPIRVGQUPEQJ-QGZVFWFLSA-N 1 1 374.437 3.385 20 5 FGBDMO CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000093687999 494912372 /nfs/dbraw/zinc/91/23/72/494912372.db2.gz BDLPIRVGQUPEQJ-QGZVFWFLSA-N 1 1 374.437 3.385 20 5 FGBDMO CC[C@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccccc1 ZINC000577548194 505749508 /nfs/dbraw/zinc/74/95/08/505749508.db2.gz XQOWTRWRXNTIOW-LJQANCHMSA-N 1 1 371.437 3.000 20 5 FGBDMO COCC[N@@H+](C)CCCC1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000122147913 494931637 /nfs/dbraw/zinc/93/16/37/494931637.db2.gz IAVCTWLNSIKXSN-UHFFFAOYSA-N 1 1 367.465 3.304 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000122437230 494975006 /nfs/dbraw/zinc/97/50/06/494975006.db2.gz KLSIMRWUTFDLIK-GFCCVEGCSA-N 1 1 373.409 3.421 20 5 FGBDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000110506596 494985005 /nfs/dbraw/zinc/98/50/05/494985005.db2.gz XQDVSOJYSYRRBI-CQSZACIVSA-N 1 1 357.385 3.080 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000110506596 494985009 /nfs/dbraw/zinc/98/50/09/494985009.db2.gz XQDVSOJYSYRRBI-CQSZACIVSA-N 1 1 357.385 3.080 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000110543244 494988087 /nfs/dbraw/zinc/98/80/87/494988087.db2.gz FMIGZWWPUYUYBA-PBHICJAKSA-N 1 1 354.410 3.108 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000110543244 494988091 /nfs/dbraw/zinc/98/80/91/494988091.db2.gz FMIGZWWPUYUYBA-PBHICJAKSA-N 1 1 354.410 3.108 20 5 FGBDMO Cc1nc2c(s1)[C@H]([N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000111312736 495063690 /nfs/dbraw/zinc/06/36/90/495063690.db2.gz YBCSYZRXDKOXFF-MRXNPFEDSA-N 1 1 374.466 3.332 20 5 FGBDMO Cc1nc2c(s1)[C@H]([N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000111312736 495063693 /nfs/dbraw/zinc/06/36/93/495063693.db2.gz YBCSYZRXDKOXFF-MRXNPFEDSA-N 1 1 374.466 3.332 20 5 FGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000118997145 495066718 /nfs/dbraw/zinc/06/67/18/495066718.db2.gz HWNFCIQCSWQANK-GFCCVEGCSA-N 1 1 361.833 3.166 20 5 FGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000118997145 495066721 /nfs/dbraw/zinc/06/67/21/495066721.db2.gz HWNFCIQCSWQANK-GFCCVEGCSA-N 1 1 361.833 3.166 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000134208378 495121449 /nfs/dbraw/zinc/12/14/49/495121449.db2.gz QWPQNHUKYOTHIU-LIRRHRJNSA-N 1 1 369.421 3.166 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000134208378 495121451 /nfs/dbraw/zinc/12/14/51/495121451.db2.gz QWPQNHUKYOTHIU-LIRRHRJNSA-N 1 1 369.421 3.166 20 5 FGBDMO CCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)CC1CC1 ZINC000129291477 495223452 /nfs/dbraw/zinc/22/34/52/495223452.db2.gz MIGRUBGHLMELIY-UHFFFAOYSA-N 1 1 370.247 3.418 20 5 FGBDMO CC(C)(CO)[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1 ZINC000580483878 505768952 /nfs/dbraw/zinc/76/89/52/505768952.db2.gz VCRRTICGISOFMR-LJQANCHMSA-N 1 1 372.421 3.311 20 5 FGBDMO Cc1ccc(NC(=O)C2CC[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC2)nc1 ZINC000103469539 495237525 /nfs/dbraw/zinc/23/75/25/495237525.db2.gz GIGBRJCDCJFAJR-UHFFFAOYSA-N 1 1 372.400 3.288 20 5 FGBDMO O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000119809444 495246576 /nfs/dbraw/zinc/24/65/76/495246576.db2.gz ZFNWFDJRKXWKLG-INIZCTEOSA-N 1 1 357.454 3.134 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000119889400 495262693 /nfs/dbraw/zinc/26/26/93/495262693.db2.gz NPBUCBKLFISCEG-CQSZACIVSA-N 1 1 358.442 3.461 20 5 FGBDMO Cc1sc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000119991401 495284526 /nfs/dbraw/zinc/28/45/26/495284526.db2.gz GBUVKXKNJBVXPD-WFASDCNBSA-N 1 1 359.451 3.215 20 5 FGBDMO Cc1c(CC(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000129889935 495310583 /nfs/dbraw/zinc/31/05/83/495310583.db2.gz VMEBOCYSQLMALG-KXBFYZLASA-N 1 1 367.449 3.225 20 5 FGBDMO C[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC[N@H+]1C ZINC000124803869 495345752 /nfs/dbraw/zinc/34/57/52/495345752.db2.gz TYJRSPDMKOGFSK-HZPDHXFCSA-N 1 1 374.485 3.140 20 5 FGBDMO O=C(CC[N@@H+]1CCc2c(F)cc(F)cc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000120449498 495381675 /nfs/dbraw/zinc/38/16/75/495381675.db2.gz KQUFBZYHXNACLW-UHFFFAOYSA-N 1 1 361.348 3.260 20 5 FGBDMO O=C(CC[N@H+]1CCc2c(F)cc(F)cc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000120449498 495381679 /nfs/dbraw/zinc/38/16/79/495381679.db2.gz KQUFBZYHXNACLW-UHFFFAOYSA-N 1 1 361.348 3.260 20 5 FGBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)c([N+](=O)[O-])c1 ZINC000114495446 495385897 /nfs/dbraw/zinc/38/58/97/495385897.db2.gz XQCVNUREMQTTSD-IBGZPJMESA-N 1 1 359.426 3.364 20 5 FGBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@]3(CC=CCC3)C2)c([N+](=O)[O-])c1 ZINC000114495446 495385898 /nfs/dbraw/zinc/38/58/98/495385898.db2.gz XQCVNUREMQTTSD-IBGZPJMESA-N 1 1 359.426 3.364 20 5 FGBDMO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C[N@H+]1Cc1ccccc1 ZINC000137520392 495443246 /nfs/dbraw/zinc/44/32/46/495443246.db2.gz VBLFXFWJOUNVAJ-UKRRQHHQSA-N 1 1 357.385 3.127 20 5 FGBDMO CC(C)c1ccc([C@@H]2CCC[N@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000125553211 495462171 /nfs/dbraw/zinc/46/21/71/495462171.db2.gz LERZWLIRTSQYEE-OALUTQOASA-N 1 1 358.442 3.113 20 5 FGBDMO CCOc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000115131889 495466143 /nfs/dbraw/zinc/46/61/43/495466143.db2.gz NHVUVSNSYQSELM-INIZCTEOSA-N 1 1 373.409 3.153 20 5 FGBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000125589855 495467534 /nfs/dbraw/zinc/46/75/34/495467534.db2.gz FABCBVMUXBSIHR-UHFFFAOYSA-N 1 1 355.438 3.296 20 5 FGBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000130950744 495471016 /nfs/dbraw/zinc/47/10/16/495471016.db2.gz RHMZRECUQIIRGZ-IAGOWNOFSA-N 1 1 374.828 3.127 20 5 FGBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000130950744 495471021 /nfs/dbraw/zinc/47/10/21/495471021.db2.gz RHMZRECUQIIRGZ-IAGOWNOFSA-N 1 1 374.828 3.127 20 5 FGBDMO CCC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@@H]1CCCCO1 ZINC000106866124 495503958 /nfs/dbraw/zinc/50/39/58/495503958.db2.gz GTUAWKRYFWDBDP-INIZCTEOSA-N 1 1 360.414 3.426 20 5 FGBDMO CCC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@@H]1CCCCO1 ZINC000106866124 495503961 /nfs/dbraw/zinc/50/39/61/495503961.db2.gz GTUAWKRYFWDBDP-INIZCTEOSA-N 1 1 360.414 3.426 20 5 FGBDMO C[NH+](C)[C@@H](C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)c1ccc(Cl)cc1 ZINC000580567014 505787709 /nfs/dbraw/zinc/78/77/09/505787709.db2.gz MIAFEHKITWSIHG-GOSISDBHSA-N 1 1 373.840 3.436 20 5 FGBDMO CC(=O)N1CC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)c2ccc(F)cc2C1 ZINC000185356028 495545653 /nfs/dbraw/zinc/54/56/53/495545653.db2.gz RZNVYQZBRBQLNU-INIZCTEOSA-N 1 1 363.414 3.379 20 5 FGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)n1 ZINC000176244285 495561470 /nfs/dbraw/zinc/56/14/70/495561470.db2.gz NPHSPAIOLBMWLX-INIZCTEOSA-N 1 1 366.425 3.061 20 5 FGBDMO Cc1ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000179463417 495601415 /nfs/dbraw/zinc/60/14/15/495601415.db2.gz ZCLSJXCRYIDHBI-SJLPKXTDSA-N 1 1 354.410 3.470 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179473435 495605049 /nfs/dbraw/zinc/60/50/49/495605049.db2.gz PHFUCKLNIAVPKU-FUHWJXTLSA-N 1 1 354.410 3.470 20 5 FGBDMO Cc1ccc(C[N@H+](C)Cc2ccccc2N2CCOCC2)cc1[N+](=O)[O-] ZINC000179762044 495723844 /nfs/dbraw/zinc/72/38/44/495723844.db2.gz RYCMURQSIYZONY-UHFFFAOYSA-N 1 1 355.438 3.372 20 5 FGBDMO C[C@@H](Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000183007051 495795617 /nfs/dbraw/zinc/79/56/17/495795617.db2.gz KCQAJQVFVWGXGB-AUUYWEPGSA-N 1 1 368.437 3.218 20 5 FGBDMO CC[N@@H+](Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000179974956 495806901 /nfs/dbraw/zinc/80/69/01/495806901.db2.gz VGWWLTYSYSSOBB-ZDUSSCGKSA-N 1 1 374.384 3.248 20 5 FGBDMO CC[N@H+](Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000179974956 495806902 /nfs/dbraw/zinc/80/69/02/495806902.db2.gz VGWWLTYSYSSOBB-ZDUSSCGKSA-N 1 1 374.384 3.248 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1Cc2ccccc2-c2ccccc2C1 ZINC000159792165 495810221 /nfs/dbraw/zinc/81/02/21/495810221.db2.gz AVLZWYHWAYCEJS-UHFFFAOYSA-N 1 1 361.401 3.439 20 5 FGBDMO COCCOC[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000180009181 495821259 /nfs/dbraw/zinc/82/12/59/495821259.db2.gz BNSRGXKIYFFLES-HNNXBMFYSA-N 1 1 360.410 3.340 20 5 FGBDMO CSc1cccc(C(=O)NCC[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000186079322 495847775 /nfs/dbraw/zinc/84/77/75/495847775.db2.gz RODZBECHKCHDNA-UHFFFAOYSA-N 1 1 371.462 3.105 20 5 FGBDMO CSc1cccc(C(=O)NCC[N@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000186079322 495847781 /nfs/dbraw/zinc/84/77/81/495847781.db2.gz RODZBECHKCHDNA-UHFFFAOYSA-N 1 1 371.462 3.105 20 5 FGBDMO CC(C)(C)C(=O)N1CCC(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000160126640 495890047 /nfs/dbraw/zinc/89/00/47/495890047.db2.gz NKZQQMUXMGJSLR-UHFFFAOYSA-N 1 1 359.470 3.238 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000183243594 495895406 /nfs/dbraw/zinc/89/54/06/495895406.db2.gz SNQBZSAQCOJVBQ-UHFFFAOYSA-N 1 1 355.438 3.372 20 5 FGBDMO Cn1ccnc1[C@H](NC[C@@H]1CCCC[N@H+]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000577878061 505810550 /nfs/dbraw/zinc/81/05/50/505810550.db2.gz HXBFRZSRQRLBSR-RBUKOAKNSA-N 1 1 369.469 3.024 20 5 FGBDMO COCC[N@H+](Cc1ccccc1)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000160445847 495965858 /nfs/dbraw/zinc/96/58/58/495965858.db2.gz FCEPWZSILCYBTQ-UHFFFAOYSA-N 1 1 360.410 3.261 20 5 FGBDMO COCC[N@@H+](Cc1ccccc1)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000160445847 495965861 /nfs/dbraw/zinc/96/58/61/495965861.db2.gz FCEPWZSILCYBTQ-UHFFFAOYSA-N 1 1 360.410 3.261 20 5 FGBDMO CO[C@@]1(C)C[C@@H]([N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000174482324 495978924 /nfs/dbraw/zinc/97/89/24/495978924.db2.gz JNPAHJQYGQRJRB-KDOFPFPSSA-N 1 1 360.414 3.280 20 5 FGBDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000174482324 495978929 /nfs/dbraw/zinc/97/89/29/495978929.db2.gz JNPAHJQYGQRJRB-KDOFPFPSSA-N 1 1 360.414 3.280 20 5 FGBDMO C[N@@H+](CCNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CCCC1 ZINC000151900982 495987658 /nfs/dbraw/zinc/98/76/58/495987658.db2.gz LKYRODFICPMQFS-UHFFFAOYSA-N 1 1 360.458 3.143 20 5 FGBDMO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000155604973 496010096 /nfs/dbraw/zinc/01/00/96/496010096.db2.gz RRDJAAISIIMDGB-HNNXBMFYSA-N 1 1 357.410 3.203 20 5 FGBDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)nc1 ZINC000174606575 496030359 /nfs/dbraw/zinc/03/03/59/496030359.db2.gz SDFIJWFZSKOJES-CQSZACIVSA-N 1 1 372.400 3.288 20 5 FGBDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)nc1 ZINC000174606575 496030363 /nfs/dbraw/zinc/03/03/63/496030363.db2.gz SDFIJWFZSKOJES-CQSZACIVSA-N 1 1 372.400 3.288 20 5 FGBDMO C[C@H](CCNC(=O)Nc1ccncc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000183597419 496043405 /nfs/dbraw/zinc/04/34/05/496043405.db2.gz GRRJZZHQHWPURD-CQSZACIVSA-N 1 1 357.414 3.022 20 5 FGBDMO O=c1[nH]c(CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)nc2ccccc21 ZINC000155714584 496045099 /nfs/dbraw/zinc/04/50/99/496045099.db2.gz OWNDPKNKXKMLHO-UHFFFAOYSA-N 1 1 364.405 3.038 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000186783858 496150256 /nfs/dbraw/zinc/15/02/56/496150256.db2.gz NTSJFQHVXUVNJH-UHFFFAOYSA-N 1 1 362.430 3.086 20 5 FGBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000174937837 496173638 /nfs/dbraw/zinc/17/36/38/496173638.db2.gz GMAUJTYLSOZRMY-QGZVFWFLSA-N 1 1 353.422 3.189 20 5 FGBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000175015792 496209005 /nfs/dbraw/zinc/20/90/05/496209005.db2.gz BCYBAOHFRVACDV-IIAWOOMASA-N 1 1 363.483 3.161 20 5 FGBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)cc2)C1 ZINC000186938453 496220318 /nfs/dbraw/zinc/22/03/18/496220318.db2.gz ZLQKZKASZIMBHV-CYBMUJFWSA-N 1 1 370.409 3.180 20 5 FGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000580741096 505826886 /nfs/dbraw/zinc/82/68/86/505826886.db2.gz JMMAHLOTOHIDPY-PTNGSMBKSA-N 1 1 356.401 3.354 20 5 FGBDMO CCOc1ccc(C(=O)N2CCC([N@H+]3CCC[C@H]3C)CC2)cc1[N+](=O)[O-] ZINC000152698056 496229650 /nfs/dbraw/zinc/22/96/50/496229650.db2.gz QMMIMOIOXVKXDH-CQSZACIVSA-N 1 1 361.442 3.082 20 5 FGBDMO Cc1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000156387800 496231812 /nfs/dbraw/zinc/23/18/12/496231812.db2.gz KCFAERHSEYDLHQ-RHSMWYFYSA-N 1 1 358.442 3.384 20 5 FGBDMO O=C(NC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC000178063100 496311859 /nfs/dbraw/zinc/31/18/59/496311859.db2.gz OBYVMHOPKBCWMY-KRWDZBQOSA-N 1 1 353.422 3.237 20 5 FGBDMO CSc1ccc(C(=O)Nc2c[nH+]ccc2-n2cc(C)cn2)cc1[N+](=O)[O-] ZINC000156692329 496312417 /nfs/dbraw/zinc/31/24/17/496312417.db2.gz XLIHPCSNRJQDJS-UHFFFAOYSA-N 1 1 369.406 3.458 20 5 FGBDMO COc1cc(C[N@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)c([N+](=O)[O-])cc1F ZINC000184287774 496321083 /nfs/dbraw/zinc/32/10/83/496321083.db2.gz AGBKBPJKOYKQAE-ZIAGYGMSSA-N 1 1 370.446 3.229 20 5 FGBDMO COc1cc(C[N@@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)c([N+](=O)[O-])cc1F ZINC000184287774 496321087 /nfs/dbraw/zinc/32/10/87/496321087.db2.gz AGBKBPJKOYKQAE-ZIAGYGMSSA-N 1 1 370.446 3.229 20 5 FGBDMO C[C@@]1(CNC(=O)Cc2cccc([N+](=O)[O-])c2)CCC[N@H+]1Cc1ccccc1 ZINC000162315831 496334361 /nfs/dbraw/zinc/33/43/61/496334361.db2.gz KSWRHPUMFVOROB-NRFANRHFSA-N 1 1 367.449 3.308 20 5 FGBDMO Cc1cc[nH+]c(N2CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CC2)c1 ZINC000153055245 496338051 /nfs/dbraw/zinc/33/80/51/496338051.db2.gz SHTWWWDGUXAQLY-UHFFFAOYSA-N 1 1 364.352 3.226 20 5 FGBDMO Cc1ccc([C@@H](C)NC(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000175541431 496433994 /nfs/dbraw/zinc/43/39/94/496433994.db2.gz OOQITXWUHNOMOB-CZUORRHYSA-N 1 1 360.414 3.159 20 5 FGBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000172832573 496453440 /nfs/dbraw/zinc/45/34/40/496453440.db2.gz GIHGAEYIBGUWNT-QGZVFWFLSA-N 1 1 374.485 3.141 20 5 FGBDMO Cc1csc([C@@H]([NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000181614915 496470645 /nfs/dbraw/zinc/47/06/45/496470645.db2.gz PALFUDJCARSIFD-ABAIWWIYSA-N 1 1 360.439 3.428 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C2CCOCC2)CC1 ZINC000153728395 496560461 /nfs/dbraw/zinc/56/04/61/496560461.db2.gz CKCSFLOMZUCKIA-AWEZNQCLSA-N 1 1 361.442 3.060 20 5 FGBDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181887767 496587104 /nfs/dbraw/zinc/58/71/04/496587104.db2.gz NDOGPKAEDUGMFM-NVXWUHKLSA-N 1 1 374.462 3.247 20 5 FGBDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181887767 496587105 /nfs/dbraw/zinc/58/71/05/496587105.db2.gz NDOGPKAEDUGMFM-NVXWUHKLSA-N 1 1 374.462 3.247 20 5 FGBDMO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC2 ZINC000154013308 496655161 /nfs/dbraw/zinc/65/51/61/496655161.db2.gz RDZXXFBCLBAAEE-CVEARBPZSA-N 1 1 354.834 3.000 20 5 FGBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000182062949 496655219 /nfs/dbraw/zinc/65/52/19/496655219.db2.gz WEUWBOZJSSWLCP-MRXNPFEDSA-N 1 1 355.438 3.164 20 5 FGBDMO C[C@H]1CC[C@@](CO)([N@@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000188034189 496656949 /nfs/dbraw/zinc/65/69/49/496656949.db2.gz XNGIGOMMQPEAFV-IFXJQAMLSA-N 1 1 359.426 3.275 20 5 FGBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000182089039 496665527 /nfs/dbraw/zinc/66/55/27/496665527.db2.gz NRBQVIAOYFPMQC-OAHLLOKOSA-N 1 1 373.478 3.324 20 5 FGBDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1C ZINC000188105875 496686356 /nfs/dbraw/zinc/68/63/56/496686356.db2.gz GBONHFDWFAAOIE-HIFRSBDPSA-N 1 1 358.394 3.486 20 5 FGBDMO C[C@H](c1cc(F)ccc1F)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182215502 496710724 /nfs/dbraw/zinc/71/07/24/496710724.db2.gz AOXHNULVIGZOEL-OCCSQVGLSA-N 1 1 366.364 3.306 20 5 FGBDMO C[C@H](c1cc(F)ccc1F)[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182215502 496710727 /nfs/dbraw/zinc/71/07/27/496710727.db2.gz AOXHNULVIGZOEL-OCCSQVGLSA-N 1 1 366.364 3.306 20 5 FGBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCCC[C@@H]2/C=C/c2ccccc2)c1 ZINC000247076586 496772872 /nfs/dbraw/zinc/77/28/72/496772872.db2.gz XHHSGXURVGYNCE-FKDVYQRFSA-N 1 1 370.453 3.110 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000247115752 496784285 /nfs/dbraw/zinc/78/42/85/496784285.db2.gz YNIQAORMLVSCEU-ZIAGYGMSSA-N 1 1 351.472 3.383 20 5 FGBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000247123355 496785669 /nfs/dbraw/zinc/78/56/69/496785669.db2.gz MUALDDGUACNBIA-SWLSCSKDSA-N 1 1 359.451 3.366 20 5 FGBDMO COC(=O)c1cc([N+](=O)[O-])c(N2CCC(c3[nH]cc[nH+]3)CC2)cc1Cl ZINC000268788253 496786006 /nfs/dbraw/zinc/78/60/06/496786006.db2.gz FRMFZUZIEVXQKU-UHFFFAOYSA-N 1 1 364.789 3.142 20 5 FGBDMO Cc1c(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000198940949 496970622 /nfs/dbraw/zinc/97/06/22/496970622.db2.gz DOADUTBONRNURW-UHFFFAOYSA-N 1 1 353.422 3.251 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248202142 496973226 /nfs/dbraw/zinc/97/32/26/496973226.db2.gz ZAFVRXIXEGPKII-GRDNDAEWSA-N 1 1 363.483 3.018 20 5 FGBDMO C[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000273997794 496986526 /nfs/dbraw/zinc/98/65/26/496986526.db2.gz SLVOSQBLHBWGKY-XHDPSFHLSA-N 1 1 365.796 3.282 20 5 FGBDMO C[N@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000273997794 496986527 /nfs/dbraw/zinc/98/65/27/496986527.db2.gz SLVOSQBLHBWGKY-XHDPSFHLSA-N 1 1 365.796 3.282 20 5 FGBDMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248440987 497012743 /nfs/dbraw/zinc/01/27/43/497012743.db2.gz DJLXMORJYKVEQK-KBAYOESNSA-N 1 1 356.422 3.213 20 5 FGBDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248440989 497012818 /nfs/dbraw/zinc/01/28/18/497012818.db2.gz DJLXMORJYKVEQK-NXHRZFHOSA-N 1 1 356.422 3.213 20 5 FGBDMO C[C@@H](C(=O)NCCC[N@H+]1CCCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000248573783 497044951 /nfs/dbraw/zinc/04/49/51/497044951.db2.gz MTDGXNHPQWNEPY-UONOGXRCSA-N 1 1 351.422 3.218 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC([C@@H]3CCCO3)CC2)cccc1[N+](=O)[O-] ZINC000189222424 497050957 /nfs/dbraw/zinc/05/09/57/497050957.db2.gz BNGAXAABSDTHAK-KDOFPFPSSA-N 1 1 361.442 3.121 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000249117802 497169803 /nfs/dbraw/zinc/16/98/03/497169803.db2.gz YSTSRDRPJSGKKS-FUHWJXTLSA-N 1 1 370.409 3.170 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1COc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000569285974 505897052 /nfs/dbraw/zinc/89/70/52/505897052.db2.gz DXBPNSFHYQKTEE-BEFAXECRSA-N 1 1 364.405 3.184 20 5 FGBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000253548032 497339045 /nfs/dbraw/zinc/33/90/45/497339045.db2.gz BCYBAOHFRVACDV-SQWLQELKSA-N 1 1 363.483 3.161 20 5 FGBDMO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H]1CCCC[C@H]1O ZINC000245555149 497454605 /nfs/dbraw/zinc/45/46/05/497454605.db2.gz SSTLGZNAXNADFJ-DOTOQJQBSA-N 1 1 359.426 3.275 20 5 FGBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000262095953 497507728 /nfs/dbraw/zinc/50/77/28/497507728.db2.gz YVTLUPMQZCUOSG-SFHVURJKSA-N 1 1 373.840 3.354 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H](C)C1 ZINC000245749963 497528163 /nfs/dbraw/zinc/52/81/63/497528163.db2.gz NQFBODOTRPXOAE-WFASDCNBSA-N 1 1 357.401 3.358 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)c2c(c1)COCO2 ZINC000246055811 497606144 /nfs/dbraw/zinc/60/61/44/497606144.db2.gz AGWBHMYNNIMHHO-CVEARBPZSA-N 1 1 350.440 3.321 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCS[C@H]3CCCC[C@H]32)c2c(c1)COCO2 ZINC000246055811 497606146 /nfs/dbraw/zinc/60/61/46/497606146.db2.gz AGWBHMYNNIMHHO-CVEARBPZSA-N 1 1 350.440 3.321 20 5 FGBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(-n3ccnc3)c(F)c2)c([N+](=O)[O-])c1 ZINC000194269489 497618883 /nfs/dbraw/zinc/61/88/83/497618883.db2.gz BVFXBHOZUNDPDI-UHFFFAOYSA-N 1 1 371.328 3.118 20 5 FGBDMO O=C1CCCN1[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000276782202 497651248 /nfs/dbraw/zinc/65/12/48/497651248.db2.gz JPPVYOCYMHIIFD-CQSZACIVSA-N 1 1 355.394 3.052 20 5 FGBDMO CC(C)[C@@H](O)C(C)(C)C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272546989 497657782 /nfs/dbraw/zinc/65/77/82/497657782.db2.gz QIOWJOSWSGUTOO-IAGOWNOFSA-N 1 1 360.458 3.050 20 5 FGBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000272574791 497667324 /nfs/dbraw/zinc/66/73/24/497667324.db2.gz VOJVYGKHTUYJKE-YPMHNXCESA-N 1 1 355.460 3.391 20 5 FGBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000272574791 497667328 /nfs/dbraw/zinc/66/73/28/497667328.db2.gz VOJVYGKHTUYJKE-YPMHNXCESA-N 1 1 355.460 3.391 20 5 FGBDMO CCCC(O)(CCC)C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272577981 497668768 /nfs/dbraw/zinc/66/87/68/497668768.db2.gz XLIBXJPRMUGOCC-KRWDZBQOSA-N 1 1 360.458 3.339 20 5 FGBDMO C[C@@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272761036 497724217 /nfs/dbraw/zinc/72/42/17/497724217.db2.gz OSKMSALQUNFYQM-WBVHZDCISA-N 1 1 374.485 3.090 20 5 FGBDMO CC(C)(C)c1ccc([C@H]2CCC[N@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000246769843 497809614 /nfs/dbraw/zinc/80/96/14/497809614.db2.gz RKTDRGQOWFXPHV-RTBURBONSA-N 1 1 372.469 3.287 20 5 FGBDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246822325 497814176 /nfs/dbraw/zinc/81/41/76/497814176.db2.gz OVYMOQIYMJOSOK-HHXXYDBFSA-N 1 1 356.422 3.213 20 5 FGBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000246940989 497821326 /nfs/dbraw/zinc/82/13/26/497821326.db2.gz HNULWVCPEIHWEM-DJIMGWMZSA-N 1 1 360.458 3.232 20 5 FGBDMO CO[C@@]1(C)CCC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000280620781 497829428 /nfs/dbraw/zinc/82/94/28/497829428.db2.gz WNNRNJJLPCSDGM-PXAZEXFGSA-N 1 1 369.849 3.466 20 5 FGBDMO CO[C@@]1(C)CCC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000280620781 497829431 /nfs/dbraw/zinc/82/94/31/497829431.db2.gz WNNRNJJLPCSDGM-PXAZEXFGSA-N 1 1 369.849 3.466 20 5 FGBDMO CC(C)([NH2+]CC(=O)N1CCc2sccc2C1)c1ccccc1[N+](=O)[O-] ZINC000292123108 497888554 /nfs/dbraw/zinc/88/85/54/497888554.db2.gz KKDJFTGIHPDESS-UHFFFAOYSA-N 1 1 359.451 3.066 20 5 FGBDMO CC1(C)C[C@H](O)CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000296027976 497895875 /nfs/dbraw/zinc/89/58/75/497895875.db2.gz MHHQHWQKEMKMPK-MRXNPFEDSA-N 1 1 359.426 3.275 20 5 FGBDMO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000364328358 497901973 /nfs/dbraw/zinc/90/19/73/497901973.db2.gz MUMKFKJRAKRASM-QGZVFWFLSA-N 1 1 366.425 3.327 20 5 FGBDMO CC(C)[C@H](CNc1ccc([N+](=O)[O-])cc1C(F)(F)F)N1CC[NH+](C)CC1 ZINC000301104307 497952656 /nfs/dbraw/zinc/95/26/56/497952656.db2.gz SRSISAGJIBYVOK-INIZCTEOSA-N 1 1 374.407 3.298 20 5 FGBDMO Cc1c(NC(=O)CC[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)cccc1[N+](=O)[O-] ZINC000285284234 498041689 /nfs/dbraw/zinc/04/16/89/498041689.db2.gz FWDZKJFQHYBOON-QGZVFWFLSA-N 1 1 357.414 3.182 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CCCC[C@@H]2c2cc[nH]n2)cccc1[N+](=O)[O-] ZINC000285284234 498041694 /nfs/dbraw/zinc/04/16/94/498041694.db2.gz FWDZKJFQHYBOON-QGZVFWFLSA-N 1 1 357.414 3.182 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCCNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000301360402 498073519 /nfs/dbraw/zinc/07/35/19/498073519.db2.gz NSVXYTKULZVMOC-CQSZACIVSA-N 1 1 362.430 3.228 20 5 FGBDMO O=[N+]([O-])c1cc(Br)cnc1N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000301629794 498196766 /nfs/dbraw/zinc/19/67/66/498196766.db2.gz BAUAFUIHAIJODQ-LLVKDONJSA-N 1 1 355.236 3.181 20 5 FGBDMO CC[C@H](Nc1cc(C)c([N+](=O)[O-])cn1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000301644748 498203107 /nfs/dbraw/zinc/20/31/07/498203107.db2.gz HMWAFNWSMONUIO-PKOBYXMFSA-N 1 1 370.453 3.390 20 5 FGBDMO CC[C@H](Nc1cc(C)c([N+](=O)[O-])cn1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000301644748 498203112 /nfs/dbraw/zinc/20/31/12/498203112.db2.gz HMWAFNWSMONUIO-PKOBYXMFSA-N 1 1 370.453 3.390 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285821019 498211486 /nfs/dbraw/zinc/21/14/86/498211486.db2.gz NTVTWTUMPGQSJY-OAQYLSRUSA-N 1 1 365.433 3.333 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)c1 ZINC000301733461 498242774 /nfs/dbraw/zinc/24/27/74/498242774.db2.gz UEDJWYRVZIFVOY-PKOBYXMFSA-N 1 1 355.438 3.198 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)cnc1Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000301745014 498248527 /nfs/dbraw/zinc/24/85/27/498248527.db2.gz NQWMZSFACKYWSF-UHFFFAOYSA-N 1 1 362.817 3.262 20 5 FGBDMO CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[N@H+]1C ZINC000331149587 498263701 /nfs/dbraw/zinc/26/37/01/498263701.db2.gz OCJKSETURBWBLY-AWEZNQCLSA-N 1 1 359.348 3.026 20 5 FGBDMO COc1cc(NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000301862034 498299065 /nfs/dbraw/zinc/29/90/65/498299065.db2.gz LGXCJOQKZZDPRR-RYUDHWBXSA-N 1 1 355.410 3.042 20 5 FGBDMO COc1cc(N2CCC[N@@H+](Cc3ccccc3)CC2)c(F)cc1[N+](=O)[O-] ZINC000301885373 498312579 /nfs/dbraw/zinc/31/25/79/498312579.db2.gz ZPEWMNYSQNOXFD-UHFFFAOYSA-N 1 1 359.401 3.455 20 5 FGBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccnc2)C1)Nc1cccc([N+](=O)[O-])c1 ZINC000365240663 498369843 /nfs/dbraw/zinc/36/98/43/498369843.db2.gz ODZCXQXZICMVHR-MRXNPFEDSA-N 1 1 369.425 3.024 20 5 FGBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000578808545 506025180 /nfs/dbraw/zinc/02/51/80/506025180.db2.gz IXUFFYISMSPLBP-KBPBESRZSA-N 1 1 353.488 3.312 20 5 FGBDMO O=C([C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1)N1CCCC1 ZINC000331715386 498430125 /nfs/dbraw/zinc/43/01/25/498430125.db2.gz HPONEZKOAJFWPJ-AWEZNQCLSA-N 1 1 351.834 3.083 20 5 FGBDMO O=C([C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1)N1CCCC1 ZINC000331715386 498430128 /nfs/dbraw/zinc/43/01/28/498430128.db2.gz HPONEZKOAJFWPJ-AWEZNQCLSA-N 1 1 351.834 3.083 20 5 FGBDMO C[NH+](C)[C@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000569862948 506034242 /nfs/dbraw/zinc/03/42/42/506034242.db2.gz LGGKEUWEXDDHQG-KRWDZBQOSA-N 1 1 361.829 3.210 20 5 FGBDMO CC[NH+]1CCN(C[C@H](C)CNc2cc(C)c([N+](=O)[O-])cc2Cl)CC1 ZINC000302620413 498519401 /nfs/dbraw/zinc/51/94/01/498519401.db2.gz DKEKWDOUZLZQDZ-CYBMUJFWSA-N 1 1 354.882 3.242 20 5 FGBDMO CC[N@@H+](C)C[C@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2Br)C1 ZINC000302681714 498532273 /nfs/dbraw/zinc/53/22/73/498532273.db2.gz PIBIBSOWGYVKDV-GFCCVEGCSA-N 1 1 356.264 3.444 20 5 FGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000332157446 498582288 /nfs/dbraw/zinc/58/22/88/498582288.db2.gz XVBDHFPMMZDRRI-IXDOHACOSA-N 1 1 361.486 3.477 20 5 FGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000332157446 498582292 /nfs/dbraw/zinc/58/22/92/498582292.db2.gz XVBDHFPMMZDRRI-IXDOHACOSA-N 1 1 361.486 3.477 20 5 FGBDMO C[C@@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)[N@H+]1CCc2ccccc2C1 ZINC000302829572 498592600 /nfs/dbraw/zinc/59/26/00/498592600.db2.gz JWJDTLUSDKLYTA-AWEZNQCLSA-N 1 1 352.438 3.422 20 5 FGBDMO NC(=O)CC[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000572822922 506060741 /nfs/dbraw/zinc/06/07/41/506060741.db2.gz PJUCDUITHHXFBM-NSHDSACASA-N 1 1 359.348 3.091 20 5 FGBDMO NC(=O)CC[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000572822922 506060742 /nfs/dbraw/zinc/06/07/42/506060742.db2.gz PJUCDUITHHXFBM-NSHDSACASA-N 1 1 359.348 3.091 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000332215979 498604125 /nfs/dbraw/zinc/60/41/25/498604125.db2.gz INNBLQVITIFUJN-UHFFFAOYSA-N 1 1 351.472 3.263 20 5 FGBDMO Cc1sc(C(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000572846395 506066654 /nfs/dbraw/zinc/06/66/54/506066654.db2.gz YSBNBZSEWSZICP-GOSISDBHSA-N 1 1 359.451 3.359 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000363123146 498661877 /nfs/dbraw/zinc/66/18/77/498661877.db2.gz YOYFFXLOYYABFP-CJNGLKHVSA-N 1 1 368.397 3.239 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000363123146 498661884 /nfs/dbraw/zinc/66/18/84/498661884.db2.gz YOYFFXLOYYABFP-CJNGLKHVSA-N 1 1 368.397 3.239 20 5 FGBDMO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363257275 498732253 /nfs/dbraw/zinc/73/22/53/498732253.db2.gz VTCIKUPWIXXHGV-CWRNSKLLSA-N 1 1 371.462 3.366 20 5 FGBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCCCN1CCOCC1 ZINC000290984587 498745583 /nfs/dbraw/zinc/74/55/83/498745583.db2.gz YYCBAROSEZUXLO-UHFFFAOYSA-N 1 1 362.257 3.104 20 5 FGBDMO COc1ccc(NC(=O)CC[N@@H+](C)C2CCC(F)(F)CC2)c([N+](=O)[O-])c1 ZINC000298456371 498777514 /nfs/dbraw/zinc/77/75/14/498777514.db2.gz HTNBBVVOLFBYLC-UHFFFAOYSA-N 1 1 371.384 3.442 20 5 FGBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000298689384 498850138 /nfs/dbraw/zinc/85/01/38/498850138.db2.gz BSBYVLZEMZQCQX-QGZVFWFLSA-N 1 1 369.469 3.335 20 5 FGBDMO Cc1ccc([C@H](C)N[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000366299043 498865359 /nfs/dbraw/zinc/86/53/59/498865359.db2.gz LVGWMMVTPQNSCM-UKBAYJJMSA-N 1 1 361.486 3.443 20 5 FGBDMO Cc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000366299043 498865366 /nfs/dbraw/zinc/86/53/66/498865366.db2.gz LVGWMMVTPQNSCM-UKBAYJJMSA-N 1 1 361.486 3.443 20 5 FGBDMO CCOc1cc(C[N@H+]2CC[C@H](OCc3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000287817191 498871565 /nfs/dbraw/zinc/87/15/65/498871565.db2.gz PLRGREUYBRCSHI-KRWDZBQOSA-N 1 1 357.410 3.180 20 5 FGBDMO CC(=O)c1cc(NCc2cccc(C[NH+]3CCOCC3)c2)ccc1[N+](=O)[O-] ZINC000283467092 498894332 /nfs/dbraw/zinc/89/43/32/498894332.db2.gz FVCCEEGGRCQVJW-UHFFFAOYSA-N 1 1 369.421 3.242 20 5 FGBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(n2c[nH+]cc2C)CC1 ZINC000366393740 498907763 /nfs/dbraw/zinc/90/77/63/498907763.db2.gz DPBKIZZYABWADL-SDNWHVSQSA-N 1 1 354.410 3.367 20 5 FGBDMO Cc1c(C[N@@H+]2C[C@@H](c3cnn(C)c3)C3(C2)CCOCC3)cccc1[N+](=O)[O-] ZINC000295211130 498943954 /nfs/dbraw/zinc/94/39/54/498943954.db2.gz WQNYGKWCOGSJQT-SFHVURJKSA-N 1 1 370.453 3.033 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+](C)C[C@H](O)C(F)(F)F)o2)c([N+](=O)[O-])c1 ZINC000576261746 506115798 /nfs/dbraw/zinc/11/57/98/506115798.db2.gz GZACNRVETITVPC-HNNXBMFYSA-N 1 1 374.315 3.218 20 5 FGBDMO COc1ccc(-c2ccc(C[N@@H+](C)C[C@H](O)C(F)(F)F)o2)c([N+](=O)[O-])c1 ZINC000576261746 506115800 /nfs/dbraw/zinc/11/58/00/506115800.db2.gz GZACNRVETITVPC-HNNXBMFYSA-N 1 1 374.315 3.218 20 5 FGBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[N@H+](C2CC2)C1 ZINC000295224901 498948300 /nfs/dbraw/zinc/94/83/00/498948300.db2.gz AZRIFVDFNIDAFQ-LLVKDONJSA-N 1 1 371.359 3.170 20 5 FGBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[C@H]1C ZINC000333343759 498986593 /nfs/dbraw/zinc/98/65/93/498986593.db2.gz PRJYQYRSFNNAJT-HUUCEWRRSA-N 1 1 363.461 3.236 20 5 FGBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[C@H]1C ZINC000333343759 498986596 /nfs/dbraw/zinc/98/65/96/498986596.db2.gz PRJYQYRSFNNAJT-HUUCEWRRSA-N 1 1 363.461 3.236 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(Oc2ccncc2C)CC1 ZINC000573142745 506127766 /nfs/dbraw/zinc/12/77/66/506127766.db2.gz JCHWLIDQBCOAIM-UHFFFAOYSA-N 1 1 357.410 3.350 20 5 FGBDMO Cc1cc([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)[nH]n1 ZINC000364006604 499082640 /nfs/dbraw/zinc/08/26/40/499082640.db2.gz CZNQGBKDMTWQHU-GJZGRUSLSA-N 1 1 371.441 3.141 20 5 FGBDMO Cc1cc([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)[nH]n1 ZINC000364006604 499082644 /nfs/dbraw/zinc/08/26/44/499082644.db2.gz CZNQGBKDMTWQHU-GJZGRUSLSA-N 1 1 371.441 3.141 20 5 FGBDMO Cc1cc([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)n[nH]1 ZINC000364006604 499082647 /nfs/dbraw/zinc/08/26/47/499082647.db2.gz CZNQGBKDMTWQHU-GJZGRUSLSA-N 1 1 371.441 3.141 20 5 FGBDMO Cc1cc([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)n[nH]1 ZINC000364006604 499082649 /nfs/dbraw/zinc/08/26/49/499082649.db2.gz CZNQGBKDMTWQHU-GJZGRUSLSA-N 1 1 371.441 3.141 20 5 FGBDMO O=C1Nc2ccccc2[C@]12CC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000364007563 499084131 /nfs/dbraw/zinc/08/41/31/499084131.db2.gz XNMBGNIIJLZIKW-GOSISDBHSA-N 1 1 357.797 3.344 20 5 FGBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000291948717 499108461 /nfs/dbraw/zinc/10/84/61/499108461.db2.gz NYERQRUKNJHOGR-SNVBAGLBSA-N 1 1 360.241 3.315 20 5 FGBDMO CCN(C(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000372543080 499142953 /nfs/dbraw/zinc/14/29/53/499142953.db2.gz PBQSOBOVWOYMKS-GDBMZVCRSA-N 1 1 357.410 3.485 20 5 FGBDMO Cc1c([C@@H]2CCC[N@H+]2[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cnn1C ZINC000367341797 499184558 /nfs/dbraw/zinc/18/45/58/499184558.db2.gz HFBFYUPQTAUDBJ-KSSFIOAISA-N 1 1 371.441 3.109 20 5 FGBDMO Cc1c([C@@H]2CCC[N@@H+]2[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cnn1C ZINC000367341797 499184560 /nfs/dbraw/zinc/18/45/60/499184560.db2.gz HFBFYUPQTAUDBJ-KSSFIOAISA-N 1 1 371.441 3.109 20 5 FGBDMO C[C@@H](C(=O)N1CC[NH+](CCc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000573184928 506138042 /nfs/dbraw/zinc/13/80/42/506138042.db2.gz RYQKNPZCUGIBEY-QGZVFWFLSA-N 1 1 367.449 3.085 20 5 FGBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000367816193 499235601 /nfs/dbraw/zinc/23/56/01/499235601.db2.gz NOMCKXWMPPLGLS-JXFKEZNVSA-N 1 1 368.437 3.322 20 5 FGBDMO CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000371125946 499290849 /nfs/dbraw/zinc/29/08/49/499290849.db2.gz DDHYVKFZGJRCJF-ZNFPLGDCSA-N 1 1 354.410 3.058 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCc2cnn(CCOC)c21 ZINC000368856185 499340321 /nfs/dbraw/zinc/34/03/21/499340321.db2.gz NWYIWRUUPWMBAQ-KRWDZBQOSA-N 1 1 374.441 3.004 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000371826183 499369119 /nfs/dbraw/zinc/36/91/19/499369119.db2.gz FKRKIDOFLYJGAT-UHFFFAOYSA-N 1 1 357.389 3.328 20 5 FGBDMO O=C1CCCN1CC1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000372041362 499392430 /nfs/dbraw/zinc/39/24/30/499392430.db2.gz GDMJQXRLMIUKJL-UHFFFAOYSA-N 1 1 351.834 3.083 20 5 FGBDMO Cc1cccc(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000369567530 499419324 /nfs/dbraw/zinc/41/93/24/499419324.db2.gz HWSHXVVBCGUUSG-SUMWQHHRSA-N 1 1 359.451 3.388 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)ccc1Br ZINC000372399185 499429196 /nfs/dbraw/zinc/42/91/96/499429196.db2.gz DCDVGYJZVQYJLF-SWLSCSKDSA-N 1 1 355.232 3.358 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)ccc1Br ZINC000372399185 499429198 /nfs/dbraw/zinc/42/91/98/499429198.db2.gz DCDVGYJZVQYJLF-SWLSCSKDSA-N 1 1 355.232 3.358 20 5 FGBDMO C[N@H+]1CCC[C@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H]1c1cccs1 ZINC000369668615 499434342 /nfs/dbraw/zinc/43/43/42/499434342.db2.gz YFBLRGSNSPRJPH-DNVCBOLYSA-N 1 1 373.478 3.398 20 5 FGBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](Cc3ccccc3OC(F)F)C2)c1 ZINC000373567551 499477323 /nfs/dbraw/zinc/47/73/23/499477323.db2.gz MQTIMSWBQDSUER-CYBMUJFWSA-N 1 1 352.341 3.230 20 5 FGBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3ccccc3OC(F)F)C2)c1 ZINC000373567551 499477324 /nfs/dbraw/zinc/47/73/24/499477324.db2.gz MQTIMSWBQDSUER-CYBMUJFWSA-N 1 1 352.341 3.230 20 5 FGBDMO CN(Cc1cc(F)ccc1[N+](=O)[O-])C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000375279564 499502479 /nfs/dbraw/zinc/50/24/79/499502479.db2.gz NTCJQVPSUGEMLH-KXBFYZLASA-N 1 1 358.417 3.254 20 5 FGBDMO C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000375477308 499523863 /nfs/dbraw/zinc/52/38/63/499523863.db2.gz ZLKJVSVCRXOAQN-HMXCVIKNSA-N 1 1 369.465 3.301 20 5 FGBDMO CN1CCC[C@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000375477308 499523865 /nfs/dbraw/zinc/52/38/65/499523865.db2.gz ZLKJVSVCRXOAQN-HMXCVIKNSA-N 1 1 369.465 3.301 20 5 FGBDMO C[N@@H+]1CCC[C@H](CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000375477308 499523867 /nfs/dbraw/zinc/52/38/67/499523867.db2.gz ZLKJVSVCRXOAQN-HMXCVIKNSA-N 1 1 369.465 3.301 20 5 FGBDMO C[N@H+]1CCC[C@H](CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000375477308 499523868 /nfs/dbraw/zinc/52/38/68/499523868.db2.gz ZLKJVSVCRXOAQN-HMXCVIKNSA-N 1 1 369.465 3.301 20 5 FGBDMO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000381029013 499544436 /nfs/dbraw/zinc/54/44/36/499544436.db2.gz WMDSQXIPQAFWQX-ZWKOTPCHSA-N 1 1 369.469 3.078 20 5 FGBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cc(-c4ccccc4)on3)CC2)n1 ZINC000375722552 499548662 /nfs/dbraw/zinc/54/86/62/499548662.db2.gz KIFAILPEDLZVIW-UHFFFAOYSA-N 1 1 353.382 3.283 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000388431456 499550788 /nfs/dbraw/zinc/55/07/88/499550788.db2.gz UOGGUFHSLWDGKD-QZTJIDSGSA-N 1 1 352.438 3.257 20 5 FGBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000389063495 499552251 /nfs/dbraw/zinc/55/22/51/499552251.db2.gz SZVMYOJXNQAUES-WMLDXEAASA-N 1 1 357.458 3.442 20 5 FGBDMO CC(C)[N@H+]1CCc2nc(CN(C)CCc3ccccc3[N+](=O)[O-])sc2C1 ZINC000377684663 499719582 /nfs/dbraw/zinc/71/95/82/499719582.db2.gz XKYPQCKXYIBPJZ-UHFFFAOYSA-N 1 1 374.510 3.492 20 5 FGBDMO C[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)CO1 ZINC000411296740 499722901 /nfs/dbraw/zinc/72/29/01/499722901.db2.gz KZFLDUSGZGXKHX-HNAYVOBHSA-N 1 1 369.421 3.385 20 5 FGBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)CO1 ZINC000411296740 499722903 /nfs/dbraw/zinc/72/29/03/499722903.db2.gz KZFLDUSGZGXKHX-HNAYVOBHSA-N 1 1 369.421 3.385 20 5 FGBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000377741210 499727109 /nfs/dbraw/zinc/72/71/09/499727109.db2.gz MMSXJSXKXQRRSE-VKJFTORMSA-N 1 1 370.453 3.444 20 5 FGBDMO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000377820684 499738751 /nfs/dbraw/zinc/73/87/51/499738751.db2.gz GXEXDSKUUINCTC-SGMGOOAPSA-N 1 1 364.833 3.196 20 5 FGBDMO COc1ccc([C@@H]2CCNC[C@@H]2[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000414894145 499842505 /nfs/dbraw/zinc/84/25/05/499842505.db2.gz YYQVIQOZNFNIJS-LRDJZXPISA-N 1 1 367.449 3.352 20 5 FGBDMO C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000412702660 499877851 /nfs/dbraw/zinc/87/78/51/499877851.db2.gz WVDWZWZILMHBRH-HNNXBMFYSA-N 1 1 371.412 3.009 20 5 FGBDMO C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1Cc1ccccc1 ZINC000412702660 499877853 /nfs/dbraw/zinc/87/78/53/499877853.db2.gz WVDWZWZILMHBRH-HNNXBMFYSA-N 1 1 371.412 3.009 20 5 FGBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@@H](C)C1 ZINC000413306605 499939635 /nfs/dbraw/zinc/93/96/35/499939635.db2.gz WBMQXHTYMYUREA-MJVIPROJSA-N 1 1 358.364 3.175 20 5 FGBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@@H](C)C1 ZINC000413306608 499939795 /nfs/dbraw/zinc/93/97/95/499939795.db2.gz WBMQXHTYMYUREA-WDMOLILDSA-N 1 1 358.364 3.175 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000429215635 500024782 /nfs/dbraw/zinc/02/47/82/500024782.db2.gz QIBSIZKUUBLUOT-LBPRGKRZSA-N 1 1 374.268 3.450 20 5 FGBDMO COCCCN1CCC([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417306373 500035567 /nfs/dbraw/zinc/03/55/67/500035567.db2.gz AEDGUOHIELAJJZ-FQEVSTJZSA-N 1 1 361.486 3.453 20 5 FGBDMO COCCC[NH+]1CCC(N[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417306373 500035570 /nfs/dbraw/zinc/03/55/70/500035570.db2.gz AEDGUOHIELAJJZ-FQEVSTJZSA-N 1 1 361.486 3.453 20 5 FGBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CSC)C2)c([N+](=O)[O-])c1 ZINC000429271766 500039256 /nfs/dbraw/zinc/03/92/56/500039256.db2.gz BLSJSGAPBPTEMU-CHWSQXEVSA-N 1 1 367.471 3.005 20 5 FGBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](CSC)C2)c([N+](=O)[O-])c1 ZINC000429271766 500039263 /nfs/dbraw/zinc/03/92/63/500039263.db2.gz BLSJSGAPBPTEMU-CHWSQXEVSA-N 1 1 367.471 3.005 20 5 FGBDMO CC(C)([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)c1ccccc1[N+](=O)[O-] ZINC000429274208 500040179 /nfs/dbraw/zinc/04/01/79/500040179.db2.gz RYLYBDWXNYPNJG-UHFFFAOYSA-N 1 1 372.812 3.281 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000425406242 500095700 /nfs/dbraw/zinc/09/57/00/500095700.db2.gz MFATYAJXRLTNOV-NSHDSACASA-N 1 1 355.232 3.358 20 5 FGBDMO C[C@H]1CC[C@](CO)([N@@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425432353 500104417 /nfs/dbraw/zinc/10/44/17/500104417.db2.gz IAWVYFPPCYJCAT-NHYWBVRUSA-N 1 1 357.248 3.340 20 5 FGBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429805752 500148042 /nfs/dbraw/zinc/14/80/42/500148042.db2.gz GDEBXXMRGPHCQN-OWCLPIDISA-N 1 1 361.486 3.355 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000429860784 500157665 /nfs/dbraw/zinc/15/76/65/500157665.db2.gz UZZQIHYITYEHTN-IYBDPMFKSA-N 1 1 361.486 3.357 20 5 FGBDMO CC(C)C[N@@H+]1CCCC[C@@H]1CNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000582296250 506179673 /nfs/dbraw/zinc/17/96/73/506179673.db2.gz BNBNWFOMWSRCIH-MRXNPFEDSA-N 1 1 362.474 3.024 20 5 FGBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000582296250 506179678 /nfs/dbraw/zinc/17/96/78/506179678.db2.gz BNBNWFOMWSRCIH-MRXNPFEDSA-N 1 1 362.474 3.024 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1CN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000430202765 500208314 /nfs/dbraw/zinc/20/83/14/500208314.db2.gz DBFNTJUUSTZTLC-UHFFFAOYSA-N 1 1 355.438 3.311 20 5 FGBDMO CC1(C)C[C@H](NCCC[NH2+]Cc2cccnc2)c2cc([N+](=O)[O-])ccc21 ZINC000423194248 500354141 /nfs/dbraw/zinc/35/41/41/500354141.db2.gz YQZMHGCFYREGSM-IBGZPJMESA-N 1 1 354.454 3.482 20 5 FGBDMO CC(C)c1ccc(C[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000428487798 500516933 /nfs/dbraw/zinc/51/69/33/500516933.db2.gz WTKSIZBWBNBNIU-CYBMUJFWSA-N 1 1 373.375 3.219 20 5 FGBDMO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC(OC(C)(C)C)C1 ZINC000420984281 500547870 /nfs/dbraw/zinc/54/78/70/500547870.db2.gz FHTJHDJEISZACI-UHFFFAOYSA-N 1 1 360.414 3.423 20 5 FGBDMO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC(OC(C)(C)C)C1 ZINC000420984281 500547874 /nfs/dbraw/zinc/54/78/74/500547874.db2.gz FHTJHDJEISZACI-UHFFFAOYSA-N 1 1 360.414 3.423 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433084963 500622619 /nfs/dbraw/zinc/62/26/19/500622619.db2.gz USASPGIZSJKLHG-INIZCTEOSA-N 1 1 369.421 3.422 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433084963 500622621 /nfs/dbraw/zinc/62/26/21/500622621.db2.gz USASPGIZSJKLHG-INIZCTEOSA-N 1 1 369.421 3.422 20 5 FGBDMO Cc1ccc(C[N@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)cc1 ZINC000447673390 500642981 /nfs/dbraw/zinc/64/29/81/500642981.db2.gz YBKRSTWUIASGMI-UHFFFAOYSA-N 1 1 365.437 3.492 20 5 FGBDMO C[N@@H+](CCCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000442964562 500654935 /nfs/dbraw/zinc/65/49/35/500654935.db2.gz OJDXXIZLAGFSGB-UHFFFAOYSA-N 1 1 369.215 3.432 20 5 FGBDMO Cc1sc(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000437848029 500706252 /nfs/dbraw/zinc/70/62/52/500706252.db2.gz ZXXAFOVHZOUYHX-CQSZACIVSA-N 1 1 351.472 3.492 20 5 FGBDMO C[C@H]1C[C@@H](NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC[N@H+]1C ZINC000444077137 500799734 /nfs/dbraw/zinc/79/97/34/500799734.db2.gz SIKDUCSAPYWJAC-STQMWFEESA-N 1 1 367.424 3.033 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCSC(C)(C)CC2)c([N+](=O)[O-])c1 ZINC000434715405 500883449 /nfs/dbraw/zinc/88/34/49/500883449.db2.gz YJLAKMPPSXDDOO-UHFFFAOYSA-N 1 1 367.471 3.150 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@H+]2CCSC(C)(C)CC2)c([N+](=O)[O-])c1 ZINC000434715405 500883452 /nfs/dbraw/zinc/88/34/52/500883452.db2.gz YJLAKMPPSXDDOO-UHFFFAOYSA-N 1 1 367.471 3.150 20 5 FGBDMO CCC[N@H+](C)Cc1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000445231688 500957554 /nfs/dbraw/zinc/95/75/54/500957554.db2.gz DBHZXNASFCRPJU-UHFFFAOYSA-N 1 1 369.219 3.173 20 5 FGBDMO CCC[N@@H+](C)Cc1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000445231688 500957557 /nfs/dbraw/zinc/95/75/57/500957557.db2.gz DBHZXNASFCRPJU-UHFFFAOYSA-N 1 1 369.219 3.173 20 5 FGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000449411662 500997617 /nfs/dbraw/zinc/99/76/17/500997617.db2.gz JWVGAWRGYJKWIB-GSBQIYOASA-N 1 1 365.433 3.279 20 5 FGBDMO CNC(=O)c1ccc(NC[C@@H]2CCC[N@H+]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000435598598 500999405 /nfs/dbraw/zinc/99/94/05/500999405.db2.gz RVGPGFPOORGFRP-INIZCTEOSA-N 1 1 360.458 3.163 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+](C)Cc2cnc(C(C)C)nc2)cccc1[N+](=O)[O-] ZINC000440477957 501012988 /nfs/dbraw/zinc/01/29/88/501012988.db2.gz ABJNMLCQHLLDQA-UHFFFAOYSA-N 1 1 371.441 3.277 20 5 FGBDMO CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000449745852 501073841 /nfs/dbraw/zinc/07/38/41/501073841.db2.gz PJKGJFVDDDRRIN-HNNXBMFYSA-N 1 1 372.425 3.090 20 5 FGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+](CCN1CCOCC1)Cc1ccco1 ZINC000449763234 501080105 /nfs/dbraw/zinc/08/01/05/501080105.db2.gz PZDWHFDXFIGDSV-ZZXKWVIFSA-N 1 1 371.437 3.035 20 5 FGBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+](CCN1CCOCC1)Cc1ccco1 ZINC000449763234 501080107 /nfs/dbraw/zinc/08/01/07/501080107.db2.gz PZDWHFDXFIGDSV-ZZXKWVIFSA-N 1 1 371.437 3.035 20 5 FGBDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000592766965 506233557 /nfs/dbraw/zinc/23/35/57/506233557.db2.gz JNTSWMREFMSYNP-HNNXBMFYSA-N 1 1 358.442 3.444 20 5 FGBDMO COc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000449814302 501095585 /nfs/dbraw/zinc/09/55/85/501095585.db2.gz KJGVTPUJLWBVLZ-MRXNPFEDSA-N 1 1 361.442 3.017 20 5 FGBDMO CCOc1cc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)ccc1OC ZINC000446838355 501171424 /nfs/dbraw/zinc/17/14/24/501171424.db2.gz HNXBDAAJHBHHFX-UHFFFAOYSA-N 1 1 356.382 3.168 20 5 FGBDMO C[C@@H]1Cc2[nH+]cn(CCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)c2C[C@H]1C ZINC000451004311 501238414 /nfs/dbraw/zinc/23/84/14/501238414.db2.gz WQFWSVZIRIJWCC-CHWSQXEVSA-N 1 1 370.409 3.160 20 5 FGBDMO COc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c([N+](=O)[O-])cc1F ZINC000451343890 501270696 /nfs/dbraw/zinc/27/06/96/501270696.db2.gz AAJDQYXIICTDLM-FRFSOERESA-N 1 1 352.406 3.258 20 5 FGBDMO COCCCOc1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000602649517 506245123 /nfs/dbraw/zinc/24/51/23/506245123.db2.gz KNKHRQUTHRWPRN-UHFFFAOYSA-N 1 1 371.393 3.441 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451854583 501386473 /nfs/dbraw/zinc/38/64/73/501386473.db2.gz NPTDULWLVNLSOT-RDTXWAMCSA-N 1 1 358.394 3.155 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451854583 501386476 /nfs/dbraw/zinc/38/64/76/501386476.db2.gz NPTDULWLVNLSOT-RDTXWAMCSA-N 1 1 358.394 3.155 20 5 FGBDMO CCOc1cc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)c(F)cc1OC ZINC000598965898 506250230 /nfs/dbraw/zinc/25/02/30/506250230.db2.gz ZZHUTBJMTYBIJY-UHFFFAOYSA-N 1 1 364.373 3.440 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@]3(CCSC3)C2)cccc1[N+](=O)[O-] ZINC000451987599 501414636 /nfs/dbraw/zinc/41/46/36/501414636.db2.gz YUMWHNYKVJEQAG-KDOFPFPSSA-N 1 1 363.483 3.449 20 5 FGBDMO COc1cccc([C@H]2C[C@H]([N@@H+](C)Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)c1 ZINC000452019846 501419576 /nfs/dbraw/zinc/41/95/76/501419576.db2.gz QRZZYVFAGPOWLW-QAQDUYKDSA-N 1 1 369.421 3.080 20 5 FGBDMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000456338649 501502865 /nfs/dbraw/zinc/50/28/65/501502865.db2.gz CJRWEZNACGPZHI-ZIAGYGMSSA-N 1 1 351.472 3.018 20 5 FGBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000456338649 501502868 /nfs/dbraw/zinc/50/28/68/501502868.db2.gz CJRWEZNACGPZHI-ZIAGYGMSSA-N 1 1 351.472 3.018 20 5 FGBDMO C[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000454727224 501616628 /nfs/dbraw/zinc/61/66/28/501616628.db2.gz OUMNCUNATNGTAG-ZOCIIQOWSA-N 1 1 368.437 3.400 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611708285 506265892 /nfs/dbraw/zinc/26/58/92/506265892.db2.gz SRPJNYQGRFAKSZ-OAHLLOKOSA-N 1 1 363.421 3.249 20 5 FGBDMO O=[N+]([O-])c1ccc2c(c1)CN([C@H]1CC[N@@H+](Cc3ccccc3)C1)CCO2 ZINC000459496372 501664124 /nfs/dbraw/zinc/66/41/24/501664124.db2.gz HAHGANKAGUPRHD-IBGZPJMESA-N 1 1 353.422 3.064 20 5 FGBDMO C[C@H](Cc1cccc(F)c1)[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000459778221 501712783 /nfs/dbraw/zinc/71/27/83/501712783.db2.gz ZJAVXDNZKGEJST-RHSMWYFYSA-N 1 1 362.401 3.037 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463449955 501726772 /nfs/dbraw/zinc/72/67/72/501726772.db2.gz AVNBSDRORYIOLR-OAQYLSRUSA-N 1 1 370.449 3.421 20 5 FGBDMO C[C@@H]1C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@H]1c1ccccc1 ZINC000471016899 501893103 /nfs/dbraw/zinc/89/31/03/501893103.db2.gz GBDVZIKIQGVCOE-MDASCCDHSA-N 1 1 351.406 3.393 20 5 FGBDMO C[C@@H]1C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@H]1c1ccccc1 ZINC000471016899 501893105 /nfs/dbraw/zinc/89/31/05/501893105.db2.gz GBDVZIKIQGVCOE-MDASCCDHSA-N 1 1 351.406 3.393 20 5 FGBDMO COC(=O)c1cnc(N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000478283582 501931002 /nfs/dbraw/zinc/93/10/02/501931002.db2.gz SAXYXBJSRMMMLI-BBRMVZONSA-N 1 1 370.409 3.024 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cn1 ZINC000481991158 501937860 /nfs/dbraw/zinc/93/78/60/501937860.db2.gz NPIOVHIWFOIINF-HKUYNNGSSA-N 1 1 352.438 3.481 20 5 FGBDMO O=[N+]([O-])c1sc(C[NH2+][C@@H]2CCCn3nccc32)cc1Br ZINC000602750168 506284081 /nfs/dbraw/zinc/28/40/81/506284081.db2.gz DRZYAAVXGQXXGN-SNVBAGLBSA-N 1 1 357.233 3.240 20 5 FGBDMO O=C(C[N@@H+](CCO)CC1CCCCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000485877636 501971152 /nfs/dbraw/zinc/97/11/52/501971152.db2.gz YOQVJNTUXSJQPH-UHFFFAOYSA-N 1 1 369.849 3.061 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC000478475172 501994178 /nfs/dbraw/zinc/99/41/78/501994178.db2.gz KETHVTOQLZPHLY-OLZOCXBDSA-N 1 1 351.472 3.167 20 5 FGBDMO C[C@@H](CNC(=O)CSc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000478557499 502017772 /nfs/dbraw/zinc/01/77/72/502017772.db2.gz AVJXTNGEWRUANF-KBPBESRZSA-N 1 1 351.472 3.066 20 5 FGBDMO C[C@H](CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000471466343 502036550 /nfs/dbraw/zinc/03/65/50/502036550.db2.gz WCGHZSYKAXOUQZ-CQSZACIVSA-N 1 1 359.401 3.374 20 5 FGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC1([NH+]2CCCC2)CCOCC1 ZINC000468643839 502134686 /nfs/dbraw/zinc/13/46/86/502134686.db2.gz URRUYGWINUOHQZ-LGMDPLHJSA-N 1 1 359.470 3.233 20 5 FGBDMO COc1cc(C[N@H+]2C[C@@H](O)C[C@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000471804556 502141637 /nfs/dbraw/zinc/14/16/37/502141637.db2.gz MSDSGCHAWFCSDV-KDOFPFPSSA-N 1 1 372.421 3.138 20 5 FGBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000461553502 502143103 /nfs/dbraw/zinc/14/31/03/502143103.db2.gz VTRMNDCQDLMGKW-HNNXBMFYSA-N 1 1 362.474 3.045 20 5 FGBDMO CCN1CC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C[C@@H]1c1ncc[nH]1 ZINC000475349812 502144163 /nfs/dbraw/zinc/14/41/63/502144163.db2.gz OICFBIJBLLHVJV-HAZIXKIPSA-N 1 1 355.442 3.100 20 5 FGBDMO CCN1CC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C[C@@H]1c1ncc[nH]1 ZINC000475349812 502144167 /nfs/dbraw/zinc/14/41/67/502144167.db2.gz OICFBIJBLLHVJV-HAZIXKIPSA-N 1 1 355.442 3.100 20 5 FGBDMO CCN1CC[NH+](CCCNc2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000461765039 502195380 /nfs/dbraw/zinc/19/53/80/502195380.db2.gz CAQGLISONSOJHY-UHFFFAOYSA-N 1 1 374.407 3.362 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000475524502 502203851 /nfs/dbraw/zinc/20/38/51/502203851.db2.gz AHUXASIKPMWSPF-LLVKDONJSA-N 1 1 352.797 3.328 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000475524502 502203858 /nfs/dbraw/zinc/20/38/58/502203858.db2.gz AHUXASIKPMWSPF-LLVKDONJSA-N 1 1 352.797 3.328 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@H]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000475558940 502213270 /nfs/dbraw/zinc/21/32/70/502213270.db2.gz LZGBQAZLMLQURY-HIFRSBDPSA-N 1 1 350.415 3.157 20 5 FGBDMO Cc1cc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c(F)cc1[N+](=O)[O-] ZINC000461948207 502248332 /nfs/dbraw/zinc/24/83/32/502248332.db2.gz MDYYMEGHPCDMQW-AEFFLSMTSA-N 1 1 373.428 3.337 20 5 FGBDMO Cc1cc(NCC2(N3CCCCC3)CC[NH+](C)CC2)c(F)cc1[N+](=O)[O-] ZINC000461972077 502258217 /nfs/dbraw/zinc/25/82/17/502258217.db2.gz YJHBBIROUMMRMB-UHFFFAOYSA-N 1 1 364.465 3.405 20 5 FGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000483055305 502258270 /nfs/dbraw/zinc/25/82/70/502258270.db2.gz SAWBVJVXNIDXRW-SFHVURJKSA-N 1 1 364.442 3.152 20 5 FGBDMO COc1cc(C[N@@H+](CC2CCC2)[C@@H](C)CO)c([N+](=O)[O-])cc1OC(F)F ZINC000483152140 502294379 /nfs/dbraw/zinc/29/43/79/502294379.db2.gz FLXSCLNFVNWACB-NSHDSACASA-N 1 1 374.384 3.188 20 5 FGBDMO CC[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H](CC)CN1C(C)=O ZINC000472359706 502329392 /nfs/dbraw/zinc/32/93/92/502329392.db2.gz MNNWMSHPYZHEPH-IAGOWNOFSA-N 1 1 363.458 3.085 20 5 FGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000602807716 506307765 /nfs/dbraw/zinc/30/77/65/506307765.db2.gz KBXQBWKHBIFHQH-SJORKVTESA-N 1 1 362.405 3.091 20 5 FGBDMO C[C@@H]1OCC[C@@]1(O)C[N@@H+](Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000582586187 506310329 /nfs/dbraw/zinc/31/03/29/506310329.db2.gz ZXBNUNQTEJMOCV-OXJNMPFZSA-N 1 1 356.422 3.137 20 5 FGBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000480077462 502466114 /nfs/dbraw/zinc/46/61/14/502466114.db2.gz KYTCKODMITWJNZ-GDBMZVCRSA-N 1 1 369.421 3.420 20 5 FGBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000480077462 502466121 /nfs/dbraw/zinc/46/61/21/502466121.db2.gz KYTCKODMITWJNZ-GDBMZVCRSA-N 1 1 369.421 3.420 20 5 FGBDMO Cc1cccc(NCCNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[nH+]1 ZINC000469574043 502468481 /nfs/dbraw/zinc/46/84/81/502468481.db2.gz FHZAQKMACGNBDA-UHFFFAOYSA-N 1 1 368.315 3.159 20 5 FGBDMO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000469681138 502500403 /nfs/dbraw/zinc/50/04/03/502500403.db2.gz QPIPYEPYJCWZOS-FQEVSTJZSA-N 1 1 367.449 3.308 20 5 FGBDMO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000469681138 502500404 /nfs/dbraw/zinc/50/04/04/502500404.db2.gz QPIPYEPYJCWZOS-FQEVSTJZSA-N 1 1 367.449 3.308 20 5 FGBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000462616035 502509505 /nfs/dbraw/zinc/50/95/05/502509505.db2.gz ARHNXHQRZHGNEH-OAHLLOKOSA-N 1 1 362.474 3.389 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000462656254 502524377 /nfs/dbraw/zinc/52/43/77/502524377.db2.gz LDOSRWDBCODEQP-FZKQIMNGSA-N 1 1 372.400 3.376 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(c2cccc(Br)c2)CCC1 ZINC000476799303 502589160 /nfs/dbraw/zinc/58/91/60/502589160.db2.gz WHBJVEFGHAYVMD-UHFFFAOYSA-N 1 1 365.231 3.260 20 5 FGBDMO COCC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCC[C@@H]1C ZINC000488009572 502598994 /nfs/dbraw/zinc/59/89/94/502598994.db2.gz NRKGJOOGDDUFBU-GUYCJALGSA-N 1 1 350.415 3.098 20 5 FGBDMO CCOCCC[N@H+]1CC[C@@H](Nc2nc3ccccc3cc2[N+](=O)[O-])[C@H](C)C1 ZINC000473519040 502620132 /nfs/dbraw/zinc/62/01/32/502620132.db2.gz GFGOOHFZRQGDHO-NVXWUHKLSA-N 1 1 372.469 3.114 20 5 FGBDMO CC[C@H](OCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 ZINC000592997053 506326220 /nfs/dbraw/zinc/32/62/20/506326220.db2.gz QHKLYKGYQBSAQW-IBGZPJMESA-N 1 1 370.453 3.280 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000602851596 506327658 /nfs/dbraw/zinc/32/76/58/506327658.db2.gz AQCVDNPGFJTXKK-GDBMZVCRSA-N 1 1 354.410 3.196 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000602851596 506327661 /nfs/dbraw/zinc/32/76/61/506327661.db2.gz AQCVDNPGFJTXKK-GDBMZVCRSA-N 1 1 354.410 3.196 20 5 FGBDMO Cc1cnc(NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000463051988 502675885 /nfs/dbraw/zinc/67/58/85/502675885.db2.gz GWMWUGHOEYNJOE-IBGZPJMESA-N 1 1 369.469 3.089 20 5 FGBDMO Cc1cnc(NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000463051988 502675887 /nfs/dbraw/zinc/67/58/87/502675887.db2.gz GWMWUGHOEYNJOE-IBGZPJMESA-N 1 1 369.469 3.089 20 5 FGBDMO Cc1cnc(NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000463051988 502675890 /nfs/dbraw/zinc/67/58/90/502675890.db2.gz GWMWUGHOEYNJOE-IBGZPJMESA-N 1 1 369.469 3.089 20 5 FGBDMO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(Br)cc1Cl ZINC000484638859 502692278 /nfs/dbraw/zinc/69/22/78/502692278.db2.gz LLBLLFDZHMWHJW-UHFFFAOYSA-N 1 1 373.638 3.339 20 5 FGBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(Br)cc1Cl ZINC000484638859 502692289 /nfs/dbraw/zinc/69/22/89/502692289.db2.gz LLBLLFDZHMWHJW-UHFFFAOYSA-N 1 1 373.638 3.339 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCN(c2cccnn2)CC1 ZINC000470172790 502693097 /nfs/dbraw/zinc/69/30/97/502693097.db2.gz CFRZQPMAEXOPOY-DTQAZKPQSA-N 1 1 353.426 3.000 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(CCN2CCOCC2)CC1 ZINC000470184767 502700203 /nfs/dbraw/zinc/70/02/03/502700203.db2.gz XBLBBQSNBJKXMH-OBGWFSINSA-N 1 1 373.497 3.432 20 5 FGBDMO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000477263894 502723108 /nfs/dbraw/zinc/72/31/08/502723108.db2.gz JKDXTVODXNHJNH-INIZCTEOSA-N 1 1 350.415 3.170 20 5 FGBDMO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000477263894 502723111 /nfs/dbraw/zinc/72/31/11/502723111.db2.gz JKDXTVODXNHJNH-INIZCTEOSA-N 1 1 350.415 3.170 20 5 FGBDMO CC[C@H]1Cc2ccccc2C[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000466933440 502731932 /nfs/dbraw/zinc/73/19/32/502731932.db2.gz ISQXUNICRWHFOU-KRWDZBQOSA-N 1 1 353.422 3.395 20 5 FGBDMO CC[C@H]1Cc2ccccc2C[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000466933440 502731939 /nfs/dbraw/zinc/73/19/39/502731939.db2.gz ISQXUNICRWHFOU-KRWDZBQOSA-N 1 1 353.422 3.395 20 5 FGBDMO CC(C)[N@H+]1CCCC[C@@H]1Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000596255477 506331164 /nfs/dbraw/zinc/33/11/64/506331164.db2.gz YJIGXZOPJFVGGR-QGZVFWFLSA-N 1 1 356.426 3.081 20 5 FGBDMO CC[N@H+](Cc1cccc(F)c1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000488611712 502764239 /nfs/dbraw/zinc/76/42/39/502764239.db2.gz SGHIEZZIJOMTLG-GOSISDBHSA-N 1 1 357.385 3.361 20 5 FGBDMO CC[N@@H+](Cc1cccc(F)c1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000488611712 502764243 /nfs/dbraw/zinc/76/42/43/502764243.db2.gz SGHIEZZIJOMTLG-GOSISDBHSA-N 1 1 357.385 3.361 20 5 FGBDMO C[NH+](C)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1Br ZINC000467035547 502766649 /nfs/dbraw/zinc/76/66/49/502766649.db2.gz IGINRAHGTUABSX-UHFFFAOYSA-N 1 1 368.187 3.264 20 5 FGBDMO Cc1ccc(C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000467060716 502774569 /nfs/dbraw/zinc/77/45/69/502774569.db2.gz SSVZVYOBISFZIP-QAPCUYQASA-N 1 1 353.422 3.296 20 5 FGBDMO Cn1cc(C2=CCC[N@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)cn1 ZINC000602882097 506335601 /nfs/dbraw/zinc/33/56/01/506335601.db2.gz ITKAEWNJHBHALU-UHFFFAOYSA-N 1 1 365.393 3.273 20 5 FGBDMO Cn1cc(C2=CCC[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)cn1 ZINC000602882097 506335606 /nfs/dbraw/zinc/33/56/06/506335606.db2.gz ITKAEWNJHBHALU-UHFFFAOYSA-N 1 1 365.393 3.273 20 5 FGBDMO COCC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@@H]1CC=CCC1 ZINC000485114017 502816603 /nfs/dbraw/zinc/81/66/03/502816603.db2.gz QYXMTBKNURWMHS-OAHLLOKOSA-N 1 1 372.425 3.450 20 5 FGBDMO CCc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488986171 502854198 /nfs/dbraw/zinc/85/41/98/502854198.db2.gz QRTFZRBCPWUSDR-CQSZACIVSA-N 1 1 371.441 3.018 20 5 FGBDMO COc1ccc(C[N@H+]2CC[C@H]2CNc2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000599138899 506338966 /nfs/dbraw/zinc/33/89/66/506338966.db2.gz JFFXXPAOQPUJGC-INIZCTEOSA-N 1 1 357.410 3.298 20 5 FGBDMO COc1ccc(C[N@H+]2CC[C@@H]2CNc2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000599138900 506339394 /nfs/dbraw/zinc/33/93/94/506339394.db2.gz JFFXXPAOQPUJGC-MRXNPFEDSA-N 1 1 357.410 3.298 20 5 FGBDMO CC[C@@H](O)C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000501052221 502922869 /nfs/dbraw/zinc/92/28/69/502922869.db2.gz OENZOVSIDHGTSN-QGZVFWFLSA-N 1 1 371.437 3.197 20 5 FGBDMO O=C(NCc1ccccc1)C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000505606827 502948550 /nfs/dbraw/zinc/94/85/50/502948550.db2.gz JAOPFPKQOJTNDN-UHFFFAOYSA-N 1 1 371.412 3.262 20 5 FGBDMO COC(=O)c1c(Cl)c(NC[C@@H]2CCCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000599142603 506343155 /nfs/dbraw/zinc/34/31/55/506343155.db2.gz YAWWMPUNQZFKEZ-NSHDSACASA-N 1 1 355.822 3.179 20 5 FGBDMO C[N@H+]1C[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@H](c2ccccc2)C1 ZINC000497411349 502952542 /nfs/dbraw/zinc/95/25/42/502952542.db2.gz OMRHNUWFIAAZJO-IRXDYDNUSA-N 1 1 365.389 3.169 20 5 FGBDMO CC(C)[C@@H]1C[C@H]([NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000513665874 502995121 /nfs/dbraw/zinc/99/51/21/502995121.db2.gz HVCTYQIZKCTTRP-NJAFHUGGSA-N 1 1 358.442 3.211 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]CCCOc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000513684242 502999751 /nfs/dbraw/zinc/99/97/51/502999751.db2.gz PRCFLFOYHYOEAP-LJQANCHMSA-N 1 1 366.421 3.476 20 5 FGBDMO CCOc1ccccc1C[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000514132569 503095840 /nfs/dbraw/zinc/09/58/40/503095840.db2.gz MYTGVCANQBYMOD-UHFFFAOYSA-N 1 1 357.410 3.454 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C[C@H]1C ZINC000514200500 503111502 /nfs/dbraw/zinc/11/15/02/503111502.db2.gz VSZXSZFUETXENJ-YPMHNXCESA-N 1 1 371.384 3.141 20 5 FGBDMO CCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000501947299 503114536 /nfs/dbraw/zinc/11/45/36/503114536.db2.gz NBGOWWYHDJFIRM-HOCLYGCPSA-N 1 1 356.426 3.221 20 5 FGBDMO C/C(=C\c1nc([C@@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000514818224 503200579 /nfs/dbraw/zinc/20/05/79/503200579.db2.gz MPTMZWRMKJRAAG-UZLNTIBLSA-N 1 1 370.409 3.464 20 5 FGBDMO C/C(=C\c1nc([C@@H]2C[N@H+]3CCC[C@@]3(C)CO2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000514818224 503200583 /nfs/dbraw/zinc/20/05/83/503200583.db2.gz MPTMZWRMKJRAAG-UZLNTIBLSA-N 1 1 370.409 3.464 20 5 FGBDMO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511075583 503247310 /nfs/dbraw/zinc/24/73/10/503247310.db2.gz RWBMCTROBMIDNL-CVYDXHPNSA-N 1 1 361.486 3.399 20 5 FGBDMO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511075583 503247314 /nfs/dbraw/zinc/24/73/14/503247314.db2.gz RWBMCTROBMIDNL-CVYDXHPNSA-N 1 1 361.486 3.399 20 5 FGBDMO C[C@H](C(=O)N1CCc2ccccc21)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511118964 503260485 /nfs/dbraw/zinc/26/04/85/503260485.db2.gz COWNMKBYIHWFJR-OAHLLOKOSA-N 1 1 353.422 3.047 20 5 FGBDMO C[C@H](C(=O)N1CCc2ccccc21)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511118964 503260491 /nfs/dbraw/zinc/26/04/91/503260491.db2.gz COWNMKBYIHWFJR-OAHLLOKOSA-N 1 1 353.422 3.047 20 5 FGBDMO C[N@@H+](Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])n[nH]1)C1CCCCC1 ZINC000507504851 503310917 /nfs/dbraw/zinc/31/09/17/503310917.db2.gz ZFVNEWPWXIIKTO-UHFFFAOYSA-N 1 1 371.441 3.012 20 5 FGBDMO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC(CCCN2CCOCC2)CC1 ZINC000507705083 503351809 /nfs/dbraw/zinc/35/18/09/503351809.db2.gz VBGSRVOYACBSHX-DAXSKMNVSA-N 1 1 373.497 3.432 20 5 FGBDMO Cn1cc(C[N@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000499213606 503356175 /nfs/dbraw/zinc/35/61/75/503356175.db2.gz NYEDOAPBVYNFRL-MSOLQXFVSA-N 1 1 372.469 3.224 20 5 FGBDMO CCOc1cc(C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)ccc1[N+](=O)[O-] ZINC000492416176 503367679 /nfs/dbraw/zinc/36/76/79/503367679.db2.gz JACLFTPMQSOXLW-UHFFFAOYSA-N 1 1 369.421 3.257 20 5 FGBDMO NC(=O)c1ccc(NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c([N+](=O)[O-])c1 ZINC000493391055 503424319 /nfs/dbraw/zinc/42/43/19/503424319.db2.gz YUQHGWGMNBAFEC-ZDUSSCGKSA-N 1 1 374.466 3.079 20 5 FGBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000516103184 503446233 /nfs/dbraw/zinc/44/62/33/503446233.db2.gz ATPAHPFTAAWKTI-HWWQOWPSSA-N 1 1 351.834 3.051 20 5 FGBDMO O=[N+]([O-])c1ccc(CN2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000593069763 506372507 /nfs/dbraw/zinc/37/25/07/506372507.db2.gz UNLYIPKWWRODOP-RTWAWAEBSA-N 1 1 367.449 3.070 20 5 FGBDMO C[C@@H]1[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1Cc1ccccc1 ZINC000494026263 503476324 /nfs/dbraw/zinc/47/63/24/503476324.db2.gz HTTRPCMEZDOKMY-AUUYWEPGSA-N 1 1 371.412 3.056 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1cccc2[nH]ccc21 ZINC000494100734 503487995 /nfs/dbraw/zinc/48/79/95/503487995.db2.gz ZBRNPNSFZCARSW-UHFFFAOYSA-N 1 1 368.393 3.155 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1cccc2[nH]ccc21 ZINC000494100734 503488000 /nfs/dbraw/zinc/48/80/00/503488000.db2.gz ZBRNPNSFZCARSW-UHFFFAOYSA-N 1 1 368.393 3.155 20 5 FGBDMO C/C(=C\c1ccccc1)C[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000494233171 503508249 /nfs/dbraw/zinc/50/82/49/503508249.db2.gz GRTJPHFSUMVIPU-KZIRBZLESA-N 1 1 356.422 3.370 20 5 FGBDMO COc1ccccc1C[C@H](C)[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500126730 503560265 /nfs/dbraw/zinc/56/02/65/503560265.db2.gz UMRBUNLWUXLUBH-HNNXBMFYSA-N 1 1 371.437 3.495 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCCC[C@H]1C[C@@H](C)O ZINC000512470609 503562944 /nfs/dbraw/zinc/56/29/44/503562944.db2.gz ZVDWQFJZKSUVCJ-CVEARBPZSA-N 1 1 363.458 3.247 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@H](OCC3CC3)C2)cccc1[N+](=O)[O-] ZINC000494652468 503583320 /nfs/dbraw/zinc/58/33/20/503583320.db2.gz IMHPLWNHLINNDT-INIZCTEOSA-N 1 1 361.442 3.123 20 5 FGBDMO C[C@@]1(c2ccccc2)CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000500228606 503583507 /nfs/dbraw/zinc/58/35/07/503583507.db2.gz KDKVFFGUEWYQHA-HXUWFJFHSA-N 1 1 353.422 3.247 20 5 FGBDMO C[N@@H+]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c2ccccc2C1 ZINC000504820698 503620104 /nfs/dbraw/zinc/62/01/04/503620104.db2.gz UMJNKVJBWCYPCV-UHFFFAOYSA-N 1 1 364.405 3.028 20 5 FGBDMO C[N@H+]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c2ccccc2C1 ZINC000504820698 503620107 /nfs/dbraw/zinc/62/01/07/503620107.db2.gz UMJNKVJBWCYPCV-UHFFFAOYSA-N 1 1 364.405 3.028 20 5 FGBDMO Cc1ccc([C@@H]2CC[N@H+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000543254181 503701048 /nfs/dbraw/zinc/70/10/48/503701048.db2.gz UHEYYBYXXRQMSY-QGZVFWFLSA-N 1 1 353.422 3.356 20 5 FGBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](c3cccc(C)c3)C2)c([N+](=O)[O-])c1 ZINC000543254305 503701121 /nfs/dbraw/zinc/70/11/21/503701121.db2.gz XAZXHEWOJOUVNH-MRXNPFEDSA-N 1 1 369.421 3.340 20 5 FGBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](c3cccc(C)c3)C2)c([N+](=O)[O-])c1 ZINC000543254305 503701129 /nfs/dbraw/zinc/70/11/29/503701129.db2.gz XAZXHEWOJOUVNH-MRXNPFEDSA-N 1 1 369.421 3.340 20 5 FGBDMO O=C(C[NH+]1CCc2ccccc2CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000533300798 503799201 /nfs/dbraw/zinc/79/92/01/503799201.db2.gz QGKRNSWVJIPILM-UHFFFAOYSA-N 1 1 359.813 3.288 20 5 FGBDMO C[C@@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000517907878 503864655 /nfs/dbraw/zinc/86/46/55/503864655.db2.gz NORXTTVRJYSDGE-LBPRGKRZSA-N 1 1 356.348 3.373 20 5 FGBDMO CCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000546892992 503918994 /nfs/dbraw/zinc/91/89/94/503918994.db2.gz BZTQSEFURNJJNL-SFHVURJKSA-N 1 1 371.412 3.471 20 5 FGBDMO C[N@@H+](CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000547273427 504044191 /nfs/dbraw/zinc/04/41/91/504044191.db2.gz AGTRXJPIWZESQU-UHFFFAOYSA-N 1 1 365.449 3.392 20 5 FGBDMO CC1(C)C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])Cc2ccccc21 ZINC000541337805 504096249 /nfs/dbraw/zinc/09/62/49/504096249.db2.gz LCIKQORWZKIGNZ-MRXNPFEDSA-N 1 1 356.422 3.128 20 5 FGBDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000541350514 504102048 /nfs/dbraw/zinc/10/20/48/504102048.db2.gz XDFBKMAZSVERGQ-ROUUACIJSA-N 1 1 358.438 3.288 20 5 FGBDMO COc1ccc2cc(C[N@@H+](C)CCn3cc([N+](=O)[O-])ccc3=O)ccc2c1 ZINC000534869744 504265458 /nfs/dbraw/zinc/26/54/58/504265458.db2.gz KMCRFXFNLBYQPZ-UHFFFAOYSA-N 1 1 367.405 3.050 20 5 FGBDMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534983943 504302084 /nfs/dbraw/zinc/30/20/84/504302084.db2.gz NBVNXXNHDUVTDF-OAHLLOKOSA-N 1 1 364.405 3.080 20 5 FGBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000545148060 504375804 /nfs/dbraw/zinc/37/58/04/504375804.db2.gz DYJCJXCLQLNVEW-AWEZNQCLSA-N 1 1 351.422 3.002 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1OC(F)F ZINC000531656913 504381370 /nfs/dbraw/zinc/38/13/70/504381370.db2.gz XGDNYXSHJDGVQK-KBPBESRZSA-N 1 1 371.384 3.252 20 5 FGBDMO CC(C)[N@H+](Cc1ccc(F)cc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000542198991 504403149 /nfs/dbraw/zinc/40/31/49/504403149.db2.gz CFJHXCRARSAKQB-QGZVFWFLSA-N 1 1 362.401 3.384 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000542276874 504435240 /nfs/dbraw/zinc/43/52/40/504435240.db2.gz FQTUSPIVILWNAP-SFHVURJKSA-N 1 1 374.412 3.386 20 5 FGBDMO Cc1ccccc1[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000542279511 504437286 /nfs/dbraw/zinc/43/72/86/504437286.db2.gz HDLJIXWOFWJYJS-SJORKVTESA-N 1 1 356.422 3.132 20 5 FGBDMO Cc1cccc([C@@H]2CC[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)c1 ZINC000542322348 504450304 /nfs/dbraw/zinc/45/03/04/504450304.db2.gz ULDPWNZICYSKLP-QZTJIDSGSA-N 1 1 356.422 3.132 20 5 FGBDMO C[C@@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[N@@H+](C)Cc1ccccc1 ZINC000535694351 504509957 /nfs/dbraw/zinc/50/99/57/504509957.db2.gz BZHIZONBARCQLH-AWEZNQCLSA-N 1 1 366.421 3.326 20 5 FGBDMO COc1cc(N2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)c(F)cc1[N+](=O)[O-] ZINC000548662511 504514851 /nfs/dbraw/zinc/51/48/51/504514851.db2.gz GOPONVFEAPXDRA-GFCCVEGCSA-N 1 1 360.389 3.269 20 5 FGBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000535847868 504563118 /nfs/dbraw/zinc/56/31/18/504563118.db2.gz OTBZPNOSFLFYBT-LJQANCHMSA-N 1 1 356.422 3.247 20 5 FGBDMO CN(C)c1noc([C@H]2CCC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)n1 ZINC000548925313 504622368 /nfs/dbraw/zinc/62/23/68/504622368.db2.gz QOBBTLWHZKLURL-LBPRGKRZSA-N 1 1 365.821 3.077 20 5 FGBDMO CN(C)c1noc([C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)n1 ZINC000548925313 504622373 /nfs/dbraw/zinc/62/23/73/504622373.db2.gz QOBBTLWHZKLURL-LBPRGKRZSA-N 1 1 365.821 3.077 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@H](c2nc(N(C)C)no2)C1 ZINC000548936780 504628668 /nfs/dbraw/zinc/62/86/68/504628668.db2.gz MSQIHGXHPRYUQI-KBPBESRZSA-N 1 1 359.430 3.293 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000539818358 504700344 /nfs/dbraw/zinc/70/03/44/504700344.db2.gz XEXNBUFTQKRCOM-BEFAXECRSA-N 1 1 371.485 3.300 20 5 FGBDMO CCN1CC[C@H]([N@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000539818358 504700356 /nfs/dbraw/zinc/70/03/56/504700356.db2.gz XEXNBUFTQKRCOM-BEFAXECRSA-N 1 1 371.485 3.300 20 5 FGBDMO CCN1CC[C@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000539818358 504700358 /nfs/dbraw/zinc/70/03/58/504700358.db2.gz XEXNBUFTQKRCOM-BEFAXECRSA-N 1 1 371.485 3.300 20 5 FGBDMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000536623163 504770825 /nfs/dbraw/zinc/77/08/25/504770825.db2.gz DAGWNSGJKLBQRA-HUUCEWRRSA-N 1 1 353.422 3.355 20 5 FGBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000536623163 504770826 /nfs/dbraw/zinc/77/08/26/504770826.db2.gz DAGWNSGJKLBQRA-HUUCEWRRSA-N 1 1 353.422 3.355 20 5 FGBDMO CCN1CC[NH+](CCCNc2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000552933493 504790470 /nfs/dbraw/zinc/79/04/70/504790470.db2.gz ROFWTMPTUUZJBT-UHFFFAOYSA-N 1 1 361.273 3.341 20 5 FGBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC000559450145 504866531 /nfs/dbraw/zinc/86/65/31/504866531.db2.gz DPDPBJYOJPQILV-LJQANCHMSA-N 1 1 365.433 3.430 20 5 FGBDMO CN1CC[C@@H]([N@H+](C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O ZINC000565436317 504886380 /nfs/dbraw/zinc/88/63/80/504886380.db2.gz SMPYOQAQDLQWGN-OAHLLOKOSA-N 1 1 363.801 3.171 20 5 FGBDMO CN1CC[C@@H]([N@@H+](C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O ZINC000565436317 504886385 /nfs/dbraw/zinc/88/63/85/504886385.db2.gz SMPYOQAQDLQWGN-OAHLLOKOSA-N 1 1 363.801 3.171 20 5 FGBDMO O=C1[C@H]([N@@H+]2CC[C@@H](c3cccc(F)c3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000553490146 504930473 /nfs/dbraw/zinc/93/04/73/504930473.db2.gz HSSODIYQNJARON-DNVCBOLYSA-N 1 1 369.396 3.329 20 5 FGBDMO O=C1[C@H]([N@H+]2CC[C@@H](c3cccc(F)c3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000553490146 504930477 /nfs/dbraw/zinc/93/04/77/504930477.db2.gz HSSODIYQNJARON-DNVCBOLYSA-N 1 1 369.396 3.329 20 5 FGBDMO C[C@@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000556889302 505007948 /nfs/dbraw/zinc/00/79/48/505007948.db2.gz CJBLFNZJFXZAGR-SWLSCSKDSA-N 1 1 357.439 3.268 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@@H](OC(C)C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000563068587 505039105 /nfs/dbraw/zinc/03/91/05/505039105.db2.gz OHGSUSRKVVJZTR-GFCCVEGCSA-N 1 1 360.357 3.204 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@H](OC(C)C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000563068587 505039107 /nfs/dbraw/zinc/03/91/07/505039107.db2.gz OHGSUSRKVVJZTR-GFCCVEGCSA-N 1 1 360.357 3.204 20 5 FGBDMO C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000560526428 505115783 /nfs/dbraw/zinc/11/57/83/505115783.db2.gz DKWBWUOJNBXSEM-AUUYWEPGSA-N 1 1 366.421 3.344 20 5 FGBDMO CC1(C)C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1c1cccs1 ZINC000554310839 505142467 /nfs/dbraw/zinc/14/24/67/505142467.db2.gz SOAYQINGRYFYLX-WMLDXEAASA-N 1 1 362.451 3.479 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)o1 ZINC000563483122 505152387 /nfs/dbraw/zinc/15/23/87/505152387.db2.gz RFIXVHSNHMLBIX-IBGZPJMESA-N 1 1 358.394 3.236 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCO[C@@]3(CCCOC3)C2)o1 ZINC000563483122 505152390 /nfs/dbraw/zinc/15/23/90/505152390.db2.gz RFIXVHSNHMLBIX-IBGZPJMESA-N 1 1 358.394 3.236 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)CC23CCCCC3)c1 ZINC000554906529 505295857 /nfs/dbraw/zinc/29/58/57/505295857.db2.gz ZYZWXVPJMODLSX-UHFFFAOYSA-N 1 1 361.442 3.084 20 5 FGBDMO C[C@@H](CCNc1cccc(C(N)=O)c1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000561265989 505298768 /nfs/dbraw/zinc/29/87/68/505298768.db2.gz WNGWYPSMIHESCS-AWEZNQCLSA-N 1 1 356.426 3.016 20 5 FGBDMO C[C@H](C(=O)N(C)CCc1ccccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000561332564 505316976 /nfs/dbraw/zinc/31/69/76/505316976.db2.gz KTLSYEKWINFJAK-MRXNPFEDSA-N 1 1 367.449 3.043 20 5 FGBDMO COc1ccc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c([N+](=O)[O-])c1 ZINC000558462488 505397066 /nfs/dbraw/zinc/39/70/66/505397066.db2.gz DZZZFWNVMZKRNO-SFHVURJKSA-N 1 1 372.421 3.273 20 5 FGBDMO CC[C@H](c1ccccc1OC)[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567418069 505455839 /nfs/dbraw/zinc/45/58/39/505455839.db2.gz IXNIPLOFGLEZCV-NVXWUHKLSA-N 1 1 374.437 3.426 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558740422 505480001 /nfs/dbraw/zinc/48/00/01/505480001.db2.gz JDNMBNMTIPWPIY-LBPRGKRZSA-N 1 1 363.364 3.375 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558740422 505480004 /nfs/dbraw/zinc/48/00/04/505480004.db2.gz JDNMBNMTIPWPIY-LBPRGKRZSA-N 1 1 363.364 3.375 20 5 FGBDMO O=[N+]([O-])c1ccccc1C=CC[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000552522828 505508034 /nfs/dbraw/zinc/50/80/34/505508034.db2.gz HYTAUMPDVXCXHL-GIZXNFQBSA-N 1 1 353.426 3.483 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@@H](c4ccncc4)C3)n2)c1 ZINC000555879002 505531605 /nfs/dbraw/zinc/53/16/05/505531605.db2.gz TYPVXEYPZSOTAM-OAHLLOKOSA-N 1 1 351.366 3.029 20 5 FGBDMO C[N@@H+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000552804741 505557481 /nfs/dbraw/zinc/55/74/81/505557481.db2.gz NOITWEJJIIRJNR-MRXNPFEDSA-N 1 1 373.840 3.247 20 5 FGBDMO C[N@H+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000552804741 505557484 /nfs/dbraw/zinc/55/74/84/505557484.db2.gz NOITWEJJIIRJNR-MRXNPFEDSA-N 1 1 373.840 3.247 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000612101898 506434120 /nfs/dbraw/zinc/43/41/20/506434120.db2.gz VVEVSCYODWHJFL-YESZJQIVSA-N 1 1 355.442 3.041 20 5 FGBDMO O=[N+]([O-])c1cnccc1N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000612101797 506434377 /nfs/dbraw/zinc/43/43/77/506434377.db2.gz OJJAATTTWGDXID-KZNAEPCWSA-N 1 1 352.438 3.124 20 5 FGBDMO CC(C)C[N@@H+](C)CCCNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000593207574 506465510 /nfs/dbraw/zinc/46/55/10/506465510.db2.gz IPOXCJYYWRSPCY-AWEZNQCLSA-N 1 1 353.488 3.170 20 5 FGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCc1nc(-c3ccccc3)no1)CCO2 ZINC000589303464 506509806 /nfs/dbraw/zinc/50/98/06/506509806.db2.gz WDEOJOJIWKDRSK-UHFFFAOYSA-N 1 1 366.377 3.082 20 5 FGBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCc1nc(-c3ccccc3)no1)CCO2 ZINC000589303464 506509808 /nfs/dbraw/zinc/50/98/08/506509808.db2.gz WDEOJOJIWKDRSK-UHFFFAOYSA-N 1 1 366.377 3.082 20 5 FGBDMO C[N@@H+](CCCNC(=O)CCNc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000603477878 506524946 /nfs/dbraw/zinc/52/49/46/506524946.db2.gz AVCQOSOAXQBBFX-UHFFFAOYSA-N 1 1 362.474 3.168 20 5 FGBDMO CC1(C)[C@@H](c2ccc(F)cc2)CC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000599623030 506535385 /nfs/dbraw/zinc/53/53/85/506535385.db2.gz UFJZARLFPNZHAK-QGZVFWFLSA-N 1 1 359.401 3.164 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](CCc2nccs2)C(C)C)c1 ZINC000589503830 506572637 /nfs/dbraw/zinc/57/26/37/506572637.db2.gz XJTOUVBKAQVLSW-UHFFFAOYSA-N 1 1 363.439 3.291 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1 ZINC000589516114 506575648 /nfs/dbraw/zinc/57/56/48/506575648.db2.gz CXDLDDYWPFFIHM-HUUCEWRRSA-N 1 1 362.426 3.020 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596837438 506628155 /nfs/dbraw/zinc/62/81/55/506628155.db2.gz VEURNFDPOMSUSR-MRXNPFEDSA-N 1 1 360.458 3.455 20 5 FGBDMO C[C@@H]1C[N@@H+](C(C)(C)CNc2ccc3ncccc3c2[N+](=O)[O-])C[C@H](C)O1 ZINC000603847178 506632791 /nfs/dbraw/zinc/63/27/91/506632791.db2.gz UYBVHUGUDKKJFL-OKILXGFUSA-N 1 1 358.442 3.443 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)[C@@H](C)C1 ZINC000599832027 506665033 /nfs/dbraw/zinc/66/50/33/506665033.db2.gz RRUAXCHOVHQUBW-SUMWQHHRSA-N 1 1 371.441 3.337 20 5 FGBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599836587 506668103 /nfs/dbraw/zinc/66/81/03/506668103.db2.gz UZYVNGFBSAXSBW-CYBMUJFWSA-N 1 1 359.430 3.385 20 5 FGBDMO O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000599834952 506668439 /nfs/dbraw/zinc/66/84/39/506668439.db2.gz QDKZFYFJMOGLRC-AEFFLSMTSA-N 1 1 369.425 3.281 20 5 FGBDMO C[C@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000589877291 506670246 /nfs/dbraw/zinc/67/02/46/506670246.db2.gz AXMMVZKHPIEOCF-LLVKDONJSA-N 1 1 369.263 3.063 20 5 FGBDMO CNc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000604312327 506783478 /nfs/dbraw/zinc/78/34/78/506783478.db2.gz SSYSOJFQZPJLJB-RHSMWYFYSA-N 1 1 368.437 3.202 20 5 FGBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000590427050 506820532 /nfs/dbraw/zinc/82/05/32/506820532.db2.gz KNJXLBJCUCQCKC-IBGZPJMESA-N 1 1 367.449 3.166 20 5 FGBDMO CO[C@]1(CO)CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000597185970 506821809 /nfs/dbraw/zinc/82/18/09/506821809.db2.gz AJVFVFHIVVJQGN-GOSISDBHSA-N 1 1 362.451 3.297 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+]3C[C@@H]4COC[C@]4(C)C3)o2)c([N+](=O)[O-])c1 ZINC000597210503 506837706 /nfs/dbraw/zinc/83/77/06/506837706.db2.gz HOMZLJGXRGTOQN-YJYMSZOUSA-N 1 1 358.394 3.332 20 5 FGBDMO CC[N@H+]1C[C@@H](C)N(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000583588405 506863184 /nfs/dbraw/zinc/86/31/84/506863184.db2.gz BMNRQQYDEIFLIP-MJBXVCDLSA-N 1 1 351.472 3.017 20 5 FGBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000583588405 506863196 /nfs/dbraw/zinc/86/31/96/506863196.db2.gz BMNRQQYDEIFLIP-MJBXVCDLSA-N 1 1 351.472 3.017 20 5 FGBDMO COc1cc(NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])cc1C ZINC000590587187 506869246 /nfs/dbraw/zinc/86/92/46/506869246.db2.gz XAIMCGVJTLXOPM-GASCZTMLSA-N 1 1 351.447 3.213 20 5 FGBDMO CC1(C)CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000609448658 506885015 /nfs/dbraw/zinc/88/50/15/506885015.db2.gz VVACMHWJJMMONG-UHFFFAOYSA-N 1 1 371.412 3.471 20 5 FGBDMO CC1(C)CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000609448658 506885026 /nfs/dbraw/zinc/88/50/26/506885026.db2.gz VVACMHWJJMMONG-UHFFFAOYSA-N 1 1 371.412 3.471 20 5 FGBDMO C[N@H+]1CCCC[C@@H](CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000600311169 506898397 /nfs/dbraw/zinc/89/83/97/506898397.db2.gz ADNCCBJYOWVBEC-LBPRGKRZSA-N 1 1 371.890 3.188 20 5 FGBDMO C[N@H+]1CCCC[C@H](CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000600311926 506899140 /nfs/dbraw/zinc/89/91/40/506899140.db2.gz CXVWMEUEQXBAOM-LLVKDONJSA-N 1 1 359.348 3.075 20 5 FGBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000600470954 506961979 /nfs/dbraw/zinc/96/19/79/506961979.db2.gz QEWIIADBJHMNAE-LPHOPBHVSA-N 1 1 359.470 3.297 20 5 FGBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000600467585 506962143 /nfs/dbraw/zinc/96/21/43/506962143.db2.gz ALPGRWAVHBPCLA-ZDUSSCGKSA-N 1 1 371.359 3.360 20 5 FGBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCC1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000600469878 506962714 /nfs/dbraw/zinc/96/27/14/506962714.db2.gz LZOCYYJPGZEPMZ-CYBMUJFWSA-N 1 1 371.359 3.360 20 5 FGBDMO C[C@H](C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H](C)CO)c1ccccc1 ZINC000583830613 506997971 /nfs/dbraw/zinc/99/79/71/506997971.db2.gz JXGMCMWVECEZHJ-CABCVRRESA-N 1 1 368.437 3.458 20 5 FGBDMO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000609916223 507048946 /nfs/dbraw/zinc/04/89/46/507048946.db2.gz FMZZIYIZHKEKBI-OGWOLHLISA-N 1 1 374.412 3.352 20 5 FGBDMO C[C@H]1c2ccc(F)cc2CC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000610003966 507069470 /nfs/dbraw/zinc/06/94/70/507069470.db2.gz UUYCMBGDGXDVMJ-SUMWQHHRSA-N 1 1 360.385 3.093 20 5 FGBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000597858110 507136736 /nfs/dbraw/zinc/13/67/36/507136736.db2.gz JQSCEZKZICMMJR-AAEUAGOBSA-N 1 1 369.849 3.005 20 5 FGBDMO CSc1cccc(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597859992 507136846 /nfs/dbraw/zinc/13/68/46/507136846.db2.gz JIQSZABWSHKYTR-LBPRGKRZSA-N 1 1 351.472 3.167 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000597859066 507137622 /nfs/dbraw/zinc/13/76/22/507137622.db2.gz RHPWSAAJWQPASX-JTQLQIEISA-N 1 1 359.348 3.216 20 5 FGBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597861850 507139361 /nfs/dbraw/zinc/13/93/61/507139361.db2.gz XEVDNLCZVNALGB-SJORKVTESA-N 1 1 361.486 3.400 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000597924390 507177292 /nfs/dbraw/zinc/17/72/92/507177292.db2.gz QMYLUIMNKFCKOV-LLVKDONJSA-N 1 1 359.348 3.216 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000610316901 507190096 /nfs/dbraw/zinc/19/00/96/507190096.db2.gz DTHZGHFOUDOTLR-SFHVURJKSA-N 1 1 354.410 3.333 20 5 FGBDMO CCCn1cc[nH+]c1CCCN(C)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601154931 507281165 /nfs/dbraw/zinc/28/11/65/507281165.db2.gz BJCOCINHYWREJW-UHFFFAOYSA-N 1 1 374.367 3.023 20 5 FGBDMO CC[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@@H]1C ZINC000613860850 507283231 /nfs/dbraw/zinc/28/32/31/507283231.db2.gz ILOXHXNTWFBMKB-JTQLQIEISA-N 1 1 360.336 3.172 20 5 FGBDMO Cc1c(C(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000598194025 507306286 /nfs/dbraw/zinc/30/62/86/507306286.db2.gz DJURAOBMNBPWFR-GOSISDBHSA-N 1 1 367.449 3.292 20 5 FGBDMO C[C@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CC[N@H+](C2CCC2)C1 ZINC000584386516 507315192 /nfs/dbraw/zinc/31/51/92/507315192.db2.gz NBDBZPGSERYQAP-LLVKDONJSA-N 1 1 369.263 3.063 20 5 FGBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000598218945 507323483 /nfs/dbraw/zinc/32/34/83/507323483.db2.gz JUIQTXGDAQRWPG-CQSZACIVSA-N 1 1 365.861 3.314 20 5 FGBDMO CCc1ccc([C@@H]([NH2+]CC[C@@H](O)C(F)F)c2ccc([N+](=O)[O-])cc2)o1 ZINC000601298260 507327085 /nfs/dbraw/zinc/32/70/85/507327085.db2.gz FZLVFFJXSZDKAT-ZBFHGGJFSA-N 1 1 354.353 3.445 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)C1=O ZINC000595013069 507354437 /nfs/dbraw/zinc/35/44/37/507354437.db2.gz GUDIPORSOCUVAS-KBXCAEBGSA-N 1 1 369.421 3.055 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)c1 ZINC000610706746 507356650 /nfs/dbraw/zinc/35/66/50/507356650.db2.gz SSVHSBAGDWWFHZ-IBGZPJMESA-N 1 1 372.396 3.263 20 5 FGBDMO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000584461857 507358089 /nfs/dbraw/zinc/35/80/89/507358089.db2.gz DFLCHOWPWCOFPQ-CPUCHLNUSA-N 1 1 374.412 3.481 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cc2ccccc2n(C)c1=O ZINC000595040713 507365258 /nfs/dbraw/zinc/36/52/58/507365258.db2.gz ZXRKIIDYVLCAEY-ZDUSSCGKSA-N 1 1 367.405 3.306 20 5 FGBDMO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000610803536 507395862 /nfs/dbraw/zinc/39/58/62/507395862.db2.gz BTUWWBHOHYJWJR-QFBILLFUSA-N 1 1 368.437 3.050 20 5 FGBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000598466186 507437187 /nfs/dbraw/zinc/43/71/87/507437187.db2.gz NEZOLHHOASEUSY-ZDUSSCGKSA-N 1 1 353.488 3.312 20 5 FGBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000598508340 507465061 /nfs/dbraw/zinc/46/50/61/507465061.db2.gz GOOYHHFSPXYQNZ-KRWDZBQOSA-N 1 1 371.462 3.078 20 5 FGBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000598508340 507465065 /nfs/dbraw/zinc/46/50/65/507465065.db2.gz GOOYHHFSPXYQNZ-KRWDZBQOSA-N 1 1 371.462 3.078 20 5 FGBDMO Cc1noc(C[NH+]2CCC(N3c4ccccc4C[C@@H]3C)CC2)c1[N+](=O)[O-] ZINC000595361395 507470387 /nfs/dbraw/zinc/47/03/87/507470387.db2.gz UVXYFCPHDSMGID-ZDUSSCGKSA-N 1 1 356.426 3.307 20 5 FGBDMO O=C(NC1CCCCC1)C1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595361116 507470774 /nfs/dbraw/zinc/47/07/74/507470774.db2.gz PHRMLUYLRBVUEQ-UHFFFAOYSA-N 1 1 363.433 3.395 20 5 FGBDMO COc1cncc(C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)c1 ZINC000592132735 507497567 /nfs/dbraw/zinc/49/75/67/507497567.db2.gz NKUYASWHZIWZND-IYARVYRRSA-N 1 1 371.437 3.304 20 5 FGBDMO COc1cncc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)c1 ZINC000592132735 507497572 /nfs/dbraw/zinc/49/75/72/507497572.db2.gz NKUYASWHZIWZND-IYARVYRRSA-N 1 1 371.437 3.304 20 5 FGBDMO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000595476337 507519487 /nfs/dbraw/zinc/51/94/87/507519487.db2.gz NXDSVQFMDGGJER-GFCCVEGCSA-N 1 1 366.414 3.378 20 5 FGBDMO Cc1c(NC(=O)CC[N@@H+]2CC3(C[C@@H]2C)CCOCC3)cccc1[N+](=O)[O-] ZINC000592185405 507527832 /nfs/dbraw/zinc/52/78/32/507527832.db2.gz YTKGYTZFXHEQFE-AWEZNQCLSA-N 1 1 361.442 3.123 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC(c4cccnc4)CC3)n2)c1 ZINC000611258714 507586056 /nfs/dbraw/zinc/58/60/56/507586056.db2.gz FPKUGFWKJJIRCM-UHFFFAOYSA-N 1 1 365.393 3.419 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000611303459 507613068 /nfs/dbraw/zinc/61/30/68/507613068.db2.gz UWCXSADQJGHTAD-AWEZNQCLSA-N 1 1 361.442 3.444 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)[C@@H]2CCCC[C@@H]12 ZINC000595731001 507652431 /nfs/dbraw/zinc/65/24/31/507652431.db2.gz FNZCMKUMPRZCJH-GVDBMIGSSA-N 1 1 362.426 3.157 20 5 FGBDMO O=[N+]([O-])c1cc(F)c(C[NH+]2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)c(F)c1 ZINC000586760951 507662641 /nfs/dbraw/zinc/66/26/41/507662641.db2.gz YQQZYCPEQHEYBY-KBPBESRZSA-N 1 1 359.376 3.441 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000611402513 507664261 /nfs/dbraw/zinc/66/42/61/507664261.db2.gz SEIJUESEMNECDZ-AWEZNQCLSA-N 1 1 363.483 3.309 20 5 FGBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](CCF)C2)c([N+](=O)[O-])c1 ZINC000595754849 507667990 /nfs/dbraw/zinc/66/79/90/507667990.db2.gz DISHRUKGSAGNDW-QWHCGFSZSA-N 1 1 353.394 3.002 20 5 FGBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](CCF)C2)c([N+](=O)[O-])c1 ZINC000595754849 507667994 /nfs/dbraw/zinc/66/79/94/507667994.db2.gz DISHRUKGSAGNDW-QWHCGFSZSA-N 1 1 353.394 3.002 20 5 FGBDMO Cc1noc(C)c1[C@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000611409136 507668182 /nfs/dbraw/zinc/66/81/82/507668182.db2.gz RUNWKGHTEGYZPQ-QMMMGPOBSA-N 1 1 352.778 3.142 20 5 FGBDMO C[C@H]1CC2(C[N@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CCOCC2 ZINC000592527187 507696912 /nfs/dbraw/zinc/69/69/12/507696912.db2.gz MGYRFOHYZPPDBN-HNNXBMFYSA-N 1 1 370.453 3.386 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@@H](Oc4ccccc4)C3)n2)c1 ZINC000595832037 507707416 /nfs/dbraw/zinc/70/74/16/507707416.db2.gz OTYPKOMZJDNFAI-QGZVFWFLSA-N 1 1 366.377 3.298 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@@H](Oc4ccccc4)C3)n2)c1 ZINC000595832037 507707422 /nfs/dbraw/zinc/70/74/22/507707422.db2.gz OTYPKOMZJDNFAI-QGZVFWFLSA-N 1 1 366.377 3.298 20 5 FGBDMO Cn1c2cc(C[N@H+](Cc3ccccc3[N+](=O)[O-])C3CC3)ccc2oc1=O ZINC000602439204 507711546 /nfs/dbraw/zinc/71/15/46/507711546.db2.gz JDOVLRYQWQFCGY-UHFFFAOYSA-N 1 1 353.378 3.204 20 5 FGBDMO Cn1c2cc(C[N@@H+](Cc3ccccc3[N+](=O)[O-])C3CC3)ccc2oc1=O ZINC000602439204 507711547 /nfs/dbraw/zinc/71/15/47/507711547.db2.gz JDOVLRYQWQFCGY-UHFFFAOYSA-N 1 1 353.378 3.204 20 5 FGBDMO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1CCOc3c(F)cccc31)OCCO2 ZINC000614993455 507716120 /nfs/dbraw/zinc/71/61/20/507716120.db2.gz QLMIJGQRZFYAFD-CQSZACIVSA-N 1 1 360.341 3.119 20 5 FGBDMO O=[N+]([O-])c1sc(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)cc1Br ZINC000602479092 507720857 /nfs/dbraw/zinc/72/08/57/507720857.db2.gz DTCXGEBCHPZXEP-UWVGGRQHSA-N 1 1 361.261 3.277 20 5 FGBDMO O=[N+]([O-])c1sc(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)cc1Br ZINC000602479092 507720862 /nfs/dbraw/zinc/72/08/62/507720862.db2.gz DTCXGEBCHPZXEP-UWVGGRQHSA-N 1 1 361.261 3.277 20 5 FGBDMO C[C@@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000611560749 507739556 /nfs/dbraw/zinc/73/95/56/507739556.db2.gz MXPHGDMTDVWLTQ-KBXCAEBGSA-N 1 1 351.410 3.206 20 5 FGBDMO Cc1ccc(NCCCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[nH+]c1 ZINC000536518920 562577697 /nfs/dbraw/zinc/57/76/97/562577697.db2.gz MVPLUTSUBFPAAN-UHFFFAOYSA-N 1 1 353.382 3.012 20 5 FGBDMO NC(=O)[C@@H]1C[N@H+](Cc2c3ccccc3c(Cl)c3ccccc32)CCO1 ZINC000092734926 700441073 /nfs/dbraw/zinc/44/10/73/700441073.db2.gz YAHKNMFHKMDACB-SFHVURJKSA-N 1 1 354.837 3.333 20 5 FGBDMO NC(=O)[C@@H]1C[N@@H+](Cc2c3ccccc3c(Cl)c3ccccc32)CCO1 ZINC000092734926 700441077 /nfs/dbraw/zinc/44/10/77/700441077.db2.gz YAHKNMFHKMDACB-SFHVURJKSA-N 1 1 354.837 3.333 20 5 FGBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)Cc1ccccc1 ZINC000110355757 700540680 /nfs/dbraw/zinc/54/06/80/700540680.db2.gz GZZGXOHCLBEOID-ZDUSSCGKSA-N 1 1 361.829 3.499 20 5 FGBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)CCc1ccccn1 ZINC000129913899 700793334 /nfs/dbraw/zinc/79/33/34/700793334.db2.gz WWUFWFFATRRAHO-LBPRGKRZSA-N 1 1 362.817 3.145 20 5 FGBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)CCc1ccccn1 ZINC000129913899 700793336 /nfs/dbraw/zinc/79/33/36/700793336.db2.gz WWUFWFFATRRAHO-LBPRGKRZSA-N 1 1 362.817 3.145 20 5 FGBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)CCc1ccccn1 ZINC000129914098 700793403 /nfs/dbraw/zinc/79/34/03/700793403.db2.gz WWUFWFFATRRAHO-GFCCVEGCSA-N 1 1 362.817 3.145 20 5 FGBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)CCc1ccccn1 ZINC000129914098 700793405 /nfs/dbraw/zinc/79/34/05/700793405.db2.gz WWUFWFFATRRAHO-GFCCVEGCSA-N 1 1 362.817 3.145 20 5 FGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000137009603 704866864 /nfs/dbraw/zinc/86/68/64/704866864.db2.gz WBAOBJMZGLKKIL-SFHVURJKSA-N 1 1 361.829 3.104 20 5 FGBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000155201641 705067951 /nfs/dbraw/zinc/06/79/51/705067951.db2.gz NKSPSPVROQAPSF-SNVBAGLBSA-N 1 1 373.251 3.209 20 5 FGBDMO Cc1nn(C)c(Cl)c1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174247241 705494087 /nfs/dbraw/zinc/49/40/87/705494087.db2.gz CRDFYKSCRFXRPB-UHFFFAOYSA-N 1 1 364.833 3.334 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000180806604 705759054 /nfs/dbraw/zinc/75/90/54/705759054.db2.gz AWZROXUDDXXLJQ-UHFFFAOYSA-N 1 1 363.483 3.263 20 5 FGBDMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000304067543 713790979 /nfs/dbraw/zinc/79/09/79/713790979.db2.gz VWJDUWGZRVAIIX-OAHLLOKOSA-N 1 1 359.813 3.253 20 5 FGBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000522745406 714204325 /nfs/dbraw/zinc/20/43/25/714204325.db2.gz WJMLQPBGYMXQLE-UHFFFAOYSA-N 1 1 367.877 3.370 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000524888583 714308010 /nfs/dbraw/zinc/30/80/10/714308010.db2.gz DWEVJUKSQPFPFZ-OCCSQVGLSA-N 1 1 351.472 3.262 20 5 FGBDMO C[N@H+]1CCC[C@H](N2CCN(c3c(Cl)cc([N+](=O)[O-])cc3Cl)CC2)C1 ZINC000772064174 723750041 /nfs/dbraw/zinc/75/00/41/723750041.db2.gz KRQAVWLDUAYHKI-LBPRGKRZSA-N 1 1 373.284 3.118 20 5 FGBDMO Cc1ccnc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC001164622791 719065574 /nfs/dbraw/zinc/06/55/74/719065574.db2.gz IUFUPTWYQAPZKZ-QZTJIDSGSA-N 1 1 352.438 3.399 20 5 FGBDMO Cc1cc(Cl)nc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c1[N+](=O)[O-] ZINC001164725379 720362127 /nfs/dbraw/zinc/36/21/27/720362127.db2.gz NBRZPRRSCPLVAP-GJZGRUSLSA-N 1 1 373.844 3.200 20 5 FGBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164724689 720365988 /nfs/dbraw/zinc/36/59/88/720365988.db2.gz KNHZYJYYYVCYTF-JKSUJKDBSA-N 1 1 373.844 3.200 20 5 FGBDMO Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])c(Cl)c2)cn1 ZINC000783579994 724767570 /nfs/dbraw/zinc/76/75/70/724767570.db2.gz MDCDCCYRIDVDFH-RHSMWYFYSA-N 1 1 364.833 3.070 20 5 FGBDMO CC(C)c1[nH+]ccn1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000744276919 722575267 /nfs/dbraw/zinc/57/52/67/722575267.db2.gz DGPWPZJSQCOYIY-UHFFFAOYSA-N 1 1 351.794 3.390 20 5 FGBDMO C[N@H+]1CCCC[C@H]1CCOC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790741723 723172203 /nfs/dbraw/zinc/17/22/03/723172203.db2.gz PYDUNZMKMUUNHM-LBPRGKRZSA-N 1 1 358.797 3.347 20 5 FGBDMO C[C@H]1C[N@@H+](CCCNc2cc(Br)ccc2[N+](=O)[O-])CCCO1 ZINC000763057679 723307443 /nfs/dbraw/zinc/30/74/43/723307443.db2.gz OCZFUUXMOYJIFI-LBPRGKRZSA-N 1 1 372.263 3.270 20 5 FGBDMO CC[C@@H]1CC[N@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000795439611 723591584 /nfs/dbraw/zinc/59/15/84/723591584.db2.gz PRLUZYOASSHFGO-SNVBAGLBSA-N 1 1 368.231 3.003 20 5 FGBDMO CC[C@@H]1CC[N@@H+](CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000795439611 723591586 /nfs/dbraw/zinc/59/15/86/723591586.db2.gz PRLUZYOASSHFGO-SNVBAGLBSA-N 1 1 368.231 3.003 20 5 FGBDMO COCC[C@H]1CCCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000767941414 723640769 /nfs/dbraw/zinc/64/07/69/723640769.db2.gz QUTBCFPEMNFKJE-CYBMUJFWSA-N 1 1 369.849 3.325 20 5 FGBDMO Cc1sc(C(=O)OCC[N@H+](C)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000769074729 723676229 /nfs/dbraw/zinc/67/62/29/723676229.db2.gz PPZBYIANYKOQRZ-UHFFFAOYSA-N 1 1 352.387 3.393 20 5 FGBDMO Cc1[nH+]ccn1CCOC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000772024668 723748910 /nfs/dbraw/zinc/74/89/10/723748910.db2.gz SAEWILOQAKUUTC-UHFFFAOYSA-N 1 1 368.187 3.028 20 5 FGBDMO CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000798964045 723980972 /nfs/dbraw/zinc/98/09/72/723980972.db2.gz MDPIFEJKMRYOQK-QGZVFWFLSA-N 1 1 370.833 3.040 20 5 FGBDMO CCOC(=O)[C@]1(COC)CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000798964045 723980973 /nfs/dbraw/zinc/98/09/73/723980973.db2.gz MDPIFEJKMRYOQK-QGZVFWFLSA-N 1 1 370.833 3.040 20 5 FGBDMO CC(C)(C)[N@H+]1CCCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000778254912 724315755 /nfs/dbraw/zinc/31/57/55/724315755.db2.gz YMLAZXSYWOHFAU-UHFFFAOYSA-N 1 1 355.385 3.019 20 5 FGBDMO CC[NH+](CC)Cc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000786890065 725005985 /nfs/dbraw/zinc/00/59/85/725005985.db2.gz VMPUQWSCIOBWGO-UHFFFAOYSA-N 1 1 369.468 3.299 20 5 FGBDMO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CC[C@@]4(C3)CCCOC4)c2c(Cl)c1 ZINC000789541062 725135264 /nfs/dbraw/zinc/13/52/64/725135264.db2.gz LJXOFMUPRWRQLJ-MRXNPFEDSA-N 1 1 350.806 3.058 20 5 FGBDMO O=[N+]([O-])c1cc2cnn(C[N@H+]3CC[C@@]4(C3)CCCOC4)c2c(Cl)c1 ZINC000789541062 725135266 /nfs/dbraw/zinc/13/52/66/725135266.db2.gz LJXOFMUPRWRQLJ-MRXNPFEDSA-N 1 1 350.806 3.058 20 5 FGBDMO CC(C)(C(=O)OCc1ccc(Br)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000820659850 729014963 /nfs/dbraw/zinc/01/49/63/729014963.db2.gz MWJDEAUYCMXMAB-UHFFFAOYSA-N 1 1 371.231 3.275 20 5 FGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)c1 ZINC000823629455 729294201 /nfs/dbraw/zinc/29/42/01/729294201.db2.gz VZTUSPIIMPVAMM-FGTMMUONSA-N 1 1 362.813 3.090 20 5 FGBDMO Cc1cc(Cl)c(C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000825529198 729386732 /nfs/dbraw/zinc/38/67/32/729386732.db2.gz ATJZAASSBSTTQO-WCQYABFASA-N 1 1 353.850 3.407 20 5 FGBDMO C[C@@H](CO)C1CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000844417163 730715153 /nfs/dbraw/zinc/71/51/53/730715153.db2.gz SHDHTMCHTHSCFQ-NSHDSACASA-N 1 1 357.248 3.198 20 5 FGBDMO C[C@H]([NH2+]Cc1ccc(OCC(F)(F)F)nn1)c1ccc([N+](=O)[O-])cc1 ZINC000846927074 730995831 /nfs/dbraw/zinc/99/58/31/730995831.db2.gz CDAPOWHBFYAFSP-JTQLQIEISA-N 1 1 356.304 3.177 20 5 FGBDMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000851746051 731491098 /nfs/dbraw/zinc/49/10/98/731491098.db2.gz OVBPAIWWPVBAPE-LBPRGKRZSA-N 1 1 353.394 3.081 20 5 FGBDMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000851746051 731491103 /nfs/dbraw/zinc/49/11/03/731491103.db2.gz OVBPAIWWPVBAPE-LBPRGKRZSA-N 1 1 353.394 3.081 20 5 FGBDMO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000851746050 731491251 /nfs/dbraw/zinc/49/12/51/731491251.db2.gz OVBPAIWWPVBAPE-GFCCVEGCSA-N 1 1 353.394 3.081 20 5 FGBDMO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000851746050 731491254 /nfs/dbraw/zinc/49/12/54/731491254.db2.gz OVBPAIWWPVBAPE-GFCCVEGCSA-N 1 1 353.394 3.081 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](CC=C(Cl)Cl)CC3)nc2c1 ZINC000851935114 731521622 /nfs/dbraw/zinc/52/16/22/731521622.db2.gz MDRNQRYTZGLHJX-UHFFFAOYSA-N 1 1 370.240 3.302 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](CC=C(Cl)Cl)CC3)nc2c1 ZINC000851935114 731521625 /nfs/dbraw/zinc/52/16/25/731521625.db2.gz MDRNQRYTZGLHJX-UHFFFAOYSA-N 1 1 370.240 3.302 20 5 FGBDMO O=[N+]([O-])c1cccc(C[N@H+](C2CC2)C2(CO)CCC2)c1Br ZINC000852159561 731550158 /nfs/dbraw/zinc/55/01/58/731550158.db2.gz NVKCAENJBKHKFX-UHFFFAOYSA-N 1 1 355.232 3.237 20 5 FGBDMO O=[N+]([O-])c1cccc(C[N@@H+](C2CC2)C2(CO)CCC2)c1Br ZINC000852159561 731550160 /nfs/dbraw/zinc/55/01/60/731550160.db2.gz NVKCAENJBKHKFX-UHFFFAOYSA-N 1 1 355.232 3.237 20 5 FGBDMO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC(C)(C)NC(=O)OC(C)(C)C ZINC000852304386 731567261 /nfs/dbraw/zinc/56/72/61/731567261.db2.gz FILPNXPGHWOEQF-UHFFFAOYSA-N 1 1 355.410 3.469 20 5 FGBDMO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC(C)(C)NC(=O)OC(C)(C)C ZINC000852304386 731567262 /nfs/dbraw/zinc/56/72/62/731567262.db2.gz FILPNXPGHWOEQF-UHFFFAOYSA-N 1 1 355.410 3.469 20 5 FGBDMO C[C@H](CO)[C@H]1CCCC[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000852425358 731582474 /nfs/dbraw/zinc/58/24/74/731582474.db2.gz KBWJQBQJQBOONI-BXUZGUMPSA-N 1 1 357.248 3.340 20 5 FGBDMO C[C@H](CO)[C@H]1CCCC[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000852425358 731582476 /nfs/dbraw/zinc/58/24/76/731582476.db2.gz KBWJQBQJQBOONI-BXUZGUMPSA-N 1 1 357.248 3.340 20 5 FGBDMO CCS[C@H]1CC[C@@H]([N@@H+](C)Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853500649 731713931 /nfs/dbraw/zinc/71/39/31/731713931.db2.gz UPLNAMVNKOJBFF-KGLIPLIRSA-N 1 1 361.471 3.417 20 5 FGBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC([N@H+]2CCCOCC2)CC1 ZINC000853689065 731742310 /nfs/dbraw/zinc/74/23/10/731742310.db2.gz XVOVXBXSVBHNKZ-UHFFFAOYSA-N 1 1 353.850 3.248 20 5 FGBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC[N@H+](C2CCC2)C1 ZINC000854603257 731844799 /nfs/dbraw/zinc/84/47/99/731844799.db2.gz RKECLSHNGAPIKJ-GFCCVEGCSA-N 1 1 351.834 3.195 20 5 FGBDMO CC[N@@H+]1CCc2nc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)sc2C1 ZINC000862506781 732842386 /nfs/dbraw/zinc/84/23/86/732842386.db2.gz JLAVBIJVIZVZKT-UHFFFAOYSA-N 1 1 366.830 3.335 20 5 FGBDMO CC[N@H+]1CCc2nc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)sc2C1 ZINC000862506781 732842389 /nfs/dbraw/zinc/84/23/89/732842389.db2.gz JLAVBIJVIZVZKT-UHFFFAOYSA-N 1 1 366.830 3.335 20 5 FGBDMO Cc1cc(C2([NH2+]Cc3ccc([N+](=O)[O-])c(Cl)c3)CCOCC2)on1 ZINC000862542444 732848087 /nfs/dbraw/zinc/84/80/87/732848087.db2.gz PGVUHKOXQOLSGD-UHFFFAOYSA-N 1 1 351.790 3.340 20 5 FGBDMO C[C@@H](CNc1cc(F)c([N+](=O)[O-])cc1CO)[N@H+]1CCc2sccc2C1 ZINC000865437006 733200917 /nfs/dbraw/zinc/20/09/17/733200917.db2.gz WJZYEONEVNLWTD-NSHDSACASA-N 1 1 365.430 3.146 20 5 FGBDMO CC(C)(O)[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000879964544 737091738 /nfs/dbraw/zinc/09/17/38/737091738.db2.gz IVMBLJAHEYQDKQ-GFCCVEGCSA-N 1 1 357.248 3.340 20 5 FGBDMO CC(C)(O)[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000879964544 737091741 /nfs/dbraw/zinc/09/17/41/737091741.db2.gz IVMBLJAHEYQDKQ-GFCCVEGCSA-N 1 1 357.248 3.340 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CC[C@@H](c3nccs3)C2)o1 ZINC000880322251 737155478 /nfs/dbraw/zinc/15/54/78/737155478.db2.gz FGXVVJCAFVCGPT-LLVKDONJSA-N 1 1 357.395 3.091 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CC[C@@H](c3nccs3)C2)o1 ZINC000880322251 737155481 /nfs/dbraw/zinc/15/54/81/737155481.db2.gz FGXVVJCAFVCGPT-LLVKDONJSA-N 1 1 357.395 3.091 20 5 FGBDMO O=[N+]([O-])c1ncccc1C[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000886190400 739227703 /nfs/dbraw/zinc/22/77/03/739227703.db2.gz PBEQIFGYDPSIQX-ZDUSSCGKSA-N 1 1 364.199 3.366 20 5 FGBDMO C[C@H]1C[C@@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC[N@H+]1C ZINC000887636529 739405708 /nfs/dbraw/zinc/40/57/08/739405708.db2.gz YTNVGFGLOWOGIV-AAEUAGOBSA-N 1 1 360.439 3.387 20 5 FGBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)C1 ZINC000888287384 739496889 /nfs/dbraw/zinc/49/68/89/739496889.db2.gz ZNEUCILXSMMYLJ-LBPRGKRZSA-N 1 1 354.838 3.362 20 5 FGBDMO Cc1[nH+]ccn1CCNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000895116635 742377829 /nfs/dbraw/zinc/37/78/29/742377829.db2.gz ZOOWYYJEVDZIMA-UHFFFAOYSA-N 1 1 365.262 3.261 20 5 FGBDMO CC[N@H+]1CCC[C@H]1CNc1nnc(CSc2ccccc2[N+](=O)[O-])o1 ZINC000901406836 743272105 /nfs/dbraw/zinc/27/21/05/743272105.db2.gz GPARAGOJNWJKJS-LBPRGKRZSA-N 1 1 363.443 3.166 20 5 FGBDMO C[C@H]1C[C@@H](N(C)C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C ZINC000906794645 744160413 /nfs/dbraw/zinc/16/04/13/744160413.db2.gz VLGUHMCFPJGGFV-JSGCOSHPSA-N 1 1 353.850 3.122 20 5 FGBDMO CN(C(=O)CCc1ccc([N+](=O)[O-])cc1Cl)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000908158010 744264852 /nfs/dbraw/zinc/26/48/52/744264852.db2.gz ZDPXHZAHBSCMFB-MZBDJJRSSA-N 1 1 365.861 3.264 20 5 FGBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000923270502 759093167 /nfs/dbraw/zinc/09/31/67/759093167.db2.gz ALQBCDBXFSNUCE-QWHCGFSZSA-N 1 1 369.874 3.035 20 5 FGBDMO C[C@@H]1C[C@@H](N(C)Cc2cc([N+](=O)[O-])ccc2Br)CC[N@H+]1C ZINC000929779495 760455591 /nfs/dbraw/zinc/45/55/91/760455591.db2.gz AFVINPTYXRSSBA-YPMHNXCESA-N 1 1 356.264 3.272 20 5 FGBDMO Cc1c(NC(=O)N2CCC[N@H+](C)CC2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC000933342812 761367069 /nfs/dbraw/zinc/36/70/69/761367069.db2.gz GANCMZOLRRZKKO-UHFFFAOYSA-N 1 1 360.336 3.091 20 5 FGBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000106319854 222386689 /nfs/dbraw/zinc/38/66/89/222386689.db2.gz OPCOKEBJXWTTRK-UHFFFAOYSA-N 1 1 371.437 3.130 20 5 FGBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533807401 503956662 /nfs/dbraw/zinc/95/66/62/503956662.db2.gz NPUSANVCUIJMDK-XHSDSOJGSA-N 1 1 374.485 3.029 20 5 FGBDMO COc1ccc(-c2ccc(C[NH2+][C@@H]3CCc4[nH]cnc4C3)o2)c([N+](=O)[O-])c1 ZINC000570763688 505574894 /nfs/dbraw/zinc/57/48/94/505574894.db2.gz HBCUIOQGDNZQBO-GFCCVEGCSA-N 1 1 368.393 3.234 20 5 FGBDMO O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000579912680 505644204 /nfs/dbraw/zinc/64/42/04/505644204.db2.gz LRFQRFHCBGNIOP-GOSISDBHSA-N 1 1 360.458 3.191 20 5 FGBDMO C[C@H](CNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000057719890 493790217 /nfs/dbraw/zinc/79/02/17/493790217.db2.gz OXCVRPPSLMNATG-HUUCEWRRSA-N 1 1 374.485 3.044 20 5 FGBDMO Cc1cc(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000081122646 493836433 /nfs/dbraw/zinc/83/64/33/493836433.db2.gz OGTMJDHKNXSVKT-SFHVURJKSA-N 1 1 353.422 3.250 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000029622163 493847479 /nfs/dbraw/zinc/84/74/79/493847479.db2.gz CRTACNBJEFWKRZ-CYBMUJFWSA-N 1 1 367.812 3.370 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(SC)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000076486713 493903444 /nfs/dbraw/zinc/90/34/44/493903444.db2.gz PTNJOOCOKFEZBH-IUODEOHRSA-N 1 1 351.472 3.119 20 5 FGBDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000076949963 493994075 /nfs/dbraw/zinc/99/40/75/493994075.db2.gz TWKGONQXBGYJJA-MRXNPFEDSA-N 1 1 368.437 3.011 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000076949963 493994079 /nfs/dbraw/zinc/99/40/79/493994079.db2.gz TWKGONQXBGYJJA-MRXNPFEDSA-N 1 1 368.437 3.011 20 5 FGBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccc2c(c1)OCCO2 ZINC000083128314 493998849 /nfs/dbraw/zinc/99/88/49/493998849.db2.gz ZCRYWVPJIKQQHC-UHFFFAOYSA-N 1 1 355.350 3.139 20 5 FGBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccc2c(c1)OCCO2 ZINC000083128314 493998851 /nfs/dbraw/zinc/99/88/51/493998851.db2.gz ZCRYWVPJIKQQHC-UHFFFAOYSA-N 1 1 355.350 3.139 20 5 FGBDMO COc1ccc(C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000007661896 494033562 /nfs/dbraw/zinc/03/35/62/494033562.db2.gz MRIAYYVRIYPMGM-UHFFFAOYSA-N 1 1 355.394 3.207 20 5 FGBDMO COc1ccc(C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000007661896 494033565 /nfs/dbraw/zinc/03/35/65/494033565.db2.gz MRIAYYVRIYPMGM-UHFFFAOYSA-N 1 1 355.394 3.207 20 5 FGBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000052561171 494040666 /nfs/dbraw/zinc/04/06/66/494040666.db2.gz SOLRVDUQESLSQR-UHFFFAOYSA-N 1 1 353.422 3.162 20 5 FGBDMO COc1ccc(NC(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000574117081 505696757 /nfs/dbraw/zinc/69/67/57/505696757.db2.gz JCVMDXJPSSGDLS-CQSZACIVSA-N 1 1 372.425 3.245 20 5 FGBDMO O=C(NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1)c1ccccc1F ZINC000052725286 494057272 /nfs/dbraw/zinc/05/72/72/494057272.db2.gz OJCUUSSXBMPQEL-UHFFFAOYSA-N 1 1 357.385 3.128 20 5 FGBDMO CCN(C(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000070892754 494066310 /nfs/dbraw/zinc/06/63/10/494066310.db2.gz PBQSOBOVWOYMKS-GOEBONIOSA-N 1 1 357.410 3.485 20 5 FGBDMO CCc1nc(C[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cs1 ZINC000063603909 494069069 /nfs/dbraw/zinc/06/90/69/494069069.db2.gz COKDLLMIKNTBMV-UHFFFAOYSA-N 1 1 362.455 3.383 20 5 FGBDMO CCc1nc(C[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cs1 ZINC000063603909 494069072 /nfs/dbraw/zinc/06/90/72/494069072.db2.gz COKDLLMIKNTBMV-UHFFFAOYSA-N 1 1 362.455 3.383 20 5 FGBDMO Cc1ccc2nc(C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C(C)C)cc(=O)n2c1 ZINC000064350403 494116448 /nfs/dbraw/zinc/11/64/48/494116448.db2.gz KESPPFUGCLLLFW-UHFFFAOYSA-N 1 1 366.421 3.322 20 5 FGBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000053405240 494126740 /nfs/dbraw/zinc/12/67/40/494126740.db2.gz ZABGWWUUPZWETG-CYBMUJFWSA-N 1 1 358.442 3.316 20 5 FGBDMO CSc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000010085420 494142582 /nfs/dbraw/zinc/14/25/82/494142582.db2.gz DJBTXZGLKCSZHS-MRXNPFEDSA-N 1 1 371.462 3.321 20 5 FGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000064735382 494144993 /nfs/dbraw/zinc/14/49/93/494144993.db2.gz BHFSFKIJGPSLAX-IXDOHACOSA-N 1 1 374.485 3.261 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000087123507 494174910 /nfs/dbraw/zinc/17/49/10/494174910.db2.gz GCCBEYCVWSMTEG-CALCHBBNSA-N 1 1 361.486 3.402 20 5 FGBDMO O=C(c1ccccc1[N+](=O)[O-])N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000054122110 494197609 /nfs/dbraw/zinc/19/76/09/494197609.db2.gz KHEFKMMYOWQXTC-UHFFFAOYSA-N 1 1 357.385 3.082 20 5 FGBDMO O=C(c1ccccc1[N+](=O)[O-])N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000054122110 494197610 /nfs/dbraw/zinc/19/76/10/494197610.db2.gz KHEFKMMYOWQXTC-UHFFFAOYSA-N 1 1 357.385 3.082 20 5 FGBDMO O=[N+]([O-])c1cc2c(nc1N1CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C1)CCCC2 ZINC000574153571 505707224 /nfs/dbraw/zinc/70/72/24/505707224.db2.gz ZBACOJTXVSFCKS-CRAIPNDOSA-N 1 1 356.470 3.322 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@H](Nc3ncc(C)cc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000088751342 494257890 /nfs/dbraw/zinc/25/78/90/494257890.db2.gz NVNNGEMKEBBUPC-HNNXBMFYSA-N 1 1 372.425 3.002 20 5 FGBDMO Cc1c(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000043347970 494289808 /nfs/dbraw/zinc/28/98/08/494289808.db2.gz AAJNSQYDTMBYDB-INIZCTEOSA-N 1 1 354.410 3.299 20 5 FGBDMO Cc1cccc(OCC[N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1 ZINC000016421150 494388512 /nfs/dbraw/zinc/38/85/12/494388512.db2.gz GPUNZRXKEIOUKK-UHFFFAOYSA-N 1 1 358.394 3.281 20 5 FGBDMO Cc1cccc(OCC[N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1 ZINC000016421150 494388516 /nfs/dbraw/zinc/38/85/16/494388516.db2.gz GPUNZRXKEIOUKK-UHFFFAOYSA-N 1 1 358.394 3.281 20 5 FGBDMO COC(=O)[C@H](C)C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000089892542 494394715 /nfs/dbraw/zinc/39/47/15/494394715.db2.gz CMLZGQUUMXOWEA-GFCCVEGCSA-N 1 1 359.382 3.023 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)ccc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC000016637451 494397706 /nfs/dbraw/zinc/39/77/06/494397706.db2.gz LKWWFLAPYQJOQL-UHFFFAOYSA-N 1 1 361.829 3.449 20 5 FGBDMO CC[N@@H+]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])c(C)s3)sc2C1 ZINC000045143827 494401292 /nfs/dbraw/zinc/40/12/92/494401292.db2.gz MFOXSKDRGNZIPR-UHFFFAOYSA-N 1 1 352.441 3.052 20 5 FGBDMO CC[N@H+]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])c(C)s3)sc2C1 ZINC000045143827 494401296 /nfs/dbraw/zinc/40/12/96/494401296.db2.gz MFOXSKDRGNZIPR-UHFFFAOYSA-N 1 1 352.441 3.052 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)Cc2cccc(N(C)C)c2)cccc1[N+](=O)[O-] ZINC000089922661 494402049 /nfs/dbraw/zinc/40/20/49/494402049.db2.gz PPRNDYPYXSTOHA-OAHLLOKOSA-N 1 1 370.453 3.428 20 5 FGBDMO O=C(C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000055908852 494426624 /nfs/dbraw/zinc/42/66/24/494426624.db2.gz CGHHQXLNBDDLLP-MRXNPFEDSA-N 1 1 357.385 3.380 20 5 FGBDMO O=C(C[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000055908852 494426630 /nfs/dbraw/zinc/42/66/30/494426630.db2.gz CGHHQXLNBDDLLP-MRXNPFEDSA-N 1 1 357.385 3.380 20 5 FGBDMO C[C@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000079556645 494480182 /nfs/dbraw/zinc/48/01/82/494480182.db2.gz CNOLDLPMMXXUPE-YJBOKZPZSA-N 1 1 353.422 3.378 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC[C@@H]1CCc1ccccc1 ZINC000090592282 494485581 /nfs/dbraw/zinc/48/55/81/494485581.db2.gz CFBNCGZNZVHQSK-GOSISDBHSA-N 1 1 355.438 3.244 20 5 FGBDMO COc1ccc(C[C@H](C)C[N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000090618627 494488657 /nfs/dbraw/zinc/48/86/57/494488657.db2.gz OPJTXPKHVKMJQT-AWEZNQCLSA-N 1 1 371.437 3.013 20 5 FGBDMO Cc1cc(N2CCC[N@@H+](CCCc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000074746113 494590900 /nfs/dbraw/zinc/59/09/00/494590900.db2.gz KCUNDWTVOPFCJY-UHFFFAOYSA-N 1 1 354.454 3.443 20 5 FGBDMO Cc1nc(C[NH+]2CCC(CNc3cc(C)c([N+](=O)[O-])cn3)CC2)oc1C ZINC000074750692 494591046 /nfs/dbraw/zinc/59/10/46/494591046.db2.gz ZJGDYDATVCFSGQ-UHFFFAOYSA-N 1 1 359.430 3.227 20 5 FGBDMO CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000080501692 494721292 /nfs/dbraw/zinc/72/12/92/494721292.db2.gz UZIKQMXIILDKPB-LJQANCHMSA-N 1 1 367.449 3.260 20 5 FGBDMO COCc1cc([N+](=O)[O-])ccc1N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000080640679 494751405 /nfs/dbraw/zinc/75/14/05/494751405.db2.gz DBGLFUABWURNQD-OAHLLOKOSA-N 1 1 356.426 3.019 20 5 FGBDMO C[C@H]1C[C@@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000131870186 494759282 /nfs/dbraw/zinc/75/92/82/494759282.db2.gz FJAMZESQBCKOOX-HOCLYGCPSA-N 1 1 371.412 3.374 20 5 FGBDMO Cc1cccc(C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000121561290 494803354 /nfs/dbraw/zinc/80/33/54/494803354.db2.gz YPTUONDDWNMOMV-ZDUSSCGKSA-N 1 1 359.451 3.141 20 5 FGBDMO Cc1cccc(C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000121561290 494803360 /nfs/dbraw/zinc/80/33/60/494803360.db2.gz YPTUONDDWNMOMV-ZDUSSCGKSA-N 1 1 359.451 3.141 20 5 FGBDMO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000026167274 494805344 /nfs/dbraw/zinc/80/53/44/494805344.db2.gz DSGCHEZCUDBBGH-AWEZNQCLSA-N 1 1 357.410 3.371 20 5 FGBDMO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000026167274 494805348 /nfs/dbraw/zinc/80/53/48/494805348.db2.gz DSGCHEZCUDBBGH-AWEZNQCLSA-N 1 1 357.410 3.371 20 5 FGBDMO COc1ccc(C[N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000026225060 494810525 /nfs/dbraw/zinc/81/05/25/494810525.db2.gz SIPIHKBYWYBGJK-UHFFFAOYSA-N 1 1 373.409 3.073 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@@H+](C)[C@H](C)CCSC)c([N+](=O)[O-])c1 ZINC000126655670 494812285 /nfs/dbraw/zinc/81/22/85/494812285.db2.gz ARJIOJGYMFAGOS-GFCCVEGCSA-N 1 1 355.460 3.005 20 5 FGBDMO COCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCCC1 ZINC000026447292 494826292 /nfs/dbraw/zinc/82/62/92/494826292.db2.gz NNEVWFKXADDPLC-UHFFFAOYSA-N 1 1 355.822 3.078 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1cccnc1)C(C)C ZINC000093225439 494846834 /nfs/dbraw/zinc/84/68/34/494846834.db2.gz KNVSZDMYTAJACR-UHFFFAOYSA-N 1 1 372.425 3.238 20 5 FGBDMO COc1ccc(C[N@@H+](C)CC[C@H](C)O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000093481913 494895857 /nfs/dbraw/zinc/89/58/57/494895857.db2.gz CBVBBQZAMKAGEP-HNNXBMFYSA-N 1 1 374.437 3.385 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)o1 ZINC000093664526 494909845 /nfs/dbraw/zinc/90/98/45/494909845.db2.gz UMNLYOZUPGBIIO-INIZCTEOSA-N 1 1 371.437 3.009 20 5 FGBDMO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)C1CC1 ZINC000132779613 494923117 /nfs/dbraw/zinc/92/31/17/494923117.db2.gz UNEBMZWUKZFNEC-OXQOHEQNSA-N 1 1 373.497 3.006 20 5 FGBDMO C[C@@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000110205179 494957483 /nfs/dbraw/zinc/95/74/83/494957483.db2.gz QUUCUHTWNWIYBO-ZDUSSCGKSA-N 1 1 373.840 3.425 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccc(F)c4cccnc34)C2)nc1 ZINC000118865962 495050141 /nfs/dbraw/zinc/05/01/41/495050141.db2.gz IRRHEPXGPYXZDU-CQSZACIVSA-N 1 1 367.384 3.364 20 5 FGBDMO CC(C)c1ccc(CN2CCC(C[NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000134105380 495106896 /nfs/dbraw/zinc/10/68/96/495106896.db2.gz ZGJDPNCWNMMQTO-UHFFFAOYSA-N 1 1 361.486 3.262 20 5 FGBDMO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1c(Cl)cccc1[N+](=O)[O-])CC2 ZINC000119221400 495120569 /nfs/dbraw/zinc/12/05/69/495120569.db2.gz MMXXOWRENRLNOB-CVEARBPZSA-N 1 1 354.834 3.000 20 5 FGBDMO CCCO[C@H]1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000128591785 495120994 /nfs/dbraw/zinc/12/09/94/495120994.db2.gz AGUNVCMRXQUXJI-HNNXBMFYSA-N 1 1 367.421 3.344 20 5 FGBDMO CCS[C@H]1CCCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000112088523 495142506 /nfs/dbraw/zinc/14/25/06/495142506.db2.gz XMMYYFSBMRJFET-AWEZNQCLSA-N 1 1 367.471 3.150 20 5 FGBDMO CCS[C@H]1CCCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000112088523 495142508 /nfs/dbraw/zinc/14/25/08/495142508.db2.gz XMMYYFSBMRJFET-AWEZNQCLSA-N 1 1 367.471 3.150 20 5 FGBDMO CC[N@H+](CC(=O)NCc1ccc(F)cc1)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000102671437 495152374 /nfs/dbraw/zinc/15/23/74/495152374.db2.gz XNXJJAUCEBHXEU-AWEZNQCLSA-N 1 1 359.401 3.433 20 5 FGBDMO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000102671437 495152377 /nfs/dbraw/zinc/15/23/77/495152377.db2.gz XNXJJAUCEBHXEU-AWEZNQCLSA-N 1 1 359.401 3.433 20 5 FGBDMO C[C@@H]1C[C@H]([N@@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCN1C ZINC000123922121 495207715 /nfs/dbraw/zinc/20/77/15/495207715.db2.gz SALLDUSPIHDWCV-GDBMZVCRSA-N 1 1 358.442 3.207 20 5 FGBDMO C[C@@H]1C[C@H](N(C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[N@@H+]1C ZINC000123922121 495207718 /nfs/dbraw/zinc/20/77/18/495207718.db2.gz SALLDUSPIHDWCV-GDBMZVCRSA-N 1 1 358.442 3.207 20 5 FGBDMO C[C@@H]1C[C@H](N(C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[N@H+]1C ZINC000123922121 495207723 /nfs/dbraw/zinc/20/77/23/495207723.db2.gz SALLDUSPIHDWCV-GDBMZVCRSA-N 1 1 358.442 3.207 20 5 FGBDMO C[N@@H+](CCC(N)=O)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000577642363 505768751 /nfs/dbraw/zinc/76/87/51/505768751.db2.gz BZPKIJLWMYTGMG-UHFFFAOYSA-N 1 1 363.801 3.348 20 5 FGBDMO Cc1c(CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000119815062 495247173 /nfs/dbraw/zinc/24/71/73/495247173.db2.gz QLMHFGPDPKJFHT-HNAYVOBHSA-N 1 1 367.449 3.082 20 5 FGBDMO Cc1noc([C@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)C2)n1 ZINC000104675851 495296109 /nfs/dbraw/zinc/29/61/09/495296109.db2.gz IOTQPQKYNCGRKU-AWEZNQCLSA-N 1 1 360.414 3.453 20 5 FGBDMO Cc1noc([C@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)C2)n1 ZINC000104675851 495296111 /nfs/dbraw/zinc/29/61/11/495296111.db2.gz IOTQPQKYNCGRKU-AWEZNQCLSA-N 1 1 360.414 3.453 20 5 FGBDMO Cc1[nH+]ccn1CCCN(C)c1ccc(Br)cc1[N+](=O)[O-] ZINC000120197312 495325790 /nfs/dbraw/zinc/32/57/90/495325790.db2.gz SNIIXCOZIJXVDV-UHFFFAOYSA-N 1 1 353.220 3.389 20 5 FGBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000113900344 495334400 /nfs/dbraw/zinc/33/44/00/495334400.db2.gz JHXPHIJAKDFKSJ-IRXDYDNUSA-N 1 1 374.485 3.120 20 5 FGBDMO C[C@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)N1CCN(C)CC1 ZINC000105465803 495365736 /nfs/dbraw/zinc/36/57/36/495365736.db2.gz HAFNAWGAFHHTSX-OAHLLOKOSA-N 1 1 374.510 3.049 20 5 FGBDMO COc1ccc(C[N@@H+](CCO)[C@@H]2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000114468349 495379646 /nfs/dbraw/zinc/37/96/46/495379646.db2.gz HTUTUFHIDKWDLG-GOSISDBHSA-N 1 1 356.422 3.475 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000114469661 495380392 /nfs/dbraw/zinc/38/03/92/495380392.db2.gz KNSAVZIZYPDFMF-IBGZPJMESA-N 1 1 356.422 3.475 20 5 FGBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000120471911 495386994 /nfs/dbraw/zinc/38/69/94/495386994.db2.gz DGIOINRCYMCOOZ-WBMJQRKESA-N 1 1 374.466 3.131 20 5 FGBDMO COc1ccc([C@@H](C)[N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000105728555 495389859 /nfs/dbraw/zinc/38/98/59/495389859.db2.gz VKKDOOFJGAKADD-CQSZACIVSA-N 1 1 357.410 3.259 20 5 FGBDMO COc1ccc([C@@H](C)[N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000105728555 495389863 /nfs/dbraw/zinc/38/98/63/495389863.db2.gz VKKDOOFJGAKADD-CQSZACIVSA-N 1 1 357.410 3.259 20 5 FGBDMO C[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000125452792 495446798 /nfs/dbraw/zinc/44/67/98/495446798.db2.gz GMWUDCZFQMXPHT-GFCCVEGCSA-N 1 1 351.834 3.337 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+](C)[C@H](C)C[S@](C)=O)o2)c([N+](=O)[O-])c1 ZINC000130861548 495457444 /nfs/dbraw/zinc/45/74/44/495457444.db2.gz UZJOOIAEWXGEBT-XELLLNAOSA-N 1 1 366.439 3.062 20 5 FGBDMO COc1ccc(-c2ccc(C[N@@H+](C)[C@H](C)C[S@](C)=O)o2)c([N+](=O)[O-])c1 ZINC000130861548 495457445 /nfs/dbraw/zinc/45/74/45/495457445.db2.gz UZJOOIAEWXGEBT-XELLLNAOSA-N 1 1 366.439 3.062 20 5 FGBDMO CCO[C@H]1C[C@H]([N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C12CCC2 ZINC000121048627 495511844 /nfs/dbraw/zinc/51/18/44/495511844.db2.gz JLKSKUOMLLCJRF-HOTGVXAUSA-N 1 1 372.425 3.424 20 5 FGBDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C12CCC2 ZINC000121048627 495511850 /nfs/dbraw/zinc/51/18/50/495511850.db2.gz JLKSKUOMLLCJRF-HOTGVXAUSA-N 1 1 372.425 3.424 20 5 FGBDMO COc1ccc(NC(=O)C[N@@H+]2C[C@H](c3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000115552083 495515632 /nfs/dbraw/zinc/51/56/32/495515632.db2.gz OARYTBKLKCCMQN-GDBMZVCRSA-N 1 1 369.421 3.420 20 5 FGBDMO COc1ccc(NC(=O)C[N@H+]2C[C@H](c3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000115552083 495515635 /nfs/dbraw/zinc/51/56/35/495515635.db2.gz OARYTBKLKCCMQN-GDBMZVCRSA-N 1 1 369.421 3.420 20 5 FGBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000173608060 495612448 /nfs/dbraw/zinc/61/24/48/495612448.db2.gz GUOKTBSHBCJPJC-OAHLLOKOSA-N 1 1 371.437 3.244 20 5 FGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000179518074 495625373 /nfs/dbraw/zinc/62/53/73/495625373.db2.gz VRGWLJWGTHFZFU-OAHLLOKOSA-N 1 1 371.441 3.239 20 5 FGBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cc1 ZINC000179518074 495625381 /nfs/dbraw/zinc/62/53/81/495625381.db2.gz VRGWLJWGTHFZFU-OAHLLOKOSA-N 1 1 371.441 3.239 20 5 FGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cc1 ZINC000179518074 495625388 /nfs/dbraw/zinc/62/53/88/495625388.db2.gz VRGWLJWGTHFZFU-OAHLLOKOSA-N 1 1 371.441 3.239 20 5 FGBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000173656239 495637243 /nfs/dbraw/zinc/63/72/43/495637243.db2.gz SXEJOGAEDAPLJD-JTQLQIEISA-N 1 1 370.331 3.185 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@H+](C)CCOCc2ccccc2)cccc1[N+](=O)[O-] ZINC000154625570 495676224 /nfs/dbraw/zinc/67/62/24/495676224.db2.gz BJCMTQKKCAOLLV-MRXNPFEDSA-N 1 1 371.437 3.379 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)CCOCc2ccccc2)cccc1[N+](=O)[O-] ZINC000154625570 495676227 /nfs/dbraw/zinc/67/62/27/495676227.db2.gz BJCMTQKKCAOLLV-MRXNPFEDSA-N 1 1 371.437 3.379 20 5 FGBDMO CCOc1ccccc1[C@H](CC)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000179733364 495710231 /nfs/dbraw/zinc/71/02/31/495710231.db2.gz KPKLSLGXGLCVIV-INIZCTEOSA-N 1 1 357.410 3.333 20 5 FGBDMO CC[C@](C)([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1nc(C)cs1 ZINC000173940195 495755041 /nfs/dbraw/zinc/75/50/41/495755041.db2.gz ISNMYQKIYGSESA-SFHVURJKSA-N 1 1 374.466 3.164 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000176725214 495763512 /nfs/dbraw/zinc/76/35/12/495763512.db2.gz URYSWAVSUOQPNZ-DOTOQJQBSA-N 1 1 362.474 3.480 20 5 FGBDMO COC(=O)[C@H](CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000574567635 505804322 /nfs/dbraw/zinc/80/43/22/505804322.db2.gz LTKYHTSPGHPCPL-GOSISDBHSA-N 1 1 354.406 3.300 20 5 FGBDMO COC(=O)[C@H](CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000574567635 505804323 /nfs/dbraw/zinc/80/43/23/505804323.db2.gz LTKYHTSPGHPCPL-GOSISDBHSA-N 1 1 354.406 3.300 20 5 FGBDMO O=C(CC[N@H+]1CCC[C@@H](Nc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000155011028 495802813 /nfs/dbraw/zinc/80/28/13/495802813.db2.gz OLANTHHTEQFRPG-QGZVFWFLSA-N 1 1 368.437 3.500 20 5 FGBDMO CC(C)Oc1nc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000577866119 505808563 /nfs/dbraw/zinc/80/85/63/505808563.db2.gz YPHKOVJLKUYRHJ-GDBMZVCRSA-N 1 1 360.458 3.230 20 5 FGBDMO Cc1c(CC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000180198473 495902510 /nfs/dbraw/zinc/90/25/10/495902510.db2.gz XOIPCZFMJDQNAP-YLJYHZDGSA-N 1 1 353.422 3.007 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCOCC4(CCOCC4)C3)o2)cc1 ZINC000183272631 495910850 /nfs/dbraw/zinc/91/08/50/495910850.db2.gz BCTXCIQCYJDFPW-UHFFFAOYSA-N 1 1 372.421 3.484 20 5 FGBDMO CCOC[C@H]1CC[N@@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000180241397 495921853 /nfs/dbraw/zinc/92/18/53/495921853.db2.gz IOADQHNAAPGKAW-LBPRGKRZSA-N 1 1 374.384 3.106 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000183309875 495925610 /nfs/dbraw/zinc/92/56/10/495925610.db2.gz RVLUTFMYIUTFHI-KRWDZBQOSA-N 1 1 372.400 3.438 20 5 FGBDMO COc1cc(C[N@H+]2CCCN3c4ccccc4C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000577904436 505815730 /nfs/dbraw/zinc/81/57/30/505815730.db2.gz GEWSBVZPWOIVNZ-KRWDZBQOSA-N 1 1 353.422 3.240 20 5 FGBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000160885560 496061103 /nfs/dbraw/zinc/06/11/03/496061103.db2.gz WKUCQLAFZXCQRP-ZBFHGGJFSA-N 1 1 368.437 3.029 20 5 FGBDMO C[NH+](C)[C@@H](CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000160905390 496064923 /nfs/dbraw/zinc/06/49/23/496064923.db2.gz RTMIQXIEYGUVAK-KRWDZBQOSA-N 1 1 374.441 3.113 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000177531174 496100245 /nfs/dbraw/zinc/10/02/45/496100245.db2.gz GHENQSIRDPZVEM-PBHICJAKSA-N 1 1 369.421 3.420 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000177531174 496100253 /nfs/dbraw/zinc/10/02/53/496100253.db2.gz GHENQSIRDPZVEM-PBHICJAKSA-N 1 1 369.421 3.420 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000177531141 496100300 /nfs/dbraw/zinc/10/03/00/496100300.db2.gz GHENQSIRDPZVEM-RHSMWYFYSA-N 1 1 369.421 3.420 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000177531141 496100305 /nfs/dbraw/zinc/10/03/05/496100305.db2.gz GHENQSIRDPZVEM-RHSMWYFYSA-N 1 1 369.421 3.420 20 5 FGBDMO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1cc(Cl)ccc1[N+](=O)[O-])CC2 ZINC000174873050 496142425 /nfs/dbraw/zinc/14/24/25/496142425.db2.gz UVNYAZZPKYHJQF-CVEARBPZSA-N 1 1 354.834 3.000 20 5 FGBDMO Cc1cccc(C[N@H+](CCn2ccc([N+](=O)[O-])n2)Cc2ccccn2)c1 ZINC000177647260 496144654 /nfs/dbraw/zinc/14/46/54/496144654.db2.gz DQOKUXCKLWSAGQ-UHFFFAOYSA-N 1 1 351.410 3.197 20 5 FGBDMO Cc1cccc(C[N@@H+](CCn2ccc([N+](=O)[O-])n2)Cc2ccccn2)c1 ZINC000177647260 496144656 /nfs/dbraw/zinc/14/46/56/496144656.db2.gz DQOKUXCKLWSAGQ-UHFFFAOYSA-N 1 1 351.410 3.197 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(N3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)n2)cc1 ZINC000161931929 496265404 /nfs/dbraw/zinc/26/54/04/496265404.db2.gz KCQUWDICPPTTBZ-RHSMWYFYSA-N 1 1 369.425 3.098 20 5 FGBDMO Cc1ccc(NCCCNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)[nH+]c1 ZINC000172400990 496282812 /nfs/dbraw/zinc/28/28/12/496282812.db2.gz BBOZRFSPSFTVNX-CQSZACIVSA-N 1 1 374.466 3.397 20 5 FGBDMO C[C@@H](CCNC(=O)NCc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccccc1 ZINC000175349316 496350094 /nfs/dbraw/zinc/35/00/94/496350094.db2.gz GSNVTBUANNDBHJ-INIZCTEOSA-N 1 1 370.453 3.305 20 5 FGBDMO O=C(CC[N@H+]1CCC[C@H](c2nccs2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000157018392 496387722 /nfs/dbraw/zinc/38/77/22/496387722.db2.gz DBDDYPDUWGIXJD-ZDUSSCGKSA-N 1 1 360.439 3.260 20 5 FGBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)CCc1ccncc1 ZINC000181485823 496415764 /nfs/dbraw/zinc/41/57/64/496415764.db2.gz CDTCMZSCVRAQSD-LBPRGKRZSA-N 1 1 362.817 3.145 20 5 FGBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)CCc1ccncc1 ZINC000181485823 496415768 /nfs/dbraw/zinc/41/57/68/496415768.db2.gz CDTCMZSCVRAQSD-LBPRGKRZSA-N 1 1 362.817 3.145 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccco1)C1CCCC1 ZINC000181561633 496446844 /nfs/dbraw/zinc/44/68/44/496446844.db2.gz ONEGDDLKYAXCAX-INIZCTEOSA-N 1 1 360.410 3.372 20 5 FGBDMO COc1ccccc1[C@@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181722115 496518177 /nfs/dbraw/zinc/51/81/77/496518177.db2.gz YFBUXZPDGXAEKH-RDJZCZTQSA-N 1 1 372.421 3.180 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(C2CCOCC2)CC1 ZINC000153703027 496550917 /nfs/dbraw/zinc/55/09/17/496550917.db2.gz KWLOTMXKLKVSRW-CQSZACIVSA-N 1 1 361.442 3.060 20 5 FGBDMO O=C(CC[N@@H+]1CCO[C@H](c2cccs2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000158049346 496616080 /nfs/dbraw/zinc/61/60/80/496616080.db2.gz BOFKTEAVPIVBJE-HNNXBMFYSA-N 1 1 361.423 3.058 20 5 FGBDMO O=C(CC[N@H+]1CCO[C@H](c2cccs2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000158049346 496616083 /nfs/dbraw/zinc/61/60/83/496616083.db2.gz BOFKTEAVPIVBJE-HNNXBMFYSA-N 1 1 361.423 3.058 20 5 FGBDMO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000173341075 496650216 /nfs/dbraw/zinc/65/02/16/496650216.db2.gz AKWZPZGWXKMELW-MRXNPFEDSA-N 1 1 373.478 3.227 20 5 FGBDMO COc1cccc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000185140299 496677652 /nfs/dbraw/zinc/67/76/52/496677652.db2.gz CVZPRSMISVWDSI-UHFFFAOYSA-N 1 1 359.401 3.455 20 5 FGBDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C ZINC000188101851 496684021 /nfs/dbraw/zinc/68/40/21/496684021.db2.gz UBJPNOGREKANHA-DYVFJYSZSA-N 1 1 358.394 3.486 20 5 FGBDMO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000182174988 496698085 /nfs/dbraw/zinc/69/80/85/496698085.db2.gz PWBHKUHCTPUIBS-GFCCVEGCSA-N 1 1 368.842 3.373 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000179181089 496702951 /nfs/dbraw/zinc/70/29/51/496702951.db2.gz OZNZRDPKZMWGPD-DNVCBOLYSA-N 1 1 359.470 3.442 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)C1CC1 ZINC000185322117 496728981 /nfs/dbraw/zinc/72/89/81/496728981.db2.gz VUYYYVUESSBMMI-INIZCTEOSA-N 1 1 359.451 3.297 20 5 FGBDMO C[S@](=O)C[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000273263117 496756608 /nfs/dbraw/zinc/75/66/08/496756608.db2.gz ITKVEKIVEUYDFN-WNSKOXEYSA-N 1 1 352.843 3.458 20 5 FGBDMO CCC[C@]1(COC)CCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000194922490 496761435 /nfs/dbraw/zinc/76/14/35/496761435.db2.gz SFJMAFAVZKDYCC-GOSISDBHSA-N 1 1 360.414 3.426 20 5 FGBDMO CCC[C@]1(COC)CCC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000194925336 496762454 /nfs/dbraw/zinc/76/24/54/496762454.db2.gz MYPCPBALHVXKHP-GOSISDBHSA-N 1 1 360.414 3.426 20 5 FGBDMO COc1ccc(OCC[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000569175228 505868719 /nfs/dbraw/zinc/86/87/19/505868719.db2.gz FQCUOYGOISIKJX-MSOLQXFVSA-N 1 1 362.426 3.016 20 5 FGBDMO O=C(NC1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1)C1CCCCC1 ZINC000195197039 496846825 /nfs/dbraw/zinc/84/68/25/496846825.db2.gz SRLFCFCJZDBHPI-UHFFFAOYSA-N 1 1 363.433 3.395 20 5 FGBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000247426536 496857449 /nfs/dbraw/zinc/85/74/49/496857449.db2.gz KTLNFUVLGFMLMZ-CVEARBPZSA-N 1 1 374.485 3.389 20 5 FGBDMO Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3Cl)C2=O)cc1 ZINC000191797092 496893045 /nfs/dbraw/zinc/89/30/45/496893045.db2.gz WCVTXDAQKJWGEO-SFHVURJKSA-N 1 1 373.840 3.447 20 5 FGBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000269558978 496970318 /nfs/dbraw/zinc/97/03/18/496970318.db2.gz PTQNRLGSZKJYQC-LLVKDONJSA-N 1 1 359.348 3.027 20 5 FGBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000248369987 496984887 /nfs/dbraw/zinc/98/48/87/496984887.db2.gz WXEPVLRGSJIOLU-ICSRJNTNSA-N 1 1 369.421 3.040 20 5 FGBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000248369987 496984893 /nfs/dbraw/zinc/98/48/93/496984893.db2.gz WXEPVLRGSJIOLU-ICSRJNTNSA-N 1 1 369.421 3.040 20 5 FGBDMO Cc1cccc([C@@H]2CCC[N@H+]2C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000248373090 496986380 /nfs/dbraw/zinc/98/63/80/496986380.db2.gz GDIJJMZISUQULM-MSOLQXFVSA-N 1 1 356.422 3.480 20 5 FGBDMO C[N@@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000273997785 496986510 /nfs/dbraw/zinc/98/65/10/496986510.db2.gz SLVOSQBLHBWGKY-ABAIWWIYSA-N 1 1 365.796 3.282 20 5 FGBDMO C[N@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000273997785 496986511 /nfs/dbraw/zinc/98/65/11/496986511.db2.gz SLVOSQBLHBWGKY-ABAIWWIYSA-N 1 1 365.796 3.282 20 5 FGBDMO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000269676033 496986684 /nfs/dbraw/zinc/98/66/84/496986684.db2.gz LCSWQUYXRFMSDX-MLGOLLRUSA-N 1 1 363.845 3.337 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000248376129 496986880 /nfs/dbraw/zinc/98/68/80/496986880.db2.gz ZOYOZBMBYKIAHD-SJORKVTESA-N 1 1 360.385 3.311 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000248453837 497017721 /nfs/dbraw/zinc/01/77/21/497017721.db2.gz KCRQLZBAXAKWBH-IEBWSBKVSA-N 1 1 368.433 3.486 20 5 FGBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000278215213 497039842 /nfs/dbraw/zinc/03/98/42/497039842.db2.gz WMZWCXWNUPKICU-UHFFFAOYSA-N 1 1 359.357 3.121 20 5 FGBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000278255388 497052735 /nfs/dbraw/zinc/05/27/35/497052735.db2.gz WIZFWVJNMXCXKR-YJYMSZOUSA-N 1 1 361.445 3.306 20 5 FGBDMO COC1CCC([N@@H+](C)CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000265212096 497072727 /nfs/dbraw/zinc/07/27/27/497072727.db2.gz MOGFJNAWPQHLBI-UHFFFAOYSA-N 1 1 355.822 3.076 20 5 FGBDMO Cc1cc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000270214965 497078900 /nfs/dbraw/zinc/07/89/00/497078900.db2.gz MELGCONTPZOLFQ-HNNXBMFYSA-N 1 1 364.409 3.467 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000248776454 497102938 /nfs/dbraw/zinc/10/29/38/497102938.db2.gz HPNNPBBCLXFYRR-DNVCBOLYSA-N 1 1 353.422 3.154 20 5 FGBDMO CC[N@@H+]1CCC[C@H]1CNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000236842428 497155476 /nfs/dbraw/zinc/15/54/76/497155476.db2.gz JYMUQGSEYNHITL-AWEZNQCLSA-N 1 1 359.426 3.437 20 5 FGBDMO CC[N@H+]1CCC[C@H]1CNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000236842428 497155483 /nfs/dbraw/zinc/15/54/83/497155483.db2.gz JYMUQGSEYNHITL-AWEZNQCLSA-N 1 1 359.426 3.437 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@H](CC(F)(F)F)C3)o2)cc1 ZINC000278590285 497159717 /nfs/dbraw/zinc/15/97/17/497159717.db2.gz DFXWABRBFPEXEN-SNVBAGLBSA-N 1 1 356.304 3.419 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@H](CC(F)(F)F)C3)o2)cc1 ZINC000278590285 497159720 /nfs/dbraw/zinc/15/97/20/497159720.db2.gz DFXWABRBFPEXEN-SNVBAGLBSA-N 1 1 356.304 3.419 20 5 FGBDMO CSc1cccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000249150843 497175107 /nfs/dbraw/zinc/17/51/07/497175107.db2.gz WWAVZEWPHZYOSN-DOTOQJQBSA-N 1 1 371.462 3.492 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2cccc3cc[nH]c32)CC1 ZINC000271192954 497287099 /nfs/dbraw/zinc/28/70/99/497287099.db2.gz MOYUCOORFPDTAE-UHFFFAOYSA-N 1 1 364.405 3.034 20 5 FGBDMO O=C(NCc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000193200933 497322833 /nfs/dbraw/zinc/32/28/33/497322833.db2.gz FRYGUIZLSBAPBQ-GOSISDBHSA-N 1 1 368.437 3.059 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266928998 497449142 /nfs/dbraw/zinc/44/91/42/497449142.db2.gz NXPXPJBZHUFWCQ-TZMCWYRMSA-N 1 1 368.397 3.309 20 5 FGBDMO Cc1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000262024820 497493831 /nfs/dbraw/zinc/49/38/31/497493831.db2.gz RUVSZXUAFHRQBF-QGZVFWFLSA-N 1 1 359.813 3.343 20 5 FGBDMO C[N@@H+]1CC[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000245747835 497526444 /nfs/dbraw/zinc/52/64/44/497526444.db2.gz ANDIGGLQTLLDOC-VQIMIIECSA-N 1 1 373.840 3.352 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000245747835 497526446 /nfs/dbraw/zinc/52/64/46/497526446.db2.gz ANDIGGLQTLLDOC-VQIMIIECSA-N 1 1 373.840 3.352 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000267381301 497538731 /nfs/dbraw/zinc/53/87/31/497538731.db2.gz GYBVAPRDPMIZEZ-UZLBHIALSA-N 1 1 367.449 3.164 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245928535 497574836 /nfs/dbraw/zinc/57/48/36/497574836.db2.gz YAFDUYGVBUPDTR-STQMWFEESA-N 1 1 351.472 3.262 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245928529 497574981 /nfs/dbraw/zinc/57/49/81/497574981.db2.gz YAFDUYGVBUPDTR-QWHCGFSZSA-N 1 1 351.472 3.262 20 5 FGBDMO COCCN(C)c1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000276619005 497613530 /nfs/dbraw/zinc/61/35/30/497613530.db2.gz KPSHNNQLFYWCRG-UHFFFAOYSA-N 1 1 364.833 3.016 20 5 FGBDMO COCC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccco1 ZINC000272450433 497632060 /nfs/dbraw/zinc/63/20/60/497632060.db2.gz MKRJGIXUWLFGIF-UKRRQHHQSA-N 1 1 361.398 3.191 20 5 FGBDMO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000272521564 497650621 /nfs/dbraw/zinc/65/06/21/497650621.db2.gz LHYSYXLODVDMBD-OAHLLOKOSA-N 1 1 361.442 3.029 20 5 FGBDMO O=C1CCCN1[C@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000276817771 497662796 /nfs/dbraw/zinc/66/27/96/497662796.db2.gz OWEJXKIEUARFRD-INIZCTEOSA-N 1 1 355.394 3.052 20 5 FGBDMO CCOc1cc(C[N@H+]2CCC[C@H](c3nncn3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000276880933 497677371 /nfs/dbraw/zinc/67/73/71/497677371.db2.gz ISGWHXHIGNSUGX-HNNXBMFYSA-N 1 1 371.441 3.300 20 5 FGBDMO COc1cccc2c1CC[N@@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])CC2 ZINC000194571985 497707630 /nfs/dbraw/zinc/70/76/30/497707630.db2.gz OVGFRQNWADYDGP-UHFFFAOYSA-N 1 1 372.421 3.221 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](Cc1nc(C)no1)c1ccccc1 ZINC000277129006 497749269 /nfs/dbraw/zinc/74/92/69/497749269.db2.gz IIKVWXULVDCBET-QGZVFWFLSA-N 1 1 368.393 3.368 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194775670 497767278 /nfs/dbraw/zinc/76/72/78/497767278.db2.gz RBFPILFEGKVFCK-GOSISDBHSA-N 1 1 367.449 3.497 20 5 FGBDMO Cc1cc(C2CC[NH+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)n[nH]1 ZINC000272954863 497769948 /nfs/dbraw/zinc/76/99/48/497769948.db2.gz MZZGQZPVUFKBCG-AWEZNQCLSA-N 1 1 371.441 3.141 20 5 FGBDMO Cc1cc(C2CC[NH+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)[nH]n1 ZINC000272954863 497769952 /nfs/dbraw/zinc/76/99/52/497769952.db2.gz MZZGQZPVUFKBCG-AWEZNQCLSA-N 1 1 371.441 3.141 20 5 FGBDMO Cc1cccc(C(=O)Nc2nc3c(s2)C[N@H+](C(C)C)CC3)c1[N+](=O)[O-] ZINC000273026581 497786168 /nfs/dbraw/zinc/78/61/68/497786168.db2.gz LVZYWSNJVSZRQO-UHFFFAOYSA-N 1 1 360.439 3.379 20 5 FGBDMO Cc1cccc(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)C)CC3)c1[N+](=O)[O-] ZINC000273026581 497786171 /nfs/dbraw/zinc/78/61/71/497786171.db2.gz LVZYWSNJVSZRQO-UHFFFAOYSA-N 1 1 360.439 3.379 20 5 FGBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000273041817 497789013 /nfs/dbraw/zinc/78/90/13/497789013.db2.gz WGBUDYJSCUSYQR-HNNXBMFYSA-N 1 1 360.458 3.165 20 5 FGBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000246613424 497789427 /nfs/dbraw/zinc/78/94/27/497789427.db2.gz CMNZQNPDFRATIZ-FUHWJXTLSA-N 1 1 359.470 3.250 20 5 FGBDMO C[C@H]1OCC[C@@]12C[N@H+](Cc1cc(=O)oc3ccc4ccccc4c13)CCO2 ZINC000280561343 497790243 /nfs/dbraw/zinc/79/02/43/497790243.db2.gz UYHOFNSZDCQRFA-IVZQSRNASA-N 1 1 365.429 3.326 20 5 FGBDMO C[C@H]1OCC[C@@]12C[N@@H+](Cc1cc(=O)oc3ccc4ccccc4c13)CCO2 ZINC000280561343 497790246 /nfs/dbraw/zinc/79/02/46/497790246.db2.gz UYHOFNSZDCQRFA-IVZQSRNASA-N 1 1 365.429 3.326 20 5 FGBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000578396828 505929876 /nfs/dbraw/zinc/92/98/76/505929876.db2.gz BWFBVWZPFVFXKO-FQEVSTJZSA-N 1 1 358.413 3.204 20 5 FGBDMO C[C@@H]1C[C@H](CC[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000273124751 497801862 /nfs/dbraw/zinc/80/18/62/497801862.db2.gz AKCXCJVOHDIAGZ-IIDMSEBBSA-N 1 1 358.442 3.213 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@@]4(O)CCCC[C@H]4C3)o2)c1 ZINC000246939743 497821342 /nfs/dbraw/zinc/82/13/42/497821342.db2.gz NNJLDYVRBIYDPJ-JXFKEZNVSA-N 1 1 371.437 3.419 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC3(CCOCC3)CC2)c(C(F)(F)F)c1 ZINC000364243549 497858091 /nfs/dbraw/zinc/85/80/91/497858091.db2.gz SRSHSJMWOICVDO-UHFFFAOYSA-N 1 1 374.359 3.385 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCOC3(CCOCC3)CC2)c(C(F)(F)F)c1 ZINC000364243549 497858098 /nfs/dbraw/zinc/85/80/98/497858098.db2.gz SRSHSJMWOICVDO-UHFFFAOYSA-N 1 1 374.359 3.385 20 5 FGBDMO Cc1ccc([C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)[C@H](C)S(C)(=O)=O)cc1 ZINC000280875760 497932527 /nfs/dbraw/zinc/93/25/27/497932527.db2.gz OSHOQOSZJKNBPO-KBXCAEBGSA-N 1 1 362.451 3.167 20 5 FGBDMO O=C1Nc2ccccc2[C@@]12CC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000364434993 497954938 /nfs/dbraw/zinc/95/49/38/497954938.db2.gz PTWZGMJEKOWVSU-SFHVURJKSA-N 1 1 357.797 3.344 20 5 FGBDMO C[C@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)[N@H+]1CCC[C@H](C)C1 ZINC000301109338 497956198 /nfs/dbraw/zinc/95/61/98/497956198.db2.gz NIOFGVJHMVIZFA-JKSUJKDBSA-N 1 1 374.485 3.363 20 5 FGBDMO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+](C2CC2)C1 ZINC000296260298 497974905 /nfs/dbraw/zinc/97/49/05/497974905.db2.gz LPDPFABYQRSJCI-NSHDSACASA-N 1 1 352.822 3.196 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000285276476 498040438 /nfs/dbraw/zinc/04/04/38/498040438.db2.gz FGDGNDWGIGQOLR-QGZVFWFLSA-N 1 1 357.414 3.182 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000285276476 498040445 /nfs/dbraw/zinc/04/04/45/498040445.db2.gz FGDGNDWGIGQOLR-QGZVFWFLSA-N 1 1 357.414 3.182 20 5 FGBDMO O=C(CC[N@@H+]1CC[C@@H](O)c2ccccc2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000364627549 498056806 /nfs/dbraw/zinc/05/68/06/498056806.db2.gz DCHXLDCTMUPESD-GOSISDBHSA-N 1 1 373.384 3.002 20 5 FGBDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000285404626 498075022 /nfs/dbraw/zinc/07/50/22/498075022.db2.gz BCCACCAIAUQVOO-BBRMVZONSA-N 1 1 360.414 3.160 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@H](c4ccncc4)C3)n2)cc1 ZINC000289252911 498078235 /nfs/dbraw/zinc/07/82/35/498078235.db2.gz CNAVFJPVGKLKGQ-MRXNPFEDSA-N 1 1 365.393 3.419 20 5 FGBDMO C[C@@]12CCC[N@H+]1C[C@@H](c1noc(-c3c[nH]c4cc([N+](=O)[O-])ccc43)n1)OC2 ZINC000350400766 498094091 /nfs/dbraw/zinc/09/40/91/498094091.db2.gz RDUSHPZMCCDCCN-YJBOKZPZSA-N 1 1 369.381 3.052 20 5 FGBDMO COc1cc(F)c([N+](=O)[O-])c(NCC[N@@H+]2CCc3sccc3C2)c1 ZINC000301436439 498109062 /nfs/dbraw/zinc/10/90/62/498109062.db2.gz KAIHIKYOTGPVBR-UHFFFAOYSA-N 1 1 351.403 3.274 20 5 FGBDMO COc1cc(F)c([N+](=O)[O-])c(NCC[N@H+]2CCc3sccc3C2)c1 ZINC000301436439 498109068 /nfs/dbraw/zinc/10/90/68/498109068.db2.gz KAIHIKYOTGPVBR-UHFFFAOYSA-N 1 1 351.403 3.274 20 5 FGBDMO Cn1cc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c(-c2cccnc2)n1 ZINC000289368264 498122930 /nfs/dbraw/zinc/12/29/30/498122930.db2.gz LCKVHGCEHDACEL-UHFFFAOYSA-N 1 1 351.410 3.065 20 5 FGBDMO Cc1c(NC(=O)CC[N@@H+]2CCCC[C@H]2c2ccnn2C)cccc1[N+](=O)[O-] ZINC000281371739 498124618 /nfs/dbraw/zinc/12/46/18/498124618.db2.gz LRYAGSIFIQVJLD-SFHVURJKSA-N 1 1 371.441 3.193 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cc3)C2)cc(OC)c1 ZINC000301578727 498171188 /nfs/dbraw/zinc/17/11/88/498171188.db2.gz SCBOKPYBKCAWGC-INIZCTEOSA-N 1 1 357.410 3.298 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@H](O)C34CCCC4)o2)c1 ZINC000292860992 498175625 /nfs/dbraw/zinc/17/56/25/498175625.db2.gz WJRYWNSLBKWNAD-KRWDZBQOSA-N 1 1 357.410 3.172 20 5 FGBDMO CN(CC[N@@H+](C)C1CCCCC1)c1ncc(Br)cc1[N+](=O)[O-] ZINC000301632170 498198758 /nfs/dbraw/zinc/19/87/58/498198758.db2.gz BWWASMJUPBBKHS-UHFFFAOYSA-N 1 1 371.279 3.453 20 5 FGBDMO C[N@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3Br)CC[C@H]21 ZINC000301730499 498242192 /nfs/dbraw/zinc/24/21/92/498242192.db2.gz XECALJUEAXIOLJ-BXUZGUMPSA-N 1 1 354.248 3.278 20 5 FGBDMO CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCc2cccnc21 ZINC000364999939 498247973 /nfs/dbraw/zinc/24/79/73/498247973.db2.gz PPDYKSGPKLFDKN-QGZVFWFLSA-N 1 1 354.410 3.328 20 5 FGBDMO CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCc2cccnc21 ZINC000364999939 498247975 /nfs/dbraw/zinc/24/79/75/498247975.db2.gz PPDYKSGPKLFDKN-QGZVFWFLSA-N 1 1 354.410 3.328 20 5 FGBDMO COC(=O)/C=C/c1ccc(NCc2[nH+]c(C)n3c2CCCC3)c([N+](=O)[O-])c1 ZINC000360132548 498249156 /nfs/dbraw/zinc/24/91/56/498249156.db2.gz XWMBREKJUDSSKS-VQHVLOKHSA-N 1 1 370.409 3.234 20 5 FGBDMO C[N@H+]1CC[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@@H]1c1ccccc1 ZINC000301825793 498281308 /nfs/dbraw/zinc/28/13/08/498281308.db2.gz DWYIDZRMRCWHHT-QRWLVFNGSA-N 1 1 366.421 3.337 20 5 FGBDMO CCc1nn(C)c(N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)c1[N+](=O)[O-] ZINC000301914379 498325684 /nfs/dbraw/zinc/32/56/84/498325684.db2.gz FRGSYPPCPHRNMX-UHFFFAOYSA-N 1 1 371.485 3.336 20 5 FGBDMO O=[N+]([O-])c1ccc(NCCc2cn3c([nH+]2)CCCC3)cc1OC(F)F ZINC000301917352 498326648 /nfs/dbraw/zinc/32/66/48/498326648.db2.gz BLVCXUHUZCSXDV-UHFFFAOYSA-N 1 1 352.341 3.384 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCOC[C@H](C3CCC3)C2)c1 ZINC000575857847 506019142 /nfs/dbraw/zinc/01/91/42/506019142.db2.gz NELCUMOCSQGBPF-CQSZACIVSA-N 1 1 356.369 3.445 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCOC[C@H](C3CCC3)C2)c1 ZINC000575857847 506019145 /nfs/dbraw/zinc/01/91/45/506019145.db2.gz NELCUMOCSQGBPF-CQSZACIVSA-N 1 1 356.369 3.445 20 5 FGBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000578810643 506025789 /nfs/dbraw/zinc/02/57/89/506025789.db2.gz QFFSFSVYJOGFAB-GFCCVEGCSA-N 1 1 356.854 3.168 20 5 FGBDMO COc1cccc([C@@H]2[C@@H](Nc3ccc([N+](=O)[O-])cn3)CC[N@H+]2C2CC2)c1 ZINC000302063658 498392362 /nfs/dbraw/zinc/39/23/62/498392362.db2.gz RVIPWQUHVXZCBA-PKOBYXMFSA-N 1 1 354.410 3.388 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCCN(C(=O)c2ccncc2)CC1 ZINC000361770378 498428041 /nfs/dbraw/zinc/42/80/41/498428041.db2.gz WVBWQDFTZWICLE-MRXNPFEDSA-N 1 1 368.437 3.207 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCCN(C(=O)c2ccncc2)CC1 ZINC000361770378 498428048 /nfs/dbraw/zinc/42/80/48/498428048.db2.gz WVBWQDFTZWICLE-MRXNPFEDSA-N 1 1 368.437 3.207 20 5 FGBDMO CC(C)[N@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000293610540 498428831 /nfs/dbraw/zinc/42/88/31/498428831.db2.gz WMVBEHRBXYCUCQ-NSHDSACASA-N 1 1 359.348 3.216 20 5 FGBDMO COc1cc(C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c([N+](=O)[O-])cc1OC ZINC000293715810 498465291 /nfs/dbraw/zinc/46/52/91/498465291.db2.gz SVMXZGCNGSRTGR-SFHVURJKSA-N 1 1 362.426 3.003 20 5 FGBDMO CC(=O)c1ccc(N2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000362616011 498524900 /nfs/dbraw/zinc/52/49/00/498524900.db2.gz LAWFTXKLGZVISK-MRXNPFEDSA-N 1 1 357.454 3.498 20 5 FGBDMO Cc1[nH+]c(CNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c2n1CCCC2 ZINC000362635355 498529191 /nfs/dbraw/zinc/52/91/91/498529191.db2.gz MYKBCGPAMCMXLW-ZDUSSCGKSA-N 1 1 371.441 3.305 20 5 FGBDMO Cc1sc(C(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)cc1[N+](=O)[O-] ZINC000290412786 498542266 /nfs/dbraw/zinc/54/22/66/498542266.db2.gz QYJGWPKPLULKJB-UHFFFAOYSA-N 1 1 360.439 3.198 20 5 FGBDMO Cc1c(Br)c(N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ncc1[N+](=O)[O-] ZINC000576012178 506056190 /nfs/dbraw/zinc/05/61/90/506056190.db2.gz BNMUJZCZOHJVQI-FOSCPWQOSA-N 1 1 369.263 3.122 20 5 FGBDMO CC[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)CC1 ZINC000332197969 498597739 /nfs/dbraw/zinc/59/77/39/498597739.db2.gz BFBHHOIWNURNSP-UHFFFAOYSA-N 1 1 351.472 3.263 20 5 FGBDMO Cc1cccnc1NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000365766403 498631824 /nfs/dbraw/zinc/63/18/24/498631824.db2.gz VFHWPHDCSOGLRV-MRXNPFEDSA-N 1 1 354.410 3.149 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3c[nH]nc3-c3ccc(F)cc3)nc2c1 ZINC000365817874 498654336 /nfs/dbraw/zinc/65/43/36/498654336.db2.gz RWBCHKVZJKOKGJ-UHFFFAOYSA-N 1 1 366.356 3.290 20 5 FGBDMO Cc1ccc([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)cc1[N+](=O)[O-] ZINC000363132275 498665991 /nfs/dbraw/zinc/66/59/91/498665991.db2.gz ZMDAPHRIMFJMMC-CRAIPNDOSA-N 1 1 368.437 3.140 20 5 FGBDMO Cc1ccc([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)cc1[N+](=O)[O-] ZINC000363132275 498665998 /nfs/dbraw/zinc/66/59/98/498665998.db2.gz ZMDAPHRIMFJMMC-CRAIPNDOSA-N 1 1 368.437 3.140 20 5 FGBDMO C[C@@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000303541604 498690063 /nfs/dbraw/zinc/69/00/63/498690063.db2.gz YPDANBXNDJRTLE-INIZCTEOSA-N 1 1 370.453 3.034 20 5 FGBDMO CCC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1C[C@@H](OCC)C1(C)C ZINC000303944272 498730097 /nfs/dbraw/zinc/73/00/97/498730097.db2.gz ZBANCYZXVKSAFX-IAGOWNOFSA-N 1 1 363.458 3.109 20 5 FGBDMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000294807131 498812148 /nfs/dbraw/zinc/81/21/48/498812148.db2.gz NKYMAIFJKQICBZ-GXTWGEPZSA-N 1 1 359.813 3.029 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]CC(C)(C)c1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000294810289 498812452 /nfs/dbraw/zinc/81/24/52/498812452.db2.gz NTJJGLXGHYZXMX-SFHVURJKSA-N 1 1 365.437 3.380 20 5 FGBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000573038773 506104005 /nfs/dbraw/zinc/10/40/05/506104005.db2.gz UKYCVFBWTLFGQV-UHFFFAOYSA-N 1 1 371.485 3.468 20 5 FGBDMO CC[C@@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000570184002 506110274 /nfs/dbraw/zinc/11/02/74/506110274.db2.gz JBJABYMNPUUAAW-SFHVURJKSA-N 1 1 355.438 3.464 20 5 FGBDMO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000295146456 498925601 /nfs/dbraw/zinc/92/56/01/498925601.db2.gz BMJMKZKTWGUBSK-XJKSGUPXSA-N 1 1 363.845 3.337 20 5 FGBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000288414787 499018918 /nfs/dbraw/zinc/01/89/18/499018918.db2.gz LUPJZRKIUMFUCV-UHFFFAOYSA-N 1 1 358.446 3.036 20 5 FGBDMO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000284152319 499058259 /nfs/dbraw/zinc/05/82/59/499058259.db2.gz VSIBGYZDYBBDQE-LLVKDONJSA-N 1 1 354.453 3.301 20 5 FGBDMO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000367926854 499246415 /nfs/dbraw/zinc/24/64/15/499246415.db2.gz MHIINNKHJSAGLE-IFXJQAMLSA-N 1 1 371.441 3.026 20 5 FGBDMO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000367926854 499246417 /nfs/dbraw/zinc/24/64/17/499246417.db2.gz MHIINNKHJSAGLE-IFXJQAMLSA-N 1 1 371.441 3.026 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3CCc4[nH]cnc4C3)cs2)c1 ZINC000368087661 499262945 /nfs/dbraw/zinc/26/29/45/499262945.db2.gz BVPIRFWPOPEVFL-GFCCVEGCSA-N 1 1 355.423 3.089 20 5 FGBDMO CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000371121541 499290634 /nfs/dbraw/zinc/29/06/34/499290634.db2.gz FGLVZSCWSMZPME-JEJOPICUSA-N 1 1 354.410 3.058 20 5 FGBDMO Cc1ccc2c(C[N@H+]3CCC[C@@H](n4cc([N+](=O)[O-])cn4)C3)cc(=O)oc2c1 ZINC000368998523 499354975 /nfs/dbraw/zinc/35/49/75/499354975.db2.gz ASSKLKWEPOVYML-OAHLLOKOSA-N 1 1 368.393 3.043 20 5 FGBDMO CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000371862516 499372909 /nfs/dbraw/zinc/37/29/09/499372909.db2.gz DYVRWZYBWNILBQ-ZDUSSCGKSA-N 1 1 362.817 3.312 20 5 FGBDMO COc1cc(C[N@@H+](C)C2CCN(c3ccccn3)CC2)c([N+](=O)[O-])cc1F ZINC000372009946 499389539 /nfs/dbraw/zinc/38/95/39/499389539.db2.gz MRCVISRTYMUVCB-UHFFFAOYSA-N 1 1 374.416 3.238 20 5 FGBDMO Cc1c([C@H](C)N[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000372045502 499392594 /nfs/dbraw/zinc/39/25/94/499392594.db2.gz DGFWTSWHXDASDF-NOCIGQNYSA-N 1 1 361.486 3.443 20 5 FGBDMO Cc1c([C@H](C)N[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000372045502 499392595 /nfs/dbraw/zinc/39/25/95/499392595.db2.gz DGFWTSWHXDASDF-NOCIGQNYSA-N 1 1 361.486 3.443 20 5 FGBDMO CCc1ccc(C(=O)N2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)cc1[N+](=O)[O-] ZINC000372419442 499432697 /nfs/dbraw/zinc/43/26/97/499432697.db2.gz CEPMCDJPFRMAGV-KRWDZBQOSA-N 1 1 371.481 3.494 20 5 FGBDMO COCCn1cc2c(n1)[C@H]([NH2+][C@H]1CCCc3ccc([N+](=O)[O-])cc31)CCC2 ZINC000373209828 499457460 /nfs/dbraw/zinc/45/74/60/499457460.db2.gz XLWMSMLTDVXMMR-RBUKOAKNSA-N 1 1 370.453 3.482 20 5 FGBDMO COc1ccc(C[NH+]2CCC(c3noc(C(F)F)n3)CC2)cc1[N+](=O)[O-] ZINC000373291269 499461860 /nfs/dbraw/zinc/46/18/60/499461860.db2.gz DICXYVYXHCNNGS-UHFFFAOYSA-N 1 1 368.340 3.304 20 5 FGBDMO COc1cc(N(C)CCC[N@@H+](C)Cc2ccco2)c(F)cc1[N+](=O)[O-] ZINC000570353008 506147281 /nfs/dbraw/zinc/14/72/81/506147281.db2.gz MVMYMKWDVVSVEK-UHFFFAOYSA-N 1 1 351.378 3.294 20 5 FGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)cc1 ZINC000375444974 499519943 /nfs/dbraw/zinc/51/99/43/499519943.db2.gz OEEDECNDMCBEJO-CQSZACIVSA-N 1 1 358.398 3.114 20 5 FGBDMO COCCn1cc2c(n1)[C@@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)CCC2 ZINC000378564920 499532362 /nfs/dbraw/zinc/53/23/62/499532362.db2.gz WHDROKSBAZCYKV-HNNXBMFYSA-N 1 1 364.833 3.258 20 5 FGBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000389063491 499552294 /nfs/dbraw/zinc/55/22/94/499552294.db2.gz SZVMYOJXNQAUES-PBHICJAKSA-N 1 1 357.458 3.442 20 5 FGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000376402965 499605838 /nfs/dbraw/zinc/60/58/38/499605838.db2.gz LISCFBDYIBVGBR-SLHHOWHOSA-N 1 1 363.483 3.159 20 5 FGBDMO O=[N+]([O-])c1cnc(N2CCC[C@@H]2[C@@H]2CCC[N@H+]2Cc2ccccc2)nc1 ZINC000376922881 499646604 /nfs/dbraw/zinc/64/66/04/499646604.db2.gz LYVJGCWGCPKZQL-ZWKOTPCHSA-N 1 1 353.426 3.018 20 5 FGBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H]1C ZINC000410642983 499672255 /nfs/dbraw/zinc/67/22/55/499672255.db2.gz ZKAXQQIKIIUUNF-GHMZBOCLSA-N 1 1 359.348 3.168 20 5 FGBDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)CO1 ZINC000411296735 499722919 /nfs/dbraw/zinc/72/29/19/499722919.db2.gz KZFLDUSGZGXKHX-DNVCBOLYSA-N 1 1 369.421 3.385 20 5 FGBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)CO1 ZINC000411296735 499722921 /nfs/dbraw/zinc/72/29/21/499722921.db2.gz KZFLDUSGZGXKHX-DNVCBOLYSA-N 1 1 369.421 3.385 20 5 FGBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000377972254 499752129 /nfs/dbraw/zinc/75/21/29/499752129.db2.gz OSAUKXPBJXCTEH-KXBFYZLASA-N 1 1 354.410 3.297 20 5 FGBDMO COc1ccc(NC(=O)CC[NH2+]C2(C(F)F)CCCCC2)c([N+](=O)[O-])c1 ZINC000411718858 499782569 /nfs/dbraw/zinc/78/25/69/499782569.db2.gz MFJFXLYWFFKDCZ-UHFFFAOYSA-N 1 1 371.384 3.490 20 5 FGBDMO COC(=O)[C@@]1(C)CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000412067776 499819952 /nfs/dbraw/zinc/81/99/52/499819952.db2.gz MELWVWSUACQPMU-HNNXBMFYSA-N 1 1 360.332 3.389 20 5 FGBDMO COC(=O)[C@@]1(C)CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000412067776 499819953 /nfs/dbraw/zinc/81/99/53/499819953.db2.gz MELWVWSUACQPMU-HNNXBMFYSA-N 1 1 360.332 3.389 20 5 FGBDMO CCc1ccccc1[C@H]([NH3+])CN[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000415073055 499860852 /nfs/dbraw/zinc/86/08/52/499860852.db2.gz YXXOGZUEQPNALI-AUUYWEPGSA-N 1 1 370.453 3.164 20 5 FGBDMO C[C@H](c1cccnc1)[NH+]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413145413 499919255 /nfs/dbraw/zinc/91/92/55/499919255.db2.gz RKDMGSLWYBHOIC-OAHLLOKOSA-N 1 1 363.421 3.421 20 5 FGBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ncc([N+](=O)[O-])cc1F ZINC000413169330 499921887 /nfs/dbraw/zinc/92/18/87/499921887.db2.gz MKGFIKLYIGHQME-MRXNPFEDSA-N 1 1 358.417 3.477 20 5 FGBDMO CCCn1ccnc1CCC[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000429239141 500030786 /nfs/dbraw/zinc/03/07/86/500030786.db2.gz PLUUNTLXKQACLF-UHFFFAOYSA-N 1 1 373.457 3.013 20 5 FGBDMO COc1cc(C[N@@H+]2CCN(c3cccc(F)c3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000429242710 500032476 /nfs/dbraw/zinc/03/24/76/500032476.db2.gz WWNRWUMDGLLDSA-CQSZACIVSA-N 1 1 359.401 3.453 20 5 FGBDMO COc1cc(C[N@H+]2CCN(c3cccc(F)c3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000429242710 500032489 /nfs/dbraw/zinc/03/24/89/500032489.db2.gz WWNRWUMDGLLDSA-CQSZACIVSA-N 1 1 359.401 3.453 20 5 FGBDMO COc1cc(C[N@@H+](C)C2CC(OC(C)(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000421381453 500033766 /nfs/dbraw/zinc/03/37/66/500033766.db2.gz ZYZKOJPIAUMIOO-UHFFFAOYSA-N 1 1 352.431 3.390 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](CSC)C1 ZINC000429288995 500043321 /nfs/dbraw/zinc/04/33/21/500043321.db2.gz XHRYYURDVJDYFA-CYBMUJFWSA-N 1 1 367.471 3.007 20 5 FGBDMO CC1(C)CN(c2ccc(Cl)cc2)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000429296768 500046617 /nfs/dbraw/zinc/04/66/17/500046617.db2.gz SKFFNURDHKWHHR-UHFFFAOYSA-N 1 1 363.849 3.046 20 5 FGBDMO O=[N+]([O-])c1c(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)nc2sccn21 ZINC000425272272 500062154 /nfs/dbraw/zinc/06/21/54/500062154.db2.gz FRJOPRNXOLZPGZ-LSDHHAIUSA-N 1 1 369.450 3.015 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000421533739 500074373 /nfs/dbraw/zinc/07/43/73/500074373.db2.gz KSGPAUDRKSFCOL-SFHVURJKSA-N 1 1 367.449 3.464 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000421792505 500152282 /nfs/dbraw/zinc/15/22/82/500152282.db2.gz OZUHVSDEDFCOKI-IEBWSBKVSA-N 1 1 353.422 3.387 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000421902409 500172507 /nfs/dbraw/zinc/17/25/07/500172507.db2.gz CHYAFUWZXKXQID-KRWDZBQOSA-N 1 1 369.421 3.031 20 5 FGBDMO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000430084999 500190089 /nfs/dbraw/zinc/19/00/89/500190089.db2.gz LMXVEUDGZDXNGL-WFNSPDMASA-N 1 1 366.417 3.425 20 5 FGBDMO CCC[N@H+](CC(N)=O)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000430139445 500198558 /nfs/dbraw/zinc/19/85/58/500198558.db2.gz PZMQSMMYEUYLGY-UHFFFAOYSA-N 1 1 356.426 3.060 20 5 FGBDMO CCC[N@@H+](CC(N)=O)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000430139445 500198561 /nfs/dbraw/zinc/19/85/61/500198561.db2.gz PZMQSMMYEUYLGY-UHFFFAOYSA-N 1 1 356.426 3.060 20 5 FGBDMO C[C@H]1CCc2nc(C[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)sc2C1 ZINC000425970809 500218734 /nfs/dbraw/zinc/21/87/34/500218734.db2.gz JNEYKHWLUOCCBH-LBPRGKRZSA-N 1 1 361.471 3.210 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000430309527 500225022 /nfs/dbraw/zinc/22/50/22/500225022.db2.gz WMHFJSFLJNGUJE-MRXNPFEDSA-N 1 1 369.421 3.088 20 5 FGBDMO Cc1ccnc([C@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)c1 ZINC000579489447 506187363 /nfs/dbraw/zinc/18/73/63/506187363.db2.gz UIYCPYHQBDMMPJ-AWEZNQCLSA-N 1 1 355.394 3.154 20 5 FGBDMO CC(C)(c1nc([C@@H]2C[N@@H+]3CCC[C@]3(C)CO2)no1)c1ccccc1[N+](=O)[O-] ZINC000426604449 500293906 /nfs/dbraw/zinc/29/39/06/500293906.db2.gz UFXPETPSIRAUNC-HNAYVOBHSA-N 1 1 372.425 3.230 20 5 FGBDMO CC(C)(c1nc([C@@H]2C[N@H+]3CCC[C@]3(C)CO2)no1)c1ccccc1[N+](=O)[O-] ZINC000426604449 500293908 /nfs/dbraw/zinc/29/39/08/500293908.db2.gz UFXPETPSIRAUNC-HNAYVOBHSA-N 1 1 372.425 3.230 20 5 FGBDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000428022249 500459268 /nfs/dbraw/zinc/45/92/68/500459268.db2.gz LSHVUGNSBBWGCS-OAHLLOKOSA-N 1 1 369.421 3.037 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000428022249 500459270 /nfs/dbraw/zinc/45/92/70/500459270.db2.gz LSHVUGNSBBWGCS-OAHLLOKOSA-N 1 1 369.421 3.037 20 5 FGBDMO O=[N+]([O-])c1cccc(Cl)c1NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000432164414 500478704 /nfs/dbraw/zinc/47/87/04/500478704.db2.gz DLSDYUMKXXBZQT-HNNXBMFYSA-N 1 1 361.829 3.427 20 5 FGBDMO Nc1c(F)c(NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1[N+](=O)[O-] ZINC000428689044 500543758 /nfs/dbraw/zinc/54/37/58/500543758.db2.gz IPDVEYUXPAJLSV-HNNXBMFYSA-N 1 1 374.416 3.019 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@@H](O)CC34CCC4)o2)c1 ZINC000420998062 500550267 /nfs/dbraw/zinc/55/02/67/500550267.db2.gz SUXKVIRFEOVRAA-MRXNPFEDSA-N 1 1 357.410 3.172 20 5 FGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C(N)=O)[C@@H](C)c1ccccc1 ZINC000428860716 500566852 /nfs/dbraw/zinc/56/68/52/500566852.db2.gz MSBPNVGSRDNLMU-IFXJQAMLSA-N 1 1 371.437 3.129 20 5 FGBDMO Cc1ccccc1C[C@@H](C)[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000447403116 500600957 /nfs/dbraw/zinc/60/09/57/500600957.db2.gz CNRDITSZPNYKJK-VQIMIIECSA-N 1 1 358.438 3.206 20 5 FGBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000437183701 500611356 /nfs/dbraw/zinc/61/13/56/500611356.db2.gz MPAHEHBISVELLT-NEPJUHHUSA-N 1 1 373.375 3.464 20 5 FGBDMO C[N@H+]1CCC[C@H]1CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000447681063 500644325 /nfs/dbraw/zinc/64/43/25/500644325.db2.gz VTZILRDKKVYSJQ-QMMMGPOBSA-N 1 1 354.279 3.150 20 5 FGBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000447894177 500687022 /nfs/dbraw/zinc/68/70/22/500687022.db2.gz RXUFHSKELIWBRU-AWEZNQCLSA-N 1 1 354.838 3.490 20 5 FGBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC000448193801 500731321 /nfs/dbraw/zinc/73/13/21/500731321.db2.gz OLJKYNHSGOZJRG-YPMHNXCESA-N 1 1 371.359 3.170 20 5 FGBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000448258566 500741012 /nfs/dbraw/zinc/74/10/12/500741012.db2.gz XBCCGRKTCNYGJJ-GOSISDBHSA-N 1 1 374.485 3.389 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000438507734 500794764 /nfs/dbraw/zinc/79/47/64/500794764.db2.gz UQCNCUWUPJKHET-HXUWFJFHSA-N 1 1 369.421 3.206 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000438507734 500794766 /nfs/dbraw/zinc/79/47/66/500794766.db2.gz UQCNCUWUPJKHET-HXUWFJFHSA-N 1 1 369.421 3.206 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H](CCO)c1ccccc1 ZINC000444236225 500822002 /nfs/dbraw/zinc/82/20/02/500822002.db2.gz GSCCJBLELRIZDZ-LJQANCHMSA-N 1 1 371.437 3.287 20 5 FGBDMO CC(C)(NC(=O)NC[C@H]1CCCC[N@H+]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000434351566 500830057 /nfs/dbraw/zinc/83/00/57/500830057.db2.gz KSKFDLGBTQPOAK-QGZVFWFLSA-N 1 1 360.458 3.146 20 5 FGBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000438998085 500845248 /nfs/dbraw/zinc/84/52/48/500845248.db2.gz JYXONXIQYZCNSH-INIZCTEOSA-N 1 1 361.486 3.463 20 5 FGBDMO CC[C@H]1CCCC[C@@H]1[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000444663230 500874807 /nfs/dbraw/zinc/87/48/07/500874807.db2.gz KETBIUAXAMRFSU-YOEHRIQHSA-N 1 1 354.472 3.269 20 5 FGBDMO CC(C)[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H](O)COc1ccccc1 ZINC000444812585 500906035 /nfs/dbraw/zinc/90/60/35/500906035.db2.gz LKSLVEFRZGUUTR-LJQANCHMSA-N 1 1 358.438 3.288 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000444909734 500920558 /nfs/dbraw/zinc/92/05/58/500920558.db2.gz ZKEXNVTYVRFWKY-AWEZNQCLSA-N 1 1 372.425 3.245 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C3(CF)CCOCC3)cs2)c1 ZINC000449445239 501004340 /nfs/dbraw/zinc/00/43/40/501004340.db2.gz GTEVZRMVVBWNIT-UHFFFAOYSA-N 1 1 351.403 3.327 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]C[C@H]1CCCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000449493919 501016526 /nfs/dbraw/zinc/01/65/26/501016526.db2.gz MJVYFXFKFOSBTB-HIFRSBDPSA-N 1 1 350.369 3.443 20 5 FGBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436075901 501066352 /nfs/dbraw/zinc/06/63/52/501066352.db2.gz OLRBAUKXSKYIEN-JKSUJKDBSA-N 1 1 361.445 3.038 20 5 FGBDMO Cc1ccc(N2CCC(Nc3nccc4cc([N+](=O)[O-])ccc43)CC2)[nH+]c1 ZINC000450345350 501096265 /nfs/dbraw/zinc/09/62/65/501096265.db2.gz ATSRILIHPYLVRD-UHFFFAOYSA-N 1 1 363.421 3.349 20 5 FGBDMO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[NH+](Cc2cccs2)CC1 ZINC000436273519 501099348 /nfs/dbraw/zinc/09/93/48/501099348.db2.gz JYMALUFAYRFLMF-UHFFFAOYSA-N 1 1 372.372 3.392 20 5 FGBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436347343 501111931 /nfs/dbraw/zinc/11/19/31/501111931.db2.gz ZSKDTNZZNYIIFC-CYBMUJFWSA-N 1 1 369.440 3.281 20 5 FGBDMO COc1ccc(OCC[N@@H+](C)Cc2ccc(OC)c(C)c2)c([N+](=O)[O-])c1 ZINC000441491117 501148024 /nfs/dbraw/zinc/14/80/24/501148024.db2.gz RVXMQBFEMPBDSD-UHFFFAOYSA-N 1 1 360.410 3.431 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CC/C=C/c2ccccc2)CC1 ZINC000450573134 501157648 /nfs/dbraw/zinc/15/76/48/501157648.db2.gz WLTFDZOZEFEHEB-XBXARRHUSA-N 1 1 365.433 3.456 20 5 FGBDMO CCC(C)(C)[C@H]1CCC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000441672966 501163862 /nfs/dbraw/zinc/16/38/62/501163862.db2.gz YLLXQGRFFZYFII-MRXNPFEDSA-N 1 1 363.414 3.163 20 5 FGBDMO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](Nc1nccc3cc([N+](=O)[O-])ccc31)C2 ZINC000450297577 501228314 /nfs/dbraw/zinc/22/83/14/501228314.db2.gz JEFRHKVJPMVESC-CQSZACIVSA-N 1 1 365.437 3.486 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451361868 501275205 /nfs/dbraw/zinc/27/52/05/501275205.db2.gz GZQWOUZWPQADPG-KWJIQHCISA-N 1 1 371.437 3.074 20 5 FGBDMO O=[N+]([O-])c1ccc2oc(CNC[C@H]3CC[N@@H+](Cc4ccccc4)C3)nc2c1 ZINC000602646508 506244102 /nfs/dbraw/zinc/24/41/02/506244102.db2.gz AFNDZSUXZLLHIH-MRXNPFEDSA-N 1 1 366.421 3.348 20 5 FGBDMO CCC[C@H]([NH2+]Cc1nc(-c2ccccn2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000453360705 501319867 /nfs/dbraw/zinc/31/98/67/501319867.db2.gz PNHPKFVMYCCIPR-HNNXBMFYSA-N 1 1 352.398 3.406 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451700075 501354188 /nfs/dbraw/zinc/35/41/88/501354188.db2.gz XDCDLEWTCHZHRR-DNNBLBMLSA-N 1 1 372.425 3.189 20 5 FGBDMO C[N@H+]1CCC[C@H](CCNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000458187060 501387363 /nfs/dbraw/zinc/38/73/63/501387363.db2.gz HSXHCBQVJRKYQX-GFCCVEGCSA-N 1 1 371.890 3.188 20 5 FGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451882322 501392531 /nfs/dbraw/zinc/39/25/31/501392531.db2.gz CBWHCEUSJYCFKY-IAQYHMDHSA-N 1 1 362.348 3.127 20 5 FGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451882322 501392532 /nfs/dbraw/zinc/39/25/32/501392532.db2.gz CBWHCEUSJYCFKY-IAQYHMDHSA-N 1 1 362.348 3.127 20 5 FGBDMO CC(=O)NCC[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602662549 506250578 /nfs/dbraw/zinc/25/05/78/506250578.db2.gz OYKHGGAWAWDLBO-CYBMUJFWSA-N 1 1 373.375 3.352 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2CCC(C)(O)CC2)cc1OC ZINC000611667574 506251018 /nfs/dbraw/zinc/25/10/18/506251018.db2.gz TXBZNZDBIUDLGM-AWEZNQCLSA-N 1 1 366.458 3.375 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C1CCN(CC(F)(F)F)CC1 ZINC000452028669 501420700 /nfs/dbraw/zinc/42/07/00/501420700.db2.gz CMAPWLQJMAWXKP-UHFFFAOYSA-N 1 1 361.364 3.062 20 5 FGBDMO CCOCCC[N@H+]1CC[C@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000611705105 506266287 /nfs/dbraw/zinc/26/62/87/506266287.db2.gz FMRNYGLUSXEMOT-YOEHRIQHSA-N 1 1 373.457 3.087 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@](C)(C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000459565077 501677574 /nfs/dbraw/zinc/67/75/74/501677574.db2.gz RIBSTNWJRMXRDO-SFHVURJKSA-N 1 1 350.415 3.157 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459657134 501693960 /nfs/dbraw/zinc/69/39/60/501693960.db2.gz FDSSIGXFFNMAFG-WQVCFCJDSA-N 1 1 370.409 3.207 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459657134 501693963 /nfs/dbraw/zinc/69/39/63/501693963.db2.gz FDSSIGXFFNMAFG-WQVCFCJDSA-N 1 1 370.409 3.207 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000459797738 501715432 /nfs/dbraw/zinc/71/54/32/501715432.db2.gz TVEMUQLKYKPKFR-WMLDXEAASA-N 1 1 352.406 3.116 20 5 FGBDMO COCC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C[C@@H]1CC=CCC1 ZINC000485127786 501730752 /nfs/dbraw/zinc/73/07/52/501730752.db2.gz CNTHOHZYIGLCJO-MRXNPFEDSA-N 1 1 361.442 3.146 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000599000039 506270876 /nfs/dbraw/zinc/27/08/76/506270876.db2.gz RCCHGTNYTKVJEA-OAHLLOKOSA-N 1 1 355.385 3.303 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@H]2CCN2C2CCCC2)c1 ZINC000599000039 506270878 /nfs/dbraw/zinc/27/08/78/506270878.db2.gz RCCHGTNYTKVJEA-OAHLLOKOSA-N 1 1 355.385 3.303 20 5 FGBDMO Cc1c(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000481469477 501784797 /nfs/dbraw/zinc/78/47/97/501784797.db2.gz YHERINNMBUURMR-LJQANCHMSA-N 1 1 353.422 3.184 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000463973168 501868035 /nfs/dbraw/zinc/86/80/35/501868035.db2.gz SNIZPDMNAQWXEH-UHFFFAOYSA-N 1 1 368.437 3.391 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cc(F)cc(Cl)c3)C2)nc1 ZINC000485725533 501915655 /nfs/dbraw/zinc/91/56/55/501915655.db2.gz NDFJRVHFHYOVLS-CQSZACIVSA-N 1 1 350.781 3.469 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cc(F)cc(Cl)c3)C2)nc1 ZINC000485725533 501915660 /nfs/dbraw/zinc/91/56/60/501915660.db2.gz NDFJRVHFHYOVLS-CQSZACIVSA-N 1 1 350.781 3.469 20 5 FGBDMO O=C1[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCN1C1CCC1 ZINC000599020919 506281891 /nfs/dbraw/zinc/28/18/91/506281891.db2.gz VUSRXMQBDAEZGR-INIZCTEOSA-N 1 1 355.394 3.098 20 5 FGBDMO COC(=O)c1cnc(N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000478283585 501930362 /nfs/dbraw/zinc/93/03/62/501930362.db2.gz SAXYXBJSRMMMLI-XJKSGUPXSA-N 1 1 370.409 3.024 20 5 FGBDMO C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(N)c2F)[C@@H]1c1ccc(F)c(F)c1 ZINC000485978187 502008518 /nfs/dbraw/zinc/00/85/18/502008518.db2.gz HPVOWVKHZHKPRK-DYVFJYSZSA-N 1 1 366.343 3.452 20 5 FGBDMO C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(N)c2F)[C@@H]1c1ccc(F)c(F)c1 ZINC000485978187 502008523 /nfs/dbraw/zinc/00/85/23/502008523.db2.gz HPVOWVKHZHKPRK-DYVFJYSZSA-N 1 1 366.343 3.452 20 5 FGBDMO O=c1cc2c(n[nH]1)CC[N@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)s1)C2 ZINC000482313027 502037690 /nfs/dbraw/zinc/03/76/90/502037690.db2.gz NBOFPEACGGHQLA-UHFFFAOYSA-N 1 1 368.418 3.377 20 5 FGBDMO C[C@H]1[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCC[N@H+]1C ZINC000475193006 502094921 /nfs/dbraw/zinc/09/49/21/502094921.db2.gz NPUANMYCMDTWOY-JOYOIKCWSA-N 1 1 360.336 3.218 20 5 FGBDMO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000475203594 502098479 /nfs/dbraw/zinc/09/84/79/502098479.db2.gz HGBBTLNKWFJYOX-TZMCWYRMSA-N 1 1 372.347 3.362 20 5 FGBDMO CO[C@]1(C)C[C@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1(C)C ZINC000464831096 502109914 /nfs/dbraw/zinc/10/99/14/502109914.db2.gz RLVFMPOZFHXVDF-QFBILLFUSA-N 1 1 363.458 3.367 20 5 FGBDMO Cc1sc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000475318203 502133011 /nfs/dbraw/zinc/13/30/11/502133011.db2.gz PCOVVKXUQNOPOB-OAHLLOKOSA-N 1 1 359.451 3.311 20 5 FGBDMO COc1cc(C[N@H+]2C[C@H](O)C[C@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000471804559 502141186 /nfs/dbraw/zinc/14/11/86/502141186.db2.gz MSDSGCHAWFCSDV-RDTXWAMCSA-N 1 1 372.421 3.138 20 5 FGBDMO C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000596180909 506295766 /nfs/dbraw/zinc/29/57/66/506295766.db2.gz ZVAMSSNRWCABQR-WBVHZDCISA-N 1 1 374.828 3.204 20 5 FGBDMO C[N@H+]1CC[C@@H]2CCN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000486602552 502204897 /nfs/dbraw/zinc/20/48/97/502204897.db2.gz YSKXKLVXXIOUEL-FOIQADDNSA-N 1 1 365.433 3.356 20 5 FGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@H]1c1nc2ccccc2n1C ZINC000602792338 506302584 /nfs/dbraw/zinc/30/25/84/506302584.db2.gz OOBLRCUAWXOQOJ-KRWDZBQOSA-N 1 1 368.441 3.214 20 5 FGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC[C@H]1c1nc2ccccc2n1C ZINC000602792338 506302591 /nfs/dbraw/zinc/30/25/91/506302591.db2.gz OOBLRCUAWXOQOJ-KRWDZBQOSA-N 1 1 368.441 3.214 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2[C@H](C)C[C@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000475711109 502260802 /nfs/dbraw/zinc/26/08/02/502260802.db2.gz AVNYIXOBKVZVBT-BMFZPTHFSA-N 1 1 362.426 3.300 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2C[C@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000475712433 502261003 /nfs/dbraw/zinc/26/10/03/502261003.db2.gz ZNWWAIATJUYWOQ-KGLIPLIRSA-N 1 1 350.415 3.157 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+]2Cc3ccccc3C[C@H]2C)cc1[N+](=O)[O-] ZINC000475713012 502261281 /nfs/dbraw/zinc/26/12/81/502261281.db2.gz ADRBFVAOVPFWRR-CQSZACIVSA-N 1 1 370.405 3.093 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2Cc3ccccc3C[C@H]2C)cc1[N+](=O)[O-] ZINC000475713012 502261285 /nfs/dbraw/zinc/26/12/85/502261285.db2.gz ADRBFVAOVPFWRR-CQSZACIVSA-N 1 1 370.405 3.093 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CCCC(C)(C)CC2)cc1[N+](=O)[O-] ZINC000475725370 502266361 /nfs/dbraw/zinc/26/63/61/502266361.db2.gz YBGFEYWNKIHZOM-UHFFFAOYSA-N 1 1 350.415 3.159 20 5 FGBDMO Cc1c(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000479727802 502357986 /nfs/dbraw/zinc/35/79/86/502357986.db2.gz BYTFOJGPRNZCAS-MJGOQNOKSA-N 1 1 368.437 3.148 20 5 FGBDMO Cn1ccnc1[C@H](NC[C@H]1CC[N@H+]1C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000599073530 506310274 /nfs/dbraw/zinc/31/02/74/506310274.db2.gz IHYSTLKCTJWSFY-RTBURBONSA-N 1 1 369.469 3.024 20 5 FGBDMO CCn1nc(C)c([N+](=O)[O-])c1Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000479982751 502437316 /nfs/dbraw/zinc/43/73/16/502437316.db2.gz CSBDJOYDDNYMDF-CQSZACIVSA-N 1 1 359.430 3.256 20 5 FGBDMO Cc1cccc(NCCNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[nH+]1 ZINC000469576339 502468590 /nfs/dbraw/zinc/46/85/90/502468590.db2.gz JXDUTQIXUNYQGG-UHFFFAOYSA-N 1 1 356.407 3.355 20 5 FGBDMO CCC(=O)c1ccc(Nc2ccc(N3CCOCC3)[nH+]c2C)c([N+](=O)[O-])c1 ZINC000480092518 502469519 /nfs/dbraw/zinc/46/95/19/502469519.db2.gz ODWSWKLVXLIBDD-UHFFFAOYSA-N 1 1 370.409 3.471 20 5 FGBDMO Cc1cc(NC2CC([NH+]3CCOCC3)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000599093806 506321283 /nfs/dbraw/zinc/32/12/83/506321283.db2.gz AHBIDNGHCOKXSH-UHFFFAOYSA-N 1 1 359.348 3.197 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1CNc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000462875072 502609669 /nfs/dbraw/zinc/60/96/69/502609669.db2.gz GGRDLLGVAXMDRF-IBGZPJMESA-N 1 1 371.437 3.172 20 5 FGBDMO COC(=O)c1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)n(C)c1C ZINC000462958842 502642196 /nfs/dbraw/zinc/64/21/96/502642196.db2.gz XFWGWKLDQNKFFZ-UHFFFAOYSA-N 1 1 357.410 3.193 20 5 FGBDMO COC(=O)c1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)n(C)c1C ZINC000462958842 502642200 /nfs/dbraw/zinc/64/22/00/502642200.db2.gz XFWGWKLDQNKFFZ-UHFFFAOYSA-N 1 1 357.410 3.193 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@@]3(CCCOC3)C2)cccc1[N+](=O)[O-] ZINC000477046160 502659579 /nfs/dbraw/zinc/65/95/79/502659579.db2.gz FSJQNHBOVRLCPX-HNAYVOBHSA-N 1 1 361.442 3.123 20 5 FGBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000463060811 502679704 /nfs/dbraw/zinc/67/97/04/502679704.db2.gz BJXISENZQGMCGA-HNNXBMFYSA-N 1 1 362.474 3.389 20 5 FGBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000470151596 502681226 /nfs/dbraw/zinc/68/12/26/502681226.db2.gz MWWQGESXLSIJKA-ZDUSSCGKSA-N 1 1 352.410 3.368 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000477143444 502690344 /nfs/dbraw/zinc/69/03/44/502690344.db2.gz XFBPPFKKWBOCEH-OAHLLOKOSA-N 1 1 374.485 3.175 20 5 FGBDMO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)[nH]1 ZINC000488483611 502728107 /nfs/dbraw/zinc/72/81/07/502728107.db2.gz JCSUSOJNXRGGFU-RWMBFGLXSA-N 1 1 374.445 3.294 20 5 FGBDMO C[C@H]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000467043519 502769435 /nfs/dbraw/zinc/76/94/35/502769435.db2.gz DRSAMBVOJPNJBU-GUYCJALGSA-N 1 1 357.385 3.127 20 5 FGBDMO COc1cc(C[N@@H+](C)CC[C@H]2CCCO2)c([N+](=O)[O-])cc1OCC(F)F ZINC000467146916 502802786 /nfs/dbraw/zinc/80/27/86/502802786.db2.gz HRWBJZDUOIAKMW-CYBMUJFWSA-N 1 1 374.384 3.248 20 5 FGBDMO C[C@@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000488761443 502805246 /nfs/dbraw/zinc/80/52/46/502805246.db2.gz GLZJLVLMRCMDLG-NSHDSACASA-N 1 1 358.364 3.319 20 5 FGBDMO O=C1CCc2cc([N+](=O)[O-])c(NC[C@H]3CC[N@H+]3C3CCCCC3)cc2N1 ZINC000599128022 506335533 /nfs/dbraw/zinc/33/55/33/506335533.db2.gz VQXJXHLDYSJFSR-OAHLLOKOSA-N 1 1 358.442 3.298 20 5 FGBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000513002812 502829143 /nfs/dbraw/zinc/82/91/43/502829143.db2.gz CSNNSBLILAZFAT-FQEVSTJZSA-N 1 1 367.449 3.260 20 5 FGBDMO O=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000513102013 502852231 /nfs/dbraw/zinc/85/22/31/502852231.db2.gz VZROEQCRIIKIPW-GOSISDBHSA-N 1 1 353.422 3.379 20 5 FGBDMO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000513102013 502852234 /nfs/dbraw/zinc/85/22/34/502852234.db2.gz VZROEQCRIIKIPW-GOSISDBHSA-N 1 1 353.422 3.379 20 5 FGBDMO Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000513302252 502899981 /nfs/dbraw/zinc/89/99/81/502899981.db2.gz TWKONRHSJLHVQO-GOSISDBHSA-N 1 1 353.422 3.298 20 5 FGBDMO CCc1ccc([C@@H]2CN(C(=O)CCc3cccc([N+](=O)[O-])c3)CC[NH2+]2)cc1 ZINC000505559435 502935506 /nfs/dbraw/zinc/93/55/06/502935506.db2.gz VICSZQODWPLGHU-FQEVSTJZSA-N 1 1 367.449 3.263 20 5 FGBDMO CC(C)[N@H+](Cc1cccc(F)c1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000513515228 502957079 /nfs/dbraw/zinc/95/70/79/502957079.db2.gz NDULEEZOLJBLJZ-GOSISDBHSA-N 1 1 362.401 3.384 20 5 FGBDMO CC[N@@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])[C@H]1CCOC(C)(C)C1 ZINC000593029867 506345963 /nfs/dbraw/zinc/34/59/63/506345963.db2.gz VCZNQYDKMOXCLS-HNNXBMFYSA-N 1 1 350.415 3.161 20 5 FGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505862623 503000496 /nfs/dbraw/zinc/00/04/96/503000496.db2.gz MUAVPEBXENQYCO-JKSUJKDBSA-N 1 1 369.421 3.323 20 5 FGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505862623 503000500 /nfs/dbraw/zinc/00/05/00/503000500.db2.gz MUAVPEBXENQYCO-JKSUJKDBSA-N 1 1 369.421 3.323 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000505906519 503010803 /nfs/dbraw/zinc/01/08/03/503010803.db2.gz OTWVYNBDNAXKSU-CABCVRRESA-N 1 1 363.433 3.461 20 5 FGBDMO Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000510520553 503132401 /nfs/dbraw/zinc/13/24/01/503132401.db2.gz ASOJTQAVVYWIKK-UHFFFAOYSA-N 1 1 371.485 3.485 20 5 FGBDMO COc1ccc(C[N@@H+](CCO)C(C)C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000506787182 503172630 /nfs/dbraw/zinc/17/26/30/503172630.db2.gz AIYYSQLAUVIEPO-UHFFFAOYSA-N 1 1 374.437 3.385 20 5 FGBDMO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511080551 503248797 /nfs/dbraw/zinc/24/87/97/503248797.db2.gz JLTGQOGWOKVKTM-GFCCVEGCSA-N 1 1 363.364 3.375 20 5 FGBDMO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511080551 503248801 /nfs/dbraw/zinc/24/88/01/503248801.db2.gz JLTGQOGWOKVKTM-GFCCVEGCSA-N 1 1 363.364 3.375 20 5 FGBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](c3ccccc3C)C2)c([N+](=O)[O-])c1 ZINC000507203450 503249082 /nfs/dbraw/zinc/24/90/82/503249082.db2.gz JDUUPYYPOJRDHK-OAHLLOKOSA-N 1 1 369.421 3.340 20 5 FGBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](c3ccccc3C)C2)c([N+](=O)[O-])c1 ZINC000507203450 503249087 /nfs/dbraw/zinc/24/90/87/503249087.db2.gz JDUUPYYPOJRDHK-OAHLLOKOSA-N 1 1 369.421 3.340 20 5 FGBDMO C[C@@H](CNC(=O)[C@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000511141260 503267367 /nfs/dbraw/zinc/26/73/67/503267367.db2.gz VGITZCZOYJYETK-IRXDYDNUSA-N 1 1 369.465 3.378 20 5 FGBDMO 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ZINC000499421984 503399877 /nfs/dbraw/zinc/39/98/77/503399877.db2.gz LDHWADWXJQPGPT-SJORKVTESA-N 1 1 367.449 3.259 20 5 FGBDMO CCOCCC[N@H+]1CC[C@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])[C@H](C)C1 ZINC000516193215 503467091 /nfs/dbraw/zinc/46/70/91/503467091.db2.gz IAGJKJVYTLLJGD-MNEFBYGVSA-N 1 1 361.486 3.309 20 5 FGBDMO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000494010662 503474698 /nfs/dbraw/zinc/47/46/98/503474698.db2.gz GCANNJFTBYDYCJ-DJSBCALVSA-N 1 1 365.433 3.283 20 5 FGBDMO CCc1cc(OC)ccc1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000503871804 503480673 /nfs/dbraw/zinc/48/06/73/503480673.db2.gz LARAALZYVHPMGK-MRXNPFEDSA-N 1 1 356.426 3.247 20 5 FGBDMO COc1ccc(NC(=O)CC[N@@H+](Cc2ccccn2)C(C)C)c([N+](=O)[O-])c1 ZINC000516255254 503483752 /nfs/dbraw/zinc/48/37/52/503483752.db2.gz UQLGFLSLHAMEBN-UHFFFAOYSA-N 1 1 372.425 3.238 20 5 FGBDMO CC[N@@H+](CCNC(=O)Nc1cc([N+](=O)[O-])ccc1C)CCC(F)(F)F ZINC000494134352 503493082 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ZINC000541281193 504073266 /nfs/dbraw/zinc/07/32/66/504073266.db2.gz NCSCEKNFFGNKTK-IBGZPJMESA-N 1 1 374.462 3.378 20 5 FGBDMO C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCc2ccccc21 ZINC000541281193 504073270 /nfs/dbraw/zinc/07/32/70/504073270.db2.gz NCSCEKNFFGNKTK-IBGZPJMESA-N 1 1 374.462 3.378 20 5 FGBDMO CCOc1cccc(NC[C@H](CC(C)C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000544353971 504100070 /nfs/dbraw/zinc/10/00/70/504100070.db2.gz REHBGPPYCZNBKR-HNNXBMFYSA-N 1 1 351.447 3.152 20 5 FGBDMO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000544766317 504250842 /nfs/dbraw/zinc/25/08/42/504250842.db2.gz OQBWLDGJKLOLHR-GOSISDBHSA-N 1 1 353.422 3.331 20 5 FGBDMO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000544766317 504250844 /nfs/dbraw/zinc/25/08/44/504250844.db2.gz OQBWLDGJKLOLHR-GOSISDBHSA-N 1 1 353.422 3.331 20 5 FGBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000519560608 504252625 /nfs/dbraw/zinc/25/26/25/504252625.db2.gz SIXOUWSIXFMWBH-UHFFFAOYSA-N 1 1 357.458 3.220 20 5 FGBDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1(C)C ZINC000538719316 504341728 /nfs/dbraw/zinc/34/17/28/504341728.db2.gz ANATZEPHDDXSQN-IRXDYDNUSA-N 1 1 352.431 3.247 20 5 FGBDMO CC[NH+](CC)CCO[C@H]1CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000542120034 504370861 /nfs/dbraw/zinc/37/08/61/504370861.db2.gz OGYPEGZXTMRSMV-KRWDZBQOSA-N 1 1 372.469 3.389 20 5 FGBDMO CCc1cc(NC[C@H]2CC[N@H+](C(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000520064587 504406154 /nfs/dbraw/zinc/40/61/54/504406154.db2.gz QLMDOWFBAILAQY-OAHLLOKOSA-N 1 1 369.469 3.178 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc2c(cc1OC)C[C@H](C)O2 ZINC000542313818 504447078 /nfs/dbraw/zinc/44/70/78/504447078.db2.gz DWYFWGZTRXGFCN-LBPRGKRZSA-N 1 1 358.394 3.225 20 5 FGBDMO Cc1cccc([C@@H]2CC[N@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)c1 ZINC000542318794 504449461 /nfs/dbraw/zinc/44/94/61/504449461.db2.gz FNMFBIGAPBHKHS-XLIONFOSSA-N 1 1 365.433 3.498 20 5 FGBDMO Cc1cccc([C@H]2CC[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)c1 ZINC000542322349 504450528 /nfs/dbraw/zinc/45/05/28/504450528.db2.gz ULDPWNZICYSKLP-ROUUACIJSA-N 1 1 356.422 3.132 20 5 FGBDMO C[C@@]1(CCc2ccccc2)CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000535583524 504477521 /nfs/dbraw/zinc/47/75/21/504477521.db2.gz ULRDRYPHYQDCIO-HXUWFJFHSA-N 1 1 355.438 3.101 20 5 FGBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000520442359 504500464 /nfs/dbraw/zinc/50/04/64/504500464.db2.gz ZMHWKKKIXRWVQD-AWEZNQCLSA-N 1 1 351.422 3.002 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C/C=C\c3ccc(F)cc3F)C2)nc1 ZINC000542702808 504581387 /nfs/dbraw/zinc/58/13/87/504581387.db2.gz VANAWVUFDYPGNB-OYADATRGSA-N 1 1 360.364 3.468 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C/C=C\c3ccc(F)cc3F)C2)nc1 ZINC000542702808 504581390 /nfs/dbraw/zinc/58/13/90/504581390.db2.gz VANAWVUFDYPGNB-OYADATRGSA-N 1 1 360.364 3.468 20 5 FGBDMO COCC[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000536034215 504613025 /nfs/dbraw/zinc/61/30/25/504613025.db2.gz BLATXJIVAASRMS-WMZOPIPTSA-N 1 1 356.426 3.254 20 5 FGBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000545854754 504616663 /nfs/dbraw/zinc/61/66/63/504616663.db2.gz TUUVPFVBEFYZAV-AWEZNQCLSA-N 1 1 365.449 3.392 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+]3CCC[C@H]([C@H](C)O)C3)o2)c([N+](=O)[O-])c1 ZINC000542820195 504624235 /nfs/dbraw/zinc/62/42/35/504624235.db2.gz MUYXKOVDFJEVEW-KBPBESRZSA-N 1 1 360.410 3.456 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000548928837 504624315 /nfs/dbraw/zinc/62/43/15/504624315.db2.gz XUBOBIUQFQJQMO-LBPRGKRZSA-N 1 1 363.364 3.375 20 5 FGBDMO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000548928837 504624319 /nfs/dbraw/zinc/62/43/19/504624319.db2.gz XUBOBIUQFQJQMO-LBPRGKRZSA-N 1 1 363.364 3.375 20 5 FGBDMO Cc1ccccc1CN(C)C(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000548935628 504628374 /nfs/dbraw/zinc/62/83/74/504628374.db2.gz PYOJDSXBTVAHCB-UHFFFAOYSA-N 1 1 355.438 3.036 20 5 FGBDMO Cc1ccccc1CN(C)C(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000548935628 504628380 /nfs/dbraw/zinc/62/83/80/504628380.db2.gz PYOJDSXBTVAHCB-UHFFFAOYSA-N 1 1 355.438 3.036 20 5 FGBDMO COc1cc(C[N@@H+](C)[C@H]2C[C@](C)(OC)C2(C)C)c([N+](=O)[O-])cc1OC ZINC000539823038 504704803 /nfs/dbraw/zinc/70/48/03/504704803.db2.gz ZCKVPMSEKNZXPF-WMZOPIPTSA-N 1 1 352.431 3.247 20 5 FGBDMO Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000549173654 504712951 /nfs/dbraw/zinc/71/29/51/504712951.db2.gz UCSWDNNKUTZOEA-KRWDZBQOSA-N 1 1 369.465 3.425 20 5 FGBDMO Cn1cccc1[C@H]1CCC[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000532625493 504714933 /nfs/dbraw/zinc/71/49/33/504714933.db2.gz YUFKHDMSYGBEJY-MRXNPFEDSA-N 1 1 370.409 3.068 20 5 FGBDMO C[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]2CCCC[C@@H]12 ZINC000543139226 504739046 /nfs/dbraw/zinc/73/90/46/504739046.db2.gz BZZCWOOSXKMZEJ-FHLIZLRMSA-N 1 1 366.483 3.269 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(SCC[N@@H+](C)Cc2ccccc2)n1 ZINC000553231066 504858394 /nfs/dbraw/zinc/85/83/94/504858394.db2.gz QLNIMZSAMDNHGF-UHFFFAOYSA-N 1 1 361.423 3.001 20 5 FGBDMO Cc1ccccc1[C@@H](C)[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000559451060 504866872 /nfs/dbraw/zinc/86/68/72/504866872.db2.gz ZZCNMVRZXHHYCW-MRXNPFEDSA-N 1 1 353.422 3.422 20 5 FGBDMO Cc1ccccc1C[C@H](C)[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000562585620 504868604 /nfs/dbraw/zinc/86/86/04/504868604.db2.gz SYHPJMZCWFNFSK-FUHWJXTLSA-N 1 1 358.438 3.206 20 5 FGBDMO C[C@@H](CNc1ncnc2sc([N+](=O)[O-])cc21)[N@H+]1CCc2ccccc2C1 ZINC000553311958 504879746 /nfs/dbraw/zinc/87/97/46/504879746.db2.gz QBUIZTYSSQTVCX-LBPRGKRZSA-N 1 1 369.450 3.458 20 5 FGBDMO CCN(Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000549939067 504940485 /nfs/dbraw/zinc/94/04/85/504940485.db2.gz UHVFGDQAJSWAHQ-GOSISDBHSA-N 1 1 355.438 3.397 20 5 FGBDMO CCN(Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000549939067 504940489 /nfs/dbraw/zinc/94/04/89/504940489.db2.gz UHVFGDQAJSWAHQ-GOSISDBHSA-N 1 1 355.438 3.397 20 5 FGBDMO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCn1cc(Br)cn1 ZINC000566395408 505163475 /nfs/dbraw/zinc/16/34/75/505163475.db2.gz GQQNBNQGSSCXIG-GQCTYLIASA-N 1 1 365.231 3.199 20 5 FGBDMO C[C@@H]1Cc2ccccc2N1C(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000554845593 505279071 /nfs/dbraw/zinc/27/90/71/505279071.db2.gz BZKUHGIWHYPLRC-OAHLLOKOSA-N 1 1 353.422 3.047 20 5 FGBDMO C[C@@H]1Cc2ccccc2N1C(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000554845593 505279077 /nfs/dbraw/zinc/27/90/77/505279077.db2.gz BZKUHGIWHYPLRC-OAHLLOKOSA-N 1 1 353.422 3.047 20 5 FGBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000554847362 505280199 /nfs/dbraw/zinc/28/01/99/505280199.db2.gz BKLXETFSUHXZCE-IBGZPJMESA-N 1 1 371.412 3.228 20 5 FGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000554847362 505280203 /nfs/dbraw/zinc/28/02/03/505280203.db2.gz BKLXETFSUHXZCE-IBGZPJMESA-N 1 1 371.412 3.228 20 5 FGBDMO C[N@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1Cc1ccccc1 ZINC000551711505 505289525 /nfs/dbraw/zinc/28/95/25/505289525.db2.gz ALNUJJUHUOFVPK-KRWDZBQOSA-N 1 1 366.421 3.095 20 5 FGBDMO CCC[N@@H+](CC)C[C@H](C)N[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000555005415 505326638 /nfs/dbraw/zinc/32/66/38/505326638.db2.gz NSGIWATYQWREQF-MAUKXSAKSA-N 1 1 359.474 3.128 20 5 FGBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000552049085 505381696 /nfs/dbraw/zinc/38/16/96/505381696.db2.gz KYFYRUCSSBKOTN-FCEWJHQRSA-N 1 1 371.485 3.270 20 5 FGBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000558581215 505430332 /nfs/dbraw/zinc/43/03/32/505430332.db2.gz HSUHIGKHTDLPST-CHWSQXEVSA-N 1 1 371.865 3.252 20 5 FGBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)C1 ZINC000561763286 505430875 /nfs/dbraw/zinc/43/08/75/505430875.db2.gz ZAGDLWWFPSQUQK-MKBNYLNASA-N 1 1 351.834 3.051 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H](c2ccco2)c2ccccc2)c1 ZINC000561839084 505447196 /nfs/dbraw/zinc/44/71/96/505447196.db2.gz KWAGLEAGULVCGO-FXAWDEMLSA-N 1 1 368.389 3.307 20 5 FGBDMO CC[C@@H](c1ccccc1OC)[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567418070 505456530 /nfs/dbraw/zinc/45/65/30/505456530.db2.gz IXNIPLOFGLEZCV-RDJZCZTQSA-N 1 1 374.437 3.426 20 5 FGBDMO CCC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000564598167 505465431 /nfs/dbraw/zinc/46/54/31/505465431.db2.gz RHZLQQWDCYWVSJ-MRXNPFEDSA-N 1 1 356.426 3.050 20 5 FGBDMO COC(=O)[C@@H](C)Oc1ccc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000561968656 505481529 /nfs/dbraw/zinc/48/15/29/505481529.db2.gz DKGIIKXQQUYOTK-OAHLLOKOSA-N 1 1 372.421 3.210 20 5 FGBDMO Cc1ccc(C[N@H+](Cc2ccccc2)C[C@]2(O)CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000561982365 505484485 /nfs/dbraw/zinc/48/44/85/505484485.db2.gz NIHIPBLJJFHKMW-DYESRHJHSA-N 1 1 370.449 3.445 20 5 FGBDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000552737054 505546104 /nfs/dbraw/zinc/54/61/04/505546104.db2.gz XIBCLCOBZLJGJM-UHFFFAOYSA-N 1 1 365.817 3.435 20 5 FGBDMO C[N@@H+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000552804740 505557868 /nfs/dbraw/zinc/55/78/68/505557868.db2.gz NOITWEJJIIRJNR-INIZCTEOSA-N 1 1 373.840 3.247 20 5 FGBDMO C[N@H+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000552804740 505557870 /nfs/dbraw/zinc/55/78/70/505557870.db2.gz NOITWEJJIIRJNR-INIZCTEOSA-N 1 1 373.840 3.247 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c([N+](=O)[O-])cc1OC ZINC000564986268 505565404 /nfs/dbraw/zinc/56/54/04/505565404.db2.gz PPTCLGJXWUYPJB-UKRRQHHQSA-N 1 1 350.415 3.003 20 5 FGBDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000596471542 506423613 /nfs/dbraw/zinc/42/36/13/506423613.db2.gz XDXDOTQZQHXVKO-IBGZPJMESA-N 1 1 368.437 3.376 20 5 FGBDMO O=C1CCc2cc([N+](=O)[O-])c(N[C@H]3CC[N@H+](C4CCCCC4)C3)cc2N1 ZINC000596480435 506427019 /nfs/dbraw/zinc/42/70/19/506427019.db2.gz ZFCAIZASQKGENY-AWEZNQCLSA-N 1 1 358.442 3.298 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000612101897 506434531 /nfs/dbraw/zinc/43/45/31/506434531.db2.gz VVEVSCYODWHJFL-IXDOHACOSA-N 1 1 355.442 3.041 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1[C@H](C)C[N@@H+](C)[C@H](C)[C@H]1C ZINC000593188188 506452796 /nfs/dbraw/zinc/45/27/96/506452796.db2.gz YFEJPRFTBQXVLI-SYQHCUMBSA-N 1 1 351.472 3.015 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1[C@H](C)C[N@H+](C)[C@H](C)[C@H]1C ZINC000593188188 506452791 /nfs/dbraw/zinc/45/27/91/506452791.db2.gz YFEJPRFTBQXVLI-SYQHCUMBSA-N 1 1 351.472 3.015 20 5 FGBDMO C[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599586894 506512366 /nfs/dbraw/zinc/51/23/66/506512366.db2.gz KCIWZXVDZSUCQL-WMLDXEAASA-N 1 1 364.442 3.273 20 5 FGBDMO COc1cccc2c1C[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C2 ZINC000599643056 506548118 /nfs/dbraw/zinc/54/81/18/506548118.db2.gz HLBZRZHEFXOIAX-UHFFFAOYSA-N 1 1 355.394 3.256 20 5 FGBDMO COc1cccc2c1C[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C2 ZINC000599643056 506548127 /nfs/dbraw/zinc/54/81/27/506548127.db2.gz HLBZRZHEFXOIAX-UHFFFAOYSA-N 1 1 355.394 3.256 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2CCc2ccccc2)c1 ZINC000603840479 506630143 /nfs/dbraw/zinc/63/01/43/506630143.db2.gz HHKAUBWHHHFRAY-UYAOXDASSA-N 1 1 370.449 3.432 20 5 FGBDMO CCN1C[C@@H](C[N@@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)Oc2ccccc21 ZINC000603845381 506632757 /nfs/dbraw/zinc/63/27/57/506632757.db2.gz QTOLECNUCLUXRY-MRXNPFEDSA-N 1 1 371.437 3.323 20 5 FGBDMO Cc1cccc2[nH]c(C[NH+]3CCN(c4ccc([N+](=O)[O-])nc4)CC3)cc21 ZINC000596979298 506709235 /nfs/dbraw/zinc/70/92/35/506709235.db2.gz JXABTPGBSVKMKR-UHFFFAOYSA-N 1 1 351.410 3.102 20 5 FGBDMO C[N@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000604197933 506746832 /nfs/dbraw/zinc/74/68/32/506746832.db2.gz BVMGUVJQUWNDJP-CQSZACIVSA-N 1 1 355.394 3.211 20 5 FGBDMO COC(=O)C[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000609193875 506808982 /nfs/dbraw/zinc/80/89/82/506808982.db2.gz UNLSKNNYONASBP-OAHLLOKOSA-N 1 1 350.415 3.300 20 5 FGBDMO COC(=O)C[C@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000609193875 506808987 /nfs/dbraw/zinc/80/89/87/506808987.db2.gz UNLSKNNYONASBP-OAHLLOKOSA-N 1 1 350.415 3.300 20 5 FGBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC000590446577 506826773 /nfs/dbraw/zinc/82/67/73/506826773.db2.gz UTQMJFQPMZMWHI-KSSFIOAISA-N 1 1 367.405 3.163 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c([N+](=O)[O-])cc1OC ZINC000597226686 506846131 /nfs/dbraw/zinc/84/61/31/506846131.db2.gz VYYYWNWTNIRVIV-PBHICJAKSA-N 1 1 364.442 3.393 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+]3CC[C@H]4COC[C@@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000597232372 506850224 /nfs/dbraw/zinc/85/02/24/506850224.db2.gz UIPINGAZPDKKHB-KBPBESRZSA-N 1 1 358.394 3.332 20 5 FGBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000604519520 506859163 /nfs/dbraw/zinc/85/91/63/506859163.db2.gz GOBIXSGDSDFCSU-ZBFHGGJFSA-N 1 1 372.450 3.075 20 5 FGBDMO CSc1cccc(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000600230607 506861188 /nfs/dbraw/zinc/86/11/88/506861188.db2.gz WFPKATIYXQNWFE-AWEZNQCLSA-N 1 1 363.483 3.454 20 5 FGBDMO O=C(CSc1ccccc1[N+](=O)[O-])NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000600229128 506861310 /nfs/dbraw/zinc/86/13/10/506861310.db2.gz PVVRVXFOHWQGKW-HNNXBMFYSA-N 1 1 363.483 3.210 20 5 FGBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000600230415 506861729 /nfs/dbraw/zinc/86/17/29/506861729.db2.gz SKKGJIOSFNGOKJ-AWEZNQCLSA-N 1 1 356.426 3.213 20 5 FGBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000604537879 506867190 /nfs/dbraw/zinc/86/71/90/506867190.db2.gz MDUUPIUMPHOGTB-MRXNPFEDSA-N 1 1 365.499 3.458 20 5 FGBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000609489260 506898199 /nfs/dbraw/zinc/89/81/99/506898199.db2.gz FBCLZLLCDQDZRV-AWEZNQCLSA-N 1 1 363.458 3.234 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](c3ccco3)C2)c([N+](=O)[O-])c1 ZINC000609540437 506914073 /nfs/dbraw/zinc/91/40/73/506914073.db2.gz XSIHYZUWYVVQCU-CYBMUJFWSA-N 1 1 359.382 3.015 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](c3ccco3)C2)c([N+](=O)[O-])c1 ZINC000609540437 506914081 /nfs/dbraw/zinc/91/40/81/506914081.db2.gz XSIHYZUWYVVQCU-CYBMUJFWSA-N 1 1 359.382 3.015 20 5 FGBDMO CC(C)Oc1cc(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000594194906 506999433 /nfs/dbraw/zinc/99/94/33/506999433.db2.gz AJMYIUSRPYIILZ-CVEARBPZSA-N 1 1 361.442 3.129 20 5 FGBDMO CC(C)Oc1cc(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000594194908 506999704 /nfs/dbraw/zinc/99/97/04/506999704.db2.gz AJMYIUSRPYIILZ-HZPDHXFCSA-N 1 1 361.442 3.129 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCS[C@@H](c3ccccc3)C2)c1 ZINC000609800758 507007560 /nfs/dbraw/zinc/00/75/60/507007560.db2.gz RQPZRDWEFNDFRJ-PKOBYXMFSA-N 1 1 374.462 3.125 20 5 FGBDMO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000609916221 507048404 /nfs/dbraw/zinc/04/84/04/507048404.db2.gz FMZZIYIZHKEKBI-IDHHARJASA-N 1 1 374.412 3.352 20 5 FGBDMO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2ccccc2OC2CC2)CC1 ZINC000583924391 507053666 /nfs/dbraw/zinc/05/36/66/507053666.db2.gz SXZZNQZQYSMHIT-UHFFFAOYSA-N 1 1 353.422 3.458 20 5 FGBDMO C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cn2C)CC[N@H+]1Cc1ccccc1 ZINC000609977961 507059552 /nfs/dbraw/zinc/05/95/52/507059552.db2.gz KLBWJUDDVZDNDF-RDJZCZTQSA-N 1 1 370.453 3.058 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c([N+](=O)[O-])cc1F ZINC000613383406 507061486 /nfs/dbraw/zinc/06/14/86/507061486.db2.gz NLGDXXVRWKAXSJ-KBPBESRZSA-N 1 1 352.406 3.381 20 5 FGBDMO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000609997596 507066036 /nfs/dbraw/zinc/06/60/36/507066036.db2.gz SZBRRBDPSBNQSB-UHFFFAOYSA-N 1 1 357.410 3.432 20 5 FGBDMO CC(C)(NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000594363005 507094319 /nfs/dbraw/zinc/09/43/19/507094319.db2.gz DRVNIOZZEKAPSQ-QGZVFWFLSA-N 1 1 367.449 3.468 20 5 FGBDMO Cc1ccc(Sc2ccc(CNC[C@@H]3COCC[NH2+]3)cc2[N+](=O)[O-])cc1 ZINC000600777616 507116936 /nfs/dbraw/zinc/11/69/36/507116936.db2.gz VHKRHALSFJELHP-MRXNPFEDSA-N 1 1 373.478 3.132 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000597856017 507135603 /nfs/dbraw/zinc/13/56/03/507135603.db2.gz UZDVUFICPWZDAV-GFCCVEGCSA-N 1 1 351.472 3.167 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597858737 507137037 /nfs/dbraw/zinc/13/70/37/507137037.db2.gz OHEKBMHFVYVIFI-AWEZNQCLSA-N 1 1 374.466 3.321 20 5 FGBDMO COC[C@@H](CC(C)(C)C)[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000594520222 507168894 /nfs/dbraw/zinc/16/88/94/507168894.db2.gz IYFAUHNKAWBTOM-NVXWUHKLSA-N 1 1 360.458 3.459 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597920921 507174370 /nfs/dbraw/zinc/17/43/70/507174370.db2.gz CULVLTXHGRJSDM-GFCCVEGCSA-N 1 1 351.472 3.309 20 5 FGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597925466 507178025 /nfs/dbraw/zinc/17/80/25/507178025.db2.gz PXRJYXXYIGDVFK-OLZOCXBDSA-N 1 1 351.472 3.064 20 5 FGBDMO CC(C)NC(=O)c1ccc(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000594603317 507205504 /nfs/dbraw/zinc/20/55/04/507205504.db2.gz UCKVHLLPVXSDLO-NVXWUHKLSA-N 1 1 360.458 3.162 20 5 FGBDMO CCN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CC[N@@H+](CC)C1 ZINC000598042257 507230412 /nfs/dbraw/zinc/23/04/12/507230412.db2.gz WQIBWBPCVGBWRH-ZDUSSCGKSA-N 1 1 359.348 3.170 20 5 FGBDMO Cc1cc(C(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000598194816 507305995 /nfs/dbraw/zinc/30/59/95/507305995.db2.gz IZTBCSPEQKKPEG-IBGZPJMESA-N 1 1 367.449 3.292 20 5 FGBDMO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000598218990 507323585 /nfs/dbraw/zinc/32/35/85/507323585.db2.gz KGZVXBCOPAVCJU-MRXNPFEDSA-N 1 1 370.453 3.073 20 5 FGBDMO C[C@@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000595048648 507368492 /nfs/dbraw/zinc/36/84/92/507368492.db2.gz KTPFPSOETVHVIK-KBXCAEBGSA-N 1 1 351.410 3.206 20 5 FGBDMO O=C(NCc1ccccc1)C1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595290619 507448914 /nfs/dbraw/zinc/44/89/14/507448914.db2.gz XHCAIQNJRWOLSC-UHFFFAOYSA-N 1 1 371.412 3.262 20 5 FGBDMO CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])CC1CCN(c2ccccn2)CC1 ZINC000595332872 507461934 /nfs/dbraw/zinc/46/19/34/507461934.db2.gz GUCJTZPUIFCGOV-UHFFFAOYSA-N 1 1 359.430 3.025 20 5 FGBDMO O=C(Nc1ccc(O)cc1)C1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595360677 507471405 /nfs/dbraw/zinc/47/14/05/507471405.db2.gz CNXNLQQSPSQNOG-UHFFFAOYSA-N 1 1 373.384 3.290 20 5 FGBDMO CC[N@H+](C)[C@@H](c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1)c1ccccc1 ZINC000584745717 507481461 /nfs/dbraw/zinc/48/14/61/507481461.db2.gz QJTOURZEQHXUHY-MRXNPFEDSA-N 1 1 353.382 3.268 20 5 FGBDMO CC[N@@H+](C)[C@@H](c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1)c1ccccc1 ZINC000584745717 507481470 /nfs/dbraw/zinc/48/14/70/507481470.db2.gz QJTOURZEQHXUHY-MRXNPFEDSA-N 1 1 353.382 3.268 20 5 FGBDMO COc1cc(C[N@@H+]2CC(C)(C)CC[C@H]2CO)c([N+](=O)[O-])cc1OC(F)F ZINC000598647940 507533091 /nfs/dbraw/zinc/53/30/91/507533091.db2.gz NIPDVNLKGJJYKD-LBPRGKRZSA-N 1 1 374.384 3.188 20 5 FGBDMO COc1cc(C[N@H+]2CC(C)(C)CC[C@H]2CO)c([N+](=O)[O-])cc1OC(F)F ZINC000598647940 507533097 /nfs/dbraw/zinc/53/30/97/507533097.db2.gz NIPDVNLKGJJYKD-LBPRGKRZSA-N 1 1 374.384 3.188 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@H](n4ccnc4)C3)co2)cc1 ZINC000611170676 507543936 /nfs/dbraw/zinc/54/39/36/507543936.db2.gz WKIMLAJHHITHJW-QGZVFWFLSA-N 1 1 353.382 3.283 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@@H](n4ccnc4)C3)co2)cc1 ZINC000611170676 507543940 /nfs/dbraw/zinc/54/39/40/507543940.db2.gz WKIMLAJHHITHJW-QGZVFWFLSA-N 1 1 353.382 3.283 20 5 FGBDMO CCCC(=O)NC1CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000611170039 507544589 /nfs/dbraw/zinc/54/45/89/507544589.db2.gz VCBLGHZPRHCFMA-UHFFFAOYSA-N 1 1 372.425 3.131 20 5 FGBDMO CCSc1cc(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)ccn1 ZINC000614584073 507573263 /nfs/dbraw/zinc/57/32/63/507573263.db2.gz XOSUUFWCNZQZCG-UHFFFAOYSA-N 1 1 361.423 3.163 20 5 FGBDMO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H](CO)Cc1ccccc1 ZINC000595593200 507579671 /nfs/dbraw/zinc/57/96/71/507579671.db2.gz SCPVRAPGTXCEMA-IBGZPJMESA-N 1 1 367.405 3.285 20 5 FGBDMO C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@@H]1OCCc2ccccc21 ZINC000611264891 507590361 /nfs/dbraw/zinc/59/03/61/507590361.db2.gz YMMFIZFSXNSAQR-FQEVSTJZSA-N 1 1 370.405 3.112 20 5 FGBDMO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@@H]1OCCc2ccccc21 ZINC000611264891 507590365 /nfs/dbraw/zinc/59/03/65/507590365.db2.gz YMMFIZFSXNSAQR-FQEVSTJZSA-N 1 1 370.405 3.112 20 5 FGBDMO O=C1[C@H]([NH+]2CCC(c3ccco3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595614817 507592349 /nfs/dbraw/zinc/59/23/49/507592349.db2.gz IRSRRSGPXBMMOK-QGZVFWFLSA-N 1 1 355.394 3.173 20 5 FGBDMO CCC[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@H]1CCCCO1 ZINC000611268901 507594019 /nfs/dbraw/zinc/59/40/19/507594019.db2.gz BCPXADKEKJQWQL-OAHLLOKOSA-N 1 1 350.415 3.147 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@H]([C@H]4CCCCO4)C3)o2)cc1 ZINC000595791893 507688573 /nfs/dbraw/zinc/68/85/73/507688573.db2.gz XWQVDTYXLPYOFL-DOTOQJQBSA-N 1 1 372.425 3.426 20 5 FGBDMO O=C(NCc1ccccc1)[C@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000592523140 507693692 /nfs/dbraw/zinc/69/36/92/507693692.db2.gz KAXRTIXTMQCGQP-SMTIMMHKSA-N 1 1 365.433 3.246 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC2(CCCC2)OC[C@@H]1C ZINC000595815621 507697851 /nfs/dbraw/zinc/69/78/51/507697851.db2.gz OVNUNFSUVMPGSL-HNNXBMFYSA-N 1 1 361.442 3.265 20 5 FGBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c(F)c1 ZINC000611498027 507708262 /nfs/dbraw/zinc/70/82/62/507708262.db2.gz HCOABHMCUXAFBV-CVEARBPZSA-N 1 1 372.318 3.358 20 5 FGBDMO O=C(NC1CC[NH+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)C1CC1 ZINC000602436518 507711230 /nfs/dbraw/zinc/71/12/30/507711230.db2.gz PMBOSPLQYJNQLZ-UHFFFAOYSA-N 1 1 371.359 3.104 20 5 FGBDMO CCO[C@@H]1CCC[N@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000611517838 507718258 /nfs/dbraw/zinc/71/82/58/507718258.db2.gz WTVGZCRHTNFCLZ-CYBMUJFWSA-N 1 1 374.384 3.248 20 5 FGBDMO CCO[C@@H]1CCC[N@@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000611517838 507718266 /nfs/dbraw/zinc/71/82/66/507718266.db2.gz WTVGZCRHTNFCLZ-CYBMUJFWSA-N 1 1 374.384 3.248 20 5 FGBDMO COc1cccc([C@H](CNCc2nc3cc([N+](=O)[O-])ccc3o2)[NH+](C)C)c1 ZINC000602505859 507730414 /nfs/dbraw/zinc/73/04/14/507730414.db2.gz WGAOPFXKDMLISS-KRWDZBQOSA-N 1 1 370.409 3.137 20 5 FGBDMO CC[N@H+]1CCC[C@H](CNCc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602523758 507737232 /nfs/dbraw/zinc/73/72/32/507737232.db2.gz HCDMTERZDNWJSR-SNVBAGLBSA-N 1 1 362.293 3.240 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]CC1(O)CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000611560950 507740751 /nfs/dbraw/zinc/74/07/51/507740751.db2.gz RDBBMMRDTRZSBA-KRWDZBQOSA-N 1 1 358.442 3.093 20 5 FGBDMO CN(C)c1[nH+]cc(CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)n1C ZINC000536389390 562574533 /nfs/dbraw/zinc/57/45/33/562574533.db2.gz BPWWBNMEZBUYSX-UHFFFAOYSA-N 1 1 352.398 3.068 20 5 FGBDMO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc(-n2cncn2)cc1 ZINC000181890364 568127975 /nfs/dbraw/zinc/12/79/75/568127975.db2.gz BDIZGQCLKJAAAX-GFCCVEGCSA-N 1 1 364.365 3.168 20 5 FGBDMO O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000045869862 695827893 /nfs/dbraw/zinc/82/78/93/695827893.db2.gz WQJBSMRLEWBMPD-SFHVURJKSA-N 1 1 361.829 3.104 20 5 FGBDMO O=[N+]([O-])c1ccc(OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1Cl ZINC000154646451 705043618 /nfs/dbraw/zinc/04/36/18/705043618.db2.gz KOKYYFVBQQXFPG-HNNXBMFYSA-N 1 1 362.813 3.046 20 5 FGBDMO O=C1CCCCN1CC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000173439583 705459004 /nfs/dbraw/zinc/45/90/04/705459004.db2.gz SJIXLEOANRHLAF-UHFFFAOYSA-N 1 1 365.861 3.473 20 5 FGBDMO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@@H](O)c3cccc(Cl)c3)CC2)c1 ZINC000174734761 705516280 /nfs/dbraw/zinc/51/62/80/705516280.db2.gz LMMHCPNZHHENRJ-GOSISDBHSA-N 1 1 361.829 3.104 20 5 FGBDMO Cc1cc(F)cc(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000176760014 705589503 /nfs/dbraw/zinc/58/95/03/705589503.db2.gz WFNWDNDCMLEDRX-AWEZNQCLSA-N 1 1 351.422 3.427 20 5 FGBDMO COc1cc(CN2CCC[N@H+](C3CCCC3)CC2)c([N+](=O)[O-])cc1F ZINC000184219905 705923855 /nfs/dbraw/zinc/92/38/55/705923855.db2.gz BRCAMBAYLSVCGB-UHFFFAOYSA-N 1 1 351.422 3.193 20 5 FGBDMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000195240523 713550220 /nfs/dbraw/zinc/55/02/20/713550220.db2.gz WMYWUYLEWNHZQA-KGLIPLIRSA-N 1 1 351.422 3.251 20 5 FGBDMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000195240523 713550223 /nfs/dbraw/zinc/55/02/23/713550223.db2.gz WMYWUYLEWNHZQA-KGLIPLIRSA-N 1 1 351.422 3.251 20 5 FGBDMO CCOc1cc(C[N@H+]2CCSC3(CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000373802001 713872036 /nfs/dbraw/zinc/87/20/36/713872036.db2.gz VEYFRPICPLQQBW-UHFFFAOYSA-N 1 1 352.456 3.092 20 5 FGBDMO CO[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000374661385 713937824 /nfs/dbraw/zinc/93/78/24/713937824.db2.gz HOJNVUNSERHMOH-WCQYABFASA-N 1 1 355.822 3.076 20 5 FGBDMO CO[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000374661385 713937826 /nfs/dbraw/zinc/93/78/26/713937826.db2.gz HOJNVUNSERHMOH-WCQYABFASA-N 1 1 355.822 3.076 20 5 FGBDMO O=[N+]([O-])c1cc(-c2nc([C@H]3C[N@@H+](C4CCCCC4)CCO3)no2)cs1 ZINC000374845588 713947456 /nfs/dbraw/zinc/94/74/56/713947456.db2.gz ZWHRVWRNXOXAKD-CYBMUJFWSA-N 1 1 364.427 3.412 20 5 FGBDMO O=[N+]([O-])c1cc(-c2nc([C@H]3C[N@H+](C4CCCCC4)CCO3)no2)cs1 ZINC000374845588 713947459 /nfs/dbraw/zinc/94/74/59/713947459.db2.gz ZWHRVWRNXOXAKD-CYBMUJFWSA-N 1 1 364.427 3.412 20 5 FGBDMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000380220502 713976373 /nfs/dbraw/zinc/97/63/73/713976373.db2.gz WFLWLGTVZAHSKK-HNNXBMFYSA-N 1 1 359.813 3.253 20 5 FGBDMO Cn1cc[nH+]c1[C@@H]1CCCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000443955665 714032765 /nfs/dbraw/zinc/03/27/65/714032765.db2.gz AXPLESZKNBEWQS-LLVKDONJSA-N 1 1 365.231 3.475 20 5 FGBDMO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCCC[C@H]1C ZINC000522743253 714203982 /nfs/dbraw/zinc/20/39/82/714203982.db2.gz LCUVAPZRAMKCCW-OLZOCXBDSA-N 1 1 353.850 3.170 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000525396415 714350263 /nfs/dbraw/zinc/35/02/63/714350263.db2.gz VAANHBMYYKYMFV-GXTWGEPZSA-N 1 1 353.850 3.122 20 5 FGBDMO Cn1cc(-c2nc(C[N@H+](C)CCc3cccc([N+](=O)[O-])c3)cs2)cn1 ZINC000619785191 714870664 /nfs/dbraw/zinc/87/06/64/714870664.db2.gz DBPOJJJOLPVXNL-UHFFFAOYSA-N 1 1 357.439 3.126 20 5 FGBDMO Cn1cc(-c2nc(C[N@@H+](C)CCc3cccc([N+](=O)[O-])c3)cs2)cn1 ZINC000619785191 714870669 /nfs/dbraw/zinc/87/06/69/714870669.db2.gz DBPOJJJOLPVXNL-UHFFFAOYSA-N 1 1 357.439 3.126 20 5 FGBDMO C[N@@H+](Cc1c(Br)cccc1[N+](=O)[O-])C[C@@H]1CCCC[C@@H]1O ZINC000779154499 724396353 /nfs/dbraw/zinc/39/63/53/724396353.db2.gz UBVMKSHEFIHWGB-NHYWBVRUSA-N 1 1 357.248 3.340 20 5 FGBDMO C[N@H+](Cc1c(Br)cccc1[N+](=O)[O-])C[C@@H]1CCCC[C@@H]1O ZINC000779154499 724396356 /nfs/dbraw/zinc/39/63/56/724396356.db2.gz UBVMKSHEFIHWGB-NHYWBVRUSA-N 1 1 357.248 3.340 20 5 FGBDMO C[N@@H+](Cc1c(Br)cccc1[N+](=O)[O-])C[C@@H]1CCCC[C@H]1O ZINC000779154500 724396420 /nfs/dbraw/zinc/39/64/20/724396420.db2.gz UBVMKSHEFIHWGB-XHDPSFHLSA-N 1 1 357.248 3.340 20 5 FGBDMO C[N@H+](Cc1c(Br)cccc1[N+](=O)[O-])C[C@@H]1CCCC[C@H]1O ZINC000779154500 724396424 /nfs/dbraw/zinc/39/64/24/724396424.db2.gz UBVMKSHEFIHWGB-XHDPSFHLSA-N 1 1 357.248 3.340 20 5 FGBDMO O=[N+]([O-])c1ccc(C(F)(F)N2CC3(C2)CC[N@@H+](CC2CC2)C3)nc1Cl ZINC001164767178 721284291 /nfs/dbraw/zinc/28/42/91/721284291.db2.gz HMIGPCPHCSBKOQ-UHFFFAOYSA-N 1 1 372.803 3.110 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)cc1Cl ZINC000783653169 724774938 /nfs/dbraw/zinc/77/49/38/724774938.db2.gz NJBQWTWYJFTKNU-QGZVFWFLSA-N 1 1 350.777 3.481 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)cc1Cl ZINC000783653169 724774944 /nfs/dbraw/zinc/77/49/44/724774944.db2.gz NJBQWTWYJFTKNU-QGZVFWFLSA-N 1 1 350.777 3.481 20 5 FGBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cccc([N+](=O)[O-])n3)C[C@H]21 ZINC001165022257 721805131 /nfs/dbraw/zinc/80/51/31/721805131.db2.gz IJWWHGRUFBIZDC-CGTJXYLNSA-N 1 1 367.453 3.122 20 5 FGBDMO C[C@H](CNC(=S)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccccc1 ZINC000731942027 722479699 /nfs/dbraw/zinc/47/96/99/722479699.db2.gz DPHYSACZMFPMHJ-CQSZACIVSA-N 1 1 358.467 3.402 20 5 FGBDMO CC(C)CNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000734834997 722510438 /nfs/dbraw/zinc/51/04/38/722510438.db2.gz GILDJBDQSDBOPS-UHFFFAOYSA-N 1 1 353.850 3.232 20 5 FGBDMO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000752083229 722844347 /nfs/dbraw/zinc/84/43/47/722844347.db2.gz GXDXGBUMJQGDAQ-NEPJUHHUSA-N 1 1 355.460 3.391 20 5 FGBDMO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000752083229 722844350 /nfs/dbraw/zinc/84/43/50/722844350.db2.gz GXDXGBUMJQGDAQ-NEPJUHHUSA-N 1 1 355.460 3.391 20 5 FGBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000761216697 723133863 /nfs/dbraw/zinc/13/38/63/723133863.db2.gz PQESLTDEMXJRKN-HNNXBMFYSA-N 1 1 356.264 3.129 20 5 FGBDMO O=[N+]([O-])c1ccc(Br)c2c1C[N@H+](CC[C@H]1CCOC1)CC2 ZINC000793611951 723454921 /nfs/dbraw/zinc/45/49/21/723454921.db2.gz INFKRYJPRVXODT-NSHDSACASA-N 1 1 355.232 3.142 20 5 FGBDMO O=[N+]([O-])c1ccc(Br)c2c1C[N@@H+](CC[C@H]1CCOC1)CC2 ZINC000793611951 723454922 /nfs/dbraw/zinc/45/49/22/723454922.db2.gz INFKRYJPRVXODT-NSHDSACASA-N 1 1 355.232 3.142 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CC[C@@H](CC(F)(F)F)C3)n2)cc1 ZINC000766094598 723555450 /nfs/dbraw/zinc/55/54/50/723555450.db2.gz YUMSSLRVWOTVSV-NSHDSACASA-N 1 1 355.320 3.085 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CC[C@@H](CC(F)(F)F)C3)n2)cc1 ZINC000766094598 723555453 /nfs/dbraw/zinc/55/54/53/723555453.db2.gz YUMSSLRVWOTVSV-NSHDSACASA-N 1 1 355.320 3.085 20 5 FGBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC000767874439 723637684 /nfs/dbraw/zinc/63/76/84/723637684.db2.gz FSKGUZAVEMBTCZ-CYBMUJFWSA-N 1 1 354.332 3.300 20 5 FGBDMO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1nc(C(F)(F)F)cs1 ZINC000768217277 723650754 /nfs/dbraw/zinc/65/07/54/723650754.db2.gz LMGHUIURWYNVAZ-KWQFWETISA-N 1 1 361.345 3.454 20 5 FGBDMO O=[N+]([O-])c1cccc(Br)c1C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000769427440 723685438 /nfs/dbraw/zinc/68/54/38/723685438.db2.gz LYTHEKKMXUSFGX-UHFFFAOYSA-N 1 1 365.231 3.460 20 5 FGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H](c3cccc(C(F)(F)F)c3)C2)n1 ZINC000784487343 724857884 /nfs/dbraw/zinc/85/78/84/724857884.db2.gz RBHHUHYJGXZKHD-ZDUSSCGKSA-N 1 1 354.332 3.300 20 5 FGBDMO C[C@]1(CCCO)CCC[N@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000809757937 725266091 /nfs/dbraw/zinc/26/60/91/725266091.db2.gz WOPNWZRRDZGVIO-OAHLLOKOSA-N 1 1 357.248 3.484 20 5 FGBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000809966096 725279337 /nfs/dbraw/zinc/27/93/37/725279337.db2.gz UBNSTPNBPSIBLV-NSHDSACASA-N 1 1 370.240 3.405 20 5 FGBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000809966096 725279340 /nfs/dbraw/zinc/27/93/40/725279340.db2.gz UBNSTPNBPSIBLV-NSHDSACASA-N 1 1 370.240 3.405 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000810844847 725330496 /nfs/dbraw/zinc/33/04/96/725330496.db2.gz AWHDBHFPFMVQDO-AEGPPILISA-N 1 1 350.440 3.245 20 5 FGBDMO O=C(O[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000810846132 725330865 /nfs/dbraw/zinc/33/08/65/725330865.db2.gz HSIIVCCLVOYDQZ-VXGBXAGGSA-N 1 1 358.316 3.397 20 5 FGBDMO COC1CC[NH+](CCNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000811487789 725368789 /nfs/dbraw/zinc/36/87/89/725368789.db2.gz WDLBTYAKNRZAAX-UHFFFAOYSA-N 1 1 362.257 3.102 20 5 FGBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC[C@@H]21 ZINC000813486917 726884401 /nfs/dbraw/zinc/88/44/01/726884401.db2.gz CWSFJBBOJLWHGX-HZMBPMFUSA-N 1 1 372.252 3.458 20 5 FGBDMO Cc1nn(C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)c2ncc([N+](=O)[O-])cc12 ZINC000817364495 727243664 /nfs/dbraw/zinc/24/36/64/727243664.db2.gz PDPLFDIXDHCZLS-NSHDSACASA-N 1 1 357.336 3.270 20 5 FGBDMO Cc1nn(C[N@H+]2CCC[C@@H](CC(F)(F)F)C2)c2ncc([N+](=O)[O-])cc12 ZINC000817364495 727243667 /nfs/dbraw/zinc/24/36/67/727243667.db2.gz PDPLFDIXDHCZLS-NSHDSACASA-N 1 1 357.336 3.270 20 5 FGBDMO C[N@H+]1CCCC[C@@H]1CCOC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000818023856 727292675 /nfs/dbraw/zinc/29/26/75/727292675.db2.gz ADIDRYGMPUFFJO-GFCCVEGCSA-N 1 1 371.231 3.389 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000827452121 729430434 /nfs/dbraw/zinc/43/04/34/729430434.db2.gz OYERPZCKHDOUCZ-WBVHZDCISA-N 1 1 359.813 3.423 20 5 FGBDMO Cc1cc(Cl)c(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000827747630 729434159 /nfs/dbraw/zinc/43/41/59/729434159.db2.gz PHOXPZXYQOOOMS-UHFFFAOYSA-N 1 1 351.834 3.257 20 5 FGBDMO C[C@@H](C(=O)OCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc([N+](=O)[O-])cc1F ZINC000835599766 729904716 /nfs/dbraw/zinc/90/47/16/729904716.db2.gz HQDUURCVXIYNDR-RLAWYHOSSA-N 1 1 350.390 3.253 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(C(=O)NCC[N@H+](C)Cc2ccccc2)cc1Cl ZINC000836459364 729956479 /nfs/dbraw/zinc/95/64/79/729956479.db2.gz NCXRZXDUJSGPJU-UHFFFAOYSA-N 1 1 361.829 3.418 20 5 FGBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])C1 ZINC000836728877 729967499 /nfs/dbraw/zinc/96/74/99/729967499.db2.gz KOKPSDNFAYRIMB-ZDUSSCGKSA-N 1 1 353.850 3.361 20 5 FGBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000843767174 730652709 /nfs/dbraw/zinc/65/27/09/730652709.db2.gz AKCKRZPPLJCQBN-BETUJISGSA-N 1 1 351.422 3.140 20 5 FGBDMO CC(C)n1cc(C[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])cn1 ZINC000883288236 737547361 /nfs/dbraw/zinc/54/73/61/737547361.db2.gz WZXUXVLAARYHCX-UHFFFAOYSA-N 1 1 353.220 3.425 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OC[C@H]1CC[N@H+]1C(C)(C)C ZINC000845739122 730890495 /nfs/dbraw/zinc/89/04/95/730890495.db2.gz FLCJRZOMOBXTJG-GXTWGEPZSA-N 1 1 352.456 3.491 20 5 FGBDMO COC(=O)c1nc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])ccc1Cl ZINC000850516427 731367419 /nfs/dbraw/zinc/36/74/19/731367419.db2.gz VJDNIGCWHQYROG-AWEZNQCLSA-N 1 1 361.785 3.207 20 5 FGBDMO C[C@@H]([NH2+][C@@H](C)c1ccns1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000860055257 732442660 /nfs/dbraw/zinc/44/26/60/732442660.db2.gz UBJMSKARLICXBB-DTWKUNHWSA-N 1 1 354.819 3.383 20 5 FGBDMO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1cccc([N+](=O)[O-])c1Cl ZINC000862241832 732795530 /nfs/dbraw/zinc/79/55/30/732795530.db2.gz KWGLLXXAVDCZKI-CYBMUJFWSA-N 1 1 351.834 3.100 20 5 FGBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)c1cccc([N+](=O)[O-])c1Cl ZINC000862629746 732858371 /nfs/dbraw/zinc/85/83/71/732858371.db2.gz QXIBTIWTXPYJSE-CYBMUJFWSA-N 1 1 351.834 3.385 20 5 FGBDMO CC[NH+]1CCN(C[C@H](C)CNc2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000865450647 733203645 /nfs/dbraw/zinc/20/36/45/733203645.db2.gz PGGLLFZBMZTFLD-CYBMUJFWSA-N 1 1 356.417 3.218 20 5 FGBDMO C[C@@H](c1ccsc1)[NH+]1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865679591 733250672 /nfs/dbraw/zinc/25/06/72/733250672.db2.gz ALLFGEQEKLYINC-LBPRGKRZSA-N 1 1 365.430 3.171 20 5 FGBDMO C[C@H]([NH2+]Cc1ccc(C[S@](C)=O)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872071925 735584778 /nfs/dbraw/zinc/58/47/78/735584778.db2.gz ZZOHVGUBRDLHLS-MCFWBGNESA-N 1 1 350.415 3.463 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CCC[C@@]3(CCSC3)C2)o1 ZINC000878690416 736907964 /nfs/dbraw/zinc/90/79/64/736907964.db2.gz VCUNRVBPFLWBLY-QGZVFWFLSA-N 1 1 360.439 3.364 20 5 FGBDMO Cc1csc([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000880009105 737098823 /nfs/dbraw/zinc/09/88/23/737098823.db2.gz ZSLYJIRUIBGANK-OLZOCXBDSA-N 1 1 360.439 3.176 20 5 FGBDMO Cc1csc([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000880009105 737098826 /nfs/dbraw/zinc/09/88/26/737098826.db2.gz ZSLYJIRUIBGANK-OLZOCXBDSA-N 1 1 360.439 3.176 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@H](c4nccs4)C3)n2)c1 ZINC000880314809 737152415 /nfs/dbraw/zinc/15/24/15/737152415.db2.gz SCWIHMXGFGIVJO-LBPRGKRZSA-N 1 1 357.395 3.091 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@H](c4nccs4)C3)n2)c1 ZINC000880314809 737152424 /nfs/dbraw/zinc/15/24/24/737152424.db2.gz SCWIHMXGFGIVJO-LBPRGKRZSA-N 1 1 357.395 3.091 20 5 FGBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000891625299 739922351 /nfs/dbraw/zinc/92/23/51/739922351.db2.gz OTDPCABPQZAEFW-IRXDYDNUSA-N 1 1 352.406 3.439 20 5 FGBDMO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1ncc(Br)cn1 ZINC000903323349 743837734 /nfs/dbraw/zinc/83/77/34/743837734.db2.gz KAQRSLUCUUMXOB-VIFPVBQESA-N 1 1 369.194 3.007 20 5 FGBDMO CC(C)c1[nH+]ccn1CC(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913385467 757505691 /nfs/dbraw/zinc/50/56/91/757505691.db2.gz BSNXSYKFPSJOLJ-UHFFFAOYSA-N 1 1 354.769 3.024 20 5 FGBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000919899115 758486390 /nfs/dbraw/zinc/48/63/90/758486390.db2.gz GDPZEZHBIHACHX-NWDGAFQWSA-N 1 1 354.838 3.490 20 5 FGBDMO Cn1nc2c(c1C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)CCC2 ZINC000922066324 758844518 /nfs/dbraw/zinc/84/45/18/758844518.db2.gz AQHNSEQTQMSJSF-UHFFFAOYSA-N 1 1 354.332 3.126 20 5 FGBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000933268853 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PCWNIJZVLOOJRP-UHFFFAOYSA-N 1 1 374.485 3.141 20 5 FGBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cc(=O)n2ccsc2n1 ZINC000064350402 494116111 /nfs/dbraw/zinc/11/61/11/494116111.db2.gz CMKBQOZGYFYBBL-UHFFFAOYSA-N 1 1 358.423 3.075 20 5 FGBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cc(=O)n2ccsc2n1 ZINC000064350402 494116115 /nfs/dbraw/zinc/11/61/15/494116115.db2.gz CMKBQOZGYFYBBL-UHFFFAOYSA-N 1 1 358.423 3.075 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038856289 494118973 /nfs/dbraw/zinc/11/89/73/494118973.db2.gz MYGOIQZCVLGTSC-MRXNPFEDSA-N 1 1 369.421 3.454 20 5 FGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCCN(c3nccs3)CC2)cc1 ZINC000064401200 494121092 /nfs/dbraw/zinc/12/10/92/494121092.db2.gz BISGUQWWEKHUGL-UHFFFAOYSA-N 1 1 362.455 3.033 20 5 FGBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000039563798 494122934 /nfs/dbraw/zinc/12/29/34/494122934.db2.gz VJVWXKNKEZCSHY-UHFFFAOYSA-N 1 1 374.485 3.362 20 5 FGBDMO 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DVOOUQLMORUAIN-INIZCTEOSA-N 1 1 362.817 3.062 20 5 FGBDMO C[N@H+](CCOc1ccccc1F)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000016422791 494388186 /nfs/dbraw/zinc/38/81/86/494388186.db2.gz LTMVHGXDUHGLPH-UHFFFAOYSA-N 1 1 362.357 3.111 20 5 FGBDMO C[N@@H+](CCOc1ccccc1F)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000016422791 494388189 /nfs/dbraw/zinc/38/81/89/494388189.db2.gz LTMVHGXDUHGLPH-UHFFFAOYSA-N 1 1 362.357 3.111 20 5 FGBDMO CCOC(=O)[C@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089882812 494391057 /nfs/dbraw/zinc/39/10/57/494391057.db2.gz HZBVOWYGCLJEPW-AWEZNQCLSA-N 1 1 359.382 3.025 20 5 FGBDMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089882812 494391059 /nfs/dbraw/zinc/39/10/59/494391059.db2.gz HZBVOWYGCLJEPW-AWEZNQCLSA-N 1 1 359.382 3.025 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@H+](C)Cc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000016587634 494395307 /nfs/dbraw/zinc/39/53/07/494395307.db2.gz SVOVPTBWGVBXOC-UHFFFAOYSA-N 1 1 357.410 3.372 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000016587634 494395310 /nfs/dbraw/zinc/39/53/10/494395310.db2.gz SVOVPTBWGVBXOC-UHFFFAOYSA-N 1 1 357.410 3.372 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCC(n4ccnc4)CC3)co2)cc1 ZINC000089908736 494398720 /nfs/dbraw/zinc/39/87/20/494398720.db2.gz QSLPDLBXBOQAFO-UHFFFAOYSA-N 1 1 353.382 3.283 20 5 FGBDMO CCC[N@@H+]1Cc2cccc(NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)c2C1 ZINC000066761090 494402688 /nfs/dbraw/zinc/40/26/88/494402688.db2.gz XIXMENAAMKEZHH-UHFFFAOYSA-N 1 1 365.393 3.449 20 5 FGBDMO CCC[N@H+]1Cc2cccc(NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)c2C1 ZINC000066761090 494402693 /nfs/dbraw/zinc/40/26/93/494402693.db2.gz XIXMENAAMKEZHH-UHFFFAOYSA-N 1 1 365.393 3.449 20 5 FGBDMO COc1ccc(C[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000089952205 494411282 /nfs/dbraw/zinc/41/12/82/494411282.db2.gz XLNWYPNNKYDUHP-CABCVRRESA-N 1 1 352.456 3.090 20 5 FGBDMO CC(=O)Nc1cccc2c1CC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000055905990 494425693 /nfs/dbraw/zinc/42/56/93/494425693.db2.gz MRBWDZLPAORQPO-UHFFFAOYSA-N 1 1 369.421 3.380 20 5 FGBDMO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)CC[N@H+]1Cc1ccccc1 ZINC000079553113 494479101 /nfs/dbraw/zinc/47/91/01/494479101.db2.gz SAMSBTVLMAURLN-DZGCQCFKSA-N 1 1 359.451 3.439 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000090553264 494481378 /nfs/dbraw/zinc/48/13/78/494481378.db2.gz ADXFOMXSKIBTRU-LJQANCHMSA-N 1 1 353.422 3.299 20 5 FGBDMO COc1cc2c(cc1OC)C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC000046055722 494490933 /nfs/dbraw/zinc/49/09/33/494490933.db2.gz KUNONABPXBKNCR-UHFFFAOYSA-N 1 1 358.394 3.049 20 5 FGBDMO COc1cc2c(cc1OC)C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC000046055722 494490936 /nfs/dbraw/zinc/49/09/36/494490936.db2.gz KUNONABPXBKNCR-UHFFFAOYSA-N 1 1 358.394 3.049 20 5 FGBDMO Cc1c([C@@H](C)NCc2ccnc(OCC[NH+](C)C)c2)cccc1[N+](=O)[O-] ZINC000090936997 494504735 /nfs/dbraw/zinc/50/47/35/494504735.db2.gz VPICZKUYWMAWNG-OAHLLOKOSA-N 1 1 358.442 3.089 20 5 FGBDMO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000079686295 494508053 /nfs/dbraw/zinc/50/80/53/494508053.db2.gz SJQNNZPAUUQPBI-CRAIPNDOSA-N 1 1 353.422 3.378 20 5 FGBDMO C[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(F)cc1F ZINC000067452043 494543602 /nfs/dbraw/zinc/54/36/02/494543602.db2.gz DIBLNXASKCFWPT-PIGZYNQJSA-N 1 1 361.348 3.329 20 5 FGBDMO COCC[N@@H+](C)CC[C@@H](Nc1cc(C)c([N+](=O)[O-])cn1)c1ccccc1 ZINC000074747988 494590608 /nfs/dbraw/zinc/59/06/08/494590608.db2.gz KOQYYWOXPMYSBJ-QGZVFWFLSA-N 1 1 358.442 3.420 20 5 FGBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000067703077 494614917 /nfs/dbraw/zinc/61/49/17/494614917.db2.gz BXUMHPZXPRQFGT-MRXNPFEDSA-N 1 1 366.421 3.305 20 5 FGBDMO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000047262237 494667985 /nfs/dbraw/zinc/66/79/85/494667985.db2.gz KKRLVPQSVULSDN-CQSZACIVSA-N 1 1 374.828 3.494 20 5 FGBDMO CCCNC(=O)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000121298321 494690058 /nfs/dbraw/zinc/69/00/58/494690058.db2.gz MXUGSQFBYTVDFV-UHFFFAOYSA-N 1 1 361.373 3.142 20 5 FGBDMO Cc1cc([C@@H]2CCC[N@H+]2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)on1 ZINC000067965836 494712200 /nfs/dbraw/zinc/71/22/00/494712200.db2.gz REJBAFXCVUOWKO-INIZCTEOSA-N 1 1 358.398 3.365 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCc2cc(F)ccc2C1 ZINC000091894387 494715801 /nfs/dbraw/zinc/71/58/01/494715801.db2.gz XLQBZELTQHMATI-UHFFFAOYSA-N 1 1 357.385 3.429 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+](CCO)Cc3cccnc3)o2)cc1 ZINC000131791495 494732336 /nfs/dbraw/zinc/73/23/36/494732336.db2.gz IACOKGITBAPJOP-UHFFFAOYSA-N 1 1 353.378 3.244 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+](CCO)Cc3cccnc3)o2)cc1 ZINC000131791495 494732345 /nfs/dbraw/zinc/73/23/45/494732345.db2.gz IACOKGITBAPJOP-UHFFFAOYSA-N 1 1 353.378 3.244 20 5 FGBDMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)C[C@@H](C)O1 ZINC000121423917 494749823 /nfs/dbraw/zinc/74/98/23/494749823.db2.gz XNGLHWWKKRRLTR-HUUCEWRRSA-N 1 1 369.421 3.456 20 5 FGBDMO Cc1cccc(C2=CC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)c1 ZINC000092821790 494764770 /nfs/dbraw/zinc/76/47/70/494764770.db2.gz GHYLBJIDWJSLQK-UHFFFAOYSA-N 1 1 351.406 3.291 20 5 FGBDMO Cc1cccc(C2=CC[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)c1 ZINC000092821790 494764773 /nfs/dbraw/zinc/76/47/73/494764773.db2.gz GHYLBJIDWJSLQK-UHFFFAOYSA-N 1 1 351.406 3.291 20 5 FGBDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C12CCC2 ZINC000092040897 494766122 /nfs/dbraw/zinc/76/61/22/494766122.db2.gz LSTJTBGMJQMBLR-ROUUACIJSA-N 1 1 364.442 3.392 20 5 FGBDMO C[C@H]1C[NH+](Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])o3)c2)C[C@H](C)O1 ZINC000121464427 494768607 /nfs/dbraw/zinc/76/86/07/494768607.db2.gz HLWURFVOQMLCKZ-STQMWFEESA-N 1 1 359.382 3.049 20 5 FGBDMO C[N@H+]1CCC[C@@H]2CN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@@H]21 ZINC000092043694 494768645 /nfs/dbraw/zinc/76/86/45/494768645.db2.gz PEMFSUWQXAVMLV-DOMZBBRYSA-N 1 1 355.385 3.112 20 5 FGBDMO CC(C)(CNC(=O)Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000025897676 494786291 /nfs/dbraw/zinc/78/62/91/494786291.db2.gz TYMHRAYPKFNFMY-UHFFFAOYSA-N 1 1 367.449 3.090 20 5 FGBDMO CCOc1ccc(C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000108919648 494803285 /nfs/dbraw/zinc/80/32/85/494803285.db2.gz FECFNCRWNLXSHT-ZNMIVQPWSA-N 1 1 363.458 3.090 20 5 FGBDMO CC[N@@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000132064813 494810890 /nfs/dbraw/zinc/81/08/90/494810890.db2.gz YCFMBTVPBJWARW-UHFFFAOYSA-N 1 1 357.410 3.454 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000121623562 494823359 /nfs/dbraw/zinc/82/33/59/494823359.db2.gz VVVVJHQPWJMUJP-CYBMUJFWSA-N 1 1 359.451 3.141 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000121623562 494823365 /nfs/dbraw/zinc/82/33/65/494823365.db2.gz VVVVJHQPWJMUJP-CYBMUJFWSA-N 1 1 359.451 3.141 20 5 FGBDMO COc1cc(C[N@@H+](C)[C@@H]2CCOC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000132181565 494834634 /nfs/dbraw/zinc/83/46/34/494834634.db2.gz BSZGFDSNNYIUAX-GOSISDBHSA-N 1 1 372.421 3.403 20 5 FGBDMO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3ccccc3OC3CC3)CC2)c1 ZINC000574320544 505746211 /nfs/dbraw/zinc/74/62/11/505746211.db2.gz SMNUOZOSKSUZOR-UHFFFAOYSA-N 1 1 353.422 3.458 20 5 FGBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000109313088 494858419 /nfs/dbraw/zinc/85/84/19/494858419.db2.gz WDWPOFCVUHWQCE-LJQANCHMSA-N 1 1 368.437 3.117 20 5 FGBDMO COc1cc(C[N@@H+](C)CC[C@@H](C)O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000093481866 494895922 /nfs/dbraw/zinc/89/59/22/494895922.db2.gz UISGQWVICKJVIK-OAHLLOKOSA-N 1 1 374.437 3.385 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cccc(Cl)c3F)C2)nc1 ZINC000093534778 494898704 /nfs/dbraw/zinc/89/87/04/494898704.db2.gz XAHWIXBJFIWJKS-GFCCVEGCSA-N 1 1 350.781 3.469 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cccc(Cl)c3F)C2)nc1 ZINC000093534778 494898708 /nfs/dbraw/zinc/89/87/08/494898708.db2.gz XAHWIXBJFIWJKS-GFCCVEGCSA-N 1 1 350.781 3.469 20 5 FGBDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000110019379 494939625 /nfs/dbraw/zinc/93/96/25/494939625.db2.gz GQICFVRJPXDBIX-UHFFFAOYSA-N 1 1 355.438 3.294 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(SC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000122228541 494943246 /nfs/dbraw/zinc/94/32/46/494943246.db2.gz VASYOZRNINRCFG-TZMCWYRMSA-N 1 1 351.472 3.119 20 5 FGBDMO C[C@@H](c1ccc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000110722160 495003180 /nfs/dbraw/zinc/00/31/80/495003180.db2.gz DKCJFFGPVVYUIR-ZDUSSCGKSA-N 1 1 373.384 3.379 20 5 FGBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000110996762 495029169 /nfs/dbraw/zinc/02/91/69/495029169.db2.gz UTHGCFAZUSJBOG-TZMCWYRMSA-N 1 1 369.849 3.006 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCCOc3ccc(F)cc3)C2)nc1 ZINC000118866585 495050536 /nfs/dbraw/zinc/05/05/36/495050536.db2.gz GXKRJNUSFXJEPR-HNNXBMFYSA-N 1 1 360.389 3.084 20 5 FGBDMO Cc1nc(C[C@H]2CCC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)no1 ZINC000118965168 495059538 /nfs/dbraw/zinc/05/95/38/495059538.db2.gz SJJVISBKJGQMBZ-GFCCVEGCSA-N 1 1 350.806 3.394 20 5 FGBDMO Cc1nc(C[C@H]2CCC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)no1 ZINC000118965168 495059533 /nfs/dbraw/zinc/05/95/33/495059533.db2.gz SJJVISBKJGQMBZ-GFCCVEGCSA-N 1 1 350.806 3.394 20 5 FGBDMO CC(C)(C)OC1CC[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000119006164 495069252 /nfs/dbraw/zinc/06/92/52/495069252.db2.gz MICWSOJLBDXMJY-UHFFFAOYSA-N 1 1 360.414 3.424 20 5 FGBDMO Cc1ccc([C@@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000101527361 495071802 /nfs/dbraw/zinc/07/18/02/495071802.db2.gz UKFNJWOGRWMUQF-MRXNPFEDSA-N 1 1 361.373 3.202 20 5 FGBDMO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1c1ncccc1[N+](=O)[O-] ZINC000119419374 495163127 /nfs/dbraw/zinc/16/31/27/495163127.db2.gz ZMMQRXRJJCHOKA-KXBFYZLASA-N 1 1 369.469 3.430 20 5 FGBDMO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1c1ncccc1[N+](=O)[O-] ZINC000119419374 495163131 /nfs/dbraw/zinc/16/31/31/495163131.db2.gz ZMMQRXRJJCHOKA-KXBFYZLASA-N 1 1 369.469 3.430 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000103550678 495246783 /nfs/dbraw/zinc/24/67/83/495246783.db2.gz RVVVAOBITLFONB-UHFFFAOYSA-N 1 1 371.784 3.067 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2nc(CN[C@H]3CC[N@@H+](CC4CC4)C3)cs2)c1 ZINC000113339996 495298081 /nfs/dbraw/zinc/29/80/81/495298081.db2.gz ISDXTFHAACFHJL-HNNXBMFYSA-N 1 1 358.467 3.292 20 5 FGBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000136608819 495390220 /nfs/dbraw/zinc/39/02/20/495390220.db2.gz PLEDTXSZSRPFKS-LBPRGKRZSA-N 1 1 353.850 3.489 20 5 FGBDMO C[N@@H+]1CC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1 ZINC000130438540 495392071 /nfs/dbraw/zinc/39/20/71/495392071.db2.gz YWNQAPSCBJDTNF-HKUYNNGSSA-N 1 1 373.840 3.352 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1 ZINC000130438540 495392074 /nfs/dbraw/zinc/39/20/74/495392074.db2.gz YWNQAPSCBJDTNF-HKUYNNGSSA-N 1 1 373.840 3.352 20 5 FGBDMO C[N@@H+]1CC[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000130922197 495466574 /nfs/dbraw/zinc/46/65/74/495466574.db2.gz ANDIGGLQTLLDOC-APWZRJJASA-N 1 1 373.840 3.352 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000130922197 495466575 /nfs/dbraw/zinc/46/65/75/495466575.db2.gz ANDIGGLQTLLDOC-APWZRJJASA-N 1 1 373.840 3.352 20 5 FGBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)NCc2cccc([N+](=O)[O-])c2)c1 ZINC000131018948 495480661 /nfs/dbraw/zinc/48/06/61/495480661.db2.gz HGDMUEQOSZYRDV-UHFFFAOYSA-N 1 1 356.426 3.046 20 5 FGBDMO Cc1cnc([C@@H]([NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C2CC2)s1 ZINC000185350197 495542846 /nfs/dbraw/zinc/54/28/46/495542846.db2.gz KWBUIJKOLFLEPB-CVEARBPZSA-N 1 1 372.450 3.206 20 5 FGBDMO C[C@@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182564490 495617846 /nfs/dbraw/zinc/61/78/46/495617846.db2.gz GXYQJKARILCWCV-GDBMZVCRSA-N 1 1 360.458 3.047 20 5 FGBDMO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[N@H+](C2CCCC2)CC1 ZINC000179523093 495627523 /nfs/dbraw/zinc/62/75/23/495627523.db2.gz NKMCSYJAEIPXNL-UHFFFAOYSA-N 1 1 370.453 3.096 20 5 FGBDMO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1 ZINC000182634358 495643330 /nfs/dbraw/zinc/64/33/30/495643330.db2.gz XZERFCMFVQUOBY-ZDUSSCGKSA-N 1 1 374.418 3.466 20 5 FGBDMO O=C(c1cc(F)c([N+](=O)[O-])cc1F)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000159085699 495654736 /nfs/dbraw/zinc/65/47/36/495654736.db2.gz NHVYIRCIBCGMNM-CYBMUJFWSA-N 1 1 373.359 3.498 20 5 FGBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CCc1nccs1 ZINC000159224470 495687335 /nfs/dbraw/zinc/68/73/35/495687335.db2.gz IIMCSNQBKACOFV-UHFFFAOYSA-N 1 1 362.455 3.253 20 5 FGBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000173810659 495702531 /nfs/dbraw/zinc/70/25/31/495702531.db2.gz SUIFLGYEYBQNNU-LBPRGKRZSA-N 1 1 373.375 3.418 20 5 FGBDMO C[C@H]1C[C@H](N(C)C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000182843337 495724300 /nfs/dbraw/zinc/72/43/00/495724300.db2.gz BUYNFCVLBOWCGA-WCQYABFASA-N 1 1 371.890 3.281 20 5 FGBDMO CCS[C@H]1CC[C@@H]([N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000173866709 495725912 /nfs/dbraw/zinc/72/59/12/495725912.db2.gz XIXFOPMUZCRVHM-CVEARBPZSA-N 1 1 351.472 3.164 20 5 FGBDMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176731541 495765524 /nfs/dbraw/zinc/76/55/24/495765524.db2.gz XGEJKCSXLUUFFL-YOEHRIQHSA-N 1 1 371.441 3.343 20 5 FGBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1cc(Cl)cc(Cl)c1 ZINC000159759711 495804122 /nfs/dbraw/zinc/80/41/22/495804122.db2.gz SSIOURXHUZSLET-UHFFFAOYSA-N 1 1 356.209 3.195 20 5 FGBDMO C[NH+](C)[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)c1ccccc1Cl ZINC000179968810 495804215 /nfs/dbraw/zinc/80/42/15/495804215.db2.gz QRQLPMNBUCOMDQ-CYBMUJFWSA-N 1 1 360.805 3.006 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159766179 495804865 /nfs/dbraw/zinc/80/48/65/495804865.db2.gz VHKQQSZAZUVCML-UHFFFAOYSA-N 1 1 370.453 3.430 20 5 FGBDMO Cc1ccc(N2CCC(NC(=O)Nc3cccc([N+](=O)[O-])c3)CC2)[nH+]c1 ZINC000174180086 495852457 /nfs/dbraw/zinc/85/24/57/495852457.db2.gz YLWJJBYMRNXFAT-UHFFFAOYSA-N 1 1 355.398 3.089 20 5 FGBDMO O=C(CC[N@H+]1Cc2ccccc2C2(CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000186181060 495886754 /nfs/dbraw/zinc/88/67/54/495886754.db2.gz XBXXDABZMIOVSR-UHFFFAOYSA-N 1 1 351.406 3.471 20 5 FGBDMO COc1ccc([C@H]2CC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000155337710 495924833 /nfs/dbraw/zinc/92/48/33/495924833.db2.gz CLAIIOQOIPHKPT-INIZCTEOSA-N 1 1 369.421 3.422 20 5 FGBDMO CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186310258 495941556 /nfs/dbraw/zinc/94/15/56/495941556.db2.gz SYRUQNVHSXKPJT-HXUWFJFHSA-N 1 1 367.449 3.260 20 5 FGBDMO CCCCNC(=O)C1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000174819555 496120209 /nfs/dbraw/zinc/12/02/09/496120209.db2.gz XNYBBTQVJURFOU-UHFFFAOYSA-N 1 1 353.850 3.377 20 5 FGBDMO C[C@@H](NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000161216404 496129549 /nfs/dbraw/zinc/12/95/49/496129549.db2.gz NTEZIDJAQLLBQJ-MRXNPFEDSA-N 1 1 369.465 3.402 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000186781981 496149494 /nfs/dbraw/zinc/14/94/94/496149494.db2.gz KDMICMIJKGZDHP-UHFFFAOYSA-N 1 1 351.472 3.262 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCC[C@@H](Cn4ccnn4)C3)o2)c1 ZINC000180800997 496151705 /nfs/dbraw/zinc/15/17/05/496151705.db2.gz CWTMPDAQRKCTLV-OAHLLOKOSA-N 1 1 367.409 3.359 20 5 FGBDMO O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000161454733 496179691 /nfs/dbraw/zinc/17/96/91/496179691.db2.gz FTLULRYTZQYTQP-FQEVSTJZSA-N 1 1 365.433 3.144 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C[C@H](C)c1nccs1 ZINC000184015003 496201759 /nfs/dbraw/zinc/20/17/59/496201759.db2.gz XUHQIHGPNXIERF-ZDUSSCGKSA-N 1 1 362.455 3.424 20 5 FGBDMO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000175156716 496269892 /nfs/dbraw/zinc/26/98/92/496269892.db2.gz BXYDMZCMKALZPZ-HNNXBMFYSA-N 1 1 363.458 3.122 20 5 FGBDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000175156716 496269895 /nfs/dbraw/zinc/26/98/95/496269895.db2.gz BXYDMZCMKALZPZ-HNNXBMFYSA-N 1 1 363.458 3.122 20 5 FGBDMO O=C(NC[C@@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000175169790 496275886 /nfs/dbraw/zinc/27/58/86/496275886.db2.gz WGYKUKZKKTYEGN-IBGZPJMESA-N 1 1 353.422 3.379 20 5 FGBDMO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000175169790 496275893 /nfs/dbraw/zinc/27/58/93/496275893.db2.gz WGYKUKZKKTYEGN-IBGZPJMESA-N 1 1 353.422 3.379 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000156719040 496318781 /nfs/dbraw/zinc/31/87/81/496318781.db2.gz NBIPCDJAMOZPHB-GUYCJALGSA-N 1 1 373.840 3.499 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000181271587 496336049 /nfs/dbraw/zinc/33/60/49/496336049.db2.gz OQKMRJGDLFLMBU-ZDUSSCGKSA-N 1 1 351.472 3.167 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@H](c4cc[nH]n4)C3)co2)cc1 ZINC000153077777 496345739 /nfs/dbraw/zinc/34/57/39/496345739.db2.gz UPKROWZYABYDHK-AWEZNQCLSA-N 1 1 353.382 3.353 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)N2CCC[N@H+](C3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000172583640 496351772 /nfs/dbraw/zinc/35/17/72/496351772.db2.gz ALLGMWQWUWBSGN-INIZCTEOSA-N 1 1 374.485 3.181 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000181545737 496439802 /nfs/dbraw/zinc/43/98/02/496439802.db2.gz PFDGWNLFJOJIFI-QWHCGFSZSA-N 1 1 363.483 3.450 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000187463939 496451976 /nfs/dbraw/zinc/45/19/76/496451976.db2.gz OGLGHHNFNXCTJY-HXUWFJFHSA-N 1 1 367.449 3.164 20 5 FGBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000172833834 496453706 /nfs/dbraw/zinc/45/37/06/496453706.db2.gz RQIPYBPUOQFJQX-GOSISDBHSA-N 1 1 351.406 3.149 20 5 FGBDMO Cc1csc([C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C2CC2)n1 ZINC000181610182 496468997 /nfs/dbraw/zinc/46/89/97/496468997.db2.gz GMTLXARQGAVNLA-MRXNPFEDSA-N 1 1 360.439 3.348 20 5 FGBDMO CC(C)[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000181634484 496478781 /nfs/dbraw/zinc/47/87/81/496478781.db2.gz LKJADJFAGYFXKI-KRWDZBQOSA-N 1 1 363.364 3.459 20 5 FGBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000172906934 496484998 /nfs/dbraw/zinc/48/49/98/496484998.db2.gz RAMIKSQYXNNSHS-LBPRGKRZSA-N 1 1 373.375 3.464 20 5 FGBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000157702523 496533212 /nfs/dbraw/zinc/53/32/12/496533212.db2.gz ZEAJQZCGPSWDHP-OAHLLOKOSA-N 1 1 374.485 3.415 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000178729063 496553355 /nfs/dbraw/zinc/55/33/55/496553355.db2.gz RPIYWHGFMPWNSS-HNNXBMFYSA-N 1 1 373.453 3.395 20 5 FGBDMO C[N@@H+](CCCc1cc(-c2ccccc2)no1)CCn1cc([N+](=O)[O-])cn1 ZINC000157895958 496579659 /nfs/dbraw/zinc/57/96/59/496579659.db2.gz CMAXFQUYTXUZNT-UHFFFAOYSA-N 1 1 355.398 3.011 20 5 FGBDMO COc1ccccc1[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000157965487 496597498 /nfs/dbraw/zinc/59/74/98/496597498.db2.gz PPBGXYHAOUUFON-OAHLLOKOSA-N 1 1 369.421 3.340 20 5 FGBDMO COc1ccccc1[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000157965487 496597503 /nfs/dbraw/zinc/59/75/03/496597503.db2.gz PPBGXYHAOUUFON-OAHLLOKOSA-N 1 1 369.421 3.340 20 5 FGBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@H]1c1ccncc1 ZINC000153904744 496618953 /nfs/dbraw/zinc/61/89/53/496618953.db2.gz BSGWDKJKQBXIIR-INIZCTEOSA-N 1 1 368.393 3.125 20 5 FGBDMO C[C@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185086231 496652840 /nfs/dbraw/zinc/65/28/40/496652840.db2.gz KQJQXMNXFQATHL-KBPBESRZSA-N 1 1 365.449 3.464 20 5 FGBDMO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000176040029 496655927 /nfs/dbraw/zinc/65/59/27/496655927.db2.gz RZRPJHVEMOBTOB-SFHVURJKSA-N 1 1 357.385 3.015 20 5 FGBDMO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000176040029 496655933 /nfs/dbraw/zinc/65/59/33/496655933.db2.gz RZRPJHVEMOBTOB-SFHVURJKSA-N 1 1 357.385 3.015 20 5 FGBDMO C[C@H]1C[C@H](NC(=O)c2csc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000176114591 496689090 /nfs/dbraw/zinc/68/90/90/496689090.db2.gz RPDDEHUTWDYLHE-XJKSGUPXSA-N 1 1 359.451 3.439 20 5 FGBDMO C[C@H]1C[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000176114625 496690371 /nfs/dbraw/zinc/69/03/71/496690371.db2.gz RPDDEHUTWDYLHE-BBRMVZONSA-N 1 1 359.451 3.439 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000182192864 496702718 /nfs/dbraw/zinc/70/27/18/496702718.db2.gz GHWGQPMXEBCFOJ-GOSISDBHSA-N 1 1 372.396 3.263 20 5 FGBDMO COc1cccc([C@@H]2CCC[N@H+]2C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000182200232 496705230 /nfs/dbraw/zinc/70/52/30/496705230.db2.gz GUCBFYAPJYIWPU-WMZOPIPTSA-N 1 1 372.421 3.180 20 5 FGBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000247238958 496812732 /nfs/dbraw/zinc/81/27/32/496812732.db2.gz DGIOINRCYMCOOZ-BLLLJJGKSA-N 1 1 374.466 3.131 20 5 FGBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccs1 ZINC000247384301 496847871 /nfs/dbraw/zinc/84/78/71/496847871.db2.gz LQVCAHGGMJTYSB-YOEHRIQHSA-N 1 1 359.451 3.469 20 5 FGBDMO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)n1 ZINC000191792472 496890756 /nfs/dbraw/zinc/89/07/56/496890756.db2.gz XZMLXXFWFLSOSJ-UHFFFAOYSA-N 1 1 354.370 3.207 20 5 FGBDMO CC(C)c1cccc2c1CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C2 ZINC000191890746 496921575 /nfs/dbraw/zinc/92/15/75/496921575.db2.gz PIWOPHKZWBNWHW-UHFFFAOYSA-N 1 1 353.422 3.375 20 5 FGBDMO CC(C)c1cccc2c1CC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C2 ZINC000191890746 496921577 /nfs/dbraw/zinc/92/15/77/496921577.db2.gz PIWOPHKZWBNWHW-UHFFFAOYSA-N 1 1 353.422 3.375 20 5 FGBDMO COc1cccc([C@H]2CCC[N@H+]2C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000248373155 496985530 /nfs/dbraw/zinc/98/55/30/496985530.db2.gz GUCBFYAPJYIWPU-SJLPKXTDSA-N 1 1 372.421 3.180 20 5 FGBDMO CC[C@H](C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000578179227 505880293 /nfs/dbraw/zinc/88/02/93/505880293.db2.gz MXDKGDOWOUIOAP-QGZVFWFLSA-N 1 1 371.437 3.130 20 5 FGBDMO Cc1ccc(CNC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000192357216 497087639 /nfs/dbraw/zinc/08/76/39/497087639.db2.gz XXVHZBDQKXNNSU-HXUWFJFHSA-N 1 1 369.465 3.284 20 5 FGBDMO Cc1ccc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000192357216 497087644 /nfs/dbraw/zinc/08/76/44/497087644.db2.gz XXVHZBDQKXNNSU-HXUWFJFHSA-N 1 1 369.465 3.284 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](OC)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000189367759 497097094 /nfs/dbraw/zinc/09/70/94/497097094.db2.gz RALWAWDWYOXLCV-BMIGLBTASA-N 1 1 360.357 3.062 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](OC)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000189367759 497097100 /nfs/dbraw/zinc/09/71/00/497097100.db2.gz RALWAWDWYOXLCV-BMIGLBTASA-N 1 1 360.357 3.062 20 5 FGBDMO COC[C@H]1C[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C[C@@H](C)O1 ZINC000189470541 497128190 /nfs/dbraw/zinc/12/81/90/497128190.db2.gz GLYULNKKPSODMP-RHSMWYFYSA-N 1 1 353.418 3.182 20 5 FGBDMO COC[C@H]1C[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C[C@@H](C)O1 ZINC000189470541 497128193 /nfs/dbraw/zinc/12/81/93/497128193.db2.gz GLYULNKKPSODMP-RHSMWYFYSA-N 1 1 353.418 3.182 20 5 FGBDMO CC(C)[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000236684577 497131617 /nfs/dbraw/zinc/13/16/17/497131617.db2.gz AMDZCWZCERUTDA-IBGZPJMESA-N 1 1 371.485 3.205 20 5 FGBDMO CC[N@@H+]1CCC[C@@H]1CNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000236837040 497154058 /nfs/dbraw/zinc/15/40/58/497154058.db2.gz JYMUQGSEYNHITL-CQSZACIVSA-N 1 1 359.426 3.437 20 5 FGBDMO CC[N@H+]1CCC[C@@H]1CNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000236837040 497154065 /nfs/dbraw/zinc/15/40/65/497154065.db2.gz JYMUQGSEYNHITL-CQSZACIVSA-N 1 1 359.426 3.437 20 5 FGBDMO O=[N+]([O-])c1cccc(C[N@@H+](CCOCC(F)(F)C(F)F)C2CC2)c1 ZINC000189577731 497170667 /nfs/dbraw/zinc/17/06/67/497170667.db2.gz YESAUMALTATSKU-UHFFFAOYSA-N 1 1 350.312 3.476 20 5 FGBDMO COc1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc([N+](=O)[O-])c1C ZINC000189632471 497189332 /nfs/dbraw/zinc/18/93/32/497189332.db2.gz VDJVMDJEHXCTJQ-WMLDXEAASA-N 1 1 373.453 3.001 20 5 FGBDMO O=C1CCCN1[C@H]1CC[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000270832945 497210867 /nfs/dbraw/zinc/21/08/67/497210867.db2.gz CXOMXIUEGKRAQH-KRWDZBQOSA-N 1 1 362.429 3.143 20 5 FGBDMO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2CCOc1cccc([N+](=O)[O-])c1 ZINC000581024221 505893238 /nfs/dbraw/zinc/89/32/38/505893238.db2.gz KANAGNFFIFBBFR-CVEARBPZSA-N 1 1 354.410 3.027 20 5 FGBDMO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)CCC2 ZINC000192880740 497236268 /nfs/dbraw/zinc/23/62/68/497236268.db2.gz MPRDQOHPHNGLIP-MGPUTAFESA-N 1 1 359.470 3.063 20 5 FGBDMO COc1ccccc1[C@@H](C)NC(=O)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271671902 497415110 /nfs/dbraw/zinc/41/51/10/497415110.db2.gz BBZBMRTYYJMPRU-UONOGXRCSA-N 1 1 357.410 3.131 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000245554263 497454228 /nfs/dbraw/zinc/45/42/28/497454228.db2.gz SAPYMUCOXJBBTP-BFQNTYOBSA-N 1 1 369.849 3.058 20 5 FGBDMO CC[N@H+](Cc1c[nH]c2ccccc12)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000190497672 497505477 /nfs/dbraw/zinc/50/54/77/497505477.db2.gz ACFBENKBJCOKSF-MRXNPFEDSA-N 1 1 369.421 3.338 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000267455245 497556772 /nfs/dbraw/zinc/55/67/72/497556772.db2.gz QDJJNBWWNZJMFA-OXQOHEQNSA-N 1 1 367.449 3.164 20 5 FGBDMO C[N@@H+]1CC[C@H](NC(=O)c2csc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)cc1 ZINC000245931133 497576286 /nfs/dbraw/zinc/57/62/86/497576286.db2.gz UVFKIJQXVUFCOT-DZGCQCFKSA-N 1 1 365.842 3.485 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)c2csc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)cc1 ZINC000245931133 497576289 /nfs/dbraw/zinc/57/62/89/497576289.db2.gz UVFKIJQXVUFCOT-DZGCQCFKSA-N 1 1 365.842 3.485 20 5 FGBDMO CC(C)[N@@H+](C)CCNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000194605150 497716943 /nfs/dbraw/zinc/71/69/43/497716943.db2.gz AXNGFFMVSWVUOW-UHFFFAOYSA-N 1 1 371.437 3.244 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000246497119 497753442 /nfs/dbraw/zinc/75/34/42/497753442.db2.gz ITIILXVSBGSCID-HUUCEWRRSA-N 1 1 363.433 3.461 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246586639 497782482 /nfs/dbraw/zinc/78/24/82/497782482.db2.gz ZVVCFLYZBJKWHE-ZOBUZTSGSA-N 1 1 362.474 3.336 20 5 FGBDMO Cn1cc(C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c(-c2ccccc2)n1 ZINC000364341173 497908779 /nfs/dbraw/zinc/90/87/79/497908779.db2.gz TVPATPKDVBDSIY-QGZVFWFLSA-N 1 1 366.425 3.029 20 5 FGBDMO CCC[C@@]1(CO)CC[N@@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000288829679 497914565 /nfs/dbraw/zinc/91/45/65/497914565.db2.gz NSKJJXQXTZLDEG-QGZVFWFLSA-N 1 1 374.384 3.189 20 5 FGBDMO CC(=O)Nc1ccc(NC(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000292204831 497920857 /nfs/dbraw/zinc/92/08/57/497920857.db2.gz SPHQWSLHWVIHEB-UHFFFAOYSA-N 1 1 370.409 3.017 20 5 FGBDMO C[C@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000301092701 497948004 /nfs/dbraw/zinc/94/80/04/497948004.db2.gz JPRJQOQREZJKLK-ZIAGYGMSSA-N 1 1 360.458 3.019 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc(O)c3)CC2)c2ccncc21 ZINC000301143496 497970099 /nfs/dbraw/zinc/97/00/99/497970099.db2.gz JTPYWVZEVZPWHG-UHFFFAOYSA-N 1 1 364.405 3.171 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CSC)C1 ZINC000292430593 498011812 /nfs/dbraw/zinc/01/18/12/498011812.db2.gz NOBIQANVQDXERU-STQMWFEESA-N 1 1 367.471 3.005 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](CSC)C1 ZINC000292430593 498011819 /nfs/dbraw/zinc/01/18/19/498011819.db2.gz NOBIQANVQDXERU-STQMWFEESA-N 1 1 367.471 3.005 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000364540948 498012983 /nfs/dbraw/zinc/01/29/83/498012983.db2.gz RLWYBGOTFLIJKZ-ZMSDIMECSA-N 1 1 358.442 3.160 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000364540949 498013047 /nfs/dbraw/zinc/01/30/47/498013047.db2.gz RLWYBGOTFLIJKZ-ZOBUZTSGSA-N 1 1 358.442 3.160 20 5 FGBDMO Cn1cc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000285239348 498030762 /nfs/dbraw/zinc/03/07/62/498030762.db2.gz SKMLBNHZWLWDPF-QZTJIDSGSA-N 1 1 356.426 3.139 20 5 FGBDMO C[C@H](C(=O)Nc1cccnc1Cl)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285303423 498046682 /nfs/dbraw/zinc/04/66/82/498046682.db2.gz LLLJNIFZQKZQDE-GFCCVEGCSA-N 1 1 362.817 3.145 20 5 FGBDMO C[C@H](C(=O)Nc1cccnc1Cl)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285303423 498046678 /nfs/dbraw/zinc/04/66/78/498046678.db2.gz LLLJNIFZQKZQDE-GFCCVEGCSA-N 1 1 362.817 3.145 20 5 FGBDMO Cc1ccnc(NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000301304941 498049233 /nfs/dbraw/zinc/04/92/33/498049233.db2.gz TYFRTDMIUQEPSM-SFHVURJKSA-N 1 1 369.469 3.089 20 5 FGBDMO Cc1ccnc(NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000301304941 498049238 /nfs/dbraw/zinc/04/92/38/498049238.db2.gz TYFRTDMIUQEPSM-SFHVURJKSA-N 1 1 369.469 3.089 20 5 FGBDMO Cc1ccnc(NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000301304941 498049242 /nfs/dbraw/zinc/04/92/42/498049242.db2.gz TYFRTDMIUQEPSM-SFHVURJKSA-N 1 1 369.469 3.089 20 5 FGBDMO O=[N+]([O-])c1c(NC[C@H]2CCC[N@H+]2Cc2ccccc2)nc2sccn21 ZINC000301310367 498050937 /nfs/dbraw/zinc/05/09/37/498050937.db2.gz ZJTFMVSRKRYBMD-CQSZACIVSA-N 1 1 357.439 3.381 20 5 FGBDMO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000364693883 498093598 /nfs/dbraw/zinc/09/35/98/498093598.db2.gz ICIZMIHHDYSRBS-IRXDYDNUSA-N 1 1 351.834 3.224 20 5 FGBDMO Cn1c(=O)sc2cc(C[N@@H+](C)CCc3ccccc3[N+](=O)[O-])ccc21 ZINC000581396445 505978426 /nfs/dbraw/zinc/97/84/26/505978426.db2.gz CECJYTZZRBVRTN-UHFFFAOYSA-N 1 1 357.435 3.183 20 5 FGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000289313707 498101251 /nfs/dbraw/zinc/10/12/51/498101251.db2.gz JLPOEXZHNOXONB-GOEBONIOSA-N 1 1 354.410 3.196 20 5 FGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000289313707 498101253 /nfs/dbraw/zinc/10/12/53/498101253.db2.gz JLPOEXZHNOXONB-GOEBONIOSA-N 1 1 354.410 3.196 20 5 FGBDMO Cc1noc([C@H]2CCC[N@H+]2CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)n1 ZINC000285509205 498112203 /nfs/dbraw/zinc/11/22/03/498112203.db2.gz DGHIFUOOVBFYQA-OAHLLOKOSA-N 1 1 369.381 3.321 20 5 FGBDMO Cc1ccnc(N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000301585564 498174959 /nfs/dbraw/zinc/17/49/59/498174959.db2.gz VYTOUFZZJDULNA-IYBDPMFKSA-N 1 1 362.474 3.014 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000364874289 498186217 /nfs/dbraw/zinc/18/62/17/498186217.db2.gz AIWJSEYIJIROIR-ZOBUZTSGSA-N 1 1 358.442 3.160 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c(F)c1 ZINC000578673944 505994309 /nfs/dbraw/zinc/99/43/09/505994309.db2.gz QPBIMNAICJHULO-LJQANCHMSA-N 1 1 362.376 3.300 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c(F)c1 ZINC000578673944 505994310 /nfs/dbraw/zinc/99/43/10/505994310.db2.gz QPBIMNAICJHULO-LJQANCHMSA-N 1 1 362.376 3.300 20 5 FGBDMO CNC(=O)c1ccc(N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000301620305 498191333 /nfs/dbraw/zinc/19/13/33/498191333.db2.gz MJJHPOKRLRASIJ-PBHICJAKSA-N 1 1 368.437 3.029 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000289590252 498208157 /nfs/dbraw/zinc/20/81/57/498208157.db2.gz PQTJFGYXYKQNKB-PKOBYXMFSA-N 1 1 373.453 3.265 20 5 FGBDMO Cc1ncc(C[N@H+]2CC[C@@H](Nc3cc(C)c([N+](=O)[O-])cn3)[C@H](C)C2)s1 ZINC000364922088 498210426 /nfs/dbraw/zinc/21/04/26/498210426.db2.gz FNZNIRACICIBRU-IUODEOHRSA-N 1 1 361.471 3.386 20 5 FGBDMO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC(n4cc(Cl)cn4)CC3)nc2c1 ZINC000365023440 498261373 /nfs/dbraw/zinc/26/13/73/498261373.db2.gz WMCADFSCFOMNTP-UHFFFAOYSA-N 1 1 361.789 3.423 20 5 FGBDMO C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)[C@@H](C)[NH+]1CCOCC1 ZINC000301851831 498293245 /nfs/dbraw/zinc/29/32/45/498293245.db2.gz GDVDWXOQEWWJMJ-HUUCEWRRSA-N 1 1 356.426 3.178 20 5 FGBDMO CCc1nn(C)c(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000301919980 498327655 /nfs/dbraw/zinc/32/76/55/498327655.db2.gz CLCFYTQYTOELPS-PBHICJAKSA-N 1 1 357.458 3.213 20 5 FGBDMO Cc1cc(N2CC[NH+](Cc3cccnc3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000301996191 498360664 /nfs/dbraw/zinc/36/06/64/498360664.db2.gz HPKWMJWBUUJEKS-UHFFFAOYSA-N 1 1 363.421 3.169 20 5 FGBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000365238076 498367771 /nfs/dbraw/zinc/36/77/71/498367771.db2.gz FZBKIIOXINUJEI-INIZCTEOSA-N 1 1 369.425 3.024 20 5 FGBDMO CC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCOC(C)(C)C1 ZINC000289970556 498376341 /nfs/dbraw/zinc/37/63/41/498376341.db2.gz XBARKSDRPKJIDM-OAHLLOKOSA-N 1 1 360.414 3.424 20 5 FGBDMO O=[N+]([O-])c1cc(F)ccc1NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000302035623 498378287 /nfs/dbraw/zinc/37/82/87/498378287.db2.gz FLJKJFJZWVRIKU-KRWDZBQOSA-N 1 1 359.401 3.303 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCCN(C(=O)c2ccncc2)CC1 ZINC000361770373 498428686 /nfs/dbraw/zinc/42/86/86/498428686.db2.gz WVBWQDFTZWICLE-INIZCTEOSA-N 1 1 368.437 3.207 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCCN(C(=O)c2ccncc2)CC1 ZINC000361770373 498428694 /nfs/dbraw/zinc/42/86/94/498428694.db2.gz WVBWQDFTZWICLE-INIZCTEOSA-N 1 1 368.437 3.207 20 5 FGBDMO C[NH+]1CCN(CCC(C)(C)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000302291186 498465342 /nfs/dbraw/zinc/46/53/42/498465342.db2.gz WQCYOXANTHCTHA-UHFFFAOYSA-N 1 1 374.407 3.442 20 5 FGBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(c3nnc4n3CCC4)CC2)ccc1Cl ZINC000362197277 498474634 /nfs/dbraw/zinc/47/46/34/498474634.db2.gz FKSQRCKVCWQIOZ-UHFFFAOYSA-N 1 1 361.833 3.166 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)[C@H](C)C1 ZINC000297714664 498545155 /nfs/dbraw/zinc/54/51/55/498545155.db2.gz NHIDFSVZWDUDSN-DOMZBBRYSA-N 1 1 353.850 3.359 20 5 FGBDMO Cc1cc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)nc(N2CCCC2)n1 ZINC000578946050 506056900 /nfs/dbraw/zinc/05/69/00/506056900.db2.gz SSNJIZKPDBZFLA-OAHLLOKOSA-N 1 1 355.442 3.453 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000297917351 498609570 /nfs/dbraw/zinc/60/95/70/498609570.db2.gz ZEWDTICYTJEROO-BXUZGUMPSA-N 1 1 373.375 3.416 20 5 FGBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C2)C1 ZINC000294228940 498626814 /nfs/dbraw/zinc/62/68/14/498626814.db2.gz RJXUPYOAICHTRV-INIZCTEOSA-N 1 1 371.359 3.172 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000332346730 498658260 /nfs/dbraw/zinc/65/82/60/498658260.db2.gz RXNMQZLQDKOHNI-IJEWVQPXSA-N 1 1 361.442 3.081 20 5 FGBDMO CN(C)C(=O)CC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000294533040 498722183 /nfs/dbraw/zinc/72/21/83/498722183.db2.gz JUISUWOSJPCAEL-UHFFFAOYSA-N 1 1 373.375 3.304 20 5 FGBDMO CCC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1C[C@H](OCC)C1(C)C ZINC000303944276 498730300 /nfs/dbraw/zinc/73/03/00/498730300.db2.gz ZBANCYZXVKSAFX-IRXDYDNUSA-N 1 1 363.458 3.109 20 5 FGBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2c2ccc[nH]2)c([N+](=O)[O-])c1 ZINC000298661242 498841841 /nfs/dbraw/zinc/84/18/41/498841841.db2.gz QXQDSWSKSBZXPU-MRXNPFEDSA-N 1 1 358.398 3.097 20 5 FGBDMO CC(C)[C@@H](CNc1ccc(C(F)F)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000327559331 498859472 /nfs/dbraw/zinc/85/94/72/498859472.db2.gz CPRUUXMKHHRFET-MRXNPFEDSA-N 1 1 356.417 3.216 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@H](OC)C(C)(C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000294980096 498869234 /nfs/dbraw/zinc/86/92/34/498869234.db2.gz JRCTZNZDRDOJJI-OAHLLOKOSA-N 1 1 374.384 3.452 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@@H](OC)C(C)(C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000294980096 498869238 /nfs/dbraw/zinc/86/92/38/498869238.db2.gz JRCTZNZDRDOJJI-OAHLLOKOSA-N 1 1 374.384 3.452 20 5 FGBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[N@H+](C2CC2)C1 ZINC000295224904 498947677 /nfs/dbraw/zinc/94/76/77/498947677.db2.gz AZRIFVDFNIDAFQ-NSHDSACASA-N 1 1 371.359 3.170 20 5 FGBDMO Cc1nc(NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)ncc1[N+](=O)[O-] ZINC000295406928 499007573 /nfs/dbraw/zinc/00/75/73/499007573.db2.gz CWPCQERSMVSUCL-UHFFFAOYSA-N 1 1 363.368 3.048 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@H]([C@@H]4CCOC4)C3)o2)c1 ZINC000366650891 499018132 /nfs/dbraw/zinc/01/81/32/499018132.db2.gz GUMIUIVHGKADOP-JKSUJKDBSA-N 1 1 357.410 3.151 20 5 FGBDMO COc1cc(C[N@H+]2CCC3(CCOCC3)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000363864228 499031179 /nfs/dbraw/zinc/03/11/79/499031179.db2.gz CVQJKZMAWBCNLT-CYBMUJFWSA-N 1 1 350.415 3.003 20 5 FGBDMO CC[NH+](CC)[C@@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)c1ccco1 ZINC000288474136 499035443 /nfs/dbraw/zinc/03/54/43/499035443.db2.gz OWPRPQWJVFEPJL-HNNXBMFYSA-N 1 1 371.397 3.332 20 5 FGBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc([N+](=O)[O-])s1 ZINC000299441427 499059801 /nfs/dbraw/zinc/05/98/01/499059801.db2.gz KNKYDIDPLAQWFU-LBPRGKRZSA-N 1 1 365.480 3.360 20 5 FGBDMO CO[C@H]1CC[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1(C)C ZINC000295799481 499103663 /nfs/dbraw/zinc/10/36/63/499103663.db2.gz AZAQRTVJPUYTPT-DOMZBBRYSA-N 1 1 360.414 3.453 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000291960151 499111336 /nfs/dbraw/zinc/11/13/36/499111336.db2.gz WKXJWQQKKQHQTC-RDJZCZTQSA-N 1 1 353.422 3.296 20 5 FGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@@](O)(c3ccccc3)CC2)c1 ZINC000367701454 499226502 /nfs/dbraw/zinc/22/65/02/499226502.db2.gz KWPAZONQFSDRMM-PMACEKPBSA-N 1 1 356.422 3.002 20 5 FGBDMO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000368405520 499292936 /nfs/dbraw/zinc/29/29/36/499292936.db2.gz SGUCTILLWGTCKR-SFHVURJKSA-N 1 1 355.373 3.047 20 5 FGBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000368405520 499292937 /nfs/dbraw/zinc/29/29/37/499292937.db2.gz SGUCTILLWGTCKR-SFHVURJKSA-N 1 1 355.373 3.047 20 5 FGBDMO Nc1cc2c(nn1)CC[N@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)s1)C2 ZINC000371374207 499316815 /nfs/dbraw/zinc/31/68/15/499316815.db2.gz QAMCQCVLBCUERQ-UHFFFAOYSA-N 1 1 367.434 3.084 20 5 FGBDMO Nc1cc2c(nn1)CC[N@@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)s1)C2 ZINC000371374207 499316816 /nfs/dbraw/zinc/31/68/16/499316816.db2.gz QAMCQCVLBCUERQ-UHFFFAOYSA-N 1 1 367.434 3.084 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NCc2[nH+]c(C)n3c2CCCC3)c1 ZINC000368668050 499320115 /nfs/dbraw/zinc/32/01/15/499320115.db2.gz KCFPKJXNECKABO-UHFFFAOYSA-N 1 1 360.439 3.088 20 5 FGBDMO CC(C)[C@@H](O)C(C)(C)C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000582138011 506142472 /nfs/dbraw/zinc/14/24/72/506142472.db2.gz RFGRAMXXOMRBGE-DLBZAZTESA-N 1 1 360.458 3.050 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](Cc3ccncc3)C2)cccc1[N+](=O)[O-] ZINC000368765703 499329804 /nfs/dbraw/zinc/32/98/04/499329804.db2.gz QPGHMSBRELCJEZ-WBVHZDCISA-N 1 1 368.437 3.190 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000371721756 499358699 /nfs/dbraw/zinc/35/86/99/499358699.db2.gz BEUCVSJSBYNHSG-GDBMZVCRSA-N 1 1 357.410 3.170 20 5 FGBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)CC2)n1 ZINC000369494673 499409059 /nfs/dbraw/zinc/40/90/59/499409059.db2.gz SMQRUYPOUIFKDA-UHFFFAOYSA-N 1 1 365.777 3.190 20 5 FGBDMO C[N@H+]1CC[C@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccs1 ZINC000369544222 499415241 /nfs/dbraw/zinc/41/52/41/499415241.db2.gz RWLIMZFTQOLZOI-RHSMWYFYSA-N 1 1 374.466 3.149 20 5 FGBDMO CNC(=O)c1ccc(NC[C@H]2CC[N@@H+](C)[C@@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000369562155 499418048 /nfs/dbraw/zinc/41/80/48/499418048.db2.gz XQMFBFNXKIYDSW-DYVFJYSZSA-N 1 1 374.466 3.121 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]C[C@]1(C)CCO[C@@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000373367723 499465751 /nfs/dbraw/zinc/46/57/51/499465751.db2.gz AXAXRJSMOBAASE-GGPKGHCWSA-N 1 1 370.453 3.213 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCOCC4(CCCC4)C3)o2)cc1 ZINC000375401316 499514374 /nfs/dbraw/zinc/51/43/74/499514374.db2.gz GJPRIRLCAOKWTI-UHFFFAOYSA-N 1 1 358.398 3.037 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCOCC4(CCCC4)C3)o2)cc1 ZINC000375401316 499514375 /nfs/dbraw/zinc/51/43/75/499514375.db2.gz GJPRIRLCAOKWTI-UHFFFAOYSA-N 1 1 358.398 3.037 20 5 FGBDMO Cc1c(C[N@H+](C)C2CCN(CCc3ccncc3)CC2)cccc1[N+](=O)[O-] ZINC000378429124 499516072 /nfs/dbraw/zinc/51/60/72/499516072.db2.gz KQRIGNKWTKKFPH-UHFFFAOYSA-N 1 1 368.481 3.437 20 5 FGBDMO Cc1c(CN(C)C2CC[NH+](CCc3ccncc3)CC2)cccc1[N+](=O)[O-] ZINC000378429124 499516073 /nfs/dbraw/zinc/51/60/73/499516073.db2.gz KQRIGNKWTKKFPH-UHFFFAOYSA-N 1 1 368.481 3.437 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000375622381 499538697 /nfs/dbraw/zinc/53/86/97/499538697.db2.gz DHUWRARGSQLSBW-KRWDZBQOSA-N 1 1 357.414 3.182 20 5 FGBDMO COCCn1cc2c(n1)[C@@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)CCC2 ZINC000375845860 499561675 /nfs/dbraw/zinc/56/16/75/499561675.db2.gz CNWHRPISPJBVBR-YOEHRIQHSA-N 1 1 358.442 3.474 20 5 FGBDMO COCCn1cc2c(n1)[C@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)CCC2 ZINC000375845859 499561815 /nfs/dbraw/zinc/56/18/15/499561815.db2.gz CNWHRPISPJBVBR-WMLDXEAASA-N 1 1 358.442 3.474 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000397992357 499565679 /nfs/dbraw/zinc/56/56/79/499565679.db2.gz QVKWGNRPDRJFDZ-RHSMWYFYSA-N 1 1 368.437 3.016 20 5 FGBDMO CNc1c(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000397999498 499565713 /nfs/dbraw/zinc/56/57/13/499565713.db2.gz MKCDTLYHAKQWCU-GDBMZVCRSA-N 1 1 368.437 3.029 20 5 FGBDMO CC(C)[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nc(C2CC2)no1 ZINC000411482787 499746323 /nfs/dbraw/zinc/74/63/23/499746323.db2.gz AUTLENGKJVIKNH-INIZCTEOSA-N 1 1 373.413 3.171 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000411498358 499748049 /nfs/dbraw/zinc/74/80/49/499748049.db2.gz BEHKNPHFBLBRRB-LXZKKBNFSA-N 1 1 361.442 3.443 20 5 FGBDMO CCOC(=O)c1c(C)[nH]c(C(=O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1C ZINC000411771447 499788974 /nfs/dbraw/zinc/78/89/74/499788974.db2.gz OEDVDDDKJKFTLU-LBPRGKRZSA-N 1 1 373.409 3.250 20 5 FGBDMO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H](c1ccccc1)C1(CO)CCOCC1 ZINC000412014895 499813201 /nfs/dbraw/zinc/81/32/01/499813201.db2.gz YKOTWHPTLBQBKP-LJQANCHMSA-N 1 1 374.412 3.354 20 5 FGBDMO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000412055805 499818349 /nfs/dbraw/zinc/81/83/49/499818349.db2.gz MQZKOBOXOOHALM-CYBMUJFWSA-N 1 1 351.834 3.225 20 5 FGBDMO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000412055805 499818350 /nfs/dbraw/zinc/81/83/50/499818350.db2.gz MQZKOBOXOOHALM-CYBMUJFWSA-N 1 1 351.834 3.225 20 5 FGBDMO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccccc1 ZINC000412086262 499821940 /nfs/dbraw/zinc/82/19/40/499821940.db2.gz BJMKBIWQDYEWRN-RYGJVYDSSA-N 1 1 367.449 3.335 20 5 FGBDMO CC(C)c1ccc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1[N+](=O)[O-] ZINC000415133661 499868339 /nfs/dbraw/zinc/86/83/39/499868339.db2.gz VJNIVDMIPQLDQG-UYAOXDASSA-N 1 1 361.486 3.437 20 5 FGBDMO CC(C)c1ccc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1[N+](=O)[O-] ZINC000415133659 499868640 /nfs/dbraw/zinc/86/86/40/499868640.db2.gz VJNIVDMIPQLDQG-QUCCMNQESA-N 1 1 361.486 3.437 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000421202268 499991380 /nfs/dbraw/zinc/99/13/80/499991380.db2.gz JQWYWHPUWZGZHS-UHFFFAOYSA-N 1 1 371.437 3.438 20 5 FGBDMO CCOc1ccc(NC(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000429269658 500038753 /nfs/dbraw/zinc/03/87/53/500038753.db2.gz GNYCIKIMRQHONL-UHFFFAOYSA-N 1 1 357.410 3.457 20 5 FGBDMO Cc1ccc(C)c(C[N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000429306719 500048504 /nfs/dbraw/zinc/04/85/04/500048504.db2.gz NQYJJKKAKGEWRZ-UHFFFAOYSA-N 1 1 353.422 3.233 20 5 FGBDMO Cc1ccc(C)c(C[N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000429306719 500048507 /nfs/dbraw/zinc/04/85/07/500048507.db2.gz NQYJJKKAKGEWRZ-UHFFFAOYSA-N 1 1 353.422 3.233 20 5 FGBDMO Cc1cccc(N2CCC(NC(=O)c3cc([N+](=O)[O-])c(C)cc3C)CC2)[nH+]1 ZINC000421474653 500058176 /nfs/dbraw/zinc/05/81/76/500058176.db2.gz QEHPFBNSDYJJGH-UHFFFAOYSA-N 1 1 368.437 3.314 20 5 FGBDMO C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C[C@@H]1CCCC[C@H]1O ZINC000425457563 500112142 /nfs/dbraw/zinc/11/21/42/500112142.db2.gz LHHUXNRZYGYSAD-SWLSCSKDSA-N 1 1 357.248 3.340 20 5 FGBDMO O=[N+]([O-])c1cncc(Cl)c1OCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000421834563 500161641 /nfs/dbraw/zinc/16/16/41/500161641.db2.gz CIWZJVAZWWNMNB-UHFFFAOYSA-N 1 1 363.801 3.054 20 5 FGBDMO C[C@@]12CCC[N@@H+]1C[C@@H](c1noc([C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)n1)OC2 ZINC000420499773 500467930 /nfs/dbraw/zinc/46/79/30/500467930.db2.gz QRBONAWRPQDKTG-RCJHGTSTSA-N 1 1 370.409 3.175 20 5 FGBDMO C[C@@]12CCC[N@H+]1C[C@@H](c1noc([C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)n1)OC2 ZINC000420499773 500467932 /nfs/dbraw/zinc/46/79/32/500467932.db2.gz QRBONAWRPQDKTG-RCJHGTSTSA-N 1 1 370.409 3.175 20 5 FGBDMO CCN1CCC([N@@H+]2CCCN(c3cc(C)c([N+](=O)[O-])cc3F)CC2)CC1 ZINC000420632026 500480615 /nfs/dbraw/zinc/48/06/15/500480615.db2.gz WDPHTYQDZQWTOG-UHFFFAOYSA-N 1 1 364.465 3.039 20 5 FGBDMO CCN1CCC([N@H+]2CCCN(c3cc(C)c([N+](=O)[O-])cc3F)CC2)CC1 ZINC000420632026 500480616 /nfs/dbraw/zinc/48/06/16/500480616.db2.gz WDPHTYQDZQWTOG-UHFFFAOYSA-N 1 1 364.465 3.039 20 5 FGBDMO C[C@@H]1C[N@@H+](CCCNc2ccc(Br)cc2[N+](=O)[O-])CCCO1 ZINC000432855920 500578661 /nfs/dbraw/zinc/57/86/61/500578661.db2.gz XSXDFZUUMZJXDG-GFCCVEGCSA-N 1 1 372.263 3.270 20 5 FGBDMO CCc1ccc([C@@H]([NH2+]CC2([S@@](C)=O)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000442800044 500627660 /nfs/dbraw/zinc/62/76/60/500627660.db2.gz JOENBPFSVISWAY-SSOJOUAXSA-N 1 1 362.451 3.340 20 5 FGBDMO Cc1c[nH+]ccc1OC1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000447689667 500646559 /nfs/dbraw/zinc/64/65/59/500646559.db2.gz RUFLPQNRKFVGMU-UHFFFAOYSA-N 1 1 365.393 3.289 20 5 FGBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC000448193799 500731442 /nfs/dbraw/zinc/73/14/42/500731442.db2.gz OLJKYNHSGOZJRG-DGCLKSJQSA-N 1 1 371.359 3.170 20 5 FGBDMO CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000433776733 500742402 /nfs/dbraw/zinc/74/24/02/500742402.db2.gz ZSLMGYKTQZIQHK-BBRMVZONSA-N 1 1 361.833 3.167 20 5 FGBDMO CC[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1CCCC[C@H]1C ZINC000444674177 500877166 /nfs/dbraw/zinc/87/71/66/500877166.db2.gz JTOSWFTVSTXNFO-OCCSQVGLSA-N 1 1 363.414 3.163 20 5 FGBDMO C[N@@H+](CC1(c2ccccc2)CC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000444686924 500878718 /nfs/dbraw/zinc/87/87/18/500878718.db2.gz UKKJVJFHJMACRN-IBGZPJMESA-N 1 1 365.433 3.364 20 5 FGBDMO COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444712627 500884906 /nfs/dbraw/zinc/88/49/06/500884906.db2.gz WOVHFSQHZLSLLY-INIZCTEOSA-N 1 1 354.410 3.161 20 5 FGBDMO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000434900569 500909618 /nfs/dbraw/zinc/90/96/18/500909618.db2.gz NVSOWJRBVFGONR-HNAYVOBHSA-N 1 1 365.433 3.362 20 5 FGBDMO C[C@@H]1CN(CC[N@@H+](C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](C)O1 ZINC000435039739 500925382 /nfs/dbraw/zinc/92/53/82/500925382.db2.gz IMZPYEMEMXHHRN-IYBDPMFKSA-N 1 1 373.453 3.396 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000439869356 500948337 /nfs/dbraw/zinc/94/83/37/500948337.db2.gz JCAQYLOHOKFYAC-UONOGXRCSA-N 1 1 364.446 3.235 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000435386584 500965317 /nfs/dbraw/zinc/96/53/17/500965317.db2.gz XKLRYIUWBQZRNQ-VUCTXSBTSA-N 1 1 357.410 3.033 20 5 FGBDMO COc1ccc(-c2ccc(CN3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000435386584 500965319 /nfs/dbraw/zinc/96/53/19/500965319.db2.gz XKLRYIUWBQZRNQ-VUCTXSBTSA-N 1 1 357.410 3.033 20 5 FGBDMO CC[C@@H](CO)[N@@H+](C)Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000449374722 500989171 /nfs/dbraw/zinc/98/91/71/500989171.db2.gz CDZPOTPCAUXZJN-KRWDZBQOSA-N 1 1 374.437 3.385 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@H](OC)[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000449493544 501016467 /nfs/dbraw/zinc/01/64/67/501016467.db2.gz FBAHNYXQQKKPED-GWCFXTLKSA-N 1 1 360.357 3.062 20 5 FGBDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)NCCc1ccccc1 ZINC000449581086 501037827 /nfs/dbraw/zinc/03/78/27/501037827.db2.gz XAPLIOZJGXSVAW-ZDUSSCGKSA-N 1 1 361.829 3.085 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000446103005 501075278 /nfs/dbraw/zinc/07/52/78/501075278.db2.gz LPKCENRPQMATKI-YPMHNXCESA-N 1 1 353.850 3.407 20 5 FGBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436336836 501110100 /nfs/dbraw/zinc/11/01/00/501110100.db2.gz IHHCNDJCUNVNFI-AWEZNQCLSA-N 1 1 351.450 3.141 20 5 FGBDMO COc1cc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)ccc1SC ZINC000446846297 501172620 /nfs/dbraw/zinc/17/26/20/501172620.db2.gz XRBGPVBPFCMGAO-UHFFFAOYSA-N 1 1 358.423 3.491 20 5 FGBDMO C[C@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[N@H+](C2CCC2)C1 ZINC000455338460 501275642 /nfs/dbraw/zinc/27/56/42/501275642.db2.gz SSIAZQISDLGSPL-GFCCVEGCSA-N 1 1 350.394 3.072 20 5 FGBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC000451367458 501276111 /nfs/dbraw/zinc/27/61/11/501276111.db2.gz KDYMHGVHPYMOBB-KUNIGPEISA-N 1 1 371.437 3.074 20 5 FGBDMO CCS(=O)(=O)CCCCC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451552722 501321424 /nfs/dbraw/zinc/32/14/24/501321424.db2.gz XGRDVEVCUGKWEU-KRWDZBQOSA-N 1 1 368.499 3.379 20 5 FGBDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCC[C@H](c3ccc([N+](=O)[O-])cc3)C1)C2 ZINC000452841416 501572122 /nfs/dbraw/zinc/57/21/22/501572122.db2.gz HCSURNMIVPOPMT-SJORKVTESA-N 1 1 368.437 3.068 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000456979171 501629030 /nfs/dbraw/zinc/62/90/30/501629030.db2.gz BGLXABMCHOZROG-KBXCAEBGSA-N 1 1 371.462 3.249 20 5 FGBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000457097186 501649833 /nfs/dbraw/zinc/64/98/33/501649833.db2.gz RQVASMRCQZDPJG-CYBMUJFWSA-N 1 1 359.348 3.168 20 5 FGBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000457114199 501652650 /nfs/dbraw/zinc/65/26/50/501652650.db2.gz KKBVFWYROOHBKX-OAHLLOKOSA-N 1 1 374.466 3.273 20 5 FGBDMO C[N@@H+](CCCCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000457172274 501661716 /nfs/dbraw/zinc/66/17/16/501661716.db2.gz UIJQFHPPYQZIGK-UHFFFAOYSA-N 1 1 359.348 3.218 20 5 FGBDMO C[N@H+]1CCC[C@H](CCNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000459516843 501667961 /nfs/dbraw/zinc/66/79/61/501667961.db2.gz DTORTJTYBXUWRF-LLVKDONJSA-N 1 1 374.363 3.467 20 5 FGBDMO CC1(C)Cc2ccsc2C[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000459583367 501681332 /nfs/dbraw/zinc/68/13/32/501681332.db2.gz PCTQKXPPMWCFSZ-AWEZNQCLSA-N 1 1 362.451 3.233 20 5 FGBDMO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000459760037 501710122 /nfs/dbraw/zinc/71/01/22/501710122.db2.gz JKXMKBMRKZGKCI-AWEZNQCLSA-N 1 1 359.401 3.260 20 5 FGBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC3(CCCCC3)[C@H]2c2ccccc2)c1 ZINC000459760221 501710213 /nfs/dbraw/zinc/71/02/13/501710213.db2.gz WPYFPYFTZYOBEG-RTBURBONSA-N 1 1 370.453 3.160 20 5 FGBDMO O=[N+]([O-])c1cccc(Br)c1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000596119329 506269158 /nfs/dbraw/zinc/26/91/58/506269158.db2.gz CINNRAHLDAJCNX-GFCCVEGCSA-N 1 1 354.248 3.422 20 5 FGBDMO COC(=O)COc1ccc([C@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000467182220 501729244 /nfs/dbraw/zinc/72/92/44/501729244.db2.gz MXTYEKGLRCWDFC-NSHDSACASA-N 1 1 350.396 3.059 20 5 FGBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467218182 501741921 /nfs/dbraw/zinc/74/19/21/501741921.db2.gz NWXQIFPFOYHEEG-STQMWFEESA-N 1 1 368.865 3.168 20 5 FGBDMO O=C1CCCN1C[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602717657 506271850 /nfs/dbraw/zinc/27/18/50/506271850.db2.gz IMEBEBDUCOPCSL-LBPRGKRZSA-N 1 1 371.359 3.058 20 5 FGBDMO COc1cc(NCC[N@@H+](C)Cc2ccc(F)cc2)c([N+](=O)[O-])cc1F ZINC000467781657 501871002 /nfs/dbraw/zinc/87/10/02/501871002.db2.gz BLPOTSJMMXZMSV-UHFFFAOYSA-N 1 1 351.353 3.426 20 5 FGBDMO O=[N+]([O-])c1ccc(CCN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000471026074 501895138 /nfs/dbraw/zinc/89/51/38/501895138.db2.gz SYCWMSWIXKXZQG-BGYRXZFFSA-N 1 1 351.450 3.201 20 5 FGBDMO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000485756966 501926390 /nfs/dbraw/zinc/92/63/90/501926390.db2.gz GZOLSTVYMOTELI-HZPDHXFCSA-N 1 1 363.458 3.367 20 5 FGBDMO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000485756966 501926393 /nfs/dbraw/zinc/92/63/93/501926393.db2.gz GZOLSTVYMOTELI-HZPDHXFCSA-N 1 1 363.458 3.367 20 5 FGBDMO COC(=O)c1c(Cl)c(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000596157320 506285150 /nfs/dbraw/zinc/28/51/50/506285150.db2.gz YFFANKOTKYIOFO-UWVGGRQHSA-N 1 1 353.806 3.072 20 5 FGBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000468470122 502068322 /nfs/dbraw/zinc/06/83/22/502068322.db2.gz OUIXUIGARFNABG-AWEZNQCLSA-N 1 1 371.384 3.046 20 5 FGBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000468488425 502078533 /nfs/dbraw/zinc/07/85/33/502078533.db2.gz PMFJACSORRMKHJ-SFHVURJKSA-N 1 1 374.485 3.045 20 5 FGBDMO Cc1c(CNC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000478764735 502079962 /nfs/dbraw/zinc/07/99/62/502079962.db2.gz AMCVTLUYDQZXEP-GASCZTMLSA-N 1 1 362.474 3.070 20 5 FGBDMO CO[C@]1(C)C[C@@H]([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1(C)C ZINC000464827304 502109096 /nfs/dbraw/zinc/10/90/96/502109096.db2.gz HBURJQIORSHENM-VQIMIIECSA-N 1 1 363.458 3.367 20 5 FGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000602782208 506295909 /nfs/dbraw/zinc/29/59/09/506295909.db2.gz VYBIZPYXHPNZCG-QFBILLFUSA-N 1 1 371.485 3.085 20 5 FGBDMO Cc1ncc([N+](=O)[O-])n1CCN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000602782208 506295918 /nfs/dbraw/zinc/29/59/18/506295918.db2.gz VYBIZPYXHPNZCG-QFBILLFUSA-N 1 1 371.485 3.085 20 5 FGBDMO Cc1ncc([N+](=O)[O-])n1CCN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000602782208 506295927 /nfs/dbraw/zinc/29/59/27/506295927.db2.gz VYBIZPYXHPNZCG-QFBILLFUSA-N 1 1 371.485 3.085 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+]2CC=C(C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000475723579 502264701 /nfs/dbraw/zinc/26/47/01/502264701.db2.gz YHBFZXQBMKVPNJ-UHFFFAOYSA-N 1 1 362.426 3.325 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000483106769 502275380 /nfs/dbraw/zinc/27/53/80/502275380.db2.gz PGTMNFKVUFAMRL-OAHLLOKOSA-N 1 1 357.385 3.470 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000483106769 502275387 /nfs/dbraw/zinc/27/53/87/502275387.db2.gz PGTMNFKVUFAMRL-OAHLLOKOSA-N 1 1 357.385 3.470 20 5 FGBDMO Cn1cc(C[NH2+][C@@H](COCc2ccccc2)c2ccccc2)c([N+](=O)[O-])n1 ZINC000602803845 506305676 /nfs/dbraw/zinc/30/56/76/506305676.db2.gz FCEDFZMFPKYOOF-IBGZPJMESA-N 1 1 366.421 3.376 20 5 FGBDMO C[C@H]1[C@H](Cc2ccccc2)CC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000472318308 502313597 /nfs/dbraw/zinc/31/35/97/502313597.db2.gz SHSUWWHMYXSYDG-RDJZCZTQSA-N 1 1 353.422 3.486 20 5 FGBDMO C[C@]1(c2ccc(F)cc2)CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000483428195 502388519 /nfs/dbraw/zinc/38/85/19/502388519.db2.gz CBBVYIJDNNWGEF-PXNSSMCTSA-N 1 1 374.412 3.137 20 5 FGBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000487246902 502400721 /nfs/dbraw/zinc/40/07/21/502400721.db2.gz ZXDLKMNDRRKLFB-UHFFFAOYSA-N 1 1 373.384 3.050 20 5 FGBDMO C[C@H]1CC[N@@H+](C)CCN1c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000462496184 502464462 /nfs/dbraw/zinc/46/44/62/502464462.db2.gz SPVRVOODSQSQGC-HNNXBMFYSA-N 1 1 356.426 3.099 20 5 FGBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000480171437 502490067 /nfs/dbraw/zinc/49/00/67/502490067.db2.gz QSHQPYWFMPTRRV-KRWDZBQOSA-N 1 1 357.458 3.442 20 5 FGBDMO CNc1c(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000462757036 502559653 /nfs/dbraw/zinc/55/96/53/502559653.db2.gz ASAULSXRYZCBME-ZIAGYGMSSA-N 1 1 360.458 3.019 20 5 FGBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000488073966 502619345 /nfs/dbraw/zinc/61/93/45/502619345.db2.gz MQPARTKIHCEQRO-GJZGRUSLSA-N 1 1 362.474 3.250 20 5 FGBDMO COCC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCC[C@@H]1C ZINC000488110784 502629634 /nfs/dbraw/zinc/62/96/34/502629634.db2.gz QRESVQYNXAIUOQ-BBRMVZONSA-N 1 1 360.414 3.282 20 5 FGBDMO COc1ccc(C(=O)NCC[N@@H+]2CC=C(C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000476954629 502631969 /nfs/dbraw/zinc/63/19/69/502631969.db2.gz RUUXFSSPBLWQKV-UHFFFAOYSA-N 1 1 361.442 3.011 20 5 FGBDMO Cc1cc(NC(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000480682324 502641655 /nfs/dbraw/zinc/64/16/55/502641655.db2.gz JEVSWVSXDBIWPO-UHFFFAOYSA-N 1 1 354.410 3.251 20 5 FGBDMO O=C(C[N@@H+]1CCC[C@@]2(CCCOC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000477052732 502663721 /nfs/dbraw/zinc/66/37/21/502663721.db2.gz WNMNRYBVJLRTSF-QGZVFWFLSA-N 1 1 367.833 3.079 20 5 FGBDMO O=C(C[N@H+]1CCC[C@@]2(CCCOC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000477052732 502663722 /nfs/dbraw/zinc/66/37/22/502663722.db2.gz WNMNRYBVJLRTSF-QGZVFWFLSA-N 1 1 367.833 3.079 20 5 FGBDMO C[C@H](CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000470139268 502674888 /nfs/dbraw/zinc/67/48/88/502674888.db2.gz ZYQPINPEBYIKHC-CYBMUJFWSA-N 1 1 360.389 3.376 20 5 FGBDMO C[N@@H+](CCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000470154221 502682231 /nfs/dbraw/zinc/68/22/31/502682231.db2.gz ZPHGOQUZRSNSPM-UHFFFAOYSA-N 1 1 364.352 3.127 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2cccnc2)C1 ZINC000602851599 506328156 /nfs/dbraw/zinc/32/81/56/506328156.db2.gz AQCVDNPGFJTXKK-ZBFHGGJFSA-N 1 1 354.410 3.196 20 5 FGBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](c2cccnc2)C1 ZINC000602851599 506328159 /nfs/dbraw/zinc/32/81/59/506328159.db2.gz AQCVDNPGFJTXKK-ZBFHGGJFSA-N 1 1 354.410 3.196 20 5 FGBDMO CNC(=O)c1ccc(C[N@@H+](C)C/C(C)=C\c2cccc([N+](=O)[O-])c2)cc1 ZINC000470172763 502693487 /nfs/dbraw/zinc/69/34/87/502693487.db2.gz BNKTUPPFEPIWCK-PTNGSMBKSA-N 1 1 353.422 3.490 20 5 FGBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(Cc2ccccn2)CC1 ZINC000470176497 502696290 /nfs/dbraw/zinc/69/62/90/502696290.db2.gz WTTQNWPTICBXPU-GHRIWEEISA-N 1 1 352.438 3.211 20 5 FGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CC(C)(C)CN1CCOCC1 ZINC000470177413 502696572 /nfs/dbraw/zinc/69/65/72/502696572.db2.gz CPWSKYKOEJGOIN-ATVHPVEESA-N 1 1 361.486 3.288 20 5 FGBDMO CC1(C)CCC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000470294673 502727958 /nfs/dbraw/zinc/72/79/58/502727958.db2.gz FFXPWJBBUWCPPA-UHFFFAOYSA-N 1 1 371.384 3.048 20 5 FGBDMO CC[N@@H+](Cc1ccc(OC)cc1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000488490434 502730985 /nfs/dbraw/zinc/73/09/85/502730985.db2.gz GZDNEIKTCYKKGU-LJQANCHMSA-N 1 1 369.421 3.231 20 5 FGBDMO Cc1cc(N2CC[C@]3(CC[N@H+](C)C3)C2)c(Br)cc1[N+](=O)[O-] ZINC000488752967 502802307 /nfs/dbraw/zinc/80/23/07/502802307.db2.gz ZBFOPSKPKHKSHT-HNNXBMFYSA-N 1 1 354.248 3.198 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+]2CCC=C(c3ccco3)C2)cc1[N+](=O)[O-] ZINC000582633240 506335605 /nfs/dbraw/zinc/33/56/05/506335605.db2.gz LTTNWPDPYGLHDW-UHFFFAOYSA-N 1 1 372.377 3.029 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CCC=C(c3ccco3)C2)cc1[N+](=O)[O-] ZINC000582633240 506335614 /nfs/dbraw/zinc/33/56/14/506335614.db2.gz LTTNWPDPYGLHDW-UHFFFAOYSA-N 1 1 372.377 3.029 20 5 FGBDMO COCc1cc([N+](=O)[O-])ccc1NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000474151062 502815723 /nfs/dbraw/zinc/81/57/23/502815723.db2.gz PRTQVPDGRMDQLK-UHFFFAOYSA-N 1 1 371.437 3.186 20 5 FGBDMO CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)NCc1ccc(F)cc1 ZINC000505636352 502955646 /nfs/dbraw/zinc/95/56/46/502955646.db2.gz NMWNWNMGNLDJBM-ALCCZGGFSA-N 1 1 371.412 3.385 20 5 FGBDMO CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)NCc1ccc(F)cc1 ZINC000505636352 502955649 /nfs/dbraw/zinc/95/56/49/502955649.db2.gz NMWNWNMGNLDJBM-ALCCZGGFSA-N 1 1 371.412 3.385 20 5 FGBDMO CCC[N@@H+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccc(Cl)cc1 ZINC000513595803 502974998 /nfs/dbraw/zinc/97/49/98/502974998.db2.gz SLGSEZSIAIJNQW-MRXNPFEDSA-N 1 1 364.833 3.389 20 5 FGBDMO Cc1ccc(NC(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000501711523 503065790 /nfs/dbraw/zinc/06/57/90/503065790.db2.gz SESKVCLZCNXVKL-UHFFFAOYSA-N 1 1 368.437 3.473 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000514089346 503084452 /nfs/dbraw/zinc/08/44/52/503084452.db2.gz OXSLQGHGZVWHMJ-IEBWSBKVSA-N 1 1 364.405 3.011 20 5 FGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000510405959 503107179 /nfs/dbraw/zinc/10/71/79/503107179.db2.gz JHTBPHHFXQMIGS-INIZCTEOSA-N 1 1 352.394 3.270 20 5 FGBDMO CCN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000501955242 503116093 /nfs/dbraw/zinc/11/60/93/503116093.db2.gz KSTNDTYKGVJGPB-ZBFHGGJFSA-N 1 1 356.426 3.221 20 5 FGBDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000506602667 503141305 /nfs/dbraw/zinc/14/13/05/503141305.db2.gz XYKKSWLANJKTEM-UONOGXRCSA-N 1 1 351.422 3.251 20 5 FGBDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000506602667 503141310 /nfs/dbraw/zinc/14/13/10/503141310.db2.gz XYKKSWLANJKTEM-UONOGXRCSA-N 1 1 351.422 3.251 20 5 FGBDMO CC(C)[C@@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000490296169 503149451 /nfs/dbraw/zinc/14/94/51/503149451.db2.gz FPLFJNNLXKWMEB-AWEZNQCLSA-N 1 1 371.890 3.139 20 5 FGBDMO CCOC(=O)Cc1ccc(NC[C@@H]2CC[N@H+]2C2CCCC2)c([N+](=O)[O-])c1 ZINC000599164746 506355175 /nfs/dbraw/zinc/35/51/75/506355175.db2.gz LPLYDISOKBDBPY-INIZCTEOSA-N 1 1 361.442 3.129 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@@H]3CCCC[C@H]3OC(F)F)n2)c1 ZINC000502498661 503211575 /nfs/dbraw/zinc/21/15/75/503211575.db2.gz WFMSQHRDJYZICV-CHWSQXEVSA-N 1 1 368.340 3.285 20 5 FGBDMO Cc1ccccc1[C@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000507163902 503242269 /nfs/dbraw/zinc/24/22/69/503242269.db2.gz HNYSICKJEZCYGP-WMZOPIPTSA-N 1 1 356.422 3.132 20 5 FGBDMO Cc1ccccc1[C@]1(F)CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000502907873 503305657 /nfs/dbraw/zinc/30/56/57/503305657.db2.gz VBKYASCJWSAYGP-PXNSSMCTSA-N 1 1 374.412 3.214 20 5 FGBDMO Cc1ccccc1[C@]1(F)CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000502907873 503305660 /nfs/dbraw/zinc/30/56/60/503305660.db2.gz VBKYASCJWSAYGP-PXNSSMCTSA-N 1 1 374.412 3.214 20 5 FGBDMO CCOc1cc(C(=O)Nc2cc(C)c3[nH+]ccn3c2)c([N+](=O)[O-])cc1OC ZINC000502963549 503315252 /nfs/dbraw/zinc/31/52/52/503315252.db2.gz ZTRQXVFGQNCOII-UHFFFAOYSA-N 1 1 370.365 3.211 20 5 FGBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000515334757 503317069 /nfs/dbraw/zinc/31/70/69/503317069.db2.gz OHIWKSMQJTWREF-LLVKDONJSA-N 1 1 372.263 3.208 20 5 FGBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000511423217 503318772 /nfs/dbraw/zinc/31/87/72/503318772.db2.gz XNIGZSVHWBKZMK-KRWDZBQOSA-N 1 1 362.474 3.043 20 5 FGBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000511441930 503323368 /nfs/dbraw/zinc/32/33/68/503323368.db2.gz VZOBZYKHBGPBRS-IYBDPMFKSA-N 1 1 362.474 3.042 20 5 FGBDMO CCOc1cc(CN2CC[NH+](Cc3cccs3)CC2)ccc1[N+](=O)[O-] ZINC000492536687 503373711 /nfs/dbraw/zinc/37/37/11/503373711.db2.gz NOWIBPKXBRFJSR-UHFFFAOYSA-N 1 1 361.467 3.373 20 5 FGBDMO CCNc1ccc(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000511709978 503373837 /nfs/dbraw/zinc/37/38/37/503373837.db2.gz ZCAZKYUZJRJSLH-HOCLYGCPSA-N 1 1 374.485 3.409 20 5 FGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000503380255 503397912 /nfs/dbraw/zinc/39/79/12/503397912.db2.gz WAEMESJXCRQPMT-MRXNPFEDSA-N 1 1 370.453 3.386 20 5 FGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000503380253 503398142 /nfs/dbraw/zinc/39/81/42/503398142.db2.gz WAEMESJXCRQPMT-INIZCTEOSA-N 1 1 370.453 3.386 20 5 FGBDMO CC[N@@H+](Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000593068693 506371830 /nfs/dbraw/zinc/37/18/30/506371830.db2.gz GLGQGLAQRATOTJ-ZDUSSCGKSA-N 1 1 374.384 3.248 20 5 FGBDMO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593069110 506373259 /nfs/dbraw/zinc/37/32/59/506373259.db2.gz RVTVLTODYGBODJ-HNNXBMFYSA-N 1 1 371.412 3.009 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593069110 506373265 /nfs/dbraw/zinc/37/32/65/506373265.db2.gz RVTVLTODYGBODJ-HNNXBMFYSA-N 1 1 371.412 3.009 20 5 FGBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000499714478 503464827 /nfs/dbraw/zinc/46/48/27/503464827.db2.gz OKZFPKGKEBPNSN-AWEZNQCLSA-N 1 1 351.472 3.068 20 5 FGBDMO COc1cc(NCC[N@@H+](C)Cc2ccc(F)cc2)c(F)cc1[N+](=O)[O-] ZINC000508263438 503464976 /nfs/dbraw/zinc/46/49/76/503464976.db2.gz MQKNMOFWODPFJN-UHFFFAOYSA-N 1 1 351.353 3.426 20 5 FGBDMO COc1ccc(OCC[N@@H+]2CCOc3ccc(C)cc3C2)c([N+](=O)[O-])c1 ZINC000512165527 503474403 /nfs/dbraw/zinc/47/44/03/503474403.db2.gz LNJKLVOJKBOHKS-UHFFFAOYSA-N 1 1 358.394 3.185 20 5 FGBDMO COc1ccc(OCC[N@H+]2CCOc3ccc(C)cc3C2)c([N+](=O)[O-])c1 ZINC000512165527 503474410 /nfs/dbraw/zinc/47/44/10/503474410.db2.gz LNJKLVOJKBOHKS-UHFFFAOYSA-N 1 1 358.394 3.185 20 5 FGBDMO COC(=O)[C@]1(C)C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000504568918 503590547 /nfs/dbraw/zinc/59/05/47/503590547.db2.gz WMRLSJCNLBNMFY-BFUOFWGJSA-N 1 1 358.394 3.486 20 5 FGBDMO Cc1ccc(N2CCC(Nc3ncnc4cccc([N+](=O)[O-])c43)CC2)[nH+]c1 ZINC000509058099 503631947 /nfs/dbraw/zinc/63/19/47/503631947.db2.gz RGFMMWWRJHCEEA-UHFFFAOYSA-N 1 1 364.409 3.322 20 5 FGBDMO Cc1ccnc([C@H]2CC[N@H+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)c1 ZINC000516979725 503637026 /nfs/dbraw/zinc/63/70/26/503637026.db2.gz QCIYXYSGDGMSTP-HNNXBMFYSA-N 1 1 354.410 3.035 20 5 FGBDMO Cc1ccnc([C@H]2CC[N@@H+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)c1 ZINC000516979725 503637029 /nfs/dbraw/zinc/63/70/29/503637029.db2.gz QCIYXYSGDGMSTP-HNNXBMFYSA-N 1 1 354.410 3.035 20 5 FGBDMO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000543205960 503678232 /nfs/dbraw/zinc/67/82/32/503678232.db2.gz FFMXUPQDBUBSGM-PBHICJAKSA-N 1 1 354.472 3.269 20 5 FGBDMO CC[C@@H](C)[C@@H]1CCCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000543205960 503678237 /nfs/dbraw/zinc/67/82/37/503678237.db2.gz FFMXUPQDBUBSGM-PBHICJAKSA-N 1 1 354.472 3.269 20 5 FGBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccc(F)cc1 ZINC000533222296 503767330 /nfs/dbraw/zinc/76/73/30/503767330.db2.gz PKECMFLROUEGSY-UHFFFAOYSA-N 1 1 359.357 3.164 20 5 FGBDMO Cc1c(Br)c(N2CC[C@H]([NH+]3CCCCC3)C2)ncc1[N+](=O)[O-] ZINC000543436748 503770319 /nfs/dbraw/zinc/77/03/19/503770319.db2.gz RBCTXSXKCHYXQA-LBPRGKRZSA-N 1 1 369.263 3.125 20 5 FGBDMO 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C[C@H]1c2ccc(F)cc2CC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612079652 506424095 /nfs/dbraw/zinc/42/40/95/506424095.db2.gz WXALKMUPAIHZOI-XJKSGUPXSA-N 1 1 360.385 3.093 20 5 FGBDMO O=[N+]([O-])c1cccc2c1ccnc2N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000596513685 506442252 /nfs/dbraw/zinc/44/22/52/506442252.db2.gz CNLWFCSPXFQKSC-QZTJIDSGSA-N 1 1 368.437 3.198 20 5 FGBDMO C[C@@H]1[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@@H](C)C[N@H+]1C ZINC000593191251 506454521 /nfs/dbraw/zinc/45/45/21/506454521.db2.gz WUHHOMDDJHRZCQ-AXFHLTTASA-N 1 1 359.348 3.167 20 5 FGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(C(=O)NC2CC2)cc1 ZINC000589184984 506472664 /nfs/dbraw/zinc/47/26/64/506472664.db2.gz IRRITPWBSNOETF-UHFFFAOYSA-N 1 1 353.422 3.162 20 5 FGBDMO CC(C)c1ccc(CN(C)CC[N@@H+](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000589195409 506479013 /nfs/dbraw/zinc/47/90/13/506479013.db2.gz UKUXXNQIIDQLMX-UHFFFAOYSA-N 1 1 362.518 3.176 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c([N+](=O)[O-])cc1OC ZINC000589200128 506482152 /nfs/dbraw/zinc/48/21/52/506482152.db2.gz RRCVVAPHTXSANC-LSDHHAIUSA-N 1 1 364.442 3.251 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000599587118 506513430 /nfs/dbraw/zinc/51/34/30/506513430.db2.gz CRLGWPJLQUMALD-DZGCQCFKSA-N 1 1 364.442 3.403 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000599587118 506513436 /nfs/dbraw/zinc/51/34/36/506513436.db2.gz CRLGWPJLQUMALD-DZGCQCFKSA-N 1 1 364.442 3.403 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000599587119 506513680 /nfs/dbraw/zinc/51/36/80/506513680.db2.gz CRLGWPJLQUMALD-HIFRSBDPSA-N 1 1 364.442 3.403 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000599587119 506513687 /nfs/dbraw/zinc/51/36/87/506513687.db2.gz CRLGWPJLQUMALD-HIFRSBDPSA-N 1 1 364.442 3.403 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599593301 506518707 /nfs/dbraw/zinc/51/87/07/506518707.db2.gz ASSASQSHXDPGLH-XJKSGUPXSA-N 1 1 364.442 3.403 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599593301 506518710 /nfs/dbraw/zinc/51/87/10/506518710.db2.gz ASSASQSHXDPGLH-XJKSGUPXSA-N 1 1 364.442 3.403 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000596676870 506526304 /nfs/dbraw/zinc/52/63/04/506526304.db2.gz HOKAQHUQSQJMJT-OAHLLOKOSA-N 1 1 360.458 3.142 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593419159 506610176 /nfs/dbraw/zinc/61/01/76/506610176.db2.gz PPYNWAWTKFCHRL-OKILXGFUSA-N 1 1 365.449 3.149 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599834326 506666348 /nfs/dbraw/zinc/66/63/48/506666348.db2.gz HDONOIDCELMPPZ-GFCCVEGCSA-N 1 1 357.414 3.137 20 5 FGBDMO Cc1ccc(CNc2c3ccccc3ncc2[N+](=O)[O-])c(N2CCCC2)[nH+]1 ZINC000589865118 506667098 /nfs/dbraw/zinc/66/70/98/506667098.db2.gz ODDSEEOMKOLGTI-UHFFFAOYSA-N 1 1 363.421 3.481 20 5 FGBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCC1)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599835654 506668074 /nfs/dbraw/zinc/66/80/74/506668074.db2.gz YEBPNKMLOSKZAH-CQSZACIVSA-N 1 1 369.425 3.281 20 5 FGBDMO C[N@H+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])[C@H](Cc2ccccc2)C1 ZINC000593679915 506727026 /nfs/dbraw/zinc/72/70/26/506727026.db2.gz QUQCVJJRQOWMEI-WUTDNEBXSA-N 1 1 351.450 3.467 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cccc(OC4CC4)c3F)C2)nc1 ZINC000597016065 506733754 /nfs/dbraw/zinc/73/37/54/506733754.db2.gz ZVDDDIYGDGNTFU-CQSZACIVSA-N 1 1 372.400 3.357 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cccc(OC4CC4)c3F)C2)nc1 ZINC000597016065 506733761 /nfs/dbraw/zinc/73/37/61/506733761.db2.gz ZVDDDIYGDGNTFU-CQSZACIVSA-N 1 1 372.400 3.357 20 5 FGBDMO COc1cc(C[NH2+]Cc2cccnc2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000600201480 506840905 /nfs/dbraw/zinc/84/09/05/506840905.db2.gz NOZGTEQIDUBXOY-UHFFFAOYSA-N 1 1 367.352 3.241 20 5 FGBDMO CC(C)(CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)C1CC1 ZINC000593945680 506841922 /nfs/dbraw/zinc/84/19/22/506841922.db2.gz WIFCWGDNFBBVHJ-UHFFFAOYSA-N 1 1 351.472 3.240 20 5 FGBDMO C[C@H](C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000600231046 506862216 /nfs/dbraw/zinc/86/22/16/506862216.db2.gz ZZWVZSIDPORYEQ-BBRMVZONSA-N 1 1 363.433 3.361 20 5 FGBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000604537878 506866785 /nfs/dbraw/zinc/86/67/85/506866785.db2.gz MDUUPIUMPHOGTB-INIZCTEOSA-N 1 1 365.499 3.458 20 5 FGBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000609540629 506914812 /nfs/dbraw/zinc/91/48/12/506914812.db2.gz RJXDCXSCTVCFCG-IBGZPJMESA-N 1 1 369.421 3.101 20 5 FGBDMO CC[C@@H]1c2ccccc2CC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000609625705 506952657 /nfs/dbraw/zinc/95/26/57/506952657.db2.gz QCLWXLIVNCUZBT-FXAWDEMLSA-N 1 1 356.422 3.344 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000600470891 506962810 /nfs/dbraw/zinc/96/28/10/506962810.db2.gz JMYWRXUWKOUAEK-XJKSGUPXSA-N 1 1 363.483 3.209 20 5 FGBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000600469366 506963260 /nfs/dbraw/zinc/96/32/60/506963260.db2.gz AAJBHDCWCKSVBW-CQSZACIVSA-N 1 1 371.359 3.360 20 5 FGBDMO Cc1ccnc([C@@H]2CC[N@@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000583820667 506993472 /nfs/dbraw/zinc/99/34/72/506993472.db2.gz LTQAILTZYRMVOT-MRXNPFEDSA-N 1 1 368.437 3.425 20 5 FGBDMO C[NH+]1CCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000609774000 506996887 /nfs/dbraw/zinc/99/68/87/506996887.db2.gz NWBTUHGFAWQHPL-UHFFFAOYSA-N 1 1 356.382 3.166 20 5 FGBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000594198643 507002228 /nfs/dbraw/zinc/00/22/28/507002228.db2.gz UDQDEAZXECPPIM-OLZOCXBDSA-N 1 1 371.359 3.360 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594231117 507027617 /nfs/dbraw/zinc/02/76/17/507027617.db2.gz AIUGHQLTALZUOZ-XIRDDKMYSA-N 1 1 360.458 3.280 20 5 FGBDMO COc1ccc(CN2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000609916125 507048525 /nfs/dbraw/zinc/04/85/25/507048525.db2.gz AHFLRAVELNSEJQ-INIZCTEOSA-N 1 1 355.438 3.310 20 5 FGBDMO CC(C)Oc1cc(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000591071271 507101892 /nfs/dbraw/zinc/10/18/92/507101892.db2.gz CFAIFNBOYOKCMV-QGZVFWFLSA-N 1 1 369.421 3.299 20 5 FGBDMO CC(C)Oc1cc(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000591071271 507101893 /nfs/dbraw/zinc/10/18/93/507101893.db2.gz CFAIFNBOYOKCMV-QGZVFWFLSA-N 1 1 369.421 3.299 20 5 FGBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000610238152 507153991 /nfs/dbraw/zinc/15/39/91/507153991.db2.gz VERYVMLOGHBSEG-UHFFFAOYSA-N 1 1 367.449 3.180 20 5 FGBDMO C[C@H](Cc1ccccn1)[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000594514204 507164220 /nfs/dbraw/zinc/16/42/20/507164220.db2.gz HXKRLBQWTPAWOD-RDTXWAMCSA-N 1 1 351.410 3.034 20 5 FGBDMO COc1cc(C[NH2+][C@H]2CCOc3c(OC)cccc32)c([N+](=O)[O-])cc1OC ZINC000594523323 507171715 /nfs/dbraw/zinc/17/17/15/507171715.db2.gz PUYIDZOTACMPGY-AWEZNQCLSA-N 1 1 374.393 3.234 20 5 FGBDMO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597922475 507175792 /nfs/dbraw/zinc/17/57/92/507175792.db2.gz DEGYSXRLJZOJMP-YPMHNXCESA-N 1 1 369.849 3.005 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000597924893 507178551 /nfs/dbraw/zinc/17/85/51/507178551.db2.gz UOUZLGLSESVREK-LBPRGKRZSA-N 1 1 359.348 3.216 20 5 FGBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000610446424 507243122 /nfs/dbraw/zinc/24/31/22/507243122.db2.gz YMOMRCZTUWGOKJ-MRXNPFEDSA-N 1 1 353.422 3.331 20 5 FGBDMO O=[N+]([O-])c1ccc2oc(C[N@H+](CCO)[C@H]3CCc4ccccc43)nc2c1 ZINC000610581702 507302916 /nfs/dbraw/zinc/30/29/16/507302916.db2.gz DGKBLXDWEPYCDY-KRWDZBQOSA-N 1 1 353.378 3.218 20 5 FGBDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000598195142 507307888 /nfs/dbraw/zinc/30/78/88/507307888.db2.gz LCPSLQWWAMZXHG-KRWDZBQOSA-N 1 1 371.412 3.123 20 5 FGBDMO Cc1[nH+]ccn1CCCN(C)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601354678 507342627 /nfs/dbraw/zinc/34/26/27/507342627.db2.gz DMBZPWMHEKYCLT-UHFFFAOYSA-N 1 1 356.426 3.070 20 5 FGBDMO CCNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000595008679 507352236 /nfs/dbraw/zinc/35/22/36/507352236.db2.gz QTBUAWQUTYSVRS-ZDUSSCGKSA-N 1 1 357.410 3.204 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000595022566 507358883 /nfs/dbraw/zinc/35/88/83/507358883.db2.gz NKZVUBLSRSTYTL-VIFPVBQESA-N 1 1 358.320 3.207 20 5 FGBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000610712099 507359654 /nfs/dbraw/zinc/35/96/54/507359654.db2.gz QBNQKHMOIHJVML-OAHLLOKOSA-N 1 1 371.412 3.471 20 5 FGBDMO CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595298694 507453189 /nfs/dbraw/zinc/45/31/89/507453189.db2.gz RLLOSJFZDSXIQO-CYBMUJFWSA-N 1 1 351.422 3.107 20 5 FGBDMO O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000598507404 507465427 /nfs/dbraw/zinc/46/54/27/507465427.db2.gz AMCKRDAUZKPKQI-INIZCTEOSA-N 1 1 364.405 3.080 20 5 FGBDMO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000595342666 507466471 /nfs/dbraw/zinc/46/64/71/507466471.db2.gz GAAAAKUDIYSCTJ-QGZVFWFLSA-N 1 1 352.406 3.284 20 5 FGBDMO C[C@@H](C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000598508777 507466550 /nfs/dbraw/zinc/46/65/50/507466550.db2.gz HXJDQVQTEYUIPQ-RHSMWYFYSA-N 1 1 371.412 3.228 20 5 FGBDMO CCC[C@H]1CN(Cc2onc(C)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000595425591 507491356 /nfs/dbraw/zinc/49/13/56/507491356.db2.gz ULIFGBOFEYRXFY-KRWDZBQOSA-N 1 1 358.442 3.378 20 5 FGBDMO C[C@@H]1CC2(C[N@H+]1Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)CCOCC2 ZINC000592182427 507528299 /nfs/dbraw/zinc/52/82/99/507528299.db2.gz ACYCOZHMSZINMV-CYBMUJFWSA-N 1 1 358.398 3.036 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+]3CC[C@@H](C)[C@@H](CO)C3)o2)c([N+](=O)[O-])c1 ZINC000598676221 507547611 /nfs/dbraw/zinc/54/76/11/507547611.db2.gz DXAAOOOYHVPMQV-ZIAGYGMSSA-N 1 1 360.410 3.314 20 5 FGBDMO C[N@H+]1CC[C@@H](CNc2ccncc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000611193839 507556800 /nfs/dbraw/zinc/55/68/00/507556800.db2.gz PEYLWRJOFWRJNJ-SJCJKPOMSA-N 1 1 364.808 3.309 20 5 FGBDMO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H](CO)Cc1ccccc1 ZINC000595593201 507580027 /nfs/dbraw/zinc/58/00/27/507580027.db2.gz SCPVRAPGTXCEMA-LJQANCHMSA-N 1 1 367.405 3.285 20 5 FGBDMO O=C1[C@@H]([NH+]2CCC(c3ccco3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595614816 507591374 /nfs/dbraw/zinc/59/13/74/507591374.db2.gz IRSRRSGPXBMMOK-KRWDZBQOSA-N 1 1 355.394 3.173 20 5 FGBDMO CCS[C@@H]1CCCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611271579 507596677 /nfs/dbraw/zinc/59/66/77/507596677.db2.gz ZWPWVZRTKBWTIS-CQSZACIVSA-N 1 1 352.456 3.474 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](C(C)(C)C(=O)OC)C1 ZINC000611321109 507618889 /nfs/dbraw/zinc/61/88/89/507618889.db2.gz FPTAFSJQMXNXNI-HNNXBMFYSA-N 1 1 364.442 3.405 20 5 FGBDMO C[C@@H](CO)[C@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000595672397 507621209 /nfs/dbraw/zinc/62/12/09/507621209.db2.gz ITSBPWBQBFAROO-SMDDNHRTSA-N 1 1 357.248 3.340 20 5 FGBDMO C[C@@H](CO)[C@H]1CCCC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000595672397 507621219 /nfs/dbraw/zinc/62/12/19/507621219.db2.gz ITSBPWBQBFAROO-SMDDNHRTSA-N 1 1 357.248 3.340 20 5 FGBDMO C[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])[C@@H]1CCO ZINC000595687922 507627746 /nfs/dbraw/zinc/62/77/46/507627746.db2.gz FXGXMIIFTIAYTC-BXUZGUMPSA-N 1 1 357.248 3.340 20 5 FGBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])[C@@H]1CCO ZINC000595687922 507627752 /nfs/dbraw/zinc/62/77/52/507627752.db2.gz FXGXMIIFTIAYTC-BXUZGUMPSA-N 1 1 357.248 3.340 20 5 FGBDMO COc1ccc(OCC[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000611350170 507636513 /nfs/dbraw/zinc/63/65/13/507636513.db2.gz DGUGGHSJRGOSRV-CVEARBPZSA-N 1 1 364.442 3.121 20 5 FGBDMO CC[C@@H]1CN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC[C@@H]1[NH3+] ZINC000592427739 507654148 /nfs/dbraw/zinc/65/41/48/507654148.db2.gz WYKUJWCHYNPNQU-DYVFJYSZSA-N 1 1 359.426 3.423 20 5 FGBDMO CC[C@@H]1CN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC[C@H]1[NH3+] ZINC000592427738 507654236 /nfs/dbraw/zinc/65/42/36/507654236.db2.gz WYKUJWCHYNPNQU-CXAGYDPISA-N 1 1 359.426 3.423 20 5 FGBDMO O=C(CC[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595788861 507685751 /nfs/dbraw/zinc/68/57/51/507685751.db2.gz KBQGSZCYAUNFJS-QAPCUYQASA-N 1 1 361.442 3.205 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c2c(c1)COCO2 ZINC000595791871 507688612 /nfs/dbraw/zinc/68/86/12/507688612.db2.gz XMLPNJPDKIEGLA-RDTXWAMCSA-N 1 1 362.426 3.242 20 5 FGBDMO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000592526576 507696242 /nfs/dbraw/zinc/69/62/42/507696242.db2.gz IBENDTKBSSXMCO-INIZCTEOSA-N 1 1 373.375 3.219 20 5 FGBDMO COc1ccc2[nH]cc(C3=CC[N@H+](Cc4cn(C)nc4[N+](=O)[O-])CC3)c2c1 ZINC000602448430 507712688 /nfs/dbraw/zinc/71/26/88/507712688.db2.gz TXEYIXWFOCHLOE-UHFFFAOYSA-N 1 1 367.409 3.108 20 5 FGBDMO COc1ccc2[nH]cc(C3=CC[N@@H+](Cc4cn(C)nc4[N+](=O)[O-])CC3)c2c1 ZINC000602448430 507712694 /nfs/dbraw/zinc/71/26/94/507712694.db2.gz TXEYIXWFOCHLOE-UHFFFAOYSA-N 1 1 367.409 3.108 20 5 FGBDMO CC[N@@H+](C)C[C@@H]1CCN(Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602480173 507720665 /nfs/dbraw/zinc/72/06/65/507720665.db2.gz UWGAFDCPCXHGBV-JTQLQIEISA-N 1 1 362.293 3.192 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3C[C@]45COC[C@@]4(C3)CCCC5)n2)c1 ZINC000595904567 507735616 /nfs/dbraw/zinc/73/56/16/507735616.db2.gz HBXUOLMKIZGLRK-KDURUIRLSA-N 1 1 370.409 3.037 20 5 FGBDMO CC[N@@H+](C)Cc1cccc(CNCc2nc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000602543329 507744966 /nfs/dbraw/zinc/74/49/66/507744966.db2.gz BEHYUFQTNGXWMX-UHFFFAOYSA-N 1 1 354.410 3.478 20 5 FGBDMO C[C@@H](CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000588104709 507764023 /nfs/dbraw/zinc/76/40/23/507764023.db2.gz XLKHYHNJWFCFSY-HOTGVXAUSA-N 1 1 362.474 3.042 20 5 FGBDMO CC(C)N(C(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000592694669 507767387 /nfs/dbraw/zinc/76/73/87/507767387.db2.gz NFBQJKPFSWILNA-SFHVURJKSA-N 1 1 368.437 3.115 20 5 FGBDMO COC(=O)c1cc([N+](=O)[O-])c(N(C)CCCn2cc[nH+]c2C)cc1Cl ZINC000120204232 700650537 /nfs/dbraw/zinc/65/05/37/700650537.db2.gz AFZITBFMHUHBDY-UHFFFAOYSA-N 1 1 366.805 3.066 20 5 FGBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000128931915 700781215 /nfs/dbraw/zinc/78/12/15/700781215.db2.gz GJEMYWJDRYCEFN-OAHLLOKOSA-N 1 1 351.422 3.427 20 5 FGBDMO O=C(NCC[N@@H+]1CCc2sccc2C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000136602078 704863063 /nfs/dbraw/zinc/86/30/63/704863063.db2.gz QOSNUEXAHJIWAE-UHFFFAOYSA-N 1 1 365.842 3.098 20 5 FGBDMO O=C(NCC[N@H+]1CCc2sccc2C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000136602078 704863070 /nfs/dbraw/zinc/86/30/70/704863070.db2.gz QOSNUEXAHJIWAE-UHFFFAOYSA-N 1 1 365.842 3.098 20 5 FGBDMO CCS[C@H]1CCCC[N@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000153101492 704985123 /nfs/dbraw/zinc/98/51/23/704985123.db2.gz RYZODFRVKONLDF-ZDUSSCGKSA-N 1 1 351.428 3.068 20 5 FGBDMO CCS[C@H]1CCCC[N@@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000153101492 704985128 /nfs/dbraw/zinc/98/51/28/704985128.db2.gz RYZODFRVKONLDF-ZDUSSCGKSA-N 1 1 351.428 3.068 20 5 FGBDMO CCS[C@@H]1CCCC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000172911413 705435433 /nfs/dbraw/zinc/43/54/33/705435433.db2.gz HCYWZNFEJYLXAZ-OAHLLOKOSA-N 1 1 361.471 3.418 20 5 FGBDMO CCS[C@@H]1CCCC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000172911413 705435435 /nfs/dbraw/zinc/43/54/35/705435435.db2.gz HCYWZNFEJYLXAZ-OAHLLOKOSA-N 1 1 361.471 3.418 20 5 FGBDMO CC(C)([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])C(=O)NCC1CCCCC1 ZINC000179608123 705706963 /nfs/dbraw/zinc/70/69/63/705706963.db2.gz LTNBGKRWPNSYEQ-UHFFFAOYSA-N 1 1 351.422 3.299 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000425397718 714016530 /nfs/dbraw/zinc/01/65/30/714016530.db2.gz MNMHQDCQXMXTPG-UHFFFAOYSA-N 1 1 365.231 3.460 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000526127563 714408198 /nfs/dbraw/zinc/40/81/98/714408198.db2.gz AJINFKSOVORPJC-HNNXBMFYSA-N 1 1 359.813 3.473 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000526127563 714408201 /nfs/dbraw/zinc/40/82/01/714408201.db2.gz AJINFKSOVORPJC-HNNXBMFYSA-N 1 1 359.813 3.473 20 5 FGBDMO COCC[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H]1CC[C@@H](C)C1 ZINC000616742546 714597292 /nfs/dbraw/zinc/59/72/92/714597292.db2.gz DLTGWCBKRWPCFE-UKRRQHHQSA-N 1 1 350.415 3.003 20 5 FGBDMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000618546622 714756145 /nfs/dbraw/zinc/75/61/45/714756145.db2.gz QQSMTQNMYVBPHJ-SFHVURJKSA-N 1 1 350.415 3.015 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@](F)(CO)C3)o2)c(Cl)c1 ZINC000619846842 714874981 /nfs/dbraw/zinc/87/49/81/714874981.db2.gz AAQFAIUMIPVIAZ-MRXNPFEDSA-N 1 1 354.765 3.415 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@](F)(CO)C3)o2)c(Cl)c1 ZINC000619846842 714874983 /nfs/dbraw/zinc/87/49/83/714874983.db2.gz AAQFAIUMIPVIAZ-MRXNPFEDSA-N 1 1 354.765 3.415 20 5 FGBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000749927121 722748115 /nfs/dbraw/zinc/74/81/15/722748115.db2.gz QMZHIFOOYKUFFI-LBPRGKRZSA-N 1 1 353.850 3.489 20 5 FGBDMO C[C@@H](c1ccsc1)[NH+]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765088341 723477921 /nfs/dbraw/zinc/47/79/21/723477921.db2.gz SCXFPOHKUJNKNR-KBXCAEBGSA-N 1 1 361.467 3.069 20 5 FGBDMO Cc1cc(N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)nc(C)[nH+]1 ZINC000804702506 724543740 /nfs/dbraw/zinc/54/37/40/724543740.db2.gz AKFRVBYHDFTMHB-UHFFFAOYSA-N 1 1 363.215 3.327 20 5 FGBDMO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164626457 719054723 /nfs/dbraw/zinc/05/47/23/719054723.db2.gz RJKKXEHZPJVIQD-IEBWSBKVSA-N 1 1 352.438 3.399 20 5 FGBDMO Cc1ccnc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1[N+](=O)[O-] ZINC001164622787 719064903 /nfs/dbraw/zinc/06/49/03/719064903.db2.gz IUFUPTWYQAPZKZ-MSOLQXFVSA-N 1 1 352.438 3.399 20 5 FGBDMO Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])c(Cl)c2)cn1 ZINC000783579995 724767738 /nfs/dbraw/zinc/76/77/38/724767738.db2.gz MDCDCCYRIDVDFH-WMLDXEAASA-N 1 1 364.833 3.070 20 5 FGBDMO CC(C)n1cc([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000754808089 722946088 /nfs/dbraw/zinc/94/60/88/722946088.db2.gz YHNGNWUVLURZOH-NSHDSACASA-N 1 1 365.821 3.315 20 5 FGBDMO Cc1[nH+]ccn1CCCOC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000755098690 722950141 /nfs/dbraw/zinc/95/01/41/722950141.db2.gz SCKJNRXLUJQQEE-UHFFFAOYSA-N 1 1 357.288 3.366 20 5 FGBDMO CC(C)CC[N@H+](C)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795413404 723589263 /nfs/dbraw/zinc/58/92/63/723589263.db2.gz ANXDTVQNWWFWTP-UHFFFAOYSA-N 1 1 370.247 3.249 20 5 FGBDMO CC(C)CC[N@@H+](C)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795413404 723589265 /nfs/dbraw/zinc/58/92/65/723589265.db2.gz ANXDTVQNWWFWTP-UHFFFAOYSA-N 1 1 370.247 3.249 20 5 FGBDMO CC1=C(Br)C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000797528739 723831066 /nfs/dbraw/zinc/83/10/66/723831066.db2.gz ZAQKDJKWNXVEMQ-UHFFFAOYSA-N 1 1 368.231 3.298 20 5 FGBDMO CC1=C(Br)C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000797528739 723831069 /nfs/dbraw/zinc/83/10/69/723831069.db2.gz ZAQKDJKWNXVEMQ-UHFFFAOYSA-N 1 1 368.231 3.298 20 5 FGBDMO COCCC[N@H+](CCOC)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809935276 725277041 /nfs/dbraw/zinc/27/70/41/725277041.db2.gz QUHILNTXIOASPT-UHFFFAOYSA-N 1 1 351.230 3.387 20 5 FGBDMO COCCC[N@@H+](CCOC)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809935276 725277042 /nfs/dbraw/zinc/27/70/42/725277042.db2.gz QUHILNTXIOASPT-UHFFFAOYSA-N 1 1 351.230 3.387 20 5 FGBDMO Cc1ccc([C@@H](C)NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000810484123 725310147 /nfs/dbraw/zinc/31/01/47/725310147.db2.gz ODVCOKAFNVQGHP-ACJLOTCBSA-N 1 1 351.422 3.293 20 5 FGBDMO O=[N+]([O-])c1ccc(Cl)c(CNc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)c1 ZINC000812779127 726810413 /nfs/dbraw/zinc/81/04/13/726810413.db2.gz WHMXWNZQGAKOEQ-KRWDZBQOSA-N 1 1 361.829 3.427 20 5 FGBDMO Cn1nc(Br)cc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000813792158 726914895 /nfs/dbraw/zinc/91/48/95/726914895.db2.gz RKSPYZHAKDUQQK-UHFFFAOYSA-N 1 1 353.220 3.116 20 5 FGBDMO C[N@H+]1CCC[C@]2(CCN(Cc3ccc(Br)c([N+](=O)[O-])c3)C2)C1 ZINC000815146312 727044986 /nfs/dbraw/zinc/04/49/86/727044986.db2.gz QCJCZQQSKTWJPI-INIZCTEOSA-N 1 1 368.275 3.275 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Cl)[C@H]1c1ccccc1 ZINC000816956077 727209726 /nfs/dbraw/zinc/20/97/26/727209726.db2.gz WXDYPWZVPJUSIN-WMLDXEAASA-N 1 1 359.813 3.423 20 5 FGBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H](O)CC23CCC3)c1Br ZINC000817293130 727237344 /nfs/dbraw/zinc/23/73/44/727237344.db2.gz YMOCMKOIRQKFOM-GFCCVEGCSA-N 1 1 355.232 3.237 20 5 FGBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H](O)CC23CCC3)c1Br ZINC000817293130 727237345 /nfs/dbraw/zinc/23/73/45/727237345.db2.gz YMOCMKOIRQKFOM-GFCCVEGCSA-N 1 1 355.232 3.237 20 5 FGBDMO CC[N@H+]1CCCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000822564064 729194988 /nfs/dbraw/zinc/19/49/88/729194988.db2.gz WWVKUBXCQLKFOK-ZDUSSCGKSA-N 1 1 353.850 3.124 20 5 FGBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000825466299 729384367 /nfs/dbraw/zinc/38/43/67/729384367.db2.gz CIVUIEDQSWMVHA-CYBMUJFWSA-N 1 1 353.850 3.490 20 5 FGBDMO Cc1cc(Cl)c(C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000825529199 729386803 /nfs/dbraw/zinc/38/68/03/729386803.db2.gz ATJZAASSBSTTQO-YPMHNXCESA-N 1 1 353.850 3.407 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000827452120 729430411 /nfs/dbraw/zinc/43/04/11/729430411.db2.gz OYERPZCKHDOUCZ-RDJZCZTQSA-N 1 1 359.813 3.423 20 5 FGBDMO CC[N@@H+](CCC1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1)CC1CC1 ZINC000827740292 729434074 /nfs/dbraw/zinc/43/40/74/729434074.db2.gz XPWFOWPQWRUSJW-UHFFFAOYSA-N 1 1 353.507 3.183 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c1F ZINC000828831078 729448481 /nfs/dbraw/zinc/44/84/81/729448481.db2.gz VODBMWOMQTVOQG-GFCCVEGCSA-N 1 1 355.385 3.128 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)cc1Cl ZINC000836529678 729959413 /nfs/dbraw/zinc/95/94/13/729959413.db2.gz SZRWBJQMDAHCBM-CYBMUJFWSA-N 1 1 353.850 3.407 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C3CC3)C[C@H](C)C2)cc1Cl ZINC000836790092 729970039 /nfs/dbraw/zinc/97/00/39/729970039.db2.gz AGIMRSZZQIYIAM-NSHDSACASA-N 1 1 351.834 3.113 20 5 FGBDMO Cc1noc(C[N@@H+]2CCC[C@@](O)(c3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC000852210348 731556292 /nfs/dbraw/zinc/55/62/92/731556292.db2.gz BWJOZEHREPNXAZ-INIZCTEOSA-N 1 1 351.790 3.028 20 5 FGBDMO Cc1noc(C[N@H+]2CCC[C@@](O)(c3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC000852210348 731556295 /nfs/dbraw/zinc/55/62/95/731556295.db2.gz BWJOZEHREPNXAZ-INIZCTEOSA-N 1 1 351.790 3.028 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@H]2CCCC[C@@H]12 ZINC000852492986 731592553 /nfs/dbraw/zinc/59/25/53/731592553.db2.gz BUIWEPBYSSZTOL-LZWOXQAQSA-N 1 1 350.390 3.288 20 5 FGBDMO CCS[C@H]1CCCC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853498594 731713793 /nfs/dbraw/zinc/71/37/93/731713793.db2.gz LWOFKCANQZFBFD-AWEZNQCLSA-N 1 1 361.471 3.418 20 5 FGBDMO CCS[C@H]1CCCC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853498594 731713797 /nfs/dbraw/zinc/71/37/97/731713797.db2.gz LWOFKCANQZFBFD-AWEZNQCLSA-N 1 1 361.471 3.418 20 5 FGBDMO Cc1cc(Cl)c(C(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000856478766 732031451 /nfs/dbraw/zinc/03/14/51/732031451.db2.gz FTOVSBSAPIAXMJ-CQSZACIVSA-N 1 1 365.861 3.408 20 5 FGBDMO O=C1OC[C@H]2C[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C[C@@H]12 ZINC000862545234 732848893 /nfs/dbraw/zinc/84/88/93/732848893.db2.gz LLOLWDFLAFXIHN-QMTHXVAHSA-N 1 1 362.769 3.113 20 5 FGBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000863936269 733017603 /nfs/dbraw/zinc/01/76/03/733017603.db2.gz IHNCVZKRPQIJCQ-AWEZNQCLSA-N 1 1 351.834 3.385 20 5 FGBDMO Cn1cc(C[N@H+]2CC[C@H]3CSC[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000877738902 736711715 /nfs/dbraw/zinc/71/17/15/736711715.db2.gz MSNWBRRCLWSLIK-GOEBONIOSA-N 1 1 358.467 3.180 20 5 FGBDMO C[C@@]1(C(F)(F)F)CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000880000499 737095354 /nfs/dbraw/zinc/09/53/54/737095354.db2.gz MFMQWFUTSMQBPJ-CQSZACIVSA-N 1 1 356.304 3.419 20 5 FGBDMO C[C@@]1(C(F)(F)F)CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000880000499 737095360 /nfs/dbraw/zinc/09/53/60/737095360.db2.gz MFMQWFUTSMQBPJ-CQSZACIVSA-N 1 1 356.304 3.419 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CC[C@H](c3nccs3)C2)o1 ZINC000880322252 737155594 /nfs/dbraw/zinc/15/55/94/737155594.db2.gz FGXVVJCAFVCGPT-NSHDSACASA-N 1 1 357.395 3.091 20 5 FGBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CC[C@H](c3nccs3)C2)o1 ZINC000880322252 737155596 /nfs/dbraw/zinc/15/55/96/737155596.db2.gz FGXVVJCAFVCGPT-NSHDSACASA-N 1 1 357.395 3.091 20 5 FGBDMO COc1c(O)ccc(C[NH2+]Cc2ccc(OC(F)F)cc2)c1[N+](=O)[O-] ZINC000892416331 739998556 /nfs/dbraw/zinc/99/85/56/739998556.db2.gz VPQUVCOHXCTDGS-UHFFFAOYSA-N 1 1 354.309 3.200 20 5 FGBDMO CCO/C=C/[C@@](O)(C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000895716249 742445978 /nfs/dbraw/zinc/44/59/78/742445978.db2.gz AIPQPTWTPGDWPD-URWSZGRFSA-N 1 1 368.739 3.181 20 5 FGBDMO C[C@@H]1C[C@@H](NC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC[N@H+]1C ZINC000896667992 742580536 /nfs/dbraw/zinc/58/05/36/742580536.db2.gz PCTPKVRVDCQCMI-SFYZADRCSA-N 1 1 364.204 3.253 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C[C@H]1C ZINC000900802471 743170779 /nfs/dbraw/zinc/17/07/79/743170779.db2.gz VDAXOHGINNYGNQ-PWSUYJOCSA-N 1 1 357.813 3.332 20 5 FGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900986241 743209807 /nfs/dbraw/zinc/20/98/07/743209807.db2.gz ZVYHZPDZKYQJTM-NEPJUHHUSA-N 1 1 355.797 3.086 20 5 FGBDMO C[C@@H]1C[C@@H](N(C)C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C ZINC000906794646 744160513 /nfs/dbraw/zinc/16/05/13/744160513.db2.gz VLGUHMCFPJGGFV-OCCSQVGLSA-N 1 1 353.850 3.122 20 5 FGBDMO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CNCCC1(F)F ZINC000925782616 759537340 /nfs/dbraw/zinc/53/73/40/759537340.db2.gz MGZRCUKAMGIXGI-OLZOCXBDSA-N 1 1 359.442 3.300 20 5 FGBDMO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC[C@H]1C[NH2+]CCC1(F)F ZINC000925782616 759537351 /nfs/dbraw/zinc/53/73/51/759537351.db2.gz MGZRCUKAMGIXGI-OLZOCXBDSA-N 1 1 359.442 3.300 20 5 FGBDMO Cc1nc([C@@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)no1 ZINC000931941063 761012758 /nfs/dbraw/zinc/01/27/58/761012758.db2.gz NTKALLIUSYOSGZ-SNVBAGLBSA-N 1 1 356.304 3.295 20 5 FGBDMO Cc1nc([C@@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)no1 ZINC000931941063 761012768 /nfs/dbraw/zinc/01/27/68/761012768.db2.gz NTKALLIUSYOSGZ-SNVBAGLBSA-N 1 1 356.304 3.295 20 5 FGBDMO COC(=O)c1cnc([C@H]2CC[N@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)s1 ZINC000932669681 761214220 /nfs/dbraw/zinc/21/42/20/761214220.db2.gz PTTYPELSJRRDOD-NEPJUHHUSA-N 1 1 361.423 3.388 20 5 FGBDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)C[C@@H](C)O1 ZINC000106031190 222380898 /nfs/dbraw/zinc/38/08/98/222380898.db2.gz AFEBBAOMDUPTGY-HUUCEWRRSA-N 1 1 369.421 3.456 20 5 FGBDMO CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1(C)C ZINC000076152237 493833293 /nfs/dbraw/zinc/83/32/93/493833293.db2.gz VQEPPQGNVLAWJO-YJBOKZPZSA-N 1 1 350.415 3.097 20 5 FGBDMO CCc1nsc(N2CCC[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000076185103 493839603 /nfs/dbraw/zinc/83/96/03/493839603.db2.gz FRLZDZHMASNJOY-ZDUSSCGKSA-N 1 1 361.471 3.282 20 5 FGBDMO CCc1nsc(N2CCC[N@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000076185103 493839605 /nfs/dbraw/zinc/83/96/05/493839605.db2.gz FRLZDZHMASNJOY-ZDUSSCGKSA-N 1 1 361.471 3.282 20 5 FGBDMO C[N@@H+](C[C@@H](O)COc1ccc(Cc2ccccc2)cc1[N+](=O)[O-])C1CC1 ZINC000580138102 505685134 /nfs/dbraw/zinc/68/51/34/505685134.db2.gz CBKQGNQSTUNXIL-GOSISDBHSA-N 1 1 356.422 3.020 20 5 FGBDMO COc1ccccc1[C@@H]1CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000069085610 493918446 /nfs/dbraw/zinc/91/84/46/493918446.db2.gz PTIBNABKFBVZLG-SFHVURJKSA-N 1 1 369.421 3.403 20 5 FGBDMO COc1ccccc1[C@@H]1CCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000069085610 493918448 /nfs/dbraw/zinc/91/84/48/493918448.db2.gz PTIBNABKFBVZLG-SFHVURJKSA-N 1 1 369.421 3.403 20 5 FGBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050580880 493922503 /nfs/dbraw/zinc/92/25/03/493922503.db2.gz GOBIXSGDSDFCSU-GDBMZVCRSA-N 1 1 372.450 3.075 20 5 FGBDMO COC(=O)[C@H](C)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000060333780 493923569 /nfs/dbraw/zinc/92/35/69/493923569.db2.gz NIWFLWIJYGPZDA-MRXNPFEDSA-N 1 1 356.422 3.449 20 5 FGBDMO CCOc1ccc(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000060394479 493930769 /nfs/dbraw/zinc/93/07/69/493930769.db2.gz DRNPJRCGDPMAKA-UHFFFAOYSA-N 1 1 363.458 3.186 20 5 FGBDMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000061623885 493987519 /nfs/dbraw/zinc/98/75/19/493987519.db2.gz PUVAPROFYOYZHQ-UHFFFAOYSA-N 1 1 350.378 3.327 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000083407680 494015326 /nfs/dbraw/zinc/01/53/26/494015326.db2.gz PLATWOUBMKZJLY-GOSISDBHSA-N 1 1 364.442 3.154 20 5 FGBDMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000070702174 494049215 /nfs/dbraw/zinc/04/92/15/494049215.db2.gz IMQJNQOOSFGCKX-HNNXBMFYSA-N 1 1 363.801 3.408 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)CCCc1ccccc1 ZINC000052802438 494062453 /nfs/dbraw/zinc/06/24/53/494062453.db2.gz SDTRGZXEGBGVFW-OAHLLOKOSA-N 1 1 371.437 3.495 20 5 FGBDMO Cc1cccc(NC(=O)C2CC[NH+](Cc3cc(F)ccc3[N+](=O)[O-])CC2)n1 ZINC000053166272 494100243 /nfs/dbraw/zinc/10/02/43/494100243.db2.gz IKNNWBFRSIODBY-UHFFFAOYSA-N 1 1 372.400 3.288 20 5 FGBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1c([N+](=O)[O-])nc(C)n1CC ZINC000577291259 505701359 /nfs/dbraw/zinc/70/13/59/505701359.db2.gz DSJAABAETUNIOS-GOSISDBHSA-N 1 1 371.485 3.468 20 5 FGBDMO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000053494545 494139122 /nfs/dbraw/zinc/13/91/22/494139122.db2.gz JPKLYTTUOGRSCV-UHFFFAOYSA-N 1 1 354.410 3.335 20 5 FGBDMO Cc1ccccc1OCCC[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000053720725 494161023 /nfs/dbraw/zinc/16/10/23/494161023.db2.gz OCPLHFZQOGPZQN-UHFFFAOYSA-N 1 1 357.410 3.243 20 5 FGBDMO Cc1ccccc1OCCC[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000053720725 494161025 /nfs/dbraw/zinc/16/10/25/494161025.db2.gz OCPLHFZQOGPZQN-UHFFFAOYSA-N 1 1 357.410 3.243 20 5 FGBDMO Cc1noc(C)c1C[NH+]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000065228477 494180759 /nfs/dbraw/zinc/18/07/59/494180759.db2.gz HRBYKFFGIHOTTB-UHFFFAOYSA-N 1 1 367.409 3.070 20 5 FGBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCc2ccccc21 ZINC000042635284 494231633 /nfs/dbraw/zinc/23/16/33/494231633.db2.gz XUOAYCJVKRKGDQ-LJQANCHMSA-N 1 1 351.406 3.103 20 5 FGBDMO CCS[C@H]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000072838059 494262065 /nfs/dbraw/zinc/26/20/65/494262065.db2.gz HGROMXYPOPZPOK-JSGCOSHPSA-N 1 1 367.471 3.148 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000054728093 494265317 /nfs/dbraw/zinc/26/53/17/494265317.db2.gz DJZMYIJUWXPPAC-GASCZTMLSA-N 1 1 362.474 3.151 20 5 FGBDMO C[C@H](NC(=O)NCC[N@@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000054761411 494268389 /nfs/dbraw/zinc/26/83/89/494268389.db2.gz MAFWEBKOHRIYGY-HNNXBMFYSA-N 1 1 356.426 3.087 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000043149870 494271324 /nfs/dbraw/zinc/27/13/24/494271324.db2.gz LMPMVWVEGASEGE-UHFFFAOYSA-N 1 1 354.410 3.253 20 5 FGBDMO Cc1[nH+]ccn1CCCCNc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000078336233 494281341 /nfs/dbraw/zinc/28/13/41/494281341.db2.gz GZGFKTXDAASQBV-UHFFFAOYSA-N 1 1 359.430 3.130 20 5 FGBDMO C[N@H+](CCc1ccc(F)cc1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000055025094 494290955 /nfs/dbraw/zinc/29/09/55/494290955.db2.gz FACVZNMMGXNGFP-UHFFFAOYSA-N 1 1 356.357 3.458 20 5 FGBDMO C[N@@H+](CCc1ccc(F)cc1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000055025094 494290960 /nfs/dbraw/zinc/29/09/60/494290960.db2.gz FACVZNMMGXNGFP-UHFFFAOYSA-N 1 1 356.357 3.458 20 5 FGBDMO COc1ccc(F)cc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000055152560 494307293 /nfs/dbraw/zinc/30/72/93/494307293.db2.gz OCCBELRIWSYTKY-RYUDHWBXSA-N 1 1 361.373 3.420 20 5 FGBDMO COc1ccc(F)cc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000055152561 494307529 /nfs/dbraw/zinc/30/75/29/494307529.db2.gz OCCBELRIWSYTKY-NEPJUHHUSA-N 1 1 361.373 3.420 20 5 FGBDMO Cc1cccc(OCC[N@@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000015100206 494338725 /nfs/dbraw/zinc/33/87/25/494338725.db2.gz FCWBJFLLEKUVPL-OAHLLOKOSA-N 1 1 357.410 3.241 20 5 FGBDMO Cc1cccc(OCC[N@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000015100206 494338730 /nfs/dbraw/zinc/33/87/30/494338730.db2.gz FCWBJFLLEKUVPL-OAHLLOKOSA-N 1 1 357.410 3.241 20 5 FGBDMO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000015144021 494342327 /nfs/dbraw/zinc/34/23/27/494342327.db2.gz HHQSKLFRKDPDFR-ZDUSSCGKSA-N 1 1 373.409 3.071 20 5 FGBDMO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000015144021 494342333 /nfs/dbraw/zinc/34/23/33/494342333.db2.gz HHQSKLFRKDPDFR-ZDUSSCGKSA-N 1 1 373.409 3.071 20 5 FGBDMO Cc1ccccc1C[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000018110451 494425041 /nfs/dbraw/zinc/42/50/41/494425041.db2.gz MQCOMYXONPNAAT-UHFFFAOYSA-N 1 1 353.422 3.170 20 5 FGBDMO CN(C(=O)C[N@H+]1CCC[C@H]1Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000055908435 494426422 /nfs/dbraw/zinc/42/64/22/494426422.db2.gz PKABPQCNNUEADX-IBGZPJMESA-N 1 1 371.412 3.404 20 5 FGBDMO C[C@H]1C[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000079553904 494479210 /nfs/dbraw/zinc/47/92/10/494479210.db2.gz WAIDJEUYXMYCOD-LPHOPBHVSA-N 1 1 367.449 3.307 20 5 FGBDMO CCc1ccc([C@H]2C[C@H](C)CC[N@H+]2CCn2cc([N+](=O)[O-])ccc2=O)o1 ZINC000090551290 494481506 /nfs/dbraw/zinc/48/15/06/494481506.db2.gz PMPWDXTYUKTJST-RHSMWYFYSA-N 1 1 359.426 3.385 20 5 FGBDMO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090590053 494485608 /nfs/dbraw/zinc/48/56/08/494485608.db2.gz BNPFJXBCIJYRRE-ZDUSSCGKSA-N 1 1 364.471 3.338 20 5 FGBDMO C[C@@H]1C[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000079686372 494507355 /nfs/dbraw/zinc/50/73/55/494507355.db2.gz PHKZLDRRGZRNCA-WBVHZDCISA-N 1 1 353.422 3.378 20 5 FGBDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000046714419 494556232 /nfs/dbraw/zinc/55/62/32/494556232.db2.gz YXPICZOMDIBYLM-AWEZNQCLSA-N 1 1 357.410 3.350 20 5 FGBDMO CCOc1ccc(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000046989419 494605028 /nfs/dbraw/zinc/60/50/28/494605028.db2.gz YAUYEQZUHZQRLL-OAHLLOKOSA-N 1 1 363.458 3.378 20 5 FGBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000057005423 494614597 /nfs/dbraw/zinc/61/45/97/494614597.db2.gz XRPDQEDYKDRRKB-UHFFFAOYSA-N 1 1 370.453 3.434 20 5 FGBDMO CC[N@H+]1CC[C@H](CNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000107887359 494616673 /nfs/dbraw/zinc/61/66/73/494616673.db2.gz LEVJNNUIBYYFDY-OAHLLOKOSA-N 1 1 368.437 3.410 20 5 FGBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@H](O)COCc1ccccc1 ZINC000092472120 494638072 /nfs/dbraw/zinc/63/80/72/494638072.db2.gz AAAGVJCAPIQAQY-SSVWKNEZSA-N 1 1 356.422 3.118 20 5 FGBDMO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000047262236 494668582 /nfs/dbraw/zinc/66/85/82/494668582.db2.gz KKRLVPQSVULSDN-AWEZNQCLSA-N 1 1 374.828 3.494 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000131644398 494684196 /nfs/dbraw/zinc/68/41/96/494684196.db2.gz MPCSRNHLEFUWSN-CQSZACIVSA-N 1 1 351.422 3.047 20 5 FGBDMO C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1F ZINC000126292393 494698803 /nfs/dbraw/zinc/69/88/03/494698803.db2.gz YXQZPNRNCINHIU-LLVKDONJSA-N 1 1 361.348 3.113 20 5 FGBDMO C[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1F ZINC000126292182 494699076 /nfs/dbraw/zinc/69/90/76/494699076.db2.gz YXQZPNRNCINHIU-NSHDSACASA-N 1 1 361.348 3.113 20 5 FGBDMO NC(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000092660265 494701438 /nfs/dbraw/zinc/70/14/38/494701438.db2.gz BUWMRAIQJDICMO-AWEZNQCLSA-N 1 1 357.410 3.332 20 5 FGBDMO C[C@H]1C[C@H](CNC(=O)c2ccccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000131703430 494703847 /nfs/dbraw/zinc/70/38/47/494703847.db2.gz MYRXAYHQGTUKKL-DOTOQJQBSA-N 1 1 353.422 3.235 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000091986072 494743889 /nfs/dbraw/zinc/74/38/89/494743889.db2.gz AHPAUZDMYPPRFC-ZDUSSCGKSA-N 1 1 358.398 3.020 20 5 FGBDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C12CCC2 ZINC000092040899 494766484 /nfs/dbraw/zinc/76/64/84/494766484.db2.gz LSTJTBGMJQMBLR-MSOLQXFVSA-N 1 1 364.442 3.392 20 5 FGBDMO O=C1C[C@H](c2ccccc2)[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCN1 ZINC000092075443 494780166 /nfs/dbraw/zinc/78/01/66/494780166.db2.gz FKTYAEUHLMNHNM-ZAOIQFLMSA-N 1 1 351.406 3.171 20 5 FGBDMO CC(C)c1ccc(CN2CCC([N@H+]3CCO[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000092079428 494782785 /nfs/dbraw/zinc/78/27/85/494782785.db2.gz PQTLYIXMGUHFRE-INIZCTEOSA-N 1 1 361.486 3.403 20 5 FGBDMO CC(C)c1ccc(C[NH+]2CCC(N3CCO[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000092079428 494782789 /nfs/dbraw/zinc/78/27/89/494782789.db2.gz PQTLYIXMGUHFRE-INIZCTEOSA-N 1 1 361.486 3.403 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000047866086 494784015 /nfs/dbraw/zinc/78/40/15/494784015.db2.gz RJMPXVMTRJPTRL-LLVKDONJSA-N 1 1 372.372 3.192 20 5 FGBDMO C[C@H]1C[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)C[N@H+]1Cc1ccccc1 ZINC000132044150 494805201 /nfs/dbraw/zinc/80/52/01/494805201.db2.gz IHCLQMHGGQXTLK-LPHOPBHVSA-N 1 1 367.449 3.164 20 5 FGBDMO CCc1ccc(C[N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000026191249 494807776 /nfs/dbraw/zinc/80/77/76/494807776.db2.gz SUFCJTKCUMALLY-UHFFFAOYSA-N 1 1 353.422 3.178 20 5 FGBDMO CCc1ccc(C[N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000026191249 494807778 /nfs/dbraw/zinc/80/77/78/494807778.db2.gz SUFCJTKCUMALLY-UHFFFAOYSA-N 1 1 353.422 3.178 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000093235307 494848376 /nfs/dbraw/zinc/84/83/76/494848376.db2.gz AAUZAOLDPMPKNQ-ZDUSSCGKSA-N 1 1 358.398 3.020 20 5 FGBDMO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000093284167 494860127 /nfs/dbraw/zinc/86/01/27/494860127.db2.gz NLCQZAWCCDOEMQ-GFCCVEGCSA-N 1 1 361.398 3.147 20 5 FGBDMO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000093284167 494860131 /nfs/dbraw/zinc/86/01/31/494860131.db2.gz NLCQZAWCCDOEMQ-GFCCVEGCSA-N 1 1 361.398 3.147 20 5 FGBDMO Cc1cccc(N2CCC(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)[nH+]1 ZINC000116836988 494860289 /nfs/dbraw/zinc/86/02/89/494860289.db2.gz KVCQIRGIGBZICC-UHFFFAOYSA-N 1 1 374.828 3.350 20 5 FGBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CCc1ccccc1 ZINC000117335840 494911912 /nfs/dbraw/zinc/91/19/12/494911912.db2.gz BLJFKRMASQUDPA-UHFFFAOYSA-N 1 1 355.394 3.067 20 5 FGBDMO Cc1cnc(CC[N@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)s1 ZINC000093773457 494920857 /nfs/dbraw/zinc/92/08/57/494920857.db2.gz UKGIAMIFCZJRPE-UHFFFAOYSA-N 1 1 371.466 3.435 20 5 FGBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000109886615 494929517 /nfs/dbraw/zinc/92/95/17/494929517.db2.gz DOMMFXJFTRQULN-HNNXBMFYSA-N 1 1 358.442 3.461 20 5 FGBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000109983570 494936409 /nfs/dbraw/zinc/93/64/09/494936409.db2.gz KJKJVTDNVQVYPW-GOSISDBHSA-N 1 1 372.469 3.320 20 5 FGBDMO C[C@H]1C[C@@H](N(C)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@H+]1C ZINC000122740720 495023541 /nfs/dbraw/zinc/02/35/41/495023541.db2.gz WOISFFKCBAABMB-WFASDCNBSA-N 1 1 374.466 3.273 20 5 FGBDMO C[C@@H](CN1CCOCC1)[N@H+](Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000111056115 495035018 /nfs/dbraw/zinc/03/50/18/495035018.db2.gz OEOLBMPUOFWYDH-SFHVURJKSA-N 1 1 369.465 3.318 20 5 FGBDMO C[C@@H](CN1CCOCC1)[N@@H+](Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000111056115 495035022 /nfs/dbraw/zinc/03/50/22/495035022.db2.gz OEOLBMPUOFWYDH-SFHVURJKSA-N 1 1 369.465 3.318 20 5 FGBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000123316372 495113560 /nfs/dbraw/zinc/11/35/60/495113560.db2.gz MNSPEKAIMYPUQF-KRWDZBQOSA-N 1 1 374.485 3.247 20 5 FGBDMO CCS[C@@H]1CCCC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000112089412 495143061 /nfs/dbraw/zinc/14/30/61/495143061.db2.gz ALDPOMTXIXAOHG-CQSZACIVSA-N 1 1 351.472 3.449 20 5 FGBDMO CCS[C@@H]1CCCC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000112089412 495143065 /nfs/dbraw/zinc/14/30/65/495143065.db2.gz ALDPOMTXIXAOHG-CQSZACIVSA-N 1 1 351.472 3.449 20 5 FGBDMO CCS[C@H]1CCCC[N@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000112089751 495143309 /nfs/dbraw/zinc/14/33/09/495143309.db2.gz QVVKXMMZAJUDJE-AWEZNQCLSA-N 1 1 367.471 3.150 20 5 FGBDMO CCS[C@H]1CCCC[N@@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000112089751 495143310 /nfs/dbraw/zinc/14/33/10/495143310.db2.gz QVVKXMMZAJUDJE-AWEZNQCLSA-N 1 1 367.471 3.150 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000134717243 495191175 /nfs/dbraw/zinc/19/11/75/495191175.db2.gz XIPRWBJEMLEIQR-MRXNPFEDSA-N 1 1 374.485 3.181 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+](C)Cc3cnn(C)c3)o2)c([N+](=O)[O-])c1 ZINC000119700318 495221213 /nfs/dbraw/zinc/22/12/13/495221213.db2.gz YIPBUOUMLYYGNF-UHFFFAOYSA-N 1 1 356.382 3.229 20 5 FGBDMO COc1ccc(-c2ccc(C[N@@H+](C)Cc3cnn(C)c3)o2)c([N+](=O)[O-])c1 ZINC000119700318 495221216 /nfs/dbraw/zinc/22/12/16/495221216.db2.gz YIPBUOUMLYYGNF-UHFFFAOYSA-N 1 1 356.382 3.229 20 5 FGBDMO O=[N+]([O-])c1ccc2oc(CN3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)nc2c1 ZINC000134927555 495224548 /nfs/dbraw/zinc/22/45/48/495224548.db2.gz JCFDHCUQUIFYDH-DYVFJYSZSA-N 1 1 356.426 3.185 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000119751663 495233313 /nfs/dbraw/zinc/23/33/13/495233313.db2.gz DCHWMYWOITZGLD-JXFKEZNVSA-N 1 1 367.449 3.164 20 5 FGBDMO Cc1cnn(-c2cc[nH+]cc2NC(=O)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000124215418 495252551 /nfs/dbraw/zinc/25/25/51/495252551.db2.gz PSOBPFBXIMXULD-UHFFFAOYSA-N 1 1 351.366 3.055 20 5 FGBDMO C[N@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000119874187 495259336 /nfs/dbraw/zinc/25/93/36/495259336.db2.gz VKOFBXDGEBUPRG-KRWDZBQOSA-N 1 1 368.437 3.031 20 5 FGBDMO O=c1cc(C[N@H+]2CCC[C@H](Cn3ccnn3)C2)c2c(ccc3ccccc32)o1 ZINC000119903696 495266292 /nfs/dbraw/zinc/26/62/92/495266292.db2.gz SXKIEWIIHKMGNR-INIZCTEOSA-N 1 1 374.444 3.450 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+](C[C@@H]3CCOC3)C3CC3)o2)c1 ZINC000104674094 495295472 /nfs/dbraw/zinc/29/54/72/495295472.db2.gz DCEVJHFDGXWYBU-AWEZNQCLSA-N 1 1 357.410 3.293 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@@H](c4cc[nH]n4)C3)o2)c1 ZINC000104675402 495296523 /nfs/dbraw/zinc/29/65/23/495296523.db2.gz KWAARSVOWYCCQM-OAHLLOKOSA-N 1 1 367.409 3.395 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@@H](c4ccn[nH]4)C3)o2)c1 ZINC000104675402 495296526 /nfs/dbraw/zinc/29/65/26/495296526.db2.gz KWAARSVOWYCCQM-OAHLLOKOSA-N 1 1 367.409 3.395 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@@H](c4ccn[nH]4)C3)o2)c1 ZINC000104675402 495296530 /nfs/dbraw/zinc/29/65/30/495296530.db2.gz KWAARSVOWYCCQM-OAHLLOKOSA-N 1 1 367.409 3.395 20 5 FGBDMO COc1ccc(C[N@@H+](CCCO)[C@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000114469235 495379521 /nfs/dbraw/zinc/37/95/21/495379521.db2.gz ZHBMFIRCPLBZNV-SFHVURJKSA-N 1 1 356.422 3.475 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@H](CN4CCOCC4)C3)o2)cc1 ZINC000130993240 495477473 /nfs/dbraw/zinc/47/74/73/495477473.db2.gz HVXREOQDWZLVQI-INIZCTEOSA-N 1 1 371.437 3.009 20 5 FGBDMO CCOCCC[N@H+]1CC[C@@H](Nc2ccc(C(C)=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000115521452 495513474 /nfs/dbraw/zinc/51/34/74/495513474.db2.gz NAQJQMKRUNRPSS-RHSMWYFYSA-N 1 1 363.458 3.346 20 5 FGBDMO C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000115555268 495516659 /nfs/dbraw/zinc/51/66/59/495516659.db2.gz UJMZVKVUDWMQAV-DOTOQJQBSA-N 1 1 353.422 3.436 20 5 FGBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)ccc1Cl ZINC000154178761 495536212 /nfs/dbraw/zinc/53/62/12/495536212.db2.gz BIKNPCWFYKYHSN-OAHLLOKOSA-N 1 1 354.834 3.408 20 5 FGBDMO CC[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000185339745 495537965 /nfs/dbraw/zinc/53/79/65/495537965.db2.gz WMYUUPABGQBRNK-MRXNPFEDSA-N 1 1 359.451 3.393 20 5 FGBDMO CC[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000185339745 495537971 /nfs/dbraw/zinc/53/79/71/495537971.db2.gz WMYUUPABGQBRNK-MRXNPFEDSA-N 1 1 359.451 3.393 20 5 FGBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCC[N@H+]3Cc3ccccc32)c1 ZINC000147251589 495572689 /nfs/dbraw/zinc/57/26/89/495572689.db2.gz YPZRQJZPECDIKE-OAHLLOKOSA-N 1 1 367.405 3.228 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@H](O)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000158791826 495589593 /nfs/dbraw/zinc/58/95/93/495589593.db2.gz HLSLDMRHONAMDD-SFHVURJKSA-N 1 1 372.421 3.139 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)C[C@H](O)COCc1ccccc1 ZINC000182783817 495701711 /nfs/dbraw/zinc/70/17/11/495701711.db2.gz LWEYRUBWXKLLOG-APWZRJJASA-N 1 1 358.438 3.474 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCS[C@@H](C(C)C)C1 ZINC000173858461 495722278 /nfs/dbraw/zinc/72/22/78/495722278.db2.gz FCDRBHDUXRYDCZ-MRXNPFEDSA-N 1 1 351.472 3.305 20 5 FGBDMO CN(C(=O)C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000154866921 495755217 /nfs/dbraw/zinc/75/52/17/495755217.db2.gz PAFMNSABWOQMME-QGZVFWFLSA-N 1 1 368.437 3.134 20 5 FGBDMO CN(C(=O)C[N@H+]1CCC[C@@H](Nc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000154866921 495755221 /nfs/dbraw/zinc/75/52/21/495755221.db2.gz PAFMNSABWOQMME-QGZVFWFLSA-N 1 1 368.437 3.134 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccccc1 ZINC000180140657 495876315 /nfs/dbraw/zinc/87/63/15/495876315.db2.gz DRGQCPNOGVJVNS-SJORKVTESA-N 1 1 359.813 3.423 20 5 FGBDMO COCCN1CCC([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000180242515 495921985 /nfs/dbraw/zinc/92/19/85/495921985.db2.gz MSWMRDHDPDEERX-NRFANRHFSA-N 1 1 369.465 3.385 20 5 FGBDMO CCn1c(C)nc([N+](=O)[O-])c1Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000577892329 505813268 /nfs/dbraw/zinc/81/32/68/505813268.db2.gz MPXJHOYKROIEAE-OKILXGFUSA-N 1 1 373.457 3.472 20 5 FGBDMO CCN(C(=O)c1csc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186321060 495946397 /nfs/dbraw/zinc/94/63/97/495946397.db2.gz BBXBEPAVJBDLAL-INIZCTEOSA-N 1 1 359.451 3.393 20 5 FGBDMO CCc1nsc(N2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3C)CC2)n1 ZINC000183390190 495960510 /nfs/dbraw/zinc/96/05/10/495960510.db2.gz MWKICZFVNFBTQT-UHFFFAOYSA-N 1 1 361.471 3.029 20 5 FGBDMO CO[C@]1(C)C[C@@H]([N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1(C)C ZINC000174485005 495979114 /nfs/dbraw/zinc/97/91/14/495979114.db2.gz WUIZUTIKPIHATR-RDTXWAMCSA-N 1 1 360.414 3.280 20 5 FGBDMO CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1(C)C ZINC000174485005 495979118 /nfs/dbraw/zinc/97/91/18/495979118.db2.gz WUIZUTIKPIHATR-RDTXWAMCSA-N 1 1 360.414 3.280 20 5 FGBDMO CO[C@]1(C)C[C@@H]([N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000174482293 495979278 /nfs/dbraw/zinc/97/92/78/495979278.db2.gz JNPAHJQYGQRJRB-RDTXWAMCSA-N 1 1 360.414 3.280 20 5 FGBDMO CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000174482293 495979279 /nfs/dbraw/zinc/97/92/79/495979279.db2.gz JNPAHJQYGQRJRB-RDTXWAMCSA-N 1 1 360.414 3.280 20 5 FGBDMO C[C@@H]([NH2+]CC(=O)Nc1nnc(C(C)(C)C)s1)c1cccc([N+](=O)[O-])c1 ZINC000180433856 495995065 /nfs/dbraw/zinc/99/50/65/495995065.db2.gz DZTZNRMEJSVVDZ-SNVBAGLBSA-N 1 1 363.443 3.033 20 5 FGBDMO Cn1cc[nH+]c1CC1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000160683715 496019891 /nfs/dbraw/zinc/01/98/91/496019891.db2.gz DQCHXWGWHRVDPQ-UHFFFAOYSA-N 1 1 366.368 3.389 20 5 FGBDMO CC(=O)NC[C@@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000155661433 496027335 /nfs/dbraw/zinc/02/73/35/496027335.db2.gz YGOAPFUALHWKNV-AWEZNQCLSA-N 1 1 374.466 3.066 20 5 FGBDMO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000155661433 496027338 /nfs/dbraw/zinc/02/73/38/496027338.db2.gz YGOAPFUALHWKNV-AWEZNQCLSA-N 1 1 374.466 3.066 20 5 FGBDMO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000177586727 496122343 /nfs/dbraw/zinc/12/23/43/496122343.db2.gz BMPFXHHAPTYUCK-QGZVFWFLSA-N 1 1 352.406 3.284 20 5 FGBDMO COc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc2c1OCCO2 ZINC000183804649 496122741 /nfs/dbraw/zinc/12/27/41/496122741.db2.gz DLKYQKMBSMEOIO-UHFFFAOYSA-N 1 1 364.785 3.318 20 5 FGBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000161673543 496219914 /nfs/dbraw/zinc/21/99/14/496219914.db2.gz DKGZJKFHGBLUPW-OAHLLOKOSA-N 1 1 373.409 3.020 20 5 FGBDMO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000178057725 496308778 /nfs/dbraw/zinc/30/87/78/496308778.db2.gz BTGNKWUWMLBXDL-INIZCTEOSA-N 1 1 353.422 3.237 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[N@H+](C2CCCC2)CC1 ZINC000172585186 496352993 /nfs/dbraw/zinc/35/29/93/496352993.db2.gz LLYVEJNHRISKQM-UHFFFAOYSA-N 1 1 374.485 3.182 20 5 FGBDMO Cc1ccc(OC[C@H](O)C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c(C)c1 ZINC000153194804 496380257 /nfs/dbraw/zinc/38/02/57/496380257.db2.gz ZHVDLCMWHHOHAQ-QGZVFWFLSA-N 1 1 356.422 3.010 20 5 FGBDMO Cc1ccc(OC[C@H](O)C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c(C)c1 ZINC000153194804 496380263 /nfs/dbraw/zinc/38/02/63/496380263.db2.gz ZHVDLCMWHHOHAQ-QGZVFWFLSA-N 1 1 356.422 3.010 20 5 FGBDMO O=C1CCc2cc([N+](=O)[O-])c(N[C@@H]3CC[N@@H+](CC4CCCC4)C3)cc2N1 ZINC000172784834 496430248 /nfs/dbraw/zinc/43/02/48/496430248.db2.gz OOPYWLQNJCRUGR-OAHLLOKOSA-N 1 1 358.442 3.156 20 5 FGBDMO Cc1csc([C@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000181596056 496462215 /nfs/dbraw/zinc/46/22/15/496462215.db2.gz IOYMSTZFKOCLLL-XHDPSFHLSA-N 1 1 360.439 3.428 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000187609116 496508392 /nfs/dbraw/zinc/50/83/92/496508392.db2.gz JTKXNJZRGXGUMT-IBGZPJMESA-N 1 1 371.412 3.374 20 5 FGBDMO C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000175734035 496521269 /nfs/dbraw/zinc/52/12/69/496521269.db2.gz DPDIIFJMTDLAAF-RHSMWYFYSA-N 1 1 360.458 3.220 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000184873912 496566690 /nfs/dbraw/zinc/56/66/90/496566690.db2.gz WAFPEHRZJSZQLU-ZHALLVOQSA-N 1 1 359.470 3.106 20 5 FGBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CCCn1cc[nH+]c1C ZINC000184889389 496571857 /nfs/dbraw/zinc/57/18/57/496571857.db2.gz VVZATTHWYKRSCV-KRWDZBQOSA-N 1 1 358.442 3.217 20 5 FGBDMO COc1ccccc1[C@@H]1CC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000157872084 496574881 /nfs/dbraw/zinc/57/48/81/496574881.db2.gz MDSBGMRMYKVWHN-OAHLLOKOSA-N 1 1 369.421 3.340 20 5 FGBDMO COc1ccccc1[C@@H]1CC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000157872084 496574884 /nfs/dbraw/zinc/57/48/84/496574884.db2.gz MDSBGMRMYKVWHN-OAHLLOKOSA-N 1 1 369.421 3.340 20 5 FGBDMO COc1ccccc1[C@H]1CC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000157871961 496574924 /nfs/dbraw/zinc/57/49/24/496574924.db2.gz MDSBGMRMYKVWHN-HNNXBMFYSA-N 1 1 369.421 3.340 20 5 FGBDMO COc1ccccc1[C@H]1CC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000157871961 496574928 /nfs/dbraw/zinc/57/49/28/496574928.db2.gz MDSBGMRMYKVWHN-HNNXBMFYSA-N 1 1 369.421 3.340 20 5 FGBDMO C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000178876371 496602901 /nfs/dbraw/zinc/60/29/01/496602901.db2.gz IAJKKUHQICUBNK-ZSZQSSIHSA-N 1 1 372.469 3.314 20 5 FGBDMO CCO[C@H]1C[C@H]([N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C12CCC2 ZINC000154026657 496659568 /nfs/dbraw/zinc/65/95/68/496659568.db2.gz SFNSVZIEVUVEOE-HOTGVXAUSA-N 1 1 372.425 3.424 20 5 FGBDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C12CCC2 ZINC000154026657 496659573 /nfs/dbraw/zinc/65/95/73/496659573.db2.gz SFNSVZIEVUVEOE-HOTGVXAUSA-N 1 1 372.425 3.424 20 5 FGBDMO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182101961 496670914 /nfs/dbraw/zinc/67/09/14/496670914.db2.gz YFUGFNKRANEIGL-CQSZACIVSA-N 1 1 353.850 3.377 20 5 FGBDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182101961 496670917 /nfs/dbraw/zinc/67/09/17/496670917.db2.gz YFUGFNKRANEIGL-CQSZACIVSA-N 1 1 353.850 3.377 20 5 FGBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000176127384 496696363 /nfs/dbraw/zinc/69/63/63/496696363.db2.gz VCOSBZFOIDHARD-RHSMWYFYSA-N 1 1 368.437 3.081 20 5 FGBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000179257305 496721634 /nfs/dbraw/zinc/72/16/34/496721634.db2.gz ZNPBYQZRPZXYFD-UHFFFAOYSA-N 1 1 370.453 3.305 20 5 FGBDMO COCC[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccco1 ZINC000273320017 496773483 /nfs/dbraw/zinc/77/34/83/496773483.db2.gz WJPLOLHWIOOEKE-ZDUSSCGKSA-N 1 1 367.789 3.147 20 5 FGBDMO C[C@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000273484664 496819543 /nfs/dbraw/zinc/81/95/43/496819543.db2.gz LZPXLRIIHFATDM-IUODEOHRSA-N 1 1 357.439 3.268 20 5 FGBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000195171238 496840630 /nfs/dbraw/zinc/84/06/30/496840630.db2.gz QEJJQOSJONGEDJ-KRWDZBQOSA-N 1 1 368.437 3.083 20 5 FGBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000269013548 496849257 /nfs/dbraw/zinc/84/92/57/496849257.db2.gz NKJXNQGQVRSZKM-FZMZJTMJSA-N 1 1 371.359 3.170 20 5 FGBDMO CC(C)C[C@@]1(CO)CCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000191665796 496850340 /nfs/dbraw/zinc/85/03/40/496850340.db2.gz PXJXIAPXAGCWPZ-QGZVFWFLSA-N 1 1 369.849 3.060 20 5 FGBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000247666554 496903522 /nfs/dbraw/zinc/90/35/22/496903522.db2.gz YDEIOXUFXCTGQN-UOIKSKOESA-N 1 1 357.410 3.074 20 5 FGBDMO Cc1cc(NC(=O)NCC[N@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000195662811 496959361 /nfs/dbraw/zinc/95/93/61/496959361.db2.gz NKALFIZAEIAXLI-UHFFFAOYSA-N 1 1 354.410 3.083 20 5 FGBDMO CC(C)(C)[C@H]1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000217223358 496996296 /nfs/dbraw/zinc/99/62/96/496996296.db2.gz FOJQCMWLBWHXCN-DOTOQJQBSA-N 1 1 350.459 3.483 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2nc(CN[C@H]3CC[N@H+]4CCCC[C@@H]34)cs2)c1 ZINC000264943897 497016616 /nfs/dbraw/zinc/01/66/16/497016616.db2.gz HTQJGWBJKWQHPU-IRXDYDNUSA-N 1 1 358.467 3.435 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC([C@@H]4CCCO4)CC3)n2)c1 ZINC000189128846 497017704 /nfs/dbraw/zinc/01/77/04/497017704.db2.gz KHABAPYBYVZFBS-INIZCTEOSA-N 1 1 358.398 3.036 20 5 FGBDMO C[C@@H](C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000248589148 497049887 /nfs/dbraw/zinc/04/98/87/497049887.db2.gz QTCHECPPMQOMND-LJISPDSOSA-N 1 1 365.449 3.320 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C ZINC000248916416 497135558 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C[C@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC[N@H+]1C ZINC000302182325 498431183 /nfs/dbraw/zinc/43/11/83/498431183.db2.gz RESAOVDZJBINPM-RDJZCZTQSA-N 1 1 370.453 3.488 20 5 FGBDMO COCCC[NH+]1CCC(Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000302204095 498441827 /nfs/dbraw/zinc/44/18/27/498441827.db2.gz WELPUXWZZCGEOR-UHFFFAOYSA-N 1 1 358.442 3.364 20 5 FGBDMO C[C@@H](CCN1CC[NH+](C)CC1)Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000302305614 498466646 /nfs/dbraw/zinc/46/66/46/498466646.db2.gz ZKLQOVPDZMVJOD-INIZCTEOSA-N 1 1 369.469 3.095 20 5 FGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000282422243 498504816 /nfs/dbraw/zinc/50/48/16/498504816.db2.gz JMLUERDEYPHCMM-UHFFFAOYSA-N 1 1 361.486 3.354 20 5 FGBDMO COCc1nccc([C@H]2CCC[N@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000363036185 498614237 /nfs/dbraw/zinc/61/42/37/498614237.db2.gz CYZOQRJXUHCCRE-HOCLYGCPSA-N 1 1 356.426 3.472 20 5 FGBDMO C[C@@H]1[C@@H](N2CCCC2)CC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000287068652 498615211 /nfs/dbraw/zinc/61/52/11/498615211.db2.gz UUDKJLFZECHAMZ-QAPCUYQASA-N 1 1 370.453 3.351 20 5 FGBDMO C[C@@H]1[C@@H](N2CCCC2)CC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000287068652 498615206 /nfs/dbraw/zinc/61/52/06/498615206.db2.gz UUDKJLFZECHAMZ-QAPCUYQASA-N 1 1 370.453 3.351 20 5 FGBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000332299453 498639619 /nfs/dbraw/zinc/63/96/19/498639619.db2.gz UZUMZGNHXPPWTD-CVEARBPZSA-N 1 1 363.483 3.452 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000363123147 498662789 /nfs/dbraw/zinc/66/27/89/498662789.db2.gz YOYFFXLOYYABFP-CZUORRHYSA-N 1 1 368.397 3.239 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000363123147 498662796 /nfs/dbraw/zinc/66/27/96/498662796.db2.gz YOYFFXLOYYABFP-CZUORRHYSA-N 1 1 368.397 3.239 20 5 FGBDMO 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CO[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000363669072 498934674 /nfs/dbraw/zinc/93/46/74/498934674.db2.gz BETDCCANXNDFMY-YPMHNXCESA-N 1 1 355.822 3.076 20 5 FGBDMO CC(=O)c1cc(NC2CC[NH+](Cc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000283652680 498946872 /nfs/dbraw/zinc/94/68/72/498946872.db2.gz VIMOBTVNMWLLSM-UHFFFAOYSA-N 1 1 354.410 3.269 20 5 FGBDMO CCOc1cc(C[N@H+]2CC[C@](CO)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000291706461 499042527 /nfs/dbraw/zinc/04/25/27/499042527.db2.gz IGWSCKLULBYFKA-FQEVSTJZSA-N 1 1 356.422 3.130 20 5 FGBDMO O=C1Nc2ccccc2[C@@]12CC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000364007565 499083861 /nfs/dbraw/zinc/08/38/61/499083861.db2.gz XNMBGNIIJLZIKW-SFHVURJKSA-N 1 1 357.797 3.344 20 5 FGBDMO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000366875081 499102581 /nfs/dbraw/zinc/10/25/81/499102581.db2.gz GAJUFGWPHVPLSE-BRWVUGGUSA-N 1 1 357.410 3.495 20 5 FGBDMO Cc1c(NC(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2C)c(F)ccc1[N+](=O)[O-] ZINC000367093511 499147699 /nfs/dbraw/zinc/14/76/99/499147699.db2.gz UJKAFBWRHKSUIK-CABCVRRESA-N 1 1 350.394 3.133 20 5 FGBDMO C[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1c1cccnc1 ZINC000372591334 499150618 /nfs/dbraw/zinc/15/06/18/499150618.db2.gz FSFPBHXMZQCPIQ-GUYCJALGSA-N 1 1 357.370 3.003 20 5 FGBDMO COc1ccccc1CC1(O)CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000370718986 499247828 /nfs/dbraw/zinc/24/78/28/499247828.db2.gz HQXYPAFUMBBCAQ-UHFFFAOYSA-N 1 1 374.412 3.312 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000368581902 499309864 /nfs/dbraw/zinc/30/98/64/499309864.db2.gz SVMUUBYRMAJDGG-HNNXBMFYSA-N 1 1 357.454 3.240 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)ccc1Br ZINC000371331322 499311219 /nfs/dbraw/zinc/31/12/19/499311219.db2.gz GSJIYXKJXZFXCS-OLZOCXBDSA-N 1 1 355.232 3.216 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@@H](Cc4ccncc4)C3)n2)c1 ZINC000368615148 499313953 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CNVQXENDADWFLK-SFHVURJKSA-N 1 1 371.441 3.111 20 5 FGBDMO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCN(c2cnccn2)CC1 ZINC000369312613 499390450 /nfs/dbraw/zinc/39/04/50/499390450.db2.gz QQDJJDDVUGXZPZ-UHFFFAOYSA-N 1 1 361.833 3.139 20 5 FGBDMO COCC[C@@H]1CCCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000372097304 499399077 /nfs/dbraw/zinc/39/90/77/499399077.db2.gz YLJLRZGEQMXUNU-AWEZNQCLSA-N 1 1 360.414 3.283 20 5 FGBDMO Cc1nc(CO[C@@H]2CC[N@@H+](CCOc3ccccc3[N+](=O)[O-])C2)cs1 ZINC000372946872 499444253 /nfs/dbraw/zinc/44/42/53/499444253.db2.gz PHQWTVFUPDRMAA-OAHLLOKOSA-N 1 1 363.439 3.030 20 5 FGBDMO C[C@H](CNc1ccc2cc([N+](=O)[O-])ccc2n1)[N@@H+](C)Cc1ccccc1 ZINC000390598201 499554837 /nfs/dbraw/zinc/55/48/37/499554837.db2.gz YEYDAAHYJLUBKF-OAHLLOKOSA-N 1 1 350.422 3.497 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCCN(C(=O)c2ccoc2)CC1 ZINC000375863578 499563335 /nfs/dbraw/zinc/56/33/35/499563335.db2.gz YCLIMWJXKJCKET-OAHLLOKOSA-N 1 1 357.410 3.405 20 5 FGBDMO 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CC(=O)c1ccc(NC[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000377703516 499722669 /nfs/dbraw/zinc/72/26/69/499722669.db2.gz MQVUBOMHYBGUFJ-HNAYVOBHSA-N 1 1 371.441 3.026 20 5 FGBDMO CC(=O)c1ccc(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000377703516 499722671 /nfs/dbraw/zinc/72/26/71/499722671.db2.gz MQVUBOMHYBGUFJ-HNAYVOBHSA-N 1 1 371.441 3.026 20 5 FGBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000411436429 499740334 /nfs/dbraw/zinc/74/03/34/499740334.db2.gz FPEOIMHDKLFBTL-ZYSHUDEJSA-N 1 1 359.470 3.327 20 5 FGBDMO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000414477953 499797101 /nfs/dbraw/zinc/79/71/01/499797101.db2.gz FBUGATGXFOUYDZ-UHFFFAOYSA-N 1 1 368.842 3.332 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCO[C@@H](C4CCC4)C3)o2)c1 ZINC000411853603 499797254 /nfs/dbraw/zinc/79/72/54/499797254.db2.gz SGURDAVQFQBXIC-GOSISDBHSA-N 1 1 357.410 3.293 20 5 FGBDMO COC(=O)[C@]1(C)CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000412078668 499821310 /nfs/dbraw/zinc/82/13/10/499821310.db2.gz UOOHBTLYCICYAG-GOSISDBHSA-N 1 1 359.382 3.025 20 5 FGBDMO COC(=O)[C@]1(C)CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000412078668 499821311 /nfs/dbraw/zinc/82/13/11/499821311.db2.gz UOOHBTLYCICYAG-GOSISDBHSA-N 1 1 359.382 3.025 20 5 FGBDMO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412145932 499827868 /nfs/dbraw/zinc/82/78/68/499827868.db2.gz DRNZXPUPESPLRE-NZSAHSFTSA-N 1 1 357.454 3.079 20 5 FGBDMO COc1ccc(-c2ccc(CN3CC[C@@H](C)[C@@H](C[NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000415123742 499866737 /nfs/dbraw/zinc/86/67/37/499866737.db2.gz JOOSXNRBHGMQOI-KGLIPLIRSA-N 1 1 359.426 3.280 20 5 FGBDMO Cc1c(C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000412699906 499877236 /nfs/dbraw/zinc/87/72/36/499877236.db2.gz PZMZXLAPTAAYMX-OAHLLOKOSA-N 1 1 353.422 3.250 20 5 FGBDMO Cc1c(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000412699906 499877237 /nfs/dbraw/zinc/87/72/37/499877237.db2.gz PZMZXLAPTAAYMX-OAHLLOKOSA-N 1 1 353.422 3.250 20 5 FGBDMO C[C@]12CCC[N@H+]1C[C@H](c1noc(-c3cc(Cl)cc([N+](=O)[O-])c3)n1)OC2 ZINC000570436009 506167299 /nfs/dbraw/zinc/16/72/99/506167299.db2.gz WOVBOOHCANYDFI-CZUORRHYSA-N 1 1 364.789 3.224 20 5 FGBDMO Cc1ccc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000425001682 499988287 /nfs/dbraw/zinc/98/82/87/499988287.db2.gz KCIJBZXEMSAZKW-AZUAARDMSA-N 1 1 365.433 3.250 20 5 FGBDMO CCc1nc(NC(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])sc1C ZINC000429247356 500033424 /nfs/dbraw/zinc/03/34/24/500033424.db2.gz RKAAYMRBHJPFIP-UHFFFAOYSA-N 1 1 362.455 3.386 20 5 FGBDMO CCN1CCN(C[C@@H](C)C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417304354 500034559 /nfs/dbraw/zinc/03/45/59/500034559.db2.gz FHACUJCXGOKGHR-LAUBAEHRSA-N 1 1 374.529 3.226 20 5 FGBDMO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1nc(-c3ccccn3)n[nH]1)CCCC2 ZINC000417351616 500047212 /nfs/dbraw/zinc/04/72/12/500047212.db2.gz SJDHEFAXRSBHEU-INIZCTEOSA-N 1 1 364.409 3.332 20 5 FGBDMO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425424271 500101155 /nfs/dbraw/zinc/10/11/55/500101155.db2.gz WNJGGHDXWLEQNZ-DZGCQCFKSA-N 1 1 357.248 3.483 20 5 FGBDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425424271 500101158 /nfs/dbraw/zinc/10/11/58/500101158.db2.gz WNJGGHDXWLEQNZ-DZGCQCFKSA-N 1 1 357.248 3.483 20 5 FGBDMO C[C@H]1CC[C@@H]([N@@H+](CCO)Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425440744 500106998 /nfs/dbraw/zinc/10/69/98/500106998.db2.gz HDTPUZSIAVETMD-SMDDNHRTSA-N 1 1 357.248 3.340 20 5 FGBDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430227303 500212106 /nfs/dbraw/zinc/21/21/06/500212106.db2.gz QVDSCVJCABKBAX-GOEBONIOSA-N 1 1 363.458 3.120 20 5 FGBDMO CNC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000430772423 500283479 /nfs/dbraw/zinc/28/34/79/500283479.db2.gz BAAZGDCGARPNAM-SFHVURJKSA-N 1 1 359.451 3.281 20 5 FGBDMO O=[N+]([O-])c1cccc(Cl)c1NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000432164415 500478644 /nfs/dbraw/zinc/47/86/44/500478644.db2.gz DLSDYUMKXXBZQT-OAHLLOKOSA-N 1 1 361.829 3.427 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C2CCCC2)C1 ZINC000420959805 500541630 /nfs/dbraw/zinc/54/16/30/500541630.db2.gz FNRZOYMLHQQEIX-HNNXBMFYSA-N 1 1 361.442 3.444 20 5 FGBDMO Cc1c[nH+]ccc1OC1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000447688939 500646326 /nfs/dbraw/zinc/64/63/26/500646326.db2.gz ZMNVTBXPVKLBCM-UHFFFAOYSA-N 1 1 353.382 3.222 20 5 FGBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000447693975 500647454 /nfs/dbraw/zinc/64/74/54/500647454.db2.gz OVEMGBVTCLSFDD-UKRRQHHQSA-N 1 1 351.410 3.140 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CCCC[N@H+]1CC(C)C ZINC000443394240 500718215 /nfs/dbraw/zinc/71/82/15/500718215.db2.gz ZCBPNWVPXDCDCF-OAHLLOKOSA-N 1 1 364.446 3.235 20 5 FGBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000448254359 500739980 /nfs/dbraw/zinc/73/99/80/500739980.db2.gz DRCLSEMTBCJYMF-GOSISDBHSA-N 1 1 374.485 3.389 20 5 FGBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000448708769 500810208 /nfs/dbraw/zinc/81/02/08/500810208.db2.gz OOYYCCSLWGJMGQ-LLVKDONJSA-N 1 1 359.348 3.075 20 5 FGBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000448784584 500833297 /nfs/dbraw/zinc/83/32/97/500833297.db2.gz XDSUQHRZBQPOIP-NEPJUHHUSA-N 1 1 373.375 3.464 20 5 FGBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](CCO)[C@H]1CCCSC1 ZINC000438994707 500845472 /nfs/dbraw/zinc/84/54/72/500845472.db2.gz CGGAVUHBQPRJAF-INIZCTEOSA-N 1 1 354.472 3.072 20 5 FGBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCSC(C)(C)CC2)c([N+](=O)[O-])c1 ZINC000434663648 500875396 /nfs/dbraw/zinc/87/53/96/500875396.db2.gz GNOUGQACFSMCSD-LBPRGKRZSA-N 1 1 367.471 3.148 20 5 FGBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCSC(C)(C)CC2)c([N+](=O)[O-])c1 ZINC000434663648 500875398 /nfs/dbraw/zinc/87/53/98/500875398.db2.gz GNOUGQACFSMCSD-LBPRGKRZSA-N 1 1 367.471 3.148 20 5 FGBDMO Cc1ccc(F)c(C[N@@H+](C)CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)c1 ZINC000444742853 500891764 /nfs/dbraw/zinc/89/17/64/500891764.db2.gz GWVRWQPYQTTYKV-UHFFFAOYSA-N 1 1 373.384 3.472 20 5 FGBDMO CC(=O)N(C[C@H]1CCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000434774540 500892852 /nfs/dbraw/zinc/89/28/52/500892852.db2.gz MJAYBTDKVOGXGB-CQSZACIVSA-N 1 1 351.834 3.224 20 5 FGBDMO CC(=O)N(C[C@H]1CCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000434774540 500892856 /nfs/dbraw/zinc/89/28/56/500892856.db2.gz MJAYBTDKVOGXGB-CQSZACIVSA-N 1 1 351.834 3.224 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C[C@@H](O)COc1ccccc1)C(C)C ZINC000444820696 500906678 /nfs/dbraw/zinc/90/66/78/500906678.db2.gz WLMTTWXIQHXEFB-GOSISDBHSA-N 1 1 374.437 3.254 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000444892313 500918148 /nfs/dbraw/zinc/91/81/48/500918148.db2.gz AMPFOCOGCUPORK-UHFFFAOYSA-N 1 1 364.446 3.380 20 5 FGBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000445173560 500951558 /nfs/dbraw/zinc/95/15/58/500951558.db2.gz PCBZJRDQXKKDAL-HNNXBMFYSA-N 1 1 363.461 3.143 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000439935104 500957303 /nfs/dbraw/zinc/95/73/03/500957303.db2.gz UEZMOWXISYMYAT-AWEZNQCLSA-N 1 1 364.446 3.332 20 5 FGBDMO COc1ccc(-n2cc(C[N@@H+](C)CCc3ccccc3[N+](=O)[O-])cn2)cc1 ZINC000449316365 500975353 /nfs/dbraw/zinc/97/53/53/500975353.db2.gz NAJIRNMQSLHACP-UHFFFAOYSA-N 1 1 366.421 3.464 20 5 FGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000449336506 500981309 /nfs/dbraw/zinc/98/13/09/500981309.db2.gz NSULHOARQYMLEP-HNAYVOBHSA-N 1 1 355.438 3.205 20 5 FGBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000449336507 500981540 /nfs/dbraw/zinc/98/15/40/500981540.db2.gz NSULHOARQYMLEP-KXBFYZLASA-N 1 1 355.438 3.205 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000440177939 500984403 /nfs/dbraw/zinc/98/44/03/500984403.db2.gz YFBAZYDBWBNVAE-HNNXBMFYSA-N 1 1 364.446 3.235 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000449409832 500996349 /nfs/dbraw/zinc/99/63/49/500996349.db2.gz RDUPCMVGJOPTCZ-CQSZACIVSA-N 1 1 363.458 3.107 20 5 FGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000602610419 506229210 /nfs/dbraw/zinc/22/92/10/506229210.db2.gz WTOKFMZYTOJNGC-UHFFFAOYSA-N 1 1 374.359 3.243 20 5 FGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CCOCC2(CCOCC2)C1 ZINC000602610419 506229214 /nfs/dbraw/zinc/22/92/14/506229214.db2.gz WTOKFMZYTOJNGC-UHFFFAOYSA-N 1 1 374.359 3.243 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cc(-c4ccccc4)no3)C2)nc1 ZINC000440496381 501016288 /nfs/dbraw/zinc/01/62/88/501016288.db2.gz RVTOIRKMCQIRHR-OAHLLOKOSA-N 1 1 365.393 3.331 20 5 FGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@](C)(NCC(=O)OC(C)(C)C)C1 ZINC000440522592 501018602 /nfs/dbraw/zinc/01/86/02/501018602.db2.gz OQUNLHMTAGXWKY-IFXJQAMLSA-N 1 1 363.458 3.052 20 5 FGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@](C)(NCC(=O)OC(C)(C)C)C1 ZINC000440522592 501018604 /nfs/dbraw/zinc/01/86/04/501018604.db2.gz OQUNLHMTAGXWKY-IFXJQAMLSA-N 1 1 363.458 3.052 20 5 FGBDMO C[C@H]1CN(CC(F)(F)F)CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000449661486 501053058 /nfs/dbraw/zinc/05/30/58/501053058.db2.gz CDFLBHROTIBOGC-YVARQFDVSA-N 1 1 357.376 3.424 20 5 FGBDMO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000449661486 501053060 /nfs/dbraw/zinc/05/30/60/501053060.db2.gz CDFLBHROTIBOGC-YVARQFDVSA-N 1 1 357.376 3.424 20 5 FGBDMO CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000449744331 501072723 /nfs/dbraw/zinc/07/27/23/501072723.db2.gz GIDAHQVXXNZQRL-AWEZNQCLSA-N 1 1 372.425 3.090 20 5 FGBDMO CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000449744331 501072725 /nfs/dbraw/zinc/07/27/25/501072725.db2.gz GIDAHQVXXNZQRL-AWEZNQCLSA-N 1 1 372.425 3.090 20 5 FGBDMO COc1ccc(OCC[N@@H+](C)[C@H](C)[C@H]2Cc3ccccc3O2)c([N+](=O)[O-])c1 ZINC000441056445 501081370 /nfs/dbraw/zinc/08/13/70/501081370.db2.gz YLQJNTYJSMFNRM-JLTOFOAXSA-N 1 1 372.421 3.306 20 5 FGBDMO CCOc1ccc2c(c1)CC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C2 ZINC000441089107 501086611 /nfs/dbraw/zinc/08/66/11/501086611.db2.gz IQAJNKMDBBAMRP-UHFFFAOYSA-N 1 1 372.421 3.439 20 5 FGBDMO CCOc1ccc2c(c1)CC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C2 ZINC000441089107 501086613 /nfs/dbraw/zinc/08/66/13/501086613.db2.gz IQAJNKMDBBAMRP-UHFFFAOYSA-N 1 1 372.421 3.439 20 5 FGBDMO COc1cccc([C@H]2[C@@H](Nc3ncc([N+](=O)[O-])c(C)n3)CC[N@H+]2C2CC2)c1 ZINC000450428528 501119517 /nfs/dbraw/zinc/11/95/17/501119517.db2.gz IKGVPEDFVQJLCW-WMZOPIPTSA-N 1 1 369.425 3.092 20 5 FGBDMO CC(C)c1ccc(C[NH2+][C@@]2(CO)CCOc3ccccc32)cc1[N+](=O)[O-] ZINC000441327485 501121112 /nfs/dbraw/zinc/12/11/12/501121112.db2.gz HHSSJXBUFWOZTB-HXUWFJFHSA-N 1 1 356.422 3.478 20 5 FGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCN1CCN(c2ccccc2)CC1 ZINC000441399299 501133038 /nfs/dbraw/zinc/13/30/38/501133038.db2.gz JKWQJATWDQTCKZ-GOSISDBHSA-N 1 1 368.481 3.410 20 5 FGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCN1CCN(c2ccccc2)CC1 ZINC000441399299 501133041 /nfs/dbraw/zinc/13/30/41/501133041.db2.gz JKWQJATWDQTCKZ-GOSISDBHSA-N 1 1 368.481 3.410 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2csc(NC[C@@H]3CCc4[nH+]ccn4C3)n2)cc1 ZINC000450487661 501134800 /nfs/dbraw/zinc/13/48/00/501134800.db2.gz DXIUSXIBSSKZPR-LBPRGKRZSA-N 1 1 355.423 3.011 20 5 FGBDMO C[C@H]1C[C@H](N(C)C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000449988278 501146867 /nfs/dbraw/zinc/14/68/67/501146867.db2.gz SBTXWZDXKJGVJS-CMPLNLGQSA-N 1 1 359.348 3.168 20 5 FGBDMO Cc1[nH+]ccn1-c1cncc(N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000450758529 501202081 /nfs/dbraw/zinc/20/20/81/501202081.db2.gz LVKZQFBIPSBEMV-MRXNPFEDSA-N 1 1 364.409 3.263 20 5 FGBDMO C[C@@H]1Cc2c([nH+]cn2CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000451004313 501238499 /nfs/dbraw/zinc/23/84/99/501238499.db2.gz WQFWSVZIRIJWCC-QWHCGFSZSA-N 1 1 370.409 3.160 20 5 FGBDMO C[C@@H]1Cc2[nH+]cn(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c2C[C@H]1C ZINC000451334702 501267877 /nfs/dbraw/zinc/26/78/77/501267877.db2.gz BCUHUZBWTGBJIA-GHMZBOCLSA-N 1 1 362.817 3.454 20 5 FGBDMO CCc1ccc([C@@H]([NH2+]C[C@]2(C)CCC(=O)N2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000453425133 501328952 /nfs/dbraw/zinc/32/89/52/501328952.db2.gz ODIZNWZFOPHQMN-OALUTQOASA-N 1 1 357.410 3.098 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@@H]4C[C@@H](O)CC[C@H]4C3)co2)cc1 ZINC000451704765 501355832 /nfs/dbraw/zinc/35/58/32/501355832.db2.gz XQXQKXCTOUQPDN-VKJFTORMSA-N 1 1 357.410 3.233 20 5 FGBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCC[C@H]2c2ccc(Cl)cc2)c1 ZINC000451730800 501362061 /nfs/dbraw/zinc/36/20/61/501362061.db2.gz CBMXOWGNIGRDLB-SJORKVTESA-N 1 1 364.833 3.033 20 5 FGBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000451824860 501380540 /nfs/dbraw/zinc/38/05/40/501380540.db2.gz PRYJBTNSRDGYCG-LLVKDONJSA-N 1 1 361.364 3.464 20 5 FGBDMO CO[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C12CCC2 ZINC000451854474 501386328 /nfs/dbraw/zinc/38/63/28/501386328.db2.gz QVPRAHOZEQEAOX-IAGOWNOFSA-N 1 1 361.442 3.121 20 5 FGBDMO CCc1nc2ccccc2n1C1CC[NH+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602661966 506250541 /nfs/dbraw/zinc/25/05/41/506250541.db2.gz JTFKDJBMHKXWNM-UHFFFAOYSA-N 1 1 368.441 3.078 20 5 FGBDMO O=C([C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1)N1CCCC1 ZINC000602662924 506251510 /nfs/dbraw/zinc/25/15/10/506251510.db2.gz CAPNHMPVHBIALV-ZDUSSCGKSA-N 1 1 371.359 3.058 20 5 FGBDMO COC(=O)[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@H]1c1ccccc1 ZINC000451997587 501415640 /nfs/dbraw/zinc/41/56/40/501415640.db2.gz ALHFIHUZXAVFCE-ZWKOTPCHSA-N 1 1 354.406 3.292 20 5 FGBDMO CC[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)C1 ZINC000596094019 506253115 /nfs/dbraw/zinc/25/31/15/506253115.db2.gz GYOJNFZIWCLJOT-LLVKDONJSA-N 1 1 355.822 3.179 20 5 FGBDMO C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456306134 501493316 /nfs/dbraw/zinc/49/33/16/501493316.db2.gz MNTVZGBIQYZZRJ-QGZVFWFLSA-N 1 1 367.449 3.118 20 5 FGBDMO C[C@@H]1CN(c2ccccc2C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC000459341012 501634879 /nfs/dbraw/zinc/63/48/79/501634879.db2.gz GAIHRTREDJENLC-MRXNPFEDSA-N 1 1 367.449 3.378 20 5 FGBDMO C[C@@H]1CN(c2ccccc2C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC000459341012 501634880 /nfs/dbraw/zinc/63/48/80/501634880.db2.gz GAIHRTREDJENLC-MRXNPFEDSA-N 1 1 367.449 3.378 20 5 FGBDMO C[N@@H+](CCCCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000457204025 501664574 /nfs/dbraw/zinc/66/45/74/501664574.db2.gz PFKXJURXJJBTBS-UHFFFAOYSA-N 1 1 374.466 3.323 20 5 FGBDMO O=[N+]([O-])c1cc(C[NH2+][C@H](c2ccccn2)C2CCC2)c2c(c1)COCO2 ZINC000598992984 506267112 /nfs/dbraw/zinc/26/71/12/506267112.db2.gz GLYSHCYJAUGPSQ-SFHVURJKSA-N 1 1 355.394 3.487 20 5 FGBDMO Cc1[nH+]ccn1-c1ccccc1CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611710828 506267555 /nfs/dbraw/zinc/26/75/55/506267555.db2.gz YMSGRGOATDDSNT-UHFFFAOYSA-N 1 1 360.377 3.066 20 5 FGBDMO NC(=O)C1([NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])C2CC3CC(C2)CC1C3 ZINC000459780730 501713034 /nfs/dbraw/zinc/71/30/34/501713034.db2.gz RRCNIJGWGGUEHC-UHFFFAOYSA-N 1 1 363.845 3.018 20 5 FGBDMO O=C(Nc1ccc(-c2ncc3n2CCCC3)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000481495771 501791427 /nfs/dbraw/zinc/79/14/27/501791427.db2.gz IRTDKCNLDHKYRS-UHFFFAOYSA-N 1 1 351.366 3.375 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](Cc4ccccc4)CC3)nc2c1 ZINC000460351777 501800355 /nfs/dbraw/zinc/80/03/55/501800355.db2.gz WSFCWSVNQUJGQO-UHFFFAOYSA-N 1 1 351.410 3.183 20 5 FGBDMO CC(=O)N[C@@H](C)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000481589745 501824781 /nfs/dbraw/zinc/82/47/81/501824781.db2.gz VRKIWZPKTDEVQE-AWEZNQCLSA-N 1 1 363.458 3.119 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474435780 501836545 /nfs/dbraw/zinc/83/65/45/501836545.db2.gz TXIGMJGPIHKWGI-INIZCTEOSA-N 1 1 354.410 3.299 20 5 FGBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000460493829 501839345 /nfs/dbraw/zinc/83/93/45/501839345.db2.gz XRKIKGWHAVWDHP-YOEHRIQHSA-N 1 1 350.463 3.466 20 5 FGBDMO Cc1ccc([C@H]2CC[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)c(C)c1 ZINC000471022128 501895026 /nfs/dbraw/zinc/89/50/26/501895026.db2.gz LZANRRRXPFGKMX-PKOBYXMFSA-N 1 1 370.449 3.441 20 5 FGBDMO Nc1ccc(N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)nc1[N+](=O)[O-] ZINC000596150517 506281168 /nfs/dbraw/zinc/28/11/68/506281168.db2.gz CJQMOBNINNRKQA-HXUWFJFHSA-N 1 1 367.453 3.065 20 5 FGBDMO CSc1cccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000485750786 501924527 /nfs/dbraw/zinc/92/45/27/501924527.db2.gz COSLENDAKWEUDQ-HNNXBMFYSA-N 1 1 371.462 3.321 20 5 FGBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000461039757 501996588 /nfs/dbraw/zinc/99/65/88/501996588.db2.gz ZCWXZGKDOLVIKO-CYBMUJFWSA-N 1 1 369.440 3.279 20 5 FGBDMO CCc1ccc([C@@H]([NH2+]C[C@]2(OC)CCOC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000461090048 502009550 /nfs/dbraw/zinc/00/95/50/502009550.db2.gz YIXQEXKPUSOEME-RBUKOAKNSA-N 1 1 360.410 3.235 20 5 FGBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000468470646 502069941 /nfs/dbraw/zinc/06/99/41/502069941.db2.gz BYQKTUNKHGILPP-AWEZNQCLSA-N 1 1 371.384 3.046 20 5 FGBDMO Cc1c(CNC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000478796643 502088999 /nfs/dbraw/zinc/08/89/99/502088999.db2.gz QECKDJKQPAJDQZ-CQSZACIVSA-N 1 1 362.474 3.213 20 5 FGBDMO CCCCOC1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000464853044 502121401 /nfs/dbraw/zinc/12/14/01/502121401.db2.gz RXKMRDCSOXUYKN-UHFFFAOYSA-N 1 1 360.414 3.426 20 5 FGBDMO CCN1CC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C[C@H]1c1ncc[nH]1 ZINC000475349814 502144606 /nfs/dbraw/zinc/14/46/06/502144606.db2.gz OICFBIJBLLHVJV-OTMARIDSSA-N 1 1 355.442 3.100 20 5 FGBDMO CCN1CC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C[C@H]1c1ncc[nH]1 ZINC000475349814 502144608 /nfs/dbraw/zinc/14/46/08/502144608.db2.gz OICFBIJBLLHVJV-OTMARIDSSA-N 1 1 355.442 3.100 20 5 FGBDMO COc1ccc(C[N@H+]2CCC[C@]2(CO)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000475378138 502154316 /nfs/dbraw/zinc/15/43/16/502154316.db2.gz XYWYJBDELSFHIK-HXUWFJFHSA-N 1 1 356.422 3.173 20 5 FGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000602785029 506299289 /nfs/dbraw/zinc/29/92/89/506299289.db2.gz RNBFXXSRUSHAMB-CQSZACIVSA-N 1 1 355.398 3.121 20 5 FGBDMO C[N@H+](CCC(=O)c1ccc2c(c1)OCCO2)Cc1ccccc1[N+](=O)[O-] ZINC000486732942 502245597 /nfs/dbraw/zinc/24/55/97/502245597.db2.gz DMEWJVKPTYBVOF-UHFFFAOYSA-N 1 1 356.378 3.071 20 5 FGBDMO C[N@@H+](CCC(=O)c1ccc2c(c1)OCCO2)Cc1ccccc1[N+](=O)[O-] ZINC000486732942 502245601 /nfs/dbraw/zinc/24/56/01/502245601.db2.gz DMEWJVKPTYBVOF-UHFFFAOYSA-N 1 1 356.378 3.071 20 5 FGBDMO CCCCC[C@@H]1CCC[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000486775886 502257560 /nfs/dbraw/zinc/25/75/60/502257560.db2.gz IVQGSGRAWBKGQM-CYBMUJFWSA-N 1 1 363.414 3.307 20 5 FGBDMO CCCCC[C@@H]1CCC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000486775886 502257567 /nfs/dbraw/zinc/25/75/67/502257567.db2.gz IVQGSGRAWBKGQM-CYBMUJFWSA-N 1 1 363.414 3.307 20 5 FGBDMO CN(C(=O)C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000483097897 502270897 /nfs/dbraw/zinc/27/08/97/502270897.db2.gz BCVCLPCOFXOBDH-OAHLLOKOSA-N 1 1 357.385 3.186 20 5 FGBDMO CN(C(=O)C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000483097897 502270900 /nfs/dbraw/zinc/27/09/00/502270900.db2.gz BCVCLPCOFXOBDH-OAHLLOKOSA-N 1 1 357.385 3.186 20 5 FGBDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000469042700 502275608 /nfs/dbraw/zinc/27/56/08/502275608.db2.gz PHPFCDOLOKQNKJ-HXUWFJFHSA-N 1 1 369.465 3.410 20 5 FGBDMO C[C@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000472318305 502313374 /nfs/dbraw/zinc/31/33/74/502313374.db2.gz SHSUWWHMYXSYDG-DOTOQJQBSA-N 1 1 353.422 3.486 20 5 FGBDMO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000472326526 502315644 /nfs/dbraw/zinc/31/56/44/502315644.db2.gz ZICOXDGRTDVXCE-POAQFYNOSA-N 1 1 370.449 3.288 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccc(OCC4CC4)cc3)C2)nc1 ZINC000483260441 502330980 /nfs/dbraw/zinc/33/09/80/502330980.db2.gz BRMIONHAVVLRLG-KRWDZBQOSA-N 1 1 368.437 3.465 20 5 FGBDMO COCC[N@@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])[C@H]1CC[C@H](C)C1 ZINC000483402817 502375621 /nfs/dbraw/zinc/37/56/21/502375621.db2.gz HFJYYWFLYTUEOV-ZFWWWQNUSA-N 1 1 352.431 3.249 20 5 FGBDMO CCc1cc(N(C)CC[N@@H+](C)C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000472666878 502413896 /nfs/dbraw/zinc/41/38/96/502413896.db2.gz AXRHFZAWTFILTF-UHFFFAOYSA-N 1 1 355.442 3.145 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+]2CCc3cc(C)ccc3C2)cc1[N+](=O)[O-] ZINC000483647584 502451751 /nfs/dbraw/zinc/45/17/51/502451751.db2.gz BQRCLXGQCVTFFQ-UHFFFAOYSA-N 1 1 370.405 3.013 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CCc3cc(C)ccc3C2)cc1[N+](=O)[O-] ZINC000483647584 502451756 /nfs/dbraw/zinc/45/17/56/502451756.db2.gz BQRCLXGQCVTFFQ-UHFFFAOYSA-N 1 1 370.405 3.013 20 5 FGBDMO CCOC(=O)c1c[nH+]ccc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000480065174 502461605 /nfs/dbraw/zinc/46/16/05/502461605.db2.gz ZLOOPBFXEZDRNL-UHFFFAOYSA-N 1 1 371.393 3.214 20 5 FGBDMO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000469681139 502500592 /nfs/dbraw/zinc/50/05/92/502500592.db2.gz QPIPYEPYJCWZOS-HXUWFJFHSA-N 1 1 367.449 3.308 20 5 FGBDMO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000469681139 502500597 /nfs/dbraw/zinc/50/05/97/502500597.db2.gz QPIPYEPYJCWZOS-HXUWFJFHSA-N 1 1 367.449 3.308 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473506503 502614393 /nfs/dbraw/zinc/61/43/93/502614393.db2.gz IIWKATWOMIDSMB-HXUWFJFHSA-N 1 1 368.437 3.051 20 5 FGBDMO C[C@H]1[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000484333781 502627240 /nfs/dbraw/zinc/62/72/40/502627240.db2.gz BBCFZTQAFMRXCW-HNAYVOBHSA-N 1 1 368.437 3.057 20 5 FGBDMO CNc1c(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cccc1[N+](=O)[O-] ZINC000462987463 502651020 /nfs/dbraw/zinc/65/10/20/502651020.db2.gz HTMAYSGHEMFLSP-HZPDHXFCSA-N 1 1 374.485 3.363 20 5 FGBDMO CCCCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1(C)C ZINC000477058897 502664856 /nfs/dbraw/zinc/66/48/56/502664856.db2.gz QOCCPMSSXIGYSV-IAGOWNOFSA-N 1 1 363.458 3.109 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000477059168 502666178 /nfs/dbraw/zinc/66/61/78/502666178.db2.gz SKXSVSZPBXPCLD-IBGZPJMESA-N 1 1 361.442 3.124 20 5 FGBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000470146669 502678316 /nfs/dbraw/zinc/67/83/16/502678316.db2.gz KTKHGEUFRWAOHB-DFHBCGBQSA-N 1 1 371.462 3.409 20 5 FGBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000463062686 502680201 /nfs/dbraw/zinc/68/02/01/502680201.db2.gz QJPPJHXXGYWCRL-HNNXBMFYSA-N 1 1 362.474 3.389 20 5 FGBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000463064594 502680807 /nfs/dbraw/zinc/68/08/07/502680807.db2.gz OAURTOLTPQSKMH-AWEZNQCLSA-N 1 1 350.463 3.250 20 5 FGBDMO CC(C)(C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000484696797 502711594 /nfs/dbraw/zinc/71/15/94/502711594.db2.gz SEOUWEBOIIOWOT-QAPCUYQASA-N 1 1 371.481 3.348 20 5 FGBDMO CC(C)(C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000484696798 502712042 /nfs/dbraw/zinc/71/20/42/502712042.db2.gz SEOUWEBOIIOWOT-YJBOKZPZSA-N 1 1 371.481 3.348 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](O)C2(C)C)cc1OC ZINC000463219336 502724734 /nfs/dbraw/zinc/72/47/34/502724734.db2.gz OZCJXGXMOLBXEM-UGSOOPFHSA-N 1 1 366.458 3.374 20 5 FGBDMO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@H](O)C2(C)C)cc1OC ZINC000463219336 502724738 /nfs/dbraw/zinc/72/47/38/502724738.db2.gz OZCJXGXMOLBXEM-UGSOOPFHSA-N 1 1 366.458 3.374 20 5 FGBDMO COCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CC[C@H](C)C1 ZINC000484856845 502756604 /nfs/dbraw/zinc/75/66/04/502756604.db2.gz JPUHVWHBTRPMCL-HOCLYGCPSA-N 1 1 363.458 3.369 20 5 FGBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000470383590 502757051 /nfs/dbraw/zinc/75/70/51/502757051.db2.gz RNPFBYIHSBYGNP-UHFFFAOYSA-N 1 1 359.357 3.121 20 5 FGBDMO COCC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CC[C@@H](C)C1 ZINC000484897005 502768637 /nfs/dbraw/zinc/76/86/37/502768637.db2.gz ZVCOJDMPETUMCQ-CJNGLKHVSA-N 1 1 360.414 3.282 20 5 FGBDMO CCOc1ccc([C@H](C)NC[C@]2([NH+](C)C)CCSC2)cc1[N+](=O)[O-] ZINC000504895570 502819853 /nfs/dbraw/zinc/81/98/53/502819853.db2.gz USWGGRKAPYWVCF-SUMWQHHRSA-N 1 1 353.488 3.081 20 5 FGBDMO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000504913881 502823169 /nfs/dbraw/zinc/82/31/69/502823169.db2.gz IIKCTEWNJCGJCW-KRWDZBQOSA-N 1 1 354.410 3.381 20 5 FGBDMO COc1ccc(C[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1C ZINC000489063338 502871876 /nfs/dbraw/zinc/87/18/76/502871876.db2.gz PSXZDQDSYOVUNS-UHFFFAOYSA-N 1 1 357.410 3.372 20 5 FGBDMO CC(C)[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC(=O)N1CCCCCC1 ZINC000513240353 502887567 /nfs/dbraw/zinc/88/75/67/502887567.db2.gz AAVOYJUYFKPYAD-UHFFFAOYSA-N 1 1 363.458 3.087 20 5 FGBDMO Cc1cc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000513249816 502888630 /nfs/dbraw/zinc/88/86/30/502888630.db2.gz RSUKVCTVYFPKOW-GOSISDBHSA-N 1 1 353.422 3.298 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000509488216 502916633 /nfs/dbraw/zinc/91/66/33/502916633.db2.gz JRAUOQSQQSZZLP-OLZOCXBDSA-N 1 1 351.472 3.262 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000509488216 502916636 /nfs/dbraw/zinc/91/66/36/502916636.db2.gz JRAUOQSQQSZZLP-OLZOCXBDSA-N 1 1 351.472 3.262 20 5 FGBDMO COc1cc(C[N@@H+]2CCN(C)c3ccccc3C2)c([N+](=O)[O-])cc1OC ZINC000513381205 502920518 /nfs/dbraw/zinc/92/05/18/502920518.db2.gz QJBWZFAQVSRCFT-UHFFFAOYSA-N 1 1 357.410 3.064 20 5 FGBDMO COc1cc(C[N@H+]2CCN(C)c3ccccc3C2)c([N+](=O)[O-])cc1OC ZINC000513381205 502920521 /nfs/dbraw/zinc/92/05/21/502920521.db2.gz QJBWZFAQVSRCFT-UHFFFAOYSA-N 1 1 357.410 3.064 20 5 FGBDMO CCc1ccc([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3C)CC[NH2+]2)cc1 ZINC000505544230 502931742 /nfs/dbraw/zinc/93/17/42/502931742.db2.gz ZYGODNMBBFLKMO-IBGZPJMESA-N 1 1 353.422 3.252 20 5 FGBDMO COc1ccc(CCC[N@@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000497474511 502967462 /nfs/dbraw/zinc/96/74/62/502967462.db2.gz NLSDFWQWQYXUHJ-OAHLLOKOSA-N 1 1 371.437 3.495 20 5 FGBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000599149696 506347111 /nfs/dbraw/zinc/34/71/11/506347111.db2.gz UFBUFBGJKOWQLT-SFHVURJKSA-N 1 1 374.485 3.186 20 5 FGBDMO CN1CC[N@@H+](CCCNc2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000506051574 503036454 /nfs/dbraw/zinc/03/64/54/503036454.db2.gz LXQUGYMZXSPQQL-FQEVSTJZSA-N 1 1 354.454 3.386 20 5 FGBDMO C[N@@H+]1CCN(CCCNc2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000506051574 503036459 /nfs/dbraw/zinc/03/64/59/503036459.db2.gz LXQUGYMZXSPQQL-FQEVSTJZSA-N 1 1 354.454 3.386 20 5 FGBDMO C[N@H+]1CCN(CCCNc2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000506051574 503036464 /nfs/dbraw/zinc/03/64/64/503036464.db2.gz LXQUGYMZXSPQQL-FQEVSTJZSA-N 1 1 354.454 3.386 20 5 FGBDMO O=C(c1ccccc1)N1CC[C@H](C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000514079777 503082564 /nfs/dbraw/zinc/08/25/64/503082564.db2.gz JKGSFHFBPJDSAR-MRXNPFEDSA-N 1 1 365.433 3.115 20 5 FGBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000506275668 503084154 /nfs/dbraw/zinc/08/41/54/503084154.db2.gz OTIVCDVVQDHNMD-KBPBESRZSA-N 1 1 351.472 3.066 20 5 FGBDMO COC(=O)c1c(Cl)c(NC[C@H]2CC[N@H+]2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000596309772 506351145 /nfs/dbraw/zinc/35/11/45/506351145.db2.gz WHHLQGHLJQGPDZ-SNVBAGLBSA-N 1 1 355.822 3.320 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000602925336 506354581 /nfs/dbraw/zinc/35/45/81/506354581.db2.gz MLAMRPKZUCAXKU-HNNXBMFYSA-N 1 1 370.327 3.445 20 5 FGBDMO Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])c(C)s2)[NH+]2CCCC2)o1 ZINC000506455454 503117592 /nfs/dbraw/zinc/11/75/92/503117592.db2.gz YQMWLUCYERYYPV-CQSZACIVSA-N 1 1 363.439 3.433 20 5 FGBDMO CCC[N@H+]1CC[C@@H](CNc2cc(CC)nc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000506979814 503205236 /nfs/dbraw/zinc/20/52/36/503205236.db2.gz RVSOKNIWSVNQKD-HNNXBMFYSA-N 1 1 369.469 3.180 20 5 FGBDMO C[C@H](CSc1ccccc1)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000593046948 506357923 /nfs/dbraw/zinc/35/79/23/506357923.db2.gz VGFGMWBKVOJTNG-CYBMUJFWSA-N 1 1 359.451 3.306 20 5 FGBDMO C[C@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)[N@H+]1CCCC[C@@H]1C ZINC000510875795 503208500 /nfs/dbraw/zinc/20/85/00/503208500.db2.gz FNSPBSIMLPIWDG-JKSUJKDBSA-N 1 1 362.474 3.042 20 5 FGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000511098149 503253767 /nfs/dbraw/zinc/25/37/67/503253767.db2.gz ZSWBEKVDRLDWIL-LJQANCHMSA-N 1 1 371.412 3.404 20 5 FGBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000511108287 503256785 /nfs/dbraw/zinc/25/67/85/503256785.db2.gz PTNWOUSMIUJIMV-IBGZPJMESA-N 1 1 371.412 3.228 20 5 FGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000511108287 503256788 /nfs/dbraw/zinc/25/67/88/503256788.db2.gz PTNWOUSMIUJIMV-IBGZPJMESA-N 1 1 371.412 3.228 20 5 FGBDMO Cn1c2ccc(C[N@H+](Cc3ccccc3[N+](=O)[O-])C3CC3)cc2oc1=O ZINC000507242999 503257633 /nfs/dbraw/zinc/25/76/33/503257633.db2.gz IYQCRIRIWVXEEW-UHFFFAOYSA-N 1 1 353.378 3.204 20 5 FGBDMO Cn1c2ccc(C[N@@H+](Cc3ccccc3[N+](=O)[O-])C3CC3)cc2oc1=O ZINC000507242999 503257634 /nfs/dbraw/zinc/25/76/34/503257634.db2.gz IYQCRIRIWVXEEW-UHFFFAOYSA-N 1 1 353.378 3.204 20 5 FGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1ccc(Cl)cc1 ZINC000511135697 503266187 /nfs/dbraw/zinc/26/61/87/503266187.db2.gz HAOFEGQPHXVMBT-MRXNPFEDSA-N 1 1 364.829 3.162 20 5 FGBDMO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000491204618 503285840 /nfs/dbraw/zinc/28/58/40/503285840.db2.gz BIWUNEKZMREAMW-HIFRSBDPSA-N 1 1 351.422 3.251 20 5 FGBDMO Cc1ccccc1[C@]1(F)CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000502907874 503305762 /nfs/dbraw/zinc/30/57/62/503305762.db2.gz VBKYASCJWSAYGP-XLIONFOSSA-N 1 1 374.412 3.214 20 5 FGBDMO Cc1ccccc1[C@]1(F)CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000502907874 503305765 /nfs/dbraw/zinc/30/57/65/503305765.db2.gz VBKYASCJWSAYGP-XLIONFOSSA-N 1 1 374.412 3.214 20 5 FGBDMO CCOc1cc(CN2CC[N@@H+](C)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000492772060 503384590 /nfs/dbraw/zinc/38/45/90/503384590.db2.gz NFYJOKSFEZMDAO-LJQANCHMSA-N 1 1 355.438 3.482 20 5 FGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)cc1 ZINC000511781565 503386100 /nfs/dbraw/zinc/38/61/00/503386100.db2.gz PNTBOCDMSOOSQM-NJYVYQBISA-N 1 1 368.433 3.478 20 5 FGBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)cc1 ZINC000511781564 503386230 /nfs/dbraw/zinc/38/62/30/503386230.db2.gz PNTBOCDMSOOSQM-NJDAHSKKSA-N 1 1 368.433 3.478 20 5 FGBDMO NC(=O)c1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000511873655 503405220 /nfs/dbraw/zinc/40/52/20/503405220.db2.gz OXUBERXAGBHMNJ-OTWHNJEPSA-N 1 1 365.433 3.462 20 5 FGBDMO CCC[C@@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)CC[N@H+]1CCOC ZINC000499659487 503451820 /nfs/dbraw/zinc/45/18/20/503451820.db2.gz UZDHJRIUDGRKDN-OAHLLOKOSA-N 1 1 358.442 3.080 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000494345064 503528132 /nfs/dbraw/zinc/52/81/32/503528132.db2.gz VMVQQYMWKZCXKX-CQSZACIVSA-N 1 1 358.442 3.461 20 5 FGBDMO O=C1CC[C@H]2C[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CCN12 ZINC000512419743 503545277 /nfs/dbraw/zinc/54/52/77/503545277.db2.gz BVOCVHDNMWUCTG-ZDUSSCGKSA-N 1 1 357.435 3.130 20 5 FGBDMO O=C1CC[C@H]2C[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CCN12 ZINC000512419743 503545282 /nfs/dbraw/zinc/54/52/82/503545282.db2.gz BVOCVHDNMWUCTG-ZDUSSCGKSA-N 1 1 357.435 3.130 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000494662291 503587140 /nfs/dbraw/zinc/58/71/40/503587140.db2.gz RTUCJZXGSXAMFJ-HOCLYGCPSA-N 1 1 369.421 3.169 20 5 FGBDMO C[C@@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000516828213 503595028 /nfs/dbraw/zinc/59/50/28/503595028.db2.gz IJBHWTWAXOGGOP-JKSUJKDBSA-N 1 1 355.438 3.335 20 5 FGBDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000500443019 503626162 /nfs/dbraw/zinc/62/61/62/503626162.db2.gz SGEXYCIXTDYMRZ-HUUCEWRRSA-N 1 1 371.412 3.469 20 5 FGBDMO 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505036904 /nfs/dbraw/zinc/03/69/04/505036904.db2.gz VMMAHXPBXIHQQO-INIZCTEOSA-N 1 1 368.437 3.487 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000550445161 505045825 /nfs/dbraw/zinc/04/58/25/505045825.db2.gz PDMYQRJBJUHJPT-HOCLYGCPSA-N 1 1 361.442 3.443 20 5 FGBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000550687387 505084576 /nfs/dbraw/zinc/08/45/76/505084576.db2.gz DBMZAVKZEQMLDV-JTQLQIEISA-N 1 1 372.263 3.126 20 5 FGBDMO Cn1cc(C[N@@H+]2CCOC[C@@H]2CC2CCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000560627950 505149437 /nfs/dbraw/zinc/14/94/37/505149437.db2.gz NIOWFVMJEOFJOT-IBGZPJMESA-N 1 1 370.453 3.386 20 5 FGBDMO Cn1cc(C[N@H+]2CCOC[C@@H]2CC2CCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000560627950 505149440 /nfs/dbraw/zinc/14/94/40/505149440.db2.gz NIOWFVMJEOFJOT-IBGZPJMESA-N 1 1 370.453 3.386 20 5 FGBDMO C[N@H+]1CCC[C@H](CNc2cccc(C(N)=O)c2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000557589252 505176803 /nfs/dbraw/zinc/17/68/03/505176803.db2.gz 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Cn1ccnc1[C@H]([NH2+]C[C@@](C)(O)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000552283404 505450120 /nfs/dbraw/zinc/45/01/20/505450120.db2.gz BTCAVZZOPHEWMC-UYAOXDASSA-N 1 1 372.469 3.339 20 5 FGBDMO O=C(c1ccccc1)N1CC[C@@H](C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000558723956 505474366 /nfs/dbraw/zinc/47/43/66/505474366.db2.gz OWOKVHUEKVAREX-INIZCTEOSA-N 1 1 365.433 3.115 20 5 FGBDMO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558740421 505479995 /nfs/dbraw/zinc/47/99/95/505479995.db2.gz JDNMBNMTIPWPIY-GFCCVEGCSA-N 1 1 363.364 3.375 20 5 FGBDMO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558740421 505479997 /nfs/dbraw/zinc/47/99/97/505479997.db2.gz JDNMBNMTIPWPIY-GFCCVEGCSA-N 1 1 363.364 3.375 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@H](c3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000564920447 505558157 /nfs/dbraw/zinc/55/81/57/505558157.db2.gz VXOGHQHDPOBKAC-INIZCTEOSA-N 1 1 354.410 3.116 20 5 FGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000588985368 506405624 /nfs/dbraw/zinc/40/56/24/506405624.db2.gz SGZIUMDSVQSGJI-LJQANCHMSA-N 1 1 362.376 3.300 20 5 FGBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000588985368 506405629 /nfs/dbraw/zinc/40/56/29/506405629.db2.gz SGZIUMDSVQSGJI-LJQANCHMSA-N 1 1 362.376 3.300 20 5 FGBDMO C[N@H+](CCn1cc(Br)cn1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000588986476 506405753 /nfs/dbraw/zinc/40/57/53/506405753.db2.gz MRXSVUBGZBECOQ-UHFFFAOYSA-N 1 1 373.638 3.339 20 5 FGBDMO C[N@@H+](CCn1cc(Br)cn1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000588986476 506405759 /nfs/dbraw/zinc/40/57/59/506405759.db2.gz MRXSVUBGZBECOQ-UHFFFAOYSA-N 1 1 373.638 3.339 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000612077823 506423645 /nfs/dbraw/zinc/42/36/45/506423645.db2.gz PRGYCYMMVXHOBA-APWZRJJASA-N 1 1 374.462 3.125 20 5 FGBDMO O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000596471142 506424707 /nfs/dbraw/zinc/42/47/07/506424707.db2.gz WBPJMQBJOWGRFA-LBPRGKRZSA-N 1 1 350.394 3.262 20 5 FGBDMO C[NH+](C)Cc1cc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)ccn1 ZINC000603145841 506435936 /nfs/dbraw/zinc/43/59/36/506435936.db2.gz QHCIDZXFNXIJNV-UHFFFAOYSA-N 1 1 369.425 3.248 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000593182574 506447364 /nfs/dbraw/zinc/44/73/64/506447364.db2.gz UUXJYDYNSLJFPJ-SFHVURJKSA-N 1 1 368.437 3.294 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000593182574 506447366 /nfs/dbraw/zinc/44/73/66/506447366.db2.gz UUXJYDYNSLJFPJ-SFHVURJKSA-N 1 1 368.437 3.294 20 5 FGBDMO CC(C)C[N@@H+](C)CCCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000593202972 506461514 /nfs/dbraw/zinc/46/15/14/506461514.db2.gz AVRVGXFBRKEQEM-UHFFFAOYSA-N 1 1 372.263 3.065 20 5 FGBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(Cn3cncn3)cc2)c(Cl)c1 ZINC000589174505 506471449 /nfs/dbraw/zinc/47/14/49/506471449.db2.gz ZPCQSPHQALOCAB-UHFFFAOYSA-N 1 1 357.801 3.178 20 5 FGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000612174723 506472812 /nfs/dbraw/zinc/47/28/12/506472812.db2.gz NPZVUNWLOWSMKM-ACJLOTCBSA-N 1 1 373.384 3.214 20 5 FGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000612174723 506472813 /nfs/dbraw/zinc/47/28/13/506472813.db2.gz NPZVUNWLOWSMKM-ACJLOTCBSA-N 1 1 373.384 3.214 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599593298 506518593 /nfs/dbraw/zinc/51/85/93/506518593.db2.gz ASSASQSHXDPGLH-BBRMVZONSA-N 1 1 364.442 3.403 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599593298 506518600 /nfs/dbraw/zinc/51/86/00/506518600.db2.gz ASSASQSHXDPGLH-BBRMVZONSA-N 1 1 364.442 3.403 20 5 FGBDMO CCc1ccc([C@H]([NH2+]CCOC[C@H]2CCOC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000612409653 506568877 /nfs/dbraw/zinc/56/88/77/506568877.db2.gz LTMCBDZKAXKGEI-MGPUTAFESA-N 1 1 374.437 3.482 20 5 FGBDMO CCCO[C@H]1CCC[N@@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000589498034 506569838 /nfs/dbraw/zinc/56/98/38/506569838.db2.gz MQQXRWUCEIMKIE-INIZCTEOSA-N 1 1 350.415 3.163 20 5 FGBDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589513866 506575984 /nfs/dbraw/zinc/57/59/84/506575984.db2.gz NPQNAQWSPKRXKP-GOSISDBHSA-N 1 1 372.421 3.071 20 5 FGBDMO Cc1ccccc1[C@H]1CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000603842641 506631726 /nfs/dbraw/zinc/63/17/26/506631726.db2.gz GQUBLHRNGYBQQI-YLJYHZDGSA-N 1 1 356.422 3.480 20 5 FGBDMO CC(C)C[C@@H](CNc1ccc2ncccc2c1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000603845762 506631792 /nfs/dbraw/zinc/63/17/92/506631792.db2.gz LQCQRWVEHGIYNM-HNNXBMFYSA-N 1 1 358.442 3.302 20 5 FGBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1ccc2c(c1)OCCO2 ZINC000604012504 506685024 /nfs/dbraw/zinc/68/50/24/506685024.db2.gz IYNQWLIIDBJSHH-UHFFFAOYSA-N 1 1 358.394 3.267 20 5 FGBDMO C[C@H](NC(=O)NCCCC[N@H+]1CCC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000604130506 506724745 /nfs/dbraw/zinc/72/47/45/506724745.db2.gz NEPSHRBECDFQHP-HOTGVXAUSA-N 1 1 362.474 3.467 20 5 FGBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000604472233 506840929 /nfs/dbraw/zinc/84/09/29/506840929.db2.gz CLOKNWFPYSWZTQ-QGZVFWFLSA-N 1 1 353.422 3.237 20 5 FGBDMO O=C1CCCN1C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000597228803 506847609 /nfs/dbraw/zinc/84/76/09/506847609.db2.gz OTCGFXLVMFVAMB-OAHLLOKOSA-N 1 1 369.421 3.299 20 5 FGBDMO C[C@@H](O)[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1 ZINC000597248562 506860122 /nfs/dbraw/zinc/86/01/22/506860122.db2.gz BMDZMELGQFKJPT-BZNIZROVSA-N 1 1 352.337 3.408 20 5 FGBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000600230040 506861446 /nfs/dbraw/zinc/86/14/46/506861446.db2.gz PAEOMIDYIMCWGO-GBESFXJTSA-N 1 1 357.454 3.222 20 5 FGBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000600230039 506862496 /nfs/dbraw/zinc/86/24/96/506862496.db2.gz PAEOMIDYIMCWGO-CEXWTWQISA-N 1 1 357.454 3.222 20 5 FGBDMO COc1ccc([N+](=O)[O-])c(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000609495190 506899436 /nfs/dbraw/zinc/89/94/36/506899436.db2.gz NGKJLCNBJDSRLX-UHFFFAOYSA-N 1 1 359.401 3.455 20 5 FGBDMO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(c2ccccc2)C1=O ZINC000609673523 506969334 /nfs/dbraw/zinc/96/93/34/506969334.db2.gz FBFUVWLWFHUMTD-GOSISDBHSA-N 1 1 369.421 3.101 20 5 FGBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(c2ccccc2)C1=O ZINC000609673523 506969344 /nfs/dbraw/zinc/96/93/44/506969344.db2.gz FBFUVWLWFHUMTD-GOSISDBHSA-N 1 1 369.421 3.101 20 5 FGBDMO Cc1ccc(C[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C2CC2)o1 ZINC000609766465 506993475 /nfs/dbraw/zinc/99/34/75/506993475.db2.gz QYPRJJDAMHYOBX-UHFFFAOYSA-N 1 1 371.393 3.459 20 5 FGBDMO O=C([C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000594295839 507067966 /nfs/dbraw/zinc/06/79/66/507067966.db2.gz XAQMIILJCUBDJD-GOSISDBHSA-N 1 1 365.433 3.396 20 5 FGBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000610060999 507085217 /nfs/dbraw/zinc/08/52/17/507085217.db2.gz OFAKTSQWTLYAQY-IYBDPMFKSA-N 1 1 361.486 3.357 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000597854601 507135573 /nfs/dbraw/zinc/13/55/73/507135573.db2.gz JLHWQKDRNBAVER-OAHLLOKOSA-N 1 1 374.485 3.045 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000597859953 507137745 /nfs/dbraw/zinc/13/77/45/507137745.db2.gz IWSYEJZLRPDAIV-LLVKDONJSA-N 1 1 359.348 3.216 20 5 FGBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000610239083 507153224 /nfs/dbraw/zinc/15/32/24/507153224.db2.gz RIACYIQCZJTKOX-UHFFFAOYSA-N 1 1 359.470 3.252 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCSC3(CCC3)CC2)c1 ZINC000591263256 507173777 /nfs/dbraw/zinc/17/37/77/507173777.db2.gz NJPPAWYDTJCNNS-UHFFFAOYSA-N 1 1 350.440 3.243 20 5 FGBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597922472 507175943 /nfs/dbraw/zinc/17/59/43/507175943.db2.gz DEGYSXRLJZOJMP-WCQYABFASA-N 1 1 369.849 3.005 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000597922635 507176307 /nfs/dbraw/zinc/17/63/07/507176307.db2.gz JSDPNIJKDDZKGY-CYBMUJFWSA-N 1 1 369.849 3.006 20 5 FGBDMO COc1ccc(CS(=O)(=O)Cc2c(C)cc(C)[nH+]c2C)cc1[N+](=O)[O-] ZINC000600940347 507200569 /nfs/dbraw/zinc/20/05/69/507200569.db2.gz IFEJWHRCRSBFDP-UHFFFAOYSA-N 1 1 364.423 3.039 20 5 FGBDMO Cc1cnc(OC2CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)nc1 ZINC000594612455 507210919 /nfs/dbraw/zinc/21/09/19/507210919.db2.gz LDIUMUJBEXZEHW-XQRVVYSFSA-N 1 1 354.410 3.250 20 5 FGBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601011563 507226808 /nfs/dbraw/zinc/22/68/08/507226808.db2.gz VRDLCHQJRKHXMS-HIFRSBDPSA-N 1 1 357.385 3.299 20 5 FGBDMO CCCC(=O)NC[C@H]1CCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601111579 507264566 /nfs/dbraw/zinc/26/45/66/507264566.db2.gz SHTOUDKTRWPUJG-CQSZACIVSA-N 1 1 356.426 3.276 20 5 FGBDMO CC1(C)C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000610505209 507268677 /nfs/dbraw/zinc/26/86/77/507268677.db2.gz CHQRSXSMBHGFQM-MJGOQNOKSA-N 1 1 356.422 3.418 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[C@H]([C@@H](O)C(F)(F)F)C3)c2c1 ZINC000601154496 507280867 /nfs/dbraw/zinc/28/08/67/507280867.db2.gz MIELGXACXVYDAP-ZUZCIYMTSA-N 1 1 355.316 3.283 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[C@@](O)(C(F)(F)F)CC3)c2c1 ZINC000601164887 507284838 /nfs/dbraw/zinc/28/48/38/507284838.db2.gz HUMYTRCEYUZEQO-HNNXBMFYSA-N 1 1 355.316 3.427 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601170851 507286152 /nfs/dbraw/zinc/28/61/52/507286152.db2.gz DTDJNKHOTROSHE-HUUCEWRRSA-N 1 1 363.433 3.461 20 5 FGBDMO Cc1c(C(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000598194026 507306233 /nfs/dbraw/zinc/30/62/33/507306233.db2.gz DJURAOBMNBPWFR-SFHVURJKSA-N 1 1 367.449 3.292 20 5 FGBDMO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000610676600 507342829 /nfs/dbraw/zinc/34/28/29/507342829.db2.gz BPCWHRZIWAXECP-INIZCTEOSA-N 1 1 368.437 3.264 20 5 FGBDMO CC[C@H]1CN(C)c2ccccc2C[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000610676600 507342838 /nfs/dbraw/zinc/34/28/38/507342838.db2.gz BPCWHRZIWAXECP-INIZCTEOSA-N 1 1 368.437 3.264 20 5 FGBDMO COc1ccc([C@H](CCO)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000595021651 507357643 /nfs/dbraw/zinc/35/76/43/507357643.db2.gz QVODEBLDCIXBRB-ACJLOTCBSA-N 1 1 360.410 3.386 20 5 FGBDMO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000610803534 507395475 /nfs/dbraw/zinc/39/54/75/507395475.db2.gz BTUWWBHOHYJWJR-APWZRJJASA-N 1 1 368.437 3.050 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCOCC2(CCCC2)C1 ZINC000614222794 507412689 /nfs/dbraw/zinc/41/26/89/507412689.db2.gz 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CCc1cc(N2CC[N@H+](CC)[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611084811 507509640 /nfs/dbraw/zinc/50/96/40/507509640.db2.gz WMEQLEOETMNSSN-CQSZACIVSA-N 1 1 355.442 3.145 20 5 FGBDMO CC(C)[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H](O)COc1ccccc1 ZINC000595468378 507513147 /nfs/dbraw/zinc/51/31/47/507513147.db2.gz ZDNZLWVWIJSMBT-QGZVFWFLSA-N 1 1 362.401 3.384 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC3(C[C@H]2C)CCOCC3)cccc1[N+](=O)[O-] ZINC000592184011 507528199 /nfs/dbraw/zinc/52/81/99/507528199.db2.gz NOZOMEBJVGJEOI-UKRRQHHQSA-N 1 1 361.442 3.121 20 5 FGBDMO C[N@H+]1CC[C@]2(C1)CCCN(Cc1ccc(Br)cc1[N+](=O)[O-])C2 ZINC000595505010 507535080 /nfs/dbraw/zinc/53/50/80/507535080.db2.gz OYXIASMIBJWJTG-INIZCTEOSA-N 1 1 368.275 3.275 20 5 FGBDMO C[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)C1CC1 ZINC000611202191 507560149 /nfs/dbraw/zinc/56/01/49/507560149.db2.gz MTEXLZCJBHPFRL-UHFFFAOYSA-N 1 1 363.483 3.454 20 5 FGBDMO CC(C)c1[nH+]ccn1CC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000602107472 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350.419 3.084 20 5 FGBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000811866237 725383499 /nfs/dbraw/zinc/38/34/99/725383499.db2.gz GAPAKNCJNYCZST-CYBMUJFWSA-N 1 1 350.419 3.084 20 5 FGBDMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813448054 726877925 /nfs/dbraw/zinc/87/79/25/726877925.db2.gz PNQDWARBEFPVOS-NSHDSACASA-N 1 1 358.225 3.116 20 5 FGBDMO C[N@H+]1CCC[C@@]2(CCN(c3ccc([N+](=O)[O-])cc3Br)C2)C1 ZINC000814909153 727010443 /nfs/dbraw/zinc/01/04/43/727010443.db2.gz IMRQWGXBZPJXHR-OAHLLOKOSA-N 1 1 354.248 3.279 20 5 FGBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000824659192 729353506 /nfs/dbraw/zinc/35/35/06/729353506.db2.gz ZYQHZCPPUWERSM-LBPRGKRZSA-N 1 1 351.472 3.167 20 5 FGBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000827152331 729425943 /nfs/dbraw/zinc/42/59/43/729425943.db2.gz RSQZYYVQABBYBL-OAHLLOKOSA-N 1 1 355.232 3.094 20 5 FGBDMO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000827152331 729425944 /nfs/dbraw/zinc/42/59/44/729425944.db2.gz RSQZYYVQABBYBL-OAHLLOKOSA-N 1 1 355.232 3.094 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000827452118 729430407 /nfs/dbraw/zinc/43/04/07/729430407.db2.gz OYERPZCKHDOUCZ-DOTOQJQBSA-N 1 1 359.813 3.423 20 5 FGBDMO C[N@@H+]1CC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000827491761 729430913 /nfs/dbraw/zinc/43/09/13/729430913.db2.gz PZLVSBVSXQJKMX-GOEBONIOSA-N 1 1 353.850 3.037 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000827491761 729430914 /nfs/dbraw/zinc/43/09/14/729430914.db2.gz PZLVSBVSXQJKMX-GOEBONIOSA-N 1 1 353.850 3.037 20 5 FGBDMO C[N@H+]1CCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CCC1(C)C ZINC000828300565 729442102 /nfs/dbraw/zinc/44/21/02/729442102.db2.gz YKCFJPFGTYFBQD-UHFFFAOYSA-N 1 1 353.850 3.124 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](Cc4ccsc4)CC3)nc2c1 ZINC000851935016 731521456 /nfs/dbraw/zinc/52/14/56/731521456.db2.gz KETWRFUYCMJBOG-UHFFFAOYSA-N 1 1 357.439 3.245 20 5 FGBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC[N@H+](C2CCC2)C1 ZINC000854603259 731845166 /nfs/dbraw/zinc/84/51/66/731845166.db2.gz RKECLSHNGAPIKJ-LBPRGKRZSA-N 1 1 351.834 3.195 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1Cl ZINC000856476048 732031787 /nfs/dbraw/zinc/03/17/87/732031787.db2.gz LIVFRBAZFALFGZ-AWEZNQCLSA-N 1 1 365.861 3.408 20 5 FGBDMO Cn1cc[nH+]c1[C@H]1CCN(c2cccc(Br)c2[N+](=O)[O-])C1 ZINC000856737664 732050447 /nfs/dbraw/zinc/05/04/47/732050447.db2.gz KYXNOTFMTBXILZ-JTQLQIEISA-N 1 1 351.204 3.085 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC3(CCOCC3)CC[C@@H]2CO)ccc1Cl ZINC000859522231 732343391 /nfs/dbraw/zinc/34/33/91/732343391.db2.gz GYADXDQSJUGHDZ-CQSZACIVSA-N 1 1 354.834 3.002 20 5 FGBDMO C[C@H]([NH2+][C@@H](C)c1ccns1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000860055479 732442559 /nfs/dbraw/zinc/44/25/59/732442559.db2.gz ZNXFQLTUDCTJDB-IUCAKERBSA-N 1 1 354.819 3.383 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000874831835 735936768 /nfs/dbraw/zinc/93/67/68/735936768.db2.gz BBOIVNIHHNJZFN-HZPDHXFCSA-N 1 1 363.483 3.406 20 5 FGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000876678555 736130382 /nfs/dbraw/zinc/13/03/82/736130382.db2.gz NXXRHMMEMGDULB-GFCCVEGCSA-N 1 1 360.332 3.199 20 5 FGBDMO C[N@H+]1CC[C@@H]2CN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC[C@H]21 ZINC000877744289 736713179 /nfs/dbraw/zinc/71/31/79/736713179.db2.gz RDACVFNAIQUMRC-RHSMWYFYSA-N 1 1 358.467 3.244 20 5 FGBDMO CS[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878665793 736905747 /nfs/dbraw/zinc/90/57/47/736905747.db2.gz MQIQXHWOJSAMTL-SNVBAGLBSA-N 1 1 354.819 3.236 20 5 FGBDMO CS[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878665793 736905750 /nfs/dbraw/zinc/90/57/50/736905750.db2.gz MQIQXHWOJSAMTL-SNVBAGLBSA-N 1 1 354.819 3.236 20 5 FGBDMO O=[N+]([O-])c1ncccc1C[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000886193824 739227612 /nfs/dbraw/zinc/22/76/12/739227612.db2.gz CSKVLZYURXVRNQ-AWEZNQCLSA-N 1 1 363.215 3.388 20 5 FGBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000888278367 739495360 /nfs/dbraw/zinc/49/53/60/739495360.db2.gz RGVYUUXRLNMTJJ-RISCZKNCSA-N 1 1 352.822 3.115 20 5 FGBDMO CC(C)OCCN1CCC([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000893101146 742110126 /nfs/dbraw/zinc/11/01/26/742110126.db2.gz IWGNMWLJHMAFSY-UHFFFAOYSA-N 1 1 355.866 3.227 20 5 FGBDMO CS(=O)(=O)Cc1ccc(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000893327715 742141022 /nfs/dbraw/zinc/14/10/22/742141022.db2.gz DYVZVYBOWNWAJQ-UHFFFAOYSA-N 1 1 368.842 3.083 20 5 FGBDMO O=[N+]([O-])c1sc(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)cc1Br ZINC000895847017 742461856 /nfs/dbraw/zinc/46/18/56/742461856.db2.gz XZAASROPICDACM-SKDRFNHKSA-N 1 1 361.261 3.420 20 5 FGBDMO O=[N+]([O-])c1sc(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)cc1Br ZINC000895847017 742461861 /nfs/dbraw/zinc/46/18/61/742461861.db2.gz XZAASROPICDACM-SKDRFNHKSA-N 1 1 361.261 3.420 20 5 FGBDMO Cn1cc(C[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])c(C2CC2)n1 ZINC000896008035 742481057 /nfs/dbraw/zinc/48/10/57/742481057.db2.gz ZJWUFRWZSROEEP-UHFFFAOYSA-N 1 1 365.231 3.258 20 5 FGBDMO C[NH+](C)[C@H](CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)c1ccco1 ZINC000899956974 743030833 /nfs/dbraw/zinc/03/08/33/743030833.db2.gz GJCUZEBYPIBRRS-GFCCVEGCSA-N 1 1 355.753 3.013 20 5 FGBDMO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NCc1c[nH+]c2n1CCCC2 ZINC000908085519 744259798 /nfs/dbraw/zinc/25/97/98/744259798.db2.gz UANCPOZXVVXAIY-UHFFFAOYSA-N 1 1 362.817 3.030 20 5 FGBDMO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CNCCC1(F)F ZINC000925782624 759537406 /nfs/dbraw/zinc/53/74/06/759537406.db2.gz MGZRCUKAMGIXGI-STQMWFEESA-N 1 1 359.442 3.300 20 5 FGBDMO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC[C@@H]1C[NH2+]CCC1(F)F ZINC000925782624 759537417 /nfs/dbraw/zinc/53/74/17/759537417.db2.gz MGZRCUKAMGIXGI-STQMWFEESA-N 1 1 359.442 3.300 20 5 FGBDMO COC(=O)c1cnc([C@@H]2CC[N@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)s1 ZINC000932669684 761213979 /nfs/dbraw/zinc/21/39/79/761213979.db2.gz PTTYPELSJRRDOD-VXGBXAGGSA-N 1 1 361.423 3.388 20 5 FGBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000933621490 761441191 /nfs/dbraw/zinc/44/11/91/761441191.db2.gz IRAOXXSUTHUTRP-CYBMUJFWSA-N 1 1 351.472 3.263 20 5 FGBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000933780274 761473170 /nfs/dbraw/zinc/47/31/70/761473170.db2.gz WOEOVLPZRNBRFE-AWEZNQCLSA-N 1 1 367.877 3.371 20 5 FGBDMO O=C(N[C@H]1CC[C@H]([NH2+]CCC2CCCCCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001034645816 766243610 /nfs/dbraw/zinc/24/36/10/766243610.db2.gz WQOUBVMIRYPSFG-BRSBDYLESA-N 1 1 351.491 3.029 20 5 FGBDMO Cc1cccc([C@@H]2CCCCC[N@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000075748548 493775724 /nfs/dbraw/zinc/77/57/24/493775724.db2.gz QMRFGSGJQAKTAC-OALUTQOASA-N 1 1 358.442 3.078 20 5 FGBDMO C[C@H](CNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000057719873 493790252 /nfs/dbraw/zinc/79/02/52/493790252.db2.gz KPLYNBDTZRWUCN-OAHLLOKOSA-N 1 1 374.485 3.044 20 5 FGBDMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3C)C2)nc1 ZINC000080925997 493791584 /nfs/dbraw/zinc/79/15/84/493791584.db2.gz WFBSRFAFEYZEDQ-KRWDZBQOSA-N 1 1 368.437 3.457 20 5 FGBDMO CC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])Cc1ccc2c(c1)OCO2 ZINC000058372846 493848039 /nfs/dbraw/zinc/84/80/39/493848039.db2.gz VAGZVUJXRBKUEN-UHFFFAOYSA-N 1 1 371.393 3.093 20 5 FGBDMO CC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])Cc1ccc2c(c1)OCO2 ZINC000058372846 493848042 /nfs/dbraw/zinc/84/80/42/493848042.db2.gz VAGZVUJXRBKUEN-UHFFFAOYSA-N 1 1 371.393 3.093 20 5 FGBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000081363949 493880598 /nfs/dbraw/zinc/88/05/98/493880598.db2.gz CGSYNWNYTBWHHQ-CABCVRRESA-N 1 1 365.499 3.266 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000076389146 493882057 /nfs/dbraw/zinc/88/20/57/493882057.db2.gz KVWMGBFXUPSTDQ-KRWDZBQOSA-N 1 1 367.449 3.260 20 5 FGBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000076394400 493883087 /nfs/dbraw/zinc/88/30/87/493883087.db2.gz JDIGPYCYKJKKJJ-CYBMUJFWSA-N 1 1 355.373 3.156 20 5 FGBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000076394400 493883091 /nfs/dbraw/zinc/88/30/91/493883091.db2.gz JDIGPYCYKJKKJJ-CYBMUJFWSA-N 1 1 355.373 3.156 20 5 FGBDMO Cc1c(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)cccc1[N+](=O)[O-] ZINC000076394519 493883452 /nfs/dbraw/zinc/88/34/52/493883452.db2.gz PZPZLTGGDWSMKJ-INIZCTEOSA-N 1 1 351.410 3.326 20 5 FGBDMO Cc1ccc(C[C@@H]2CCC[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)cc1 ZINC000051063926 493947626 /nfs/dbraw/zinc/94/76/26/493947626.db2.gz OOEGRWQPXQPQNJ-KRWDZBQOSA-N 1 1 367.449 3.457 20 5 FGBDMO CN(C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000076711280 493955939 /nfs/dbraw/zinc/95/59/39/493955939.db2.gz YLMCEBHZEDPYGT-KRWDZBQOSA-N 1 1 353.422 3.470 20 5 FGBDMO COc1ccc(C[N@@H+](C)Cc2ccccc2N2CCOCC2)cc1[N+](=O)[O-] ZINC000051500874 493973659 /nfs/dbraw/zinc/97/36/59/493973659.db2.gz VJIFXKDZCDTDID-UHFFFAOYSA-N 1 1 371.437 3.072 20 5 FGBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)NCc2ccccc2[N+](=O)[O-])c1 ZINC000061860009 493995747 /nfs/dbraw/zinc/99/57/47/493995747.db2.gz UFFPLYFNTWVQPE-UHFFFAOYSA-N 1 1 356.426 3.046 20 5 FGBDMO Cc1[nH+]ccn1-c1ccc(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cn1 ZINC000052510334 494033698 /nfs/dbraw/zinc/03/36/98/494033698.db2.gz HOINTPUMEOIRNM-UHFFFAOYSA-N 1 1 354.326 3.004 20 5 FGBDMO O=C(NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1)c1ccccc1F ZINC000052724034 494057092 /nfs/dbraw/zinc/05/70/92/494057092.db2.gz AWTBWKJNVJABJL-UHFFFAOYSA-N 1 1 357.385 3.128 20 5 FGBDMO O=C(C[N@@H+]1CCC[C@@H]1c1ccsc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000052804003 494063127 /nfs/dbraw/zinc/06/31/27/494063127.db2.gz OMEJHFPBHJFAEO-MRXNPFEDSA-N 1 1 357.435 3.383 20 5 FGBDMO O=C(C[N@H+]1CCC[C@@H]1c1ccsc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000052804003 494063131 /nfs/dbraw/zinc/06/31/31/494063131.db2.gz OMEJHFPBHJFAEO-MRXNPFEDSA-N 1 1 357.435 3.383 20 5 FGBDMO CCc1nc(C[N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cs1 ZINC000063603935 494069309 /nfs/dbraw/zinc/06/93/09/494069309.db2.gz GIPAKKWBAXBVHX-UHFFFAOYSA-N 1 1 362.455 3.383 20 5 FGBDMO CCc1nc(C[N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cs1 ZINC000063603935 494069313 /nfs/dbraw/zinc/06/93/13/494069313.db2.gz GIPAKKWBAXBVHX-UHFFFAOYSA-N 1 1 362.455 3.383 20 5 FGBDMO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)c1 ZINC000053545895 494145874 /nfs/dbraw/zinc/14/58/74/494145874.db2.gz ZYCBFMPZORNUKR-UHFFFAOYSA-N 1 1 369.406 3.458 20 5 FGBDMO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000042061526 494198069 /nfs/dbraw/zinc/19/80/69/494198069.db2.gz QZHVZKLUDYCYPT-MRXNPFEDSA-N 1 1 362.817 3.143 20 5 FGBDMO 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/nfs/dbraw/zinc/29/00/44/495290044.db2.gz RJMDYEFJTBXODF-KRWDZBQOSA-N 1 1 372.425 3.165 20 5 FGBDMO COc1ccccc1CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000104711031 495298959 /nfs/dbraw/zinc/29/89/59/495298959.db2.gz DKGFBHAHZJLEDF-AWEZNQCLSA-N 1 1 357.410 3.105 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](Cc1cccnc1)C1CC1 ZINC000124759966 495339370 /nfs/dbraw/zinc/33/93/70/495339370.db2.gz WEARKEFZYIBUEB-UHFFFAOYSA-N 1 1 354.410 3.291 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1ccncc1)C1CC1 ZINC000124833406 495350873 /nfs/dbraw/zinc/35/08/73/495350873.db2.gz HHXVQNVVGABUIM-UHFFFAOYSA-N 1 1 354.410 3.291 20 5 FGBDMO C[C@@H]1C[N@H+](CCCNc2ccc(Br)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000105541755 495371534 /nfs/dbraw/zinc/37/15/34/495371534.db2.gz CBUHSYMJMGUWQY-TXEJJXNPSA-N 1 1 372.263 3.269 20 5 FGBDMO O=C(C[N@@H+]1CCC[C@]2(CC=CCC2)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000114494808 495384298 /nfs/dbraw/zinc/38/42/98/495384298.db2.gz IJNMTUSYPHRDDA-LJQANCHMSA-N 1 1 373.409 3.084 20 5 FGBDMO O=C(C[N@H+]1CCC[C@]2(CC=CCC2)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000114494808 495384299 /nfs/dbraw/zinc/38/42/99/495384299.db2.gz IJNMTUSYPHRDDA-LJQANCHMSA-N 1 1 373.409 3.084 20 5 FGBDMO C[N@@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)[C@@H]1c1ccc(Cl)cc1 ZINC000130460559 495395228 /nfs/dbraw/zinc/39/52/28/495395228.db2.gz NPGBMPQWVOIPOD-PBHICJAKSA-N 1 1 374.828 3.006 20 5 FGBDMO C[N@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)[C@@H]1c1ccc(Cl)cc1 ZINC000130460559 495395230 /nfs/dbraw/zinc/39/52/30/495395230.db2.gz NPGBMPQWVOIPOD-PBHICJAKSA-N 1 1 374.828 3.006 20 5 FGBDMO O=C(CCNC[C@H]1CCC[N@H+]1C1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000571636394 505779487 /nfs/dbraw/zinc/77/94/87/505779487.db2.gz HLVGXJICNPFBFF-QGZVFWFLSA-N 1 1 374.485 3.310 20 5 FGBDMO O=C(CC[NH2+]C[C@H]1CCCN1C1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000571636394 505779493 /nfs/dbraw/zinc/77/94/93/505779493.db2.gz HLVGXJICNPFBFF-QGZVFWFLSA-N 1 1 374.485 3.310 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)CCC1CCOCC1 ZINC000120698957 495438055 /nfs/dbraw/zinc/43/80/55/495438055.db2.gz XGHYHVHDUBQJNE-CYBMUJFWSA-N 1 1 360.414 3.454 20 5 FGBDMO Cc1sc(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000137429597 495441045 /nfs/dbraw/zinc/44/10/45/495441045.db2.gz VEEODOLGYQYWQT-WFASDCNBSA-N 1 1 359.451 3.358 20 5 FGBDMO C[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 ZINC000137571692 495445624 /nfs/dbraw/zinc/44/56/24/495445624.db2.gz AEBDCPDQJQTNDI-ZDUSSCGKSA-N 1 1 363.483 3.311 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@H]2c2ccncc2)cccc1[N+](=O)[O-] ZINC000125470657 495449261 /nfs/dbraw/zinc/44/92/61/495449261.db2.gz NJOGMOAYWKXICJ-SFHVURJKSA-N 1 1 354.410 3.464 20 5 FGBDMO Cc1nccn1CCC[N@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000130860003 495457082 /nfs/dbraw/zinc/45/70/82/495457082.db2.gz WZPSQGLPLSRBDQ-ZDUSSCGKSA-N 1 1 370.413 3.233 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000131067322 495487602 /nfs/dbraw/zinc/48/76/02/495487602.db2.gz PSCSAZAQYQQLRY-HNNXBMFYSA-N 1 1 370.434 3.203 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000131067322 495487606 /nfs/dbraw/zinc/48/76/06/495487606.db2.gz PSCSAZAQYQQLRY-HNNXBMFYSA-N 1 1 370.434 3.203 20 5 FGBDMO CCO[C@@H]1C[C@H]([N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C12CCC2 ZINC000121048476 495511792 /nfs/dbraw/zinc/51/17/92/495511792.db2.gz JLKSKUOMLLCJRF-JKSUJKDBSA-N 1 1 372.425 3.424 20 5 FGBDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C12CCC2 ZINC000121048476 495511797 /nfs/dbraw/zinc/51/17/97/495511797.db2.gz JLKSKUOMLLCJRF-JKSUJKDBSA-N 1 1 372.425 3.424 20 5 FGBDMO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000115555265 495516975 /nfs/dbraw/zinc/51/69/75/495516975.db2.gz UJMZVKVUDWMQAV-RDJZCZTQSA-N 1 1 353.422 3.436 20 5 FGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)n1 ZINC000176244270 495561619 /nfs/dbraw/zinc/56/16/19/495561619.db2.gz NPHSPAIOLBMWLX-MRXNPFEDSA-N 1 1 366.425 3.061 20 5 FGBDMO C[C@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000173516438 495568928 /nfs/dbraw/zinc/56/89/28/495568928.db2.gz ZBZJXPODLIYVMX-INIZCTEOSA-N 1 1 353.422 3.331 20 5 FGBDMO CCOc1ccc([C@@H](C)NC[C@H]2C[N@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000179393658 495574063 /nfs/dbraw/zinc/57/40/63/495574063.db2.gz QNVPZXAHKUIUKH-WBVHZDCISA-N 1 1 365.474 3.001 20 5 FGBDMO CCOc1ccc([C@@H](C)NC[C@H]2C[N@@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000179393658 495574070 /nfs/dbraw/zinc/57/40/70/495574070.db2.gz QNVPZXAHKUIUKH-WBVHZDCISA-N 1 1 365.474 3.001 20 5 FGBDMO O=C1CC[C@@H]2C[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)CC[C@H]2N1C1CC1 ZINC000179442649 495592558 /nfs/dbraw/zinc/59/25/58/495592558.db2.gz VWGBSGUDJORALN-SJKOYZFVSA-N 1 1 363.845 3.224 20 5 FGBDMO O=C1CC[C@@H]2C[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)CC[C@H]2N1C1CC1 ZINC000179442649 495592564 /nfs/dbraw/zinc/59/25/64/495592564.db2.gz VWGBSGUDJORALN-SJKOYZFVSA-N 1 1 363.845 3.224 20 5 FGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@H](COCc3ccccc3)C2)c1 ZINC000154374508 495597975 /nfs/dbraw/zinc/59/79/75/495597975.db2.gz CJLQSJUNTXDTAJ-PXNSSMCTSA-N 1 1 356.422 3.167 20 5 FGBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000173709922 495657445 /nfs/dbraw/zinc/65/74/45/495657445.db2.gz BFNODPCGVHUVLN-KRWDZBQOSA-N 1 1 368.437 3.035 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000182721124 495676068 /nfs/dbraw/zinc/67/60/68/495676068.db2.gz NCIDZMTUIYZJNF-OTWHNJEPSA-N 1 1 374.529 3.455 20 5 FGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCOCc1ccccc1 ZINC000154672393 495690475 /nfs/dbraw/zinc/69/04/75/495690475.db2.gz ZMGSQGMBXBBSSY-OAHLLOKOSA-N 1 1 357.410 3.070 20 5 FGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CCOCc1ccccc1 ZINC000154672393 495690485 /nfs/dbraw/zinc/69/04/85/495690485.db2.gz ZMGSQGMBXBBSSY-OAHLLOKOSA-N 1 1 357.410 3.070 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000182769358 495696546 /nfs/dbraw/zinc/69/65/46/495696546.db2.gz GITIRCITMMMAPZ-MJGOQNOKSA-N 1 1 360.502 3.066 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000182769378 495696796 /nfs/dbraw/zinc/69/67/96/495696796.db2.gz GITIRCITMMMAPZ-HKUYNNGSSA-N 1 1 360.502 3.066 20 5 FGBDMO C[C@@H]1C[C@H](N(C)C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000182843324 495724728 /nfs/dbraw/zinc/72/47/28/495724728.db2.gz BUYNFCVLBOWCGA-DGCLKSJQSA-N 1 1 371.890 3.281 20 5 FGBDMO CCS[C@H]1CC[C@H]([N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000173866683 495725464 /nfs/dbraw/zinc/72/54/64/495725464.db2.gz XIXFOPMUZCRVHM-HOTGVXAUSA-N 1 1 351.472 3.164 20 5 FGBDMO C[C@@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182857993 495731365 /nfs/dbraw/zinc/73/13/65/495731365.db2.gz OSPQYIXYJBCGOO-CVEARBPZSA-N 1 1 374.485 3.389 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000179981650 495810145 /nfs/dbraw/zinc/81/01/45/495810145.db2.gz ZSGJJVSQVLRMBN-GFCCVEGCSA-N 1 1 371.384 3.191 20 5 FGBDMO COCCOC[C@H]1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000180010489 495821481 /nfs/dbraw/zinc/82/14/81/495821481.db2.gz IXTBVJAGMQMSFC-HNNXBMFYSA-N 1 1 360.410 3.340 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000155074707 495825889 /nfs/dbraw/zinc/82/58/89/495825889.db2.gz USWJTQUTNFCYOK-KRWDZBQOSA-N 1 1 368.437 3.418 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000155074707 495825892 /nfs/dbraw/zinc/82/58/92/495825892.db2.gz USWJTQUTNFCYOK-KRWDZBQOSA-N 1 1 368.437 3.418 20 5 FGBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000171412729 495864545 /nfs/dbraw/zinc/86/45/45/495864545.db2.gz BODZQEJAKKBEHE-QGZVFWFLSA-N 1 1 374.441 3.411 20 5 FGBDMO Cc1c(NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)cccc1[N+](=O)[O-] ZINC000151548614 495874860 /nfs/dbraw/zinc/87/48/60/495874860.db2.gz WRQSFSZQAHXUIP-KRWDZBQOSA-N 1 1 369.421 3.133 20 5 FGBDMO Cc1c(NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cccc1[N+](=O)[O-] ZINC000151548614 495874864 /nfs/dbraw/zinc/87/48/64/495874864.db2.gz WRQSFSZQAHXUIP-KRWDZBQOSA-N 1 1 369.421 3.133 20 5 FGBDMO CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000180175201 495891950 /nfs/dbraw/zinc/89/19/50/495891950.db2.gz DERSJKGXSNQMMV-QFBILLFUSA-N 1 1 369.421 3.169 20 5 FGBDMO COc1ccc([C@@H]2CC[N@H+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)cc1 ZINC000155298971 495909749 /nfs/dbraw/zinc/90/97/49/495909749.db2.gz BEDNKPVHKLNBHR-MRXNPFEDSA-N 1 1 369.421 3.340 20 5 FGBDMO COc1ccc([C@@H]2CC[N@@H+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)cc1 ZINC000155298971 495909752 /nfs/dbraw/zinc/90/97/52/495909752.db2.gz BEDNKPVHKLNBHR-MRXNPFEDSA-N 1 1 369.421 3.340 20 5 FGBDMO C[C@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)c1cccc([N+](=O)[O-])c1 ZINC000180408841 495984476 /nfs/dbraw/zinc/98/44/76/495984476.db2.gz VVLGNUVDIRCOLF-NSHDSACASA-N 1 1 358.785 3.107 20 5 FGBDMO CC(=O)NC[C@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000155661547 496027571 /nfs/dbraw/zinc/02/75/71/496027571.db2.gz YGOAPFUALHWKNV-CQSZACIVSA-N 1 1 374.466 3.066 20 5 FGBDMO CC(=O)NC[C@H]1CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000155661547 496027576 /nfs/dbraw/zinc/02/75/76/496027576.db2.gz YGOAPFUALHWKNV-CQSZACIVSA-N 1 1 374.466 3.066 20 5 FGBDMO CN(C)C1(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000180543555 496037800 /nfs/dbraw/zinc/03/78/00/496037800.db2.gz FKOJIMSWMXUFRM-FQEVSTJZSA-N 1 1 369.465 3.385 20 5 FGBDMO C[NH+](C)[C@@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])c1ccccc1Cl ZINC000183614727 496048748 /nfs/dbraw/zinc/04/87/48/496048748.db2.gz UPLNTMORCUOZLR-AWEZNQCLSA-N 1 1 363.805 3.068 20 5 FGBDMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1csc(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000174664928 496051206 /nfs/dbraw/zinc/05/12/06/496051206.db2.gz QDLPWKYJCKUOEY-DZGCQCFKSA-N 1 1 372.450 3.027 20 5 FGBDMO C[C@]12CCC[N@@H+]1C[C@@H](c1noc(/C=C/c3ccc(F)cc3[N+](=O)[O-])n1)OC2 ZINC000568971298 505822023 /nfs/dbraw/zinc/82/20/23/505822023.db2.gz WMORNJVIBPMYPT-IWAYODKASA-N 1 1 374.372 3.213 20 5 FGBDMO C[C@]12CCC[N@H+]1C[C@@H](c1noc(/C=C/c3ccc(F)cc3[N+](=O)[O-])n1)OC2 ZINC000568971298 505822028 /nfs/dbraw/zinc/82/20/28/505822028.db2.gz WMORNJVIBPMYPT-IWAYODKASA-N 1 1 374.372 3.213 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000177531189 496099685 /nfs/dbraw/zinc/09/96/85/496099685.db2.gz GHENQSIRDPZVEM-YOEHRIQHSA-N 1 1 369.421 3.420 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000177531189 496099692 /nfs/dbraw/zinc/09/96/92/496099692.db2.gz GHENQSIRDPZVEM-YOEHRIQHSA-N 1 1 369.421 3.420 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000161307768 496149313 /nfs/dbraw/zinc/14/93/13/496149313.db2.gz CGTVCAPUSHAPEW-CZUORRHYSA-N 1 1 363.483 3.263 20 5 FGBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC(C)(C)O)c([N+](=O)[O-])c1 ZINC000177727752 496174804 /nfs/dbraw/zinc/17/48/04/496174804.db2.gz GFVXYUJWDVXVJB-GOSISDBHSA-N 1 1 371.437 3.286 20 5 FGBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC(C)(C)O)c([N+](=O)[O-])c1 ZINC000177727752 496174810 /nfs/dbraw/zinc/17/48/10/496174810.db2.gz GFVXYUJWDVXVJB-GOSISDBHSA-N 1 1 371.437 3.286 20 5 FGBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CC[C@@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000177993294 496279241 /nfs/dbraw/zinc/27/92/41/496279241.db2.gz WXEPVLRGSJIOLU-UYAOXDASSA-N 1 1 369.421 3.040 20 5 FGBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CC[C@@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000177993294 496279247 /nfs/dbraw/zinc/27/92/47/496279247.db2.gz WXEPVLRGSJIOLU-UYAOXDASSA-N 1 1 369.421 3.040 20 5 FGBDMO C[C@H]1C[C@@H](N(C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@H+]1C ZINC000175306413 496331876 /nfs/dbraw/zinc/33/18/76/496331876.db2.gz NZGMJJQSDBGPJJ-QWRGUYRKSA-N 1 1 372.372 3.143 20 5 FGBDMO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@H+]1C ZINC000175306394 496332128 /nfs/dbraw/zinc/33/21/28/496332128.db2.gz NZGMJJQSDBGPJJ-MNOVXSKESA-N 1 1 372.372 3.143 20 5 FGBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000181318463 496351468 /nfs/dbraw/zinc/35/14/68/496351468.db2.gz NNAFTDDWGYILNM-CVEARBPZSA-N 1 1 370.453 3.476 20 5 FGBDMO O=[N+]([O-])c1cccc(C[N@H+](C[C@@H](O)COCc2ccccc2F)C2CC2)c1 ZINC000153286411 496409446 /nfs/dbraw/zinc/40/94/46/496409446.db2.gz KOMMJAIJKQKYSN-LJQANCHMSA-N 1 1 374.412 3.276 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000187379965 496418501 /nfs/dbraw/zinc/41/85/01/496418501.db2.gz ONSMYYIWTZJNNS-OAHLLOKOSA-N 1 1 374.485 3.294 20 5 FGBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@@H](O)COc1ccccc1Cl)C2 ZINC000153357449 496429750 /nfs/dbraw/zinc/42/97/50/496429750.db2.gz PJCQWZVMOZDLCJ-CQSZACIVSA-N 1 1 362.813 3.046 20 5 FGBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@@H](O)COc1ccccc1Cl)C2 ZINC000153357449 496429753 /nfs/dbraw/zinc/42/97/53/496429753.db2.gz PJCQWZVMOZDLCJ-CQSZACIVSA-N 1 1 362.813 3.046 20 5 FGBDMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000153540853 496490740 /nfs/dbraw/zinc/49/07/40/496490740.db2.gz PMRXTSIAUNISRU-IDIHFRQISA-N 1 1 355.438 3.083 20 5 FGBDMO COc1ccccc1[C@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181722135 496517704 /nfs/dbraw/zinc/51/77/04/496517704.db2.gz YFBUXZPDGXAEKH-DOTOQJQBSA-N 1 1 372.421 3.180 20 5 FGBDMO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000153628808 496523599 /nfs/dbraw/zinc/52/35/99/496523599.db2.gz ITXSAQUPTCRSRU-MLGOLLRUSA-N 1 1 363.845 3.337 20 5 FGBDMO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181887729 496587012 /nfs/dbraw/zinc/58/70/12/496587012.db2.gz NDOGPKAEDUGMFM-WBVHZDCISA-N 1 1 374.462 3.247 20 5 FGBDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181887729 496587015 /nfs/dbraw/zinc/58/70/15/496587015.db2.gz NDOGPKAEDUGMFM-WBVHZDCISA-N 1 1 374.462 3.247 20 5 FGBDMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000571956883 505854654 /nfs/dbraw/zinc/85/46/54/505854654.db2.gz NYNHDGQCSRTHIU-SJLPKXTDSA-N 1 1 374.437 3.426 20 5 FGBDMO CC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](C)c1cccc(O)c1 ZINC000181957945 496613203 /nfs/dbraw/zinc/61/32/03/496613203.db2.gz OMSHEUYYPYQNSC-YOEHRIQHSA-N 1 1 360.410 3.123 20 5 FGBDMO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000153886572 496613495 /nfs/dbraw/zinc/61/34/95/496613495.db2.gz GMNVMQMNALTOIU-PXAZEXFGSA-N 1 1 363.845 3.337 20 5 FGBDMO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC2 ZINC000154013197 496654252 /nfs/dbraw/zinc/65/42/52/496654252.db2.gz RDZXXFBCLBAAEE-HZPDHXFCSA-N 1 1 354.834 3.000 20 5 FGBDMO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C12CCC2 ZINC000154026754 496659064 /nfs/dbraw/zinc/65/90/64/496659064.db2.gz SFNSVZIEVUVEOE-HZPDHXFCSA-N 1 1 372.425 3.424 20 5 FGBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C12CCC2 ZINC000154026754 496659070 /nfs/dbraw/zinc/65/90/70/496659070.db2.gz SFNSVZIEVUVEOE-HZPDHXFCSA-N 1 1 372.425 3.424 20 5 FGBDMO COc1cccc(NCc2ccccc2C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000185118242 496667457 /nfs/dbraw/zinc/66/74/57/496667457.db2.gz QNZSXYLPGHFRES-UHFFFAOYSA-N 1 1 357.410 3.048 20 5 FGBDMO COC[C@H](Cc1ccccc1)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000191503041 496787365 /nfs/dbraw/zinc/78/73/65/496787365.db2.gz YFUKQADHKRDTDN-SFHVURJKSA-N 1 1 371.437 3.031 20 5 FGBDMO COC[C@H](Cc1ccccc1)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000191503041 496787371 /nfs/dbraw/zinc/78/73/71/496787371.db2.gz YFUKQADHKRDTDN-SFHVURJKSA-N 1 1 371.437 3.031 20 5 FGBDMO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@]2(CO)CC(C)C)cccc1[N+](=O)[O-] ZINC000191639755 496842682 /nfs/dbraw/zinc/84/26/82/496842682.db2.gz KQFUSLIGWUHTLF-IBGZPJMESA-N 1 1 363.458 3.105 20 5 FGBDMO Cc1c(NC(=O)CC[N@@H+]2CCC[C@]2(CO)CC(C)C)cccc1[N+](=O)[O-] ZINC000191639740 496842715 /nfs/dbraw/zinc/84/27/15/496842715.db2.gz KQFUSLIGWUHTLF-LJQANCHMSA-N 1 1 363.458 3.105 20 5 FGBDMO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCCc3c(O)cccc32)c2c(c1)COCO2 ZINC000191659461 496848517 /nfs/dbraw/zinc/84/85/17/496848517.db2.gz OAGHWIJFLVZLSR-QGZVFWFLSA-N 1 1 356.378 3.334 20 5 FGBDMO COc1cc(NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000195270744 496870748 /nfs/dbraw/zinc/87/07/48/496870748.db2.gz LNCVUKKQWDJLNI-GOSISDBHSA-N 1 1 371.437 3.172 20 5 FGBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000277886974 496921960 /nfs/dbraw/zinc/92/19/60/496921960.db2.gz DCWUJRKNSWRCRS-ZDUSSCGKSA-N 1 1 353.850 3.361 20 5 FGBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)CC1(O)CCOCC1 ZINC000188833657 496923479 /nfs/dbraw/zinc/92/34/79/496923479.db2.gz CLEPDXQKAMATQI-UHFFFAOYSA-N 1 1 362.451 3.297 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248062542 496950279 /nfs/dbraw/zinc/95/02/79/496950279.db2.gz PHFUCKLNIAVPKU-WMZOPIPTSA-N 1 1 354.410 3.470 20 5 FGBDMO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000269704679 496991985 /nfs/dbraw/zinc/99/19/85/496991985.db2.gz QLEOTQDNTOWETR-DJJJIMSYSA-N 1 1 368.437 3.165 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000248434312 497009956 /nfs/dbraw/zinc/00/99/56/497009956.db2.gz RBKWWDQMQHFSMU-YSVLISHTSA-N 1 1 361.442 3.443 20 5 FGBDMO C[N@H+]1CC[C@@H](CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000278160826 497023665 /nfs/dbraw/zinc/02/36/65/497023665.db2.gz AIHKPCQTTMSXTJ-QMMMGPOBSA-N 1 1 354.279 3.008 20 5 FGBDMO COc1cc(C[NH2+][C@@H](C)c2ccc3c(c2)CC(=O)N3C)c([N+](=O)[O-])cc1F ZINC000274306962 497066470 /nfs/dbraw/zinc/06/64/70/497066470.db2.gz LCVAASAVXKQPMX-NSHDSACASA-N 1 1 373.384 3.112 20 5 FGBDMO Cc1c(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000248747881 497097682 /nfs/dbraw/zinc/09/76/82/497097682.db2.gz FPZXNTKMMGBOAL-RDTXWAMCSA-N 1 1 353.422 3.154 20 5 FGBDMO Cc1cccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000248753527 497099318 /nfs/dbraw/zinc/09/93/18/497099318.db2.gz FZLUPFCQJXQPEI-CRAIPNDOSA-N 1 1 353.422 3.154 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000248851884 497118382 /nfs/dbraw/zinc/11/83/82/497118382.db2.gz OVVHWWBJAPXSRU-SCLBCKFNSA-N 1 1 373.840 3.499 20 5 FGBDMO COC(=O)[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@@H]1C ZINC000249091889 497164472 /nfs/dbraw/zinc/16/44/72/497164472.db2.gz OBVYTTWYFHXOMB-XJKSGUPXSA-N 1 1 350.415 3.013 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@@H]1C ZINC000249091889 497164473 /nfs/dbraw/zinc/16/44/73/497164473.db2.gz OBVYTTWYFHXOMB-XJKSGUPXSA-N 1 1 350.415 3.013 20 5 FGBDMO CCSc1cc(C[NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])ccn1 ZINC000189599727 497177903 /nfs/dbraw/zinc/17/79/03/497177903.db2.gz NDFLISSCAMTDHN-UHFFFAOYSA-N 1 1 363.439 3.409 20 5 FGBDMO CCO[C@@H]1C[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H]1OC ZINC000274885072 497190574 /nfs/dbraw/zinc/19/05/74/497190574.db2.gz CDEPSCCJIWWXGS-BZUAXINKSA-N 1 1 363.439 3.000 20 5 FGBDMO COc1ccc(C[N@@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)cc1[N+](=O)[O-] ZINC000266101252 497256023 /nfs/dbraw/zinc/25/60/23/497256023.db2.gz KOPFLVBBLMEYOF-AWEZNQCLSA-N 1 1 358.398 3.243 20 5 FGBDMO COc1ccc(C[N@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)cc1[N+](=O)[O-] ZINC000266101252 497256028 /nfs/dbraw/zinc/25/60/28/497256028.db2.gz KOPFLVBBLMEYOF-AWEZNQCLSA-N 1 1 358.398 3.243 20 5 FGBDMO C[C@H](c1cccnc1)[NH+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255167319 497360932 /nfs/dbraw/zinc/36/09/32/497360932.db2.gz DFJNNKROMJLKSQ-CTEOGUNLSA-N 1 1 352.438 3.382 20 5 FGBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC2(C1)CCOCC2 ZINC000266610037 497381005 /nfs/dbraw/zinc/38/10/05/497381005.db2.gz HPVDXVGVYSVRLQ-ZDUSSCGKSA-N 1 1 358.398 3.208 20 5 FGBDMO CC1(C)C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000190190513 497392809 /nfs/dbraw/zinc/39/28/09/497392809.db2.gz INNWLGMWNWZJGR-CYBMUJFWSA-N 1 1 359.348 3.104 20 5 FGBDMO CC1(C)C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000190190513 497392813 /nfs/dbraw/zinc/39/28/13/497392813.db2.gz INNWLGMWNWZJGR-CYBMUJFWSA-N 1 1 359.348 3.104 20 5 FGBDMO C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000271711364 497425555 /nfs/dbraw/zinc/42/55/55/497425555.db2.gz VGPLQBWPCYPBAH-HDMKZQKVSA-N 1 1 372.469 3.314 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000275801090 497435703 /nfs/dbraw/zinc/43/57/03/497435703.db2.gz LBYSGRIQZHSQFP-JSGCOSHPSA-N 1 1 351.834 3.113 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)C[C@@H](O)COCc1ccccc1 ZINC000245522464 497439711 /nfs/dbraw/zinc/43/97/11/497439711.db2.gz LWEYRUBWXKLLOG-QFBILLFUSA-N 1 1 358.438 3.474 20 5 FGBDMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267011405 497467908 /nfs/dbraw/zinc/46/79/08/497467908.db2.gz HMYUEERQYBIPMV-LBPRGKRZSA-N 1 1 353.394 3.081 20 5 FGBDMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267011405 497467912 /nfs/dbraw/zinc/46/79/12/497467912.db2.gz HMYUEERQYBIPMV-LBPRGKRZSA-N 1 1 353.394 3.081 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000267506673 497569849 /nfs/dbraw/zinc/56/98/49/497569849.db2.gz YQCWGJBVYYYVQP-KSSFIOAISA-N 1 1 371.412 3.374 20 5 FGBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CC[C@H]21 ZINC000246068985 497611236 /nfs/dbraw/zinc/61/12/36/497611236.db2.gz CPCQONNBPNESIQ-XHDPSFHLSA-N 1 1 371.359 3.170 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000246152408 497639575 /nfs/dbraw/zinc/63/95/75/497639575.db2.gz VQWVNTWAUUPJLT-NHYWBVRUSA-N 1 1 373.375 3.416 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000272498978 497645061 /nfs/dbraw/zinc/64/50/61/497645061.db2.gz GMCZYONCACKSOP-WBVHZDCISA-N 1 1 356.426 3.109 20 5 FGBDMO CC(C)[C@@H]1C[C@H]([NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000272540139 497655773 /nfs/dbraw/zinc/65/57/73/497655773.db2.gz OWKJFPKXHPFSSW-BPQIPLTHSA-N 1 1 358.442 3.211 20 5 FGBDMO CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272546993 497657906 /nfs/dbraw/zinc/65/79/06/497657906.db2.gz QIOWJOSWSGUTOO-SJORKVTESA-N 1 1 360.458 3.050 20 5 FGBDMO CO[C@]1(C)C[C@@H]([NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000272562778 497663799 /nfs/dbraw/zinc/66/37/99/497663799.db2.gz UKGOTMFQLPUWFC-GPMSIDNRSA-N 1 1 358.442 3.211 20 5 FGBDMO COc1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000272810484 497736018 /nfs/dbraw/zinc/73/60/18/497736018.db2.gz JDYOVFCXUMGSEQ-XJKSGUPXSA-N 1 1 374.441 3.084 20 5 FGBDMO CC[C@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000272896344 497755935 /nfs/dbraw/zinc/75/59/35/497755935.db2.gz YSABASUMODQWFV-WBMJQRKESA-N 1 1 363.439 3.044 20 5 FGBDMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000246859385 497817094 /nfs/dbraw/zinc/81/70/94/497817094.db2.gz DYCJWEOWNJVWTG-KBXCAEBGSA-N 1 1 369.425 3.022 20 5 FGBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000246941022 497821420 /nfs/dbraw/zinc/82/14/20/497821420.db2.gz HNULWVCPEIHWEM-UAGQMJEPSA-N 1 1 360.458 3.232 20 5 FGBDMO C[C@@H]1C[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C[C@]2(CCOC2)O1 ZINC000280603577 497823152 /nfs/dbraw/zinc/82/31/52/497823152.db2.gz VJTFLASKMWNSRP-QRQCRPRQSA-N 1 1 365.429 3.326 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C[C@]2(CCOC2)O1 ZINC000280603577 497823155 /nfs/dbraw/zinc/82/31/55/497823155.db2.gz VJTFLASKMWNSRP-QRQCRPRQSA-N 1 1 365.429 3.326 20 5 FGBDMO COc1cc(NC(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc(OC)c1 ZINC000292080320 497869925 /nfs/dbraw/zinc/86/99/25/497869925.db2.gz FOJOZWNRQIGYIS-UHFFFAOYSA-N 1 1 373.409 3.075 20 5 FGBDMO Cc1ccnc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000581259529 505945647 /nfs/dbraw/zinc/94/56/47/505945647.db2.gz MBVAKSJLHKZYER-LSDHHAIUSA-N 1 1 354.410 3.115 20 5 FGBDMO Cc1ccnc([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000581259529 505945650 /nfs/dbraw/zinc/94/56/50/505945650.db2.gz MBVAKSJLHKZYER-LSDHHAIUSA-N 1 1 354.410 3.115 20 5 FGBDMO O=C(CC[N@H+]1CCC=C(c2cccnc2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000296066389 497910169 /nfs/dbraw/zinc/91/01/69/497910169.db2.gz VAGXBHWLXVOVPT-UHFFFAOYSA-N 1 1 370.384 3.247 20 5 FGBDMO CC(=O)c1ccc(NC(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000292181464 497912563 /nfs/dbraw/zinc/91/25/63/497912563.db2.gz QNYLTFFMYOHBCZ-UHFFFAOYSA-N 1 1 355.394 3.261 20 5 FGBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2C[C@H](O)C(C)(C)C2)cc1OC ZINC000581290333 505952222 /nfs/dbraw/zinc/95/22/22/505952222.db2.gz GFQSFDXJLAULSI-ACJLOTCBSA-N 1 1 366.458 3.231 20 5 FGBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2C[C@H](O)C(C)(C)C2)cc1OC ZINC000581290333 505952225 /nfs/dbraw/zinc/95/22/25/505952225.db2.gz GFQSFDXJLAULSI-ACJLOTCBSA-N 1 1 366.458 3.231 20 5 FGBDMO C[C@@H]1CCC[N@@H+](CCCCNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000301085582 497945689 /nfs/dbraw/zinc/94/56/89/497945689.db2.gz JAYZKBSJDWRQPO-CYBMUJFWSA-N 1 1 359.430 3.168 20 5 FGBDMO C[NH+](C)[C@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)c1cccs1 ZINC000280973129 497970880 /nfs/dbraw/zinc/97/08/80/497970880.db2.gz MGUWTGNLGVXNGT-CYBMUJFWSA-N 1 1 359.411 3.020 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000292420815 498008834 /nfs/dbraw/zinc/00/88/34/498008834.db2.gz VGXRVQIBCQJWHL-OAHLLOKOSA-N 1 1 374.485 3.038 20 5 FGBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000281072499 498010452 /nfs/dbraw/zinc/01/04/52/498010452.db2.gz ZZTHIJQKDIOVPB-YOEHRIQHSA-N 1 1 368.437 3.069 20 5 FGBDMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285216011 498024285 /nfs/dbraw/zinc/02/42/85/498024285.db2.gz DYNMBRCIPODIKZ-AWEZNQCLSA-N 1 1 362.451 3.234 20 5 FGBDMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285216011 498024289 /nfs/dbraw/zinc/02/42/89/498024289.db2.gz DYNMBRCIPODIKZ-AWEZNQCLSA-N 1 1 362.451 3.234 20 5 FGBDMO C[N@H+]1CC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccs1 ZINC000364618929 498053048 /nfs/dbraw/zinc/05/30/48/498053048.db2.gz BECNNDIKUBMLKB-KBXCAEBGSA-N 1 1 359.451 3.008 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@H]1c1ccnn1C ZINC000281306288 498098452 /nfs/dbraw/zinc/09/84/52/498098452.db2.gz HUIPDFFVPJCDRT-SFHVURJKSA-N 1 1 371.441 3.193 20 5 FGBDMO Cc1noc([C@@H]2CCC[N@H+]2CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)n1 ZINC000285509201 498111865 /nfs/dbraw/zinc/11/18/65/498111865.db2.gz DGHIFUOOVBFYQA-HNNXBMFYSA-N 1 1 369.381 3.321 20 5 FGBDMO CC(C)(C)[C@@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1O ZINC000330853380 498205868 /nfs/dbraw/zinc/20/58/68/498205868.db2.gz MOXHSJBJLFOLIC-IAGOWNOFSA-N 1 1 359.426 3.479 20 5 FGBDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1O ZINC000330853380 498205874 /nfs/dbraw/zinc/20/58/74/498205874.db2.gz MOXHSJBJLFOLIC-IAGOWNOFSA-N 1 1 359.426 3.479 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000331152749 498263611 /nfs/dbraw/zinc/26/36/11/498263611.db2.gz OTONBPQWJQZFCZ-HNNXBMFYSA-N 1 1 351.472 3.119 20 5 FGBDMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3cccc([N+](=O)[O-])c3Cl)CC[C@H]21 ZINC000289784353 498291456 /nfs/dbraw/zinc/29/14/56/498291456.db2.gz TVMDIFUGHXBQMB-WCQYABFASA-N 1 1 352.822 3.196 20 5 FGBDMO CC(C)C[N@H+]1CC[C@@H](CNc2c(Br)cncc2[N+](=O)[O-])C1 ZINC000301881525 498309896 /nfs/dbraw/zinc/30/98/96/498309896.db2.gz KEWBYYKQQXKHLW-NSHDSACASA-N 1 1 357.252 3.142 20 5 FGBDMO COc1cc(NCc2ccc(-n3cc[nH+]c3C)nc2)c(F)cc1[N+](=O)[O-] ZINC000301913070 498324029 /nfs/dbraw/zinc/32/40/29/498324029.db2.gz CLWCLZJJDYPAMQ-UHFFFAOYSA-N 1 1 357.345 3.244 20 5 FGBDMO CCc1nn(C)c(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000301932271 498333982 /nfs/dbraw/zinc/33/39/82/498333982.db2.gz MIOFUXCENGQQMS-SWLSCSKDSA-N 1 1 363.487 3.447 20 5 FGBDMO Cc1cc(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000302071168 498396285 /nfs/dbraw/zinc/39/62/85/498396285.db2.gz YOAXMGXDIVMPFD-IBGZPJMESA-N 1 1 355.438 3.472 20 5 FGBDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000286446353 498399705 /nfs/dbraw/zinc/39/97/05/498399705.db2.gz HGPJLKOZABLPIP-UHFFFAOYSA-N 1 1 370.409 3.263 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)c1 ZINC000575904084 506029842 /nfs/dbraw/zinc/02/98/42/506029842.db2.gz OYOWXKXSKDCTGQ-OAHLLOKOSA-N 1 1 371.437 3.244 20 5 FGBDMO CC(C)c1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000365342585 498414704 /nfs/dbraw/zinc/41/47/04/498414704.db2.gz IPAPMDCNYSNMBB-INIZCTEOSA-N 1 1 371.441 3.289 20 5 FGBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000331715500 498429064 /nfs/dbraw/zinc/42/90/64/498429064.db2.gz NUDIYMQHUYVIQH-OLZOCXBDSA-N 1 1 369.874 3.083 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CC[NH+](C/C=C\c3ccc(F)c(F)c3)CC2)cn1 ZINC000581634668 506032628 /nfs/dbraw/zinc/03/26/28/506032628.db2.gz YIVZRFUCUALFPQ-UPHRSURJSA-N 1 1 360.364 3.103 20 5 FGBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293690145 498456523 /nfs/dbraw/zinc/45/65/23/498456523.db2.gz KXFPEYGNGKVDGH-GFCCVEGCSA-N 1 1 359.348 3.218 20 5 FGBDMO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(OC)nc2OC)cc1[N+](=O)[O-] ZINC000290225830 498471941 /nfs/dbraw/zinc/47/19/41/498471941.db2.gz RFMNVDHWLKEOIB-GFCCVEGCSA-N 1 1 361.398 3.257 20 5 FGBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)c1 ZINC000293902446 498527767 /nfs/dbraw/zinc/52/77/67/498527767.db2.gz WFJZTYYHKUXBDJ-GFCCVEGCSA-N 1 1 369.347 3.117 20 5 FGBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)c1 ZINC000293902446 498527773 /nfs/dbraw/zinc/52/77/73/498527773.db2.gz WFJZTYYHKUXBDJ-GFCCVEGCSA-N 1 1 369.347 3.117 20 5 FGBDMO COC(=O)c1cnc(Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)c([N+](=O)[O-])c1 ZINC000302759711 498562327 /nfs/dbraw/zinc/56/23/27/498562327.db2.gz JRBNTVOJEXTMBA-UHFFFAOYSA-N 1 1 367.365 3.284 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC000576013979 506056246 /nfs/dbraw/zinc/05/62/46/506056246.db2.gz LLVUHNGBOUZKAV-INIZCTEOSA-N 1 1 350.802 3.470 20 5 FGBDMO Cc1nccn1CCC[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000290496907 498574068 /nfs/dbraw/zinc/57/40/68/498574068.db2.gz OYPVVUGMZRXHBT-UHFFFAOYSA-N 1 1 368.441 3.022 20 5 FGBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000332157444 498582238 /nfs/dbraw/zinc/58/22/38/498582238.db2.gz XVBDHFPMMZDRRI-BRWVUGGUSA-N 1 1 361.486 3.477 20 5 FGBDMO Cc1cnn(-c2cc[nH+]cc2NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000569984713 506062357 /nfs/dbraw/zinc/06/23/57/506062357.db2.gz YQQVJFXLHGXHDO-CYBMUJFWSA-N 1 1 351.366 3.226 20 5 FGBDMO Cc1cccc(N2CCC(Nc3c4c(ccc3[N+](=O)[O-])NCC4)CC2)[nH+]1 ZINC000302884571 498616110 /nfs/dbraw/zinc/61/61/10/498616110.db2.gz LUWNDQHURJERGA-UHFFFAOYSA-N 1 1 353.426 3.347 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000365747169 498623247 /nfs/dbraw/zinc/62/32/47/498623247.db2.gz OWZMWYFMYFYLLJ-OALUTQOASA-N 1 1 365.433 3.189 20 5 FGBDMO Cc1cccc(NC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)[nH+]1 ZINC000363059923 498628202 /nfs/dbraw/zinc/62/82/02/498628202.db2.gz NBVOOHPBGRXNFC-UHFFFAOYSA-N 1 1 358.373 3.154 20 5 FGBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000363155960 498678192 /nfs/dbraw/zinc/67/81/92/498678192.db2.gz AGUNQXTUDFDRGI-ZIAGYGMSSA-N 1 1 372.450 3.075 20 5 FGBDMO CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC000581866447 506077855 /nfs/dbraw/zinc/07/78/55/506077855.db2.gz JILYVMIZMUOXOG-UHFFFAOYSA-N 1 1 372.473 3.184 20 5 FGBDMO COc1cc(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000294541333 498724198 /nfs/dbraw/zinc/72/41/98/498724198.db2.gz QHJNVHJXOUEHES-CYBMUJFWSA-N 1 1 367.421 3.127 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000303902634 498725820 /nfs/dbraw/zinc/72/58/20/498725820.db2.gz SVLJQOPMKFLYQD-INIZCTEOSA-N 1 1 355.438 3.310 20 5 FGBDMO Cc1cccc(CCC[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000287493095 498776458 /nfs/dbraw/zinc/77/64/58/498776458.db2.gz NKCFNRNAZUWVLL-LJQANCHMSA-N 1 1 365.437 3.344 20 5 FGBDMO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc(N2CCCNC2=O)cc1 ZINC000291068477 498781540 /nfs/dbraw/zinc/78/15/40/498781540.db2.gz LGBPSDQLOMNUNI-GFCCVEGCSA-N 1 1 360.439 3.427 20 5 FGBDMO C[N@@H+]1Cc2ccccc2[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000363451263 498828142 /nfs/dbraw/zinc/82/81/42/498828142.db2.gz XVBKPPPFYFXTFJ-KRWDZBQOSA-N 1 1 352.394 3.078 20 5 FGBDMO Cc1cccc(NC2CCN(C(=O)c3cccc([N+](=O)[O-])c3C)CC2)[nH+]1 ZINC000363664634 498932147 /nfs/dbraw/zinc/93/21/47/498932147.db2.gz ZEHQXIOCWNRHBM-UHFFFAOYSA-N 1 1 354.410 3.323 20 5 FGBDMO Cc1cc(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc(N2CCCC2)[nH+]1 ZINC000291446089 498942576 /nfs/dbraw/zinc/94/25/76/498942576.db2.gz NMHBUUKXAOEBSF-UHFFFAOYSA-N 1 1 374.828 3.482 20 5 FGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000582072857 506127280 /nfs/dbraw/zinc/12/72/80/506127280.db2.gz LRDWFIQXBWKDMT-FCUDFIOSSA-N 1 1 359.470 3.185 20 5 FGBDMO COc1ccc([C@@H](C[NH+](C)C)N[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000284070243 499042348 /nfs/dbraw/zinc/04/23/48/499042348.db2.gz NBDXWGOXTLDQBX-FZKQIMNGSA-N 1 1 358.442 3.139 20 5 FGBDMO Cc1nn(C)c(N2CCC[C@H]([N@@H+](C)Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000366828245 499087697 /nfs/dbraw/zinc/08/76/97/499087697.db2.gz ZCCIVRSNTAVAGJ-KRWDZBQOSA-N 1 1 357.458 3.128 20 5 FGBDMO CC(=O)NCc1ccc([C@@H]2CCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)o1 ZINC000364059675 499103868 /nfs/dbraw/zinc/10/38/68/499103868.db2.gz YITKXOLMMIPDOG-SFHVURJKSA-N 1 1 357.410 3.204 20 5 FGBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000367344887 499185618 /nfs/dbraw/zinc/18/56/18/499185618.db2.gz BRHWDMXBYCMJOS-HNNXBMFYSA-N 1 1 357.454 3.498 20 5 FGBDMO Cc1n[nH]cc1C1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000367458591 499201253 /nfs/dbraw/zinc/20/12/53/499201253.db2.gz MQHCHBOHBXNJIY-AWEZNQCLSA-N 1 1 371.441 3.141 20 5 FGBDMO CC(C)c1ccc(CN2CCC(C[NH+]3CCN(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000367689741 499225145 /nfs/dbraw/zinc/22/51/45/499225145.db2.gz SDFZXWWKSIXGMQ-UHFFFAOYSA-N 1 1 374.529 3.178 20 5 FGBDMO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000367735707 499229514 /nfs/dbraw/zinc/22/95/14/499229514.db2.gz BXVHTBHIBHKDEY-BNEJOLLZSA-N 1 1 370.453 3.211 20 5 FGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC=C(c3ccnc4[nH]ccc43)CC2)c1 ZINC000367783514 499233292 /nfs/dbraw/zinc/23/32/92/499233292.db2.gz MCBMMSPPRZQZBH-IBGZPJMESA-N 1 1 364.405 3.294 20 5 FGBDMO Cc1c(CC(=O)N2CCC[C@H]2Cn2cc[nH+]c2C(C)C)cccc1[N+](=O)[O-] ZINC000370816127 499257727 /nfs/dbraw/zinc/25/77/27/499257727.db2.gz JDQTYSLICQSIJK-KRWDZBQOSA-N 1 1 370.453 3.457 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000368062654 499260607 /nfs/dbraw/zinc/26/06/07/499260607.db2.gz QCGCCKPMEVERAF-OAHLLOKOSA-N 1 1 356.426 3.140 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000368062654 499260608 /nfs/dbraw/zinc/26/06/08/499260608.db2.gz QCGCCKPMEVERAF-OAHLLOKOSA-N 1 1 356.426 3.140 20 5 FGBDMO CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000370876721 499265957 /nfs/dbraw/zinc/26/59/57/499265957.db2.gz OGUZRJQQCIDJQO-INIZCTEOSA-N 1 1 372.425 3.157 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000371292613 499306524 /nfs/dbraw/zinc/30/65/24/499306524.db2.gz RBDTVTJGLHNRIY-INIZCTEOSA-N 1 1 368.393 3.125 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000371292613 499306525 /nfs/dbraw/zinc/30/65/25/499306525.db2.gz RBDTVTJGLHNRIY-INIZCTEOSA-N 1 1 368.393 3.125 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000368593585 499311775 /nfs/dbraw/zinc/31/17/75/499311775.db2.gz UAERHHSYJGAGAK-PKOBYXMFSA-N 1 1 360.502 3.065 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000368593585 499311777 /nfs/dbraw/zinc/31/17/77/499311777.db2.gz UAERHHSYJGAGAK-PKOBYXMFSA-N 1 1 360.502 3.065 20 5 FGBDMO C[N@@H+](C[C@H]1CC12CCN(c1ncc([N+](=O)[O-])cc1Cl)CC2)C1CC1 ZINC000371339254 499312889 /nfs/dbraw/zinc/31/28/89/499312889.db2.gz OBSFDDUVPGWEQZ-GFCCVEGCSA-N 1 1 350.850 3.344 20 5 FGBDMO Cc1ccc(C[N@H+]2CCCN(Cc3noc(C(C)C)n3)CC2)cc1[N+](=O)[O-] ZINC000371380080 499317642 /nfs/dbraw/zinc/31/76/42/499317642.db2.gz QNXLETACRNIWRX-UHFFFAOYSA-N 1 1 373.457 3.118 20 5 FGBDMO Cc1ccc(C[N@@H+]2CCCN(Cc3noc(C(C)C)n3)CC2)cc1[N+](=O)[O-] ZINC000371380080 499317644 /nfs/dbraw/zinc/31/76/44/499317644.db2.gz QNXLETACRNIWRX-UHFFFAOYSA-N 1 1 373.457 3.118 20 5 FGBDMO CC(=O)NCc1ccc([C@@H]2CCC[N@H+]2Cc2cccc([N+](=O)[O-])c2C)o1 ZINC000368782592 499332129 /nfs/dbraw/zinc/33/21/29/499332129.db2.gz CPAOCHZXNNUOLJ-SFHVURJKSA-N 1 1 357.410 3.469 20 5 FGBDMO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000368997333 499354846 /nfs/dbraw/zinc/35/48/46/499354846.db2.gz CRVHKOQPBWNJAA-CVEARBPZSA-N 1 1 371.441 3.072 20 5 FGBDMO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000368997333 499354848 /nfs/dbraw/zinc/35/48/48/499354848.db2.gz CRVHKOQPBWNJAA-CVEARBPZSA-N 1 1 371.441 3.072 20 5 FGBDMO Cc1ccc(C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000369568153 499419130 /nfs/dbraw/zinc/41/91/30/499419130.db2.gz KCAPDVNQSZATNX-PBHICJAKSA-N 1 1 359.451 3.388 20 5 FGBDMO C[N@H+]1CC[C@H](CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000369570154 499420032 /nfs/dbraw/zinc/42/00/32/499420032.db2.gz QAKDMZBRXHEYOT-GYHFNDTMSA-N 1 1 371.462 3.479 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@@]3(CCCCO3)C2)cccc1[N+](=O)[O-] ZINC000373183691 499456016 /nfs/dbraw/zinc/45/60/16/499456016.db2.gz SKJKKQZEEIBIOC-IBGZPJMESA-N 1 1 361.442 3.267 20 5 FGBDMO O=C(CC[N@@H+]1CCCC[C@@H]1c1cc[nH]n1)Nc1cc([N+](=O)[O-])ccc1F ZINC000375623894 499538925 /nfs/dbraw/zinc/53/89/25/499538925.db2.gz MDFDJAXUKHCBTF-MRXNPFEDSA-N 1 1 361.377 3.013 20 5 FGBDMO O=C(CC[N@H+]1CCCC[C@@H]1c1cc[nH]n1)Nc1cc([N+](=O)[O-])ccc1F ZINC000375623894 499538927 /nfs/dbraw/zinc/53/89/27/499538927.db2.gz MDFDJAXUKHCBTF-MRXNPFEDSA-N 1 1 361.377 3.013 20 5 FGBDMO Cc1nn(C)c(NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000394118043 499561353 /nfs/dbraw/zinc/56/13/53/499561353.db2.gz ULINCKQXOKEQDU-KRWDZBQOSA-N 1 1 357.458 3.351 20 5 FGBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398168295 499566826 /nfs/dbraw/zinc/56/68/26/499566826.db2.gz UEXBJTQKNDFWCT-PBHICJAKSA-N 1 1 357.458 3.442 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@]4(CCCCO4)C3)n2)c1 ZINC000376034972 499577664 /nfs/dbraw/zinc/57/76/64/499577664.db2.gz OTAZZRSQLPSDDW-SFHVURJKSA-N 1 1 358.398 3.180 20 5 FGBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@]4(CCCCO4)C3)n2)c1 ZINC000376034972 499577666 /nfs/dbraw/zinc/57/76/66/499577666.db2.gz OTAZZRSQLPSDDW-SFHVURJKSA-N 1 1 358.398 3.180 20 5 FGBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cc(Br)cs3)CC2)n1 ZINC000376478372 499611524 /nfs/dbraw/zinc/61/15/24/499611524.db2.gz OMRXAZOISGVVKZ-UHFFFAOYSA-N 1 1 371.260 3.452 20 5 FGBDMO CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000410088477 499640659 /nfs/dbraw/zinc/64/06/59/499640659.db2.gz PZNAEGPHTFKORV-KRWDZBQOSA-N 1 1 370.453 3.126 20 5 FGBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000410635720 499671705 /nfs/dbraw/zinc/67/17/05/499671705.db2.gz LXENWSNKYWAVNI-WDEREUQCSA-N 1 1 359.348 3.168 20 5 FGBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000377545333 499702870 /nfs/dbraw/zinc/70/28/70/499702870.db2.gz BVAIVILXMROCFG-WMZOPIPTSA-N 1 1 360.458 3.142 20 5 FGBDMO COc1cc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C(C)C)ccc1[N+](=O)[O-] ZINC000377795719 499735214 /nfs/dbraw/zinc/73/52/14/499735214.db2.gz QSFQUTWOHPZZOC-OAHLLOKOSA-N 1 1 372.425 3.228 20 5 FGBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC000411415882 499737378 /nfs/dbraw/zinc/73/73/78/499737378.db2.gz KLAZLXCTGLCBKW-KRWDZBQOSA-N 1 1 370.409 3.164 20 5 FGBDMO C[C@H]1COC[C@H](c2ccccc2)[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411432352 499739695 /nfs/dbraw/zinc/73/96/95/499739695.db2.gz WCJNTVKIOUDSNB-HNAYVOBHSA-N 1 1 369.421 3.385 20 5 FGBDMO C[C@H]1COC[C@H](c2ccccc2)[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411432352 499739697 /nfs/dbraw/zinc/73/96/97/499739697.db2.gz WCJNTVKIOUDSNB-HNAYVOBHSA-N 1 1 369.421 3.385 20 5 FGBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000411589563 499766577 /nfs/dbraw/zinc/76/65/77/499766577.db2.gz IEJSVFWVEYNQHI-JCGIZDLHSA-N 1 1 359.470 3.325 20 5 FGBDMO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000414419187 499789360 /nfs/dbraw/zinc/78/93/60/499789360.db2.gz ZQHVXEYCFYBEQB-OAHLLOKOSA-N 1 1 354.410 3.333 20 5 FGBDMO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000414419187 499789362 /nfs/dbraw/zinc/78/93/62/499789362.db2.gz ZQHVXEYCFYBEQB-OAHLLOKOSA-N 1 1 354.410 3.333 20 5 FGBDMO C[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000414418065 499789448 /nfs/dbraw/zinc/78/94/48/499789448.db2.gz YOZHXAAXIXEJTB-HNNXBMFYSA-N 1 1 354.410 3.333 20 5 FGBDMO C[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000414418065 499789450 /nfs/dbraw/zinc/78/94/50/499789450.db2.gz YOZHXAAXIXEJTB-HNNXBMFYSA-N 1 1 354.410 3.333 20 5 FGBDMO O=C(CC[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000411789546 499790939 /nfs/dbraw/zinc/79/09/39/499790939.db2.gz NONMNCUKUYSZDT-MSOLQXFVSA-N 1 1 373.453 3.205 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414784558 499830822 /nfs/dbraw/zinc/83/08/22/499830822.db2.gz RLALXGZVHDMBDY-OLZOCXBDSA-N 1 1 355.385 3.018 20 5 FGBDMO COc1ccc(CN[C@@H](C)CC[NH3+])cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414899541 499842932 /nfs/dbraw/zinc/84/29/32/499842932.db2.gz UXHXMLBTMVRRAZ-AWEZNQCLSA-N 1 1 359.426 3.009 20 5 FGBDMO Cn1cc[nH+]c1CC1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413123452 499916578 /nfs/dbraw/zinc/91/65/78/499916578.db2.gz CHIGBOIBWOGGLS-UHFFFAOYSA-N 1 1 369.347 3.201 20 5 FGBDMO CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000573307375 506167839 /nfs/dbraw/zinc/16/78/39/506167839.db2.gz MNXHVRPVGCCMTR-WMLDXEAASA-N 1 1 356.426 3.148 20 5 FGBDMO O=C(c1csc([N+](=O)[O-])c1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425001050 499988632 /nfs/dbraw/zinc/98/86/32/499988632.db2.gz CSNXRTHFNBBHRP-GOEBONIOSA-N 1 1 357.435 3.003 20 5 FGBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000416238848 499990737 /nfs/dbraw/zinc/99/07/37/499990737.db2.gz GCLMTNXZEKMDSL-UHFFFAOYSA-N 1 1 367.449 3.044 20 5 FGBDMO CC(C)([NH2+]CC(=O)NCc1cc(F)cc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000429229874 500027470 /nfs/dbraw/zinc/02/74/70/500027470.db2.gz WOZGSFBSYZYPGN-UHFFFAOYSA-N 1 1 363.364 3.014 20 5 FGBDMO CCC1(CO)CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425413534 500097095 /nfs/dbraw/zinc/09/70/95/500097095.db2.gz BPYDQQCYRYCPDU-UHFFFAOYSA-N 1 1 357.248 3.342 20 5 FGBDMO C[N@@H+](CCc1ccncc1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425422896 500101464 /nfs/dbraw/zinc/10/14/64/500101464.db2.gz PXMCWQNKKNBWAE-UHFFFAOYSA-N 1 1 350.216 3.427 20 5 FGBDMO C[N@H+]1CCC[C@H]2CN(Cc3ccc(Br)cc3[N+](=O)[O-])CC[C@H]21 ZINC000425428427 500103001 /nfs/dbraw/zinc/10/30/01/500103001.db2.gz WVZZJZBVHQZIPK-SWLSCSKDSA-N 1 1 368.275 3.273 20 5 FGBDMO C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C[C@@H]1CCCC[C@@H]1O ZINC000425457564 500112078 /nfs/dbraw/zinc/11/20/78/500112078.db2.gz LHHUXNRZYGYSAD-WFASDCNBSA-N 1 1 357.248 3.340 20 5 FGBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425550100 500142845 /nfs/dbraw/zinc/14/28/45/500142845.db2.gz MCMFHNPGNGQKLJ-SJLPKXTDSA-N 1 1 362.813 3.435 20 5 FGBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425550100 500142847 /nfs/dbraw/zinc/14/28/47/500142847.db2.gz MCMFHNPGNGQKLJ-SJLPKXTDSA-N 1 1 362.813 3.435 20 5 FGBDMO CC[N@H+](CCc1ccc(C(F)(F)F)cc1)Cc1c([N+](=O)[O-])ncn1C ZINC000425552432 500143032 /nfs/dbraw/zinc/14/30/32/500143032.db2.gz QKNRLTSTUMECJV-UHFFFAOYSA-N 1 1 356.348 3.412 20 5 FGBDMO CC[N@@H+](CCc1ccc(C(F)(F)F)cc1)Cc1c([N+](=O)[O-])ncn1C ZINC000425552432 500143036 /nfs/dbraw/zinc/14/30/36/500143036.db2.gz QKNRLTSTUMECJV-UHFFFAOYSA-N 1 1 356.348 3.412 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000421794010 500152479 /nfs/dbraw/zinc/15/24/79/500152479.db2.gz ZKACBXKDLQWYCV-ZWKOTPCHSA-N 1 1 353.422 3.039 20 5 FGBDMO COc1ccc(-c2ccc(CN3CC[C@]4(CC[N@@H+](C)C4)C3)o2)c([N+](=O)[O-])c1 ZINC000430115193 500194958 /nfs/dbraw/zinc/19/49/58/500194958.db2.gz FVAJWECFBAJOSI-FQEVSTJZSA-N 1 1 371.437 3.391 20 5 FGBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H](C)C1 ZINC000430147211 500200187 /nfs/dbraw/zinc/20/01/87/500200187.db2.gz KQIXONUHWPJBMN-XJKCOSOUSA-N 1 1 369.412 3.358 20 5 FGBDMO 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ZINC000428694776 500544797 /nfs/dbraw/zinc/54/47/97/500544797.db2.gz UHKAIGMBTCXDOQ-OAHLLOKOSA-N 1 1 366.483 3.255 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433055027 500614106 /nfs/dbraw/zinc/61/41/06/500614106.db2.gz XCCBXHMUTCTTIQ-MSOLQXFVSA-N 1 1 356.422 3.214 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433084965 500622892 /nfs/dbraw/zinc/62/28/92/500622892.db2.gz USASPGIZSJKLHG-MRXNPFEDSA-N 1 1 369.421 3.422 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433084965 500622895 /nfs/dbraw/zinc/62/28/95/500622895.db2.gz USASPGIZSJKLHG-MRXNPFEDSA-N 1 1 369.421 3.422 20 5 FGBDMO CC(C)[C@@H](C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)N1CCN(C)CC1 ZINC000433151644 500636245 /nfs/dbraw/zinc/63/62/45/500636245.db2.gz IYTLYFBQJYEWID-VQTJNVASSA-N 1 1 374.529 3.179 20 5 FGBDMO COCC[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@@H]1CCCSC1 ZINC000433182203 500640725 /nfs/dbraw/zinc/64/07/25/500640725.db2.gz MTKYVNLMXBANDZ-CYBMUJFWSA-N 1 1 358.435 3.087 20 5 FGBDMO COCC[N@@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@@H]1CCCSC1 ZINC000433182203 500640727 /nfs/dbraw/zinc/64/07/27/500640727.db2.gz MTKYVNLMXBANDZ-CYBMUJFWSA-N 1 1 358.435 3.087 20 5 FGBDMO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437856621 500707768 /nfs/dbraw/zinc/70/77/68/500707768.db2.gz XPWHGXRFVOBURY-LJQANCHMSA-N 1 1 359.470 3.441 20 5 FGBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000439101727 500856590 /nfs/dbraw/zinc/85/65/90/500856590.db2.gz YUXWMOGAYIRAOI-OAHLLOKOSA-N 1 1 360.458 3.402 20 5 FGBDMO C[C@H](c1ccsc1)[NH+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444687391 500879232 /nfs/dbraw/zinc/87/92/32/500879232.db2.gz UWYUVWUXIFTCSX-CYBMUJFWSA-N 1 1 371.466 3.411 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@]3(CO)Cc3ccccc3)nc2c1 ZINC000444702134 500882495 /nfs/dbraw/zinc/88/24/95/500882495.db2.gz IJOPUORBBNFDJI-FQEVSTJZSA-N 1 1 366.421 3.041 20 5 FGBDMO C[C@@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000611584701 506222995 /nfs/dbraw/zinc/22/29/95/506222995.db2.gz LCTPKOXMVZCKPH-KGLIPLIRSA-N 1 1 370.453 3.459 20 5 FGBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000439692101 500926964 /nfs/dbraw/zinc/92/69/64/500926964.db2.gz ONVMPOLCCCGLAG-GOSISDBHSA-N 1 1 361.486 3.499 20 5 FGBDMO CCCC1CCC([N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)C)CC1 ZINC000439790223 500939385 /nfs/dbraw/zinc/93/93/85/500939385.db2.gz HOGYLIZCVMMZPZ-LEOMRAHMSA-N 1 1 352.479 3.222 20 5 FGBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000445173561 500952040 /nfs/dbraw/zinc/95/20/40/500952040.db2.gz PCBZJRDQXKKDAL-OAHLLOKOSA-N 1 1 363.461 3.143 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000449499205 501018891 /nfs/dbraw/zinc/01/88/91/501018891.db2.gz TTXIKPONQJNOMU-DZGCQCFKSA-N 1 1 350.369 3.443 20 5 FGBDMO O=C1COc2ccc(C[N@@H+]3CCC[C@@H](c4ccc([N+](=O)[O-])cc4)C3)cc2N1 ZINC000449506594 501020678 /nfs/dbraw/zinc/02/06/78/501020678.db2.gz ZDEBIGAIUSJYNZ-MRXNPFEDSA-N 1 1 367.405 3.305 20 5 FGBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436071653 501065995 /nfs/dbraw/zinc/06/59/95/501065995.db2.gz DSQHAMIHUNLRNA-AWEZNQCLSA-N 1 1 374.444 3.252 20 5 FGBDMO COC(=O)[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1c1ccccc1 ZINC000449754991 501076688 /nfs/dbraw/zinc/07/66/88/501076688.db2.gz LJUHACIZUWBQEI-SJORKVTESA-N 1 1 358.369 3.123 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@H](C)[C@H]1Cc2ccccc2O1 ZINC000441045949 501079623 /nfs/dbraw/zinc/07/96/23/501079623.db2.gz MLZFIGYXLBHRGT-RDTXWAMCSA-N 1 1 369.421 3.166 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@H](C)[C@H]1Cc2ccccc2O1 ZINC000441045949 501079624 /nfs/dbraw/zinc/07/96/24/501079624.db2.gz MLZFIGYXLBHRGT-RDTXWAMCSA-N 1 1 369.421 3.166 20 5 FGBDMO Cc1nc(N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000450386847 501108122 /nfs/dbraw/zinc/10/81/22/501108122.db2.gz GKSWAWGCIJMEOZ-MSOLQXFVSA-N 1 1 367.453 3.184 20 5 FGBDMO Cc1[nH+]c(N2CCOCC2)ccc1Nc1nccc2c1cccc2[N+](=O)[O-] ZINC000450387212 501108257 /nfs/dbraw/zinc/10/82/57/501108257.db2.gz GMBGOIDBPMQPGY-UHFFFAOYSA-N 1 1 365.393 3.427 20 5 FGBDMO COc1ccc(OCC[N@@H+](C)CCN(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000441327941 501121387 /nfs/dbraw/zinc/12/13/87/501121387.db2.gz ZKJWHFUOLKRBRN-UHFFFAOYSA-N 1 1 359.426 3.050 20 5 FGBDMO COc1ccc([C@@H]2CC[N@@H+](CCOc3ccc(OC)cc3[N+](=O)[O-])C2)cc1 ZINC000441531737 501152357 /nfs/dbraw/zinc/15/23/57/501152357.db2.gz DZIAIPNWJYLERW-MRXNPFEDSA-N 1 1 372.421 3.480 20 5 FGBDMO Cc1nc(NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)ncc1[N+](=O)[O-] ZINC000450259372 501220933 /nfs/dbraw/zinc/22/09/33/501220933.db2.gz WHNJOILNMXWNKP-AWEZNQCLSA-N 1 1 355.442 3.102 20 5 FGBDMO O=C(CC[N@H+]1CCC[C@@H](c2ccncc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000451004391 501238441 /nfs/dbraw/zinc/23/84/41/501238441.db2.gz NALVLLXISKWNDB-MRXNPFEDSA-N 1 1 354.410 3.198 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc([C@@H]3CCCc4[nH+]ccn43)n2)c2c1NCCC2 ZINC000453231532 501295700 /nfs/dbraw/zinc/29/57/00/501295700.db2.gz FWDQGDWVJUVXDO-AWEZNQCLSA-N 1 1 366.381 3.125 20 5 FGBDMO COC(=O)c1ccc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)nc1 ZINC000451545492 501319275 /nfs/dbraw/zinc/31/92/75/501319275.db2.gz HNFXVOBREZAFSA-MRXNPFEDSA-N 1 1 355.394 3.156 20 5 FGBDMO NC(=O)[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548453 501320337 /nfs/dbraw/zinc/32/03/37/501320337.db2.gz NIHCWIJEJZKREC-QAPCUYQASA-N 1 1 357.385 3.140 20 5 FGBDMO NC(=O)[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548453 501320339 /nfs/dbraw/zinc/32/03/39/501320339.db2.gz NIHCWIJEJZKREC-QAPCUYQASA-N 1 1 357.385 3.140 20 5 FGBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](C[C@H](O)COc3ccccc3)C2)cc1 ZINC000451557839 501323912 /nfs/dbraw/zinc/32/39/12/501323912.db2.gz FKXRPMGOEZOVCE-MJGOQNOKSA-N 1 1 356.422 3.214 20 5 FGBDMO CO[C@@H]1C[C@@H]([N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C12CCC2 ZINC000451823642 501380363 /nfs/dbraw/zinc/38/03/63/501380363.db2.gz APIVHBBYRNLQFI-HUUCEWRRSA-N 1 1 358.398 3.034 20 5 FGBDMO CO[C@@H]1C[C@@H]([N@@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C12CCC2 ZINC000451823642 501380366 /nfs/dbraw/zinc/38/03/66/501380366.db2.gz APIVHBBYRNLQFI-HUUCEWRRSA-N 1 1 358.398 3.034 20 5 FGBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000451883470 501392711 /nfs/dbraw/zinc/39/27/11/501392711.db2.gz FDYXIAWNNMJDLZ-PRHODGIISA-N 1 1 372.265 3.359 20 5 FGBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000451883470 501392712 /nfs/dbraw/zinc/39/27/12/501392712.db2.gz FDYXIAWNNMJDLZ-PRHODGIISA-N 1 1 372.265 3.359 20 5 FGBDMO C[C@H]1CN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[N@H+](C2CC2)C1 ZINC000458438271 501444105 /nfs/dbraw/zinc/44/41/05/501444105.db2.gz UGRXNFVWIBMNRS-MRXNPFEDSA-N 1 1 374.485 3.043 20 5 FGBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[N@H+](Cc2ccccc2)C1 ZINC000456299106 501491700 /nfs/dbraw/zinc/49/17/00/501491700.db2.gz DXEDHIPCWPTTDJ-AWEZNQCLSA-N 1 1 359.451 3.250 20 5 FGBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456299106 501491702 /nfs/dbraw/zinc/49/17/02/501491702.db2.gz DXEDHIPCWPTTDJ-AWEZNQCLSA-N 1 1 359.451 3.250 20 5 FGBDMO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[N@H+](Cc2ccccc2)C1 ZINC000456299108 501491757 /nfs/dbraw/zinc/49/17/57/501491757.db2.gz DXEDHIPCWPTTDJ-CQSZACIVSA-N 1 1 359.451 3.250 20 5 FGBDMO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456299108 501491759 /nfs/dbraw/zinc/49/17/59/501491759.db2.gz DXEDHIPCWPTTDJ-CQSZACIVSA-N 1 1 359.451 3.250 20 5 FGBDMO C[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456324300 501498139 /nfs/dbraw/zinc/49/81/39/501498139.db2.gz FGDLZLIUMYXQLN-CQSZACIVSA-N 1 1 359.451 3.250 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000456342098 501504285 /nfs/dbraw/zinc/50/42/85/501504285.db2.gz QJWZRLMKRXHTDH-INIZCTEOSA-N 1 1 367.449 3.497 20 5 FGBDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000456353423 501507309 /nfs/dbraw/zinc/50/73/09/501507309.db2.gz OMLRGDUBYSCEOS-AWEZNQCLSA-N 1 1 374.466 3.275 20 5 FGBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000456353423 501507310 /nfs/dbraw/zinc/50/73/10/501507310.db2.gz OMLRGDUBYSCEOS-AWEZNQCLSA-N 1 1 374.466 3.275 20 5 FGBDMO CC[C@H](C)[NH+]1CCN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC1 ZINC000456539668 501545096 /nfs/dbraw/zinc/54/50/96/501545096.db2.gz YOAAANFHWBDJFE-HNNXBMFYSA-N 1 1 368.437 3.213 20 5 FGBDMO C[N@@H+](CCCCNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000459173647 501608411 /nfs/dbraw/zinc/60/84/11/501608411.db2.gz ZGZQSZNLXKNGSX-UHFFFAOYSA-N 1 1 360.458 3.143 20 5 FGBDMO CC1(C)CCC[N@H+]1CCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000457055462 501641845 /nfs/dbraw/zinc/64/18/45/501641845.db2.gz MRQVJEXOXQIHPW-UHFFFAOYSA-N 1 1 359.348 3.218 20 5 FGBDMO O=[N+]([O-])c1cccc(Br)c1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000596119331 506268286 /nfs/dbraw/zinc/26/82/86/506268286.db2.gz CINNRAHLDAJCNX-LBPRGKRZSA-N 1 1 354.248 3.422 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000463450559 501726775 /nfs/dbraw/zinc/72/67/75/501726775.db2.gz TVSBNZNUQSGUTJ-OAQYLSRUSA-N 1 1 370.449 3.421 20 5 FGBDMO COCC[C@H]1CCCC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000467269358 501752834 /nfs/dbraw/zinc/75/28/34/501752834.db2.gz RNPJBEFSUZOXOI-OAHLLOKOSA-N 1 1 352.431 3.121 20 5 FGBDMO CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460212235 501761796 /nfs/dbraw/zinc/76/17/96/501761796.db2.gz RZSFKNABSSWDOX-HOCLYGCPSA-N 1 1 372.473 3.182 20 5 FGBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2c2ccc(Br)cc2)n1 ZINC000477756326 501778380 /nfs/dbraw/zinc/77/83/80/501778380.db2.gz VBTUWPVDEABALL-CQSZACIVSA-N 1 1 365.231 3.391 20 5 FGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]2c2ccc(Br)cc2)n1 ZINC000477756326 501778383 /nfs/dbraw/zinc/77/83/83/501778383.db2.gz VBTUWPVDEABALL-CQSZACIVSA-N 1 1 365.231 3.391 20 5 FGBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]2c2ccc(Br)cc2)n1 ZINC000477756325 501778891 /nfs/dbraw/zinc/77/88/91/501778891.db2.gz VBTUWPVDEABALL-AWEZNQCLSA-N 1 1 365.231 3.391 20 5 FGBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]2c2ccc(Br)cc2)n1 ZINC000477756325 501778897 /nfs/dbraw/zinc/77/88/97/501778897.db2.gz VBTUWPVDEABALL-AWEZNQCLSA-N 1 1 365.231 3.391 20 5 FGBDMO Cc1c(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000481470675 501784423 /nfs/dbraw/zinc/78/44/23/501784423.db2.gz YESVAGHEXVFZLF-IBGZPJMESA-N 1 1 367.449 3.432 20 5 FGBDMO COC(=O)COc1ccc(C[NH2+]Cc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000474364878 501807092 /nfs/dbraw/zinc/80/70/92/501807092.db2.gz CKFXKIHGOBHNBL-UHFFFAOYSA-N 1 1 364.785 3.090 20 5 FGBDMO CC[C@H]1C[N@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CCCO1 ZINC000467553459 501824801 /nfs/dbraw/zinc/82/48/01/501824801.db2.gz JKCHNULEYOHVFR-ZDUSSCGKSA-N 1 1 374.384 3.248 20 5 FGBDMO CC[C@H]1C[N@@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CCCO1 ZINC000467553459 501824805 /nfs/dbraw/zinc/82/48/05/501824805.db2.gz JKCHNULEYOHVFR-ZDUSSCGKSA-N 1 1 374.384 3.248 20 5 FGBDMO C[NH+](C)Cc1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000478046646 501864691 /nfs/dbraw/zinc/86/46/91/501864691.db2.gz JVPJUSBAHYZSMW-UHFFFAOYSA-N 1 1 363.801 3.327 20 5 FGBDMO CCn1c2ccc(C)cc2[nH+]c1NCc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000460678658 501893951 /nfs/dbraw/zinc/89/39/51/501893951.db2.gz ZEUJVMINONGNIL-UHFFFAOYSA-N 1 1 356.382 3.021 20 5 FGBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C[C@@H]1COc2ccccc2O1 ZINC000485741259 501921341 /nfs/dbraw/zinc/92/13/41/501921341.db2.gz CODUMKUQYSWXOS-OAHLLOKOSA-N 1 1 358.394 3.265 20 5 FGBDMO COc1cc(NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)c([N+](=O)[O-])cc1C ZINC000596153337 506283404 /nfs/dbraw/zinc/28/34/04/506283404.db2.gz YFXXGLMGGRLDNT-UHFFFAOYSA-N 1 1 371.441 3.400 20 5 FGBDMO Cn1cc(Br)cc1C[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000468106545 501959138 /nfs/dbraw/zinc/95/91/38/501959138.db2.gz QUHHOUAASYHKFX-UHFFFAOYSA-N 1 1 368.231 3.207 20 5 FGBDMO COc1cc(C[NH2+][C@H](c2cnn(C)c2)C(C)(C)C)c([N+](=O)[O-])cc1F ZINC000464478473 502000988 /nfs/dbraw/zinc/00/09/88/502000988.db2.gz FRZHFDNHTHYXFB-MRXNPFEDSA-N 1 1 350.394 3.353 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000475091992 502053742 /nfs/dbraw/zinc/05/37/42/502053742.db2.gz KXVVHDAWATZDCM-AWEZNQCLSA-N 1 1 350.415 3.015 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CCCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000475126301 502069594 /nfs/dbraw/zinc/06/95/94/502069594.db2.gz CVDODSSCFDHVQZ-UHFFFAOYSA-N 1 1 350.415 3.159 20 5 FGBDMO C[C@@H](c1cccnc1)[NH+]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599046864 506291564 /nfs/dbraw/zinc/29/15/64/506291564.db2.gz SODROLZEXZUHQC-HNNXBMFYSA-N 1 1 363.421 3.421 20 5 FGBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000468477862 502071988 /nfs/dbraw/zinc/07/19/88/502071988.db2.gz IKOZFPSNYKKGMK-AWEZNQCLSA-N 1 1 373.375 3.464 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000482512697 502094934 /nfs/dbraw/zinc/09/49/34/502094934.db2.gz PWVHVJDEAAIJSP-ALCCZGGFSA-N 1 1 370.405 3.292 20 5 FGBDMO CC[C@@H](Nc1ccc([N+](=O)[O-])nc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000471694393 502110642 /nfs/dbraw/zinc/11/06/42/502110642.db2.gz UEBGMMRPPVUNEY-MSOLQXFVSA-N 1 1 356.426 3.081 20 5 FGBDMO CC[C@@H](Nc1ccc([N+](=O)[O-])nc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000471694393 502110646 /nfs/dbraw/zinc/11/06/46/502110646.db2.gz UEBGMMRPPVUNEY-MSOLQXFVSA-N 1 1 356.426 3.081 20 5 FGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000602772608 506294403 /nfs/dbraw/zinc/29/44/03/506294403.db2.gz VFDTWNIJKTVTCJ-UHFFFAOYSA-N 1 1 369.425 3.319 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475301675 502125843 /nfs/dbraw/zinc/12/58/43/502125843.db2.gz JUBOGLHGOBPXNO-GOSISDBHSA-N 1 1 353.422 3.250 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@@H]3Cc3ccccc3)n2)cc1 ZINC000479119960 502168684 /nfs/dbraw/zinc/16/86/84/502168684.db2.gz TXHDMVDQSSDQCB-QGZVFWFLSA-N 1 1 350.378 3.462 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@@H]3Cc3ccccc3)n2)cc1 ZINC000479119960 502168689 /nfs/dbraw/zinc/16/86/89/502168689.db2.gz TXHDMVDQSSDQCB-QGZVFWFLSA-N 1 1 350.378 3.462 20 5 FGBDMO CC[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1cccc([N+](=O)[O-])c1 ZINC000468818289 502193821 /nfs/dbraw/zinc/19/38/21/502193821.db2.gz CEEBPXVRQYHRLH-AWEZNQCLSA-N 1 1 354.453 3.301 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000475573598 502216644 /nfs/dbraw/zinc/21/66/44/502216644.db2.gz LTTCGPLCZAASAM-MRXNPFEDSA-N 1 1 356.378 3.094 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000475573598 502216649 /nfs/dbraw/zinc/21/66/49/502216649.db2.gz LTTCGPLCZAASAM-MRXNPFEDSA-N 1 1 356.378 3.094 20 5 FGBDMO COC(=O)COc1ccc(C[N@@H+]2C[C@@H](C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000475702857 502258373 /nfs/dbraw/zinc/25/83/73/502258373.db2.gz OEZBQLYQIVAQPR-JLTOFOAXSA-N 1 1 370.405 3.340 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2C[C@@H](C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000475702857 502258379 /nfs/dbraw/zinc/25/83/79/502258379.db2.gz OEZBQLYQIVAQPR-JLTOFOAXSA-N 1 1 370.405 3.340 20 5 FGBDMO Cc1cc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000462163471 502330562 /nfs/dbraw/zinc/33/05/62/502330562.db2.gz KGVZGCBMBHGADL-BEFAXECRSA-N 1 1 353.422 3.154 20 5 FGBDMO Cc1c(CNC(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000479733973 502360320 /nfs/dbraw/zinc/36/03/20/502360320.db2.gz HEZDUQPUEFYWQB-OAHLLOKOSA-N 1 1 370.453 3.223 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000487142648 502370957 /nfs/dbraw/zinc/37/09/57/502370957.db2.gz ORGCEKJNUFAVEP-GOSISDBHSA-N 1 1 367.449 3.198 20 5 FGBDMO Cc1c(CNC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000479776489 502375111 /nfs/dbraw/zinc/37/51/11/502375111.db2.gz ZXRYCFCHGFSYPV-NVXWUHKLSA-N 1 1 374.485 3.355 20 5 FGBDMO C[C@@H](c1ccsc1)[NH+]1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000462452846 502444771 /nfs/dbraw/zinc/44/47/71/502444771.db2.gz QBQWNKYOYWQZMD-HNNXBMFYSA-N 1 1 361.467 3.414 20 5 FGBDMO C[C@@H](Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)C1=CC[N@@H+](C)CC1 ZINC000462701872 502539742 /nfs/dbraw/zinc/53/97/42/502539742.db2.gz HVUVFKVLINFJQV-OAHLLOKOSA-N 1 1 368.437 3.053 20 5 FGBDMO C[N@@H+](CCn1cc([N+](=O)[O-])c(=O)c2ccccc21)Cc1ccc(F)cc1 ZINC000487897974 502560106 /nfs/dbraw/zinc/56/01/06/502560106.db2.gz OJSQQJZATPVLNP-UHFFFAOYSA-N 1 1 355.369 3.181 20 5 FGBDMO CC[C@H](NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000484136646 502579180 /nfs/dbraw/zinc/57/91/80/502579180.db2.gz VSURXHLCMKJNGF-LEWJYISDSA-N 1 1 369.465 3.273 20 5 FGBDMO CC[C@H]([NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000484136646 502579182 /nfs/dbraw/zinc/57/91/82/502579182.db2.gz VSURXHLCMKJNGF-LEWJYISDSA-N 1 1 369.465 3.273 20 5 FGBDMO COC(=O)c1coc([C@H](C)[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000602841643 506322162 /nfs/dbraw/zinc/32/21/62/506322162.db2.gz OWSNGTYDGCMKTD-JSGCOSHPSA-N 1 1 359.382 3.310 20 5 FGBDMO COC(=O)c1coc([C@H](C)[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000602841643 506322166 /nfs/dbraw/zinc/32/21/66/506322166.db2.gz OWSNGTYDGCMKTD-JSGCOSHPSA-N 1 1 359.382 3.310 20 5 FGBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccco3)CC2)cc1OC(F)F ZINC000462920092 502626881 /nfs/dbraw/zinc/62/68/81/502626881.db2.gz PTBQHJHSVUPDMS-UHFFFAOYSA-N 1 1 353.325 3.111 20 5 FGBDMO Cc1cc(N2CC[C@H]3CC[N@H+](C)C[C@H]32)c(Br)cc1[N+](=O)[O-] ZINC000473536698 502628496 /nfs/dbraw/zinc/62/84/96/502628496.db2.gz XACGWEFKAYPEMK-IAQYHMDHSA-N 1 1 354.248 3.196 20 5 FGBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000462990923 502653051 /nfs/dbraw/zinc/65/30/51/502653051.db2.gz JFGHKYMOYLLNFQ-RTBURBONSA-N 1 1 373.497 3.354 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@]3(CCCOC3)C2)cccc1[N+](=O)[O-] ZINC000477046159 502660070 /nfs/dbraw/zinc/66/00/70/502660070.db2.gz FSJQNHBOVRLCPX-DNVCBOLYSA-N 1 1 361.442 3.123 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](c3cccnc3)C2)c2c(c1)COCO2 ZINC000602853120 506327984 /nfs/dbraw/zinc/32/79/84/506327984.db2.gz HEFISYPGEQTAPJ-OAHLLOKOSA-N 1 1 355.394 3.236 20 5 FGBDMO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000470146672 502678132 /nfs/dbraw/zinc/67/81/32/502678132.db2.gz KTKHGEUFRWAOHB-YEWDVWPNSA-N 1 1 371.462 3.409 20 5 FGBDMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470151315 502680269 /nfs/dbraw/zinc/68/02/69/502680269.db2.gz HDYGYAHLDGLXNH-HNNXBMFYSA-N 1 1 372.400 3.378 20 5 FGBDMO COC(=O)c1c(Cl)c(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000596257884 506330633 /nfs/dbraw/zinc/33/06/33/506330633.db2.gz SQFUIEPGNGKKMD-FGWVZKOKSA-N 1 1 353.806 3.072 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000488468519 502723297 /nfs/dbraw/zinc/72/32/97/502723297.db2.gz PHCUFDQAWJBXFR-HIFRSBDPSA-N 1 1 359.451 3.297 20 5 FGBDMO O=C(NC1CC1)c1ccc(NC[C@@H]2CC[N@H+]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000599128007 506335272 /nfs/dbraw/zinc/33/52/72/506335272.db2.gz UQCVBIJPPWMTNX-KRWDZBQOSA-N 1 1 372.469 3.306 20 5 FGBDMO CC(C)(C)Oc1cc(NCC[N@@H+]2CCOCC2(C)C)ccc1[N+](=O)[O-] ZINC000485118863 502817020 /nfs/dbraw/zinc/81/70/20/502817020.db2.gz FWBPHFTUHQNOIY-UHFFFAOYSA-N 1 1 351.447 3.295 20 5 FGBDMO CC(C)(C)Oc1cc(NCC[N@H+]2CCOCC2(C)C)ccc1[N+](=O)[O-] ZINC000485118863 502817021 /nfs/dbraw/zinc/81/70/21/502817021.db2.gz FWBPHFTUHQNOIY-UHFFFAOYSA-N 1 1 351.447 3.295 20 5 FGBDMO O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000602885543 506336873 /nfs/dbraw/zinc/33/68/73/506336873.db2.gz XWYYOBSDHVABJF-AWEZNQCLSA-N 1 1 350.378 3.233 20 5 FGBDMO Cc1cc(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000500853649 502878417 /nfs/dbraw/zinc/87/84/17/502878417.db2.gz VHYDYFPOIXJAGP-CRAIPNDOSA-N 1 1 353.422 3.469 20 5 FGBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000509760594 502981122 /nfs/dbraw/zinc/98/11/22/502981122.db2.gz HVGPNHYKJCGNNV-AWEZNQCLSA-N 1 1 365.499 3.314 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@@H](CNc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000596309325 506350364 /nfs/dbraw/zinc/35/03/64/506350364.db2.gz YOZZUXGSAIAJNU-JTQLQIEISA-N 1 1 357.252 3.285 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1ccc([N+](=O)[O-])cc1 ZINC000514086236 503083849 /nfs/dbraw/zinc/08/38/49/503083849.db2.gz ZWRHNNMFUHHCLJ-MJGOQNOKSA-N 1 1 364.405 3.011 20 5 FGBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1C ZINC000498548619 503206337 /nfs/dbraw/zinc/20/63/37/503206337.db2.gz BTGASIUUQUMWSB-OLZOCXBDSA-N 1 1 374.466 3.273 20 5 FGBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000510950940 503223850 /nfs/dbraw/zinc/22/38/50/503223850.db2.gz MEDFIHPQDALFEU-CHWSQXEVSA-N 1 1 373.375 3.436 20 5 FGBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000510970713 503227618 /nfs/dbraw/zinc/22/76/18/503227618.db2.gz SVFITDQWAZRKBO-QWHCGFSZSA-N 1 1 373.375 3.436 20 5 FGBDMO C[N@@H+](CCOCC(F)(F)C(F)(F)F)CCc1ccccc1[N+](=O)[O-] ZINC000511126930 503263362 /nfs/dbraw/zinc/26/33/62/503263362.db2.gz SHEHYLAJCOGJIK-UHFFFAOYSA-N 1 1 356.291 3.283 20 5 FGBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)COc1ccc(Cl)cc1 ZINC000511135696 503266199 /nfs/dbraw/zinc/26/61/99/503266199.db2.gz HAOFEGQPHXVMBT-INIZCTEOSA-N 1 1 364.829 3.162 20 5 FGBDMO Cc1cc(C)cc(OC[C@H](O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000511135762 503266288 /nfs/dbraw/zinc/26/62/88/503266288.db2.gz HTBIQERPGGIUGN-GOSISDBHSA-N 1 1 358.438 3.126 20 5 FGBDMO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511139242 503267337 /nfs/dbraw/zinc/26/73/37/503267337.db2.gz QADRQLHIDXFMAR-HZPDHXFCSA-N 1 1 367.449 3.435 20 5 FGBDMO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511139242 503267342 /nfs/dbraw/zinc/26/73/42/503267342.db2.gz QADRQLHIDXFMAR-HZPDHXFCSA-N 1 1 367.449 3.435 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000507301575 503273505 /nfs/dbraw/zinc/27/35/05/503273505.db2.gz KLLXMWMJDYQNFR-WBMJQRKESA-N 1 1 363.483 3.309 20 5 FGBDMO COc1cccc([C@H](C)[NH+]2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000507689639 503348371 /nfs/dbraw/zinc/34/83/71/503348371.db2.gz TXLXCUOFEWNWNY-INIZCTEOSA-N 1 1 355.438 3.482 20 5 FGBDMO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000503215590 503369930 /nfs/dbraw/zinc/36/99/30/503369930.db2.gz JXWSLQXRHQDALG-INIZCTEOSA-N 1 1 371.437 3.125 20 5 FGBDMO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000503215590 503369931 /nfs/dbraw/zinc/36/99/31/503369931.db2.gz JXWSLQXRHQDALG-INIZCTEOSA-N 1 1 371.437 3.125 20 5 FGBDMO CCOc1cc(C[N@@H+]2C[C@H](CC)N(C(C)=O)C[C@@H]2CC)ccc1[N+](=O)[O-] ZINC000492647123 503378874 /nfs/dbraw/zinc/37/88/74/503378874.db2.gz CSHXXAUNIIKOFY-IRXDYDNUSA-N 1 1 363.458 3.215 20 5 FGBDMO CCOc1cc(C[N@H+]2C[C@H](CC)N(C(C)=O)C[C@@H]2CC)ccc1[N+](=O)[O-] ZINC000492647123 503378875 /nfs/dbraw/zinc/37/88/75/503378875.db2.gz CSHXXAUNIIKOFY-IRXDYDNUSA-N 1 1 363.458 3.215 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000507927543 503397494 /nfs/dbraw/zinc/39/74/94/503397494.db2.gz LAZVZLHEDJNYHD-GOSISDBHSA-N 1 1 354.385 3.389 20 5 FGBDMO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000516103186 503446105 /nfs/dbraw/zinc/44/61/05/503446105.db2.gz ATPAHPFTAAWKTI-MQIPJXDCSA-N 1 1 351.834 3.051 20 5 FGBDMO C[N@H+](CCc1nc(-c2ccccc2)no1)Cc1ccc([N+](=O)[O-])cc1F ZINC000512181845 503478805 /nfs/dbraw/zinc/47/88/05/503478805.db2.gz QQMGUTHMDPDWMZ-UHFFFAOYSA-N 1 1 356.357 3.458 20 5 FGBDMO C[N@@H+](CCc1nc(-c2ccccc2)no1)Cc1ccc([N+](=O)[O-])cc1F ZINC000512181845 503478811 /nfs/dbraw/zinc/47/88/11/503478811.db2.gz QQMGUTHMDPDWMZ-UHFFFAOYSA-N 1 1 356.357 3.458 20 5 FGBDMO COc1ccc(NC(=O)C[N@H+](C)Cc2cccc3[nH]ccc32)c([N+](=O)[O-])c1 ZINC000494087733 503486230 /nfs/dbraw/zinc/48/62/30/503486230.db2.gz HKYVJUXLOGOVMH-UHFFFAOYSA-N 1 1 368.393 3.155 20 5 FGBDMO COc1ccc(NC(=O)C[N@@H+](C)Cc2cccc3[nH]ccc32)c([N+](=O)[O-])c1 ZINC000494087733 503486233 /nfs/dbraw/zinc/48/62/33/503486233.db2.gz HKYVJUXLOGOVMH-UHFFFAOYSA-N 1 1 368.393 3.155 20 5 FGBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCc2ccccc2C1 ZINC000500101852 503555103 /nfs/dbraw/zinc/55/51/03/503555103.db2.gz ZOTKETUSVKOZKR-QGZVFWFLSA-N 1 1 353.422 3.413 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](OCC3CC3)C2)cccc1[N+](=O)[O-] ZINC000494652469 503583720 /nfs/dbraw/zinc/58/37/20/503583720.db2.gz IMHPLWNHLINNDT-MRXNPFEDSA-N 1 1 361.442 3.123 20 5 FGBDMO O=C1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CN1c1ccc(Cl)c(F)c1 ZINC000500250038 503588678 /nfs/dbraw/zinc/58/86/78/503588678.db2.gz OEFDRDSYPNQYLR-SNVBAGLBSA-N 1 1 369.805 3.344 20 5 FGBDMO CCN1CC[C@@H]([N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000532988507 503690105 /nfs/dbraw/zinc/69/01/05/503690105.db2.gz XWFZAIAEZIWYAK-GOEBONIOSA-N 1 1 362.474 3.036 20 5 FGBDMO CCN1CC[C@@H]([N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000532988507 503690111 /nfs/dbraw/zinc/69/01/11/503690111.db2.gz XWFZAIAEZIWYAK-GOEBONIOSA-N 1 1 362.474 3.036 20 5 FGBDMO COCC[N@@H+](C)CCCC1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000543791531 503894919 /nfs/dbraw/zinc/89/49/19/503894919.db2.gz NXXXBWUPXJQVHE-UHFFFAOYSA-N 1 1 364.490 3.181 20 5 FGBDMO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000544116450 504013380 /nfs/dbraw/zinc/01/33/80/504013380.db2.gz GZNKWDDOQICKAM-ACJLOTCBSA-N 1 1 369.421 3.285 20 5 FGBDMO CC(C)[N@H+](Cc1ccccc1F)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000541272425 504069039 /nfs/dbraw/zinc/06/90/39/504069039.db2.gz CZIZEJHRQDAAOJ-INIZCTEOSA-N 1 1 362.401 3.384 20 5 FGBDMO Cc1ccc([C@@H]2CC[N@H+](CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000541387450 504112912 /nfs/dbraw/zinc/11/29/12/504112912.db2.gz SIKYTTDQIFWWFI-QGZVFWFLSA-N 1 1 374.462 3.166 20 5 FGBDMO Cc1ccc([C@@H]2CC[N@@H+](CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000541387450 504112917 /nfs/dbraw/zinc/11/29/17/504112917.db2.gz SIKYTTDQIFWWFI-QGZVFWFLSA-N 1 1 374.462 3.166 20 5 FGBDMO COc1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc2c1OCO2 ZINC000534336668 504114670 /nfs/dbraw/zinc/11/46/70/504114670.db2.gz KVWRXALJTLWDOB-UHFFFAOYSA-N 1 1 356.378 3.497 20 5 FGBDMO COc1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc2c1OCO2 ZINC000534336668 504114673 /nfs/dbraw/zinc/11/46/73/504114673.db2.gz KVWRXALJTLWDOB-UHFFFAOYSA-N 1 1 356.378 3.497 20 5 FGBDMO Cc1ccc([C@H]2CC[N@@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C2)cc1 ZINC000541389511 504114686 /nfs/dbraw/zinc/11/46/86/504114686.db2.gz PXUXCWGPCVUOBA-SFHVURJKSA-N 1 1 365.433 3.282 20 5 FGBDMO C[C@@H](C(=O)Nc1c[nH+]ccc1-n1cccn1)c1ccc([N+](=O)[O-])cc1F ZINC000544444779 504137193 /nfs/dbraw/zinc/13/71/93/504137193.db2.gz JAAOJCZBUYZQGV-LLVKDONJSA-N 1 1 355.329 3.057 20 5 FGBDMO CC(C)n1cc([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000541645408 504209560 /nfs/dbraw/zinc/20/95/60/504209560.db2.gz ZTFQAZMAMUOALL-NSHDSACASA-N 1 1 365.821 3.315 20 5 FGBDMO COc1ccccc1[C@H](CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000519578221 504259491 /nfs/dbraw/zinc/25/94/91/504259491.db2.gz HHNUVCFGZWBYDX-KDOFPFPSSA-N 1 1 371.437 3.126 20 5 FGBDMO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000534870808 504266670 /nfs/dbraw/zinc/26/66/70/504266670.db2.gz HYDDQWZGWAGMFB-LBPRGKRZSA-N 1 1 369.343 3.468 20 5 FGBDMO C[C@H](NC[C@]1(O)CC[N@H+](C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000545159134 504379516 /nfs/dbraw/zinc/37/95/16/504379516.db2.gz UZOITLWRWLYFBJ-SCLBCKFNSA-N 1 1 361.467 3.041 20 5 FGBDMO C[C@H](NC[C@]1(O)CC[N@@H+](C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000545159134 504379519 /nfs/dbraw/zinc/37/95/19/504379519.db2.gz UZOITLWRWLYFBJ-SCLBCKFNSA-N 1 1 361.467 3.041 20 5 FGBDMO CCC[N@H+](Cc1ccc(F)cc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000519908660 504380203 /nfs/dbraw/zinc/38/02/03/504380203.db2.gz JHEJZCRXAIMARC-SFHVURJKSA-N 1 1 362.401 3.386 20 5 FGBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2C2CCCCC2)cc1 ZINC000542209985 504407319 /nfs/dbraw/zinc/40/73/19/504407319.db2.gz WBTKKGKDFGGURA-SFHVURJKSA-N 1 1 366.483 3.413 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000542277127 504434975 /nfs/dbraw/zinc/43/49/75/504434975.db2.gz KCWYFYHLDWTCCC-OALUTQOASA-N 1 1 370.449 3.432 20 5 FGBDMO CC(C)(CO)[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000520292819 504457075 /nfs/dbraw/zinc/45/70/75/504457075.db2.gz JBQNKTIZNLWQGR-SFHVURJKSA-N 1 1 354.410 3.321 20 5 FGBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c1 ZINC000520421231 504494148 /nfs/dbraw/zinc/49/41/48/504494148.db2.gz KSXWWUPAJVQOPE-QLFBSQMISA-N 1 1 361.442 3.081 20 5 FGBDMO C[N@H+]1Cc2ccccc2[C@@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000536022146 504610731 /nfs/dbraw/zinc/61/07/31/504610731.db2.gz GHHKJBKKQYQEMQ-SFHVURJKSA-N 1 1 366.421 3.086 20 5 FGBDMO C[N@@H+]1Cc2ccccc2[C@@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000536022146 504610733 /nfs/dbraw/zinc/61/07/33/504610733.db2.gz GHHKJBKKQYQEMQ-SFHVURJKSA-N 1 1 366.421 3.086 20 5 FGBDMO C[C@H](NC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000536023430 504611776 /nfs/dbraw/zinc/61/17/76/504611776.db2.gz PCQPBWUICWPXNT-UGSOOPFHSA-N 1 1 354.410 3.142 20 5 FGBDMO C[C@H](NC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000536023430 504611782 /nfs/dbraw/zinc/61/17/82/504611782.db2.gz PCQPBWUICWPXNT-UGSOOPFHSA-N 1 1 354.410 3.142 20 5 FGBDMO CCOCCC[N@H+]1CC[C@@H](Nc2nc(C)cc(C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000542863512 504639465 /nfs/dbraw/zinc/63/94/65/504639465.db2.gz SLBWZGDGENHDFO-GDBMZVCRSA-N 1 1 350.463 3.156 20 5 FGBDMO Cn1cc(C[N@H+]2CCC[C@H]2C2CCOCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000539670583 504646629 /nfs/dbraw/zinc/64/66/29/504646629.db2.gz XYJSBUQZHMVGTD-IBGZPJMESA-N 1 1 370.453 3.386 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@H]3C3CCOCC3)o2)cc1 ZINC000539728049 504666685 /nfs/dbraw/zinc/66/66/85/504666685.db2.gz JQXFJFIRXRXXCW-INIZCTEOSA-N 1 1 358.398 3.036 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@H]1c1ccccc1 ZINC000536261852 504681955 /nfs/dbraw/zinc/68/19/55/504681955.db2.gz DGOCTAQOHHLHNO-HNAYVOBHSA-N 1 1 364.405 3.251 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2Cc2cccc(F)c2)c1 ZINC000521425972 504734089 /nfs/dbraw/zinc/73/40/89/504734089.db2.gz VGZWCIQYXSCJOT-MJGOQNOKSA-N 1 1 374.412 3.181 20 5 FGBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000553168430 504843161 /nfs/dbraw/zinc/84/31/61/504843161.db2.gz IYAJBROALGGEGJ-RHSMWYFYSA-N 1 1 373.453 3.143 20 5 FGBDMO Cc1ccccc1C[C@@H](C)[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000562585621 504868745 /nfs/dbraw/zinc/86/87/45/504868745.db2.gz SYHPJMZCWFNFSK-SJLPKXTDSA-N 1 1 358.438 3.206 20 5 FGBDMO CC[N@H+]1CC[C@@H](N(C)c2ncc([N+](=O)[O-])c(C)c2Br)C[C@@H]1C ZINC000565391100 504873014 /nfs/dbraw/zinc/87/30/14/504873014.db2.gz UONDFVXEMQJWEM-CMPLNLGQSA-N 1 1 371.279 3.370 20 5 FGBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549708811 504877606 /nfs/dbraw/zinc/87/76/06/504877606.db2.gz CHEHGXDIIGBXKY-RLTXXFFMSA-N 1 1 356.344 3.469 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@H+]2CC(C)(C)[C@@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000550078409 504961785 /nfs/dbraw/zinc/96/17/85/504961785.db2.gz AOHUWKARUYXQOD-GDBMZVCRSA-N 1 1 361.442 3.443 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+][C@H]1CCOC2(CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000556887495 505007287 /nfs/dbraw/zinc/00/72/87/505007287.db2.gz YDEHHXIGYXWYKX-WMZOPIPTSA-N 1 1 370.453 3.499 20 5 FGBDMO C[C@H]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000556903670 505013156 /nfs/dbraw/zinc/01/31/56/505013156.db2.gz FESVSTCVTLLXCI-INIZCTEOSA-N 1 1 355.438 3.397 20 5 FGBDMO C[C@H]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000556903670 505013159 /nfs/dbraw/zinc/01/31/59/505013159.db2.gz FESVSTCVTLLXCI-INIZCTEOSA-N 1 1 355.438 3.397 20 5 FGBDMO CCOC1CC([N@H+](C)Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000553946493 505050099 /nfs/dbraw/zinc/05/00/99/505050099.db2.gz ZLWWXPWRXMLMEN-UHFFFAOYSA-N 1 1 360.357 3.204 20 5 FGBDMO CCOC1CC([N@@H+](C)Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000553946493 505050102 /nfs/dbraw/zinc/05/01/02/505050102.db2.gz ZLWWXPWRXMLMEN-UHFFFAOYSA-N 1 1 360.357 3.204 20 5 FGBDMO 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ZINC000566427534 505173358 /nfs/dbraw/zinc/17/33/58/505173358.db2.gz XDNWFXKDZZZHHJ-CQSZACIVSA-N 1 1 350.369 3.232 20 5 FGBDMO Cn1cc([C@H]2C[N@@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)CC2(C)C)cn1 ZINC000566427534 505173364 /nfs/dbraw/zinc/17/33/64/505173364.db2.gz XDNWFXKDZZZHHJ-CQSZACIVSA-N 1 1 350.369 3.232 20 5 FGBDMO CC(=O)c1cc(N2CC[NH+](CCc3cccs3)CC2)ccc1[N+](=O)[O-] ZINC000561153625 505265454 /nfs/dbraw/zinc/26/54/54/505265454.db2.gz KFIFJIUVXYQWDZ-UHFFFAOYSA-N 1 1 359.451 3.224 20 5 FGBDMO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000554848188 505279776 /nfs/dbraw/zinc/27/97/76/505279776.db2.gz JCWFNMPMRPVOKK-LJQANCHMSA-N 1 1 371.437 3.495 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1c1cccnc1 ZINC000558095786 505307128 /nfs/dbraw/zinc/30/71/28/505307128.db2.gz HECDGEMHTYBGTQ-SFHVURJKSA-N 1 1 354.410 3.464 20 5 FGBDMO CC(C)C[C@@H](CCO)C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000552047918 505381453 /nfs/dbraw/zinc/38/14/53/505381453.db2.gz AGVVYVRWFTYRIS-QAPCUYQASA-N 1 1 360.458 3.052 20 5 FGBDMO C[N@H+](Cc1ccc[nH]1)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000564385397 505402428 /nfs/dbraw/zinc/40/24/28/505402428.db2.gz QLCMRPLIIPPGPR-UHFFFAOYSA-N 1 1 371.178 3.160 20 5 FGBDMO C[N@@H+](Cc1ccc[nH]1)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000564385397 505402430 /nfs/dbraw/zinc/40/24/30/505402430.db2.gz QLCMRPLIIPPGPR-UHFFFAOYSA-N 1 1 371.178 3.160 20 5 FGBDMO C[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000555315100 505405366 /nfs/dbraw/zinc/40/53/66/505405366.db2.gz SFSFIDHPDDBSCN-QOKNQOGYSA-N 1 1 357.454 3.174 20 5 FGBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000558601234 505435325 /nfs/dbraw/zinc/43/53/25/505435325.db2.gz CTCFGJMEPKAZDM-CABCVRRESA-N 1 1 350.463 3.384 20 5 FGBDMO C[C@@H]1CN(c2ccccc2C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCO1 ZINC000567465275 505472866 /nfs/dbraw/zinc/47/28/66/505472866.db2.gz BVPGXMUWUBWHLU-MRXNPFEDSA-N 1 1 367.449 3.378 20 5 FGBDMO 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ZINC000596514322 506441847 /nfs/dbraw/zinc/44/18/47/506441847.db2.gz IMOCQDITTSKYBT-QZTJIDSGSA-N 1 1 368.437 3.198 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000596598871 506483015 /nfs/dbraw/zinc/48/30/15/506483015.db2.gz MYRLJNUHAFWFMR-UHFFFAOYSA-N 1 1 371.441 3.039 20 5 FGBDMO COc1cc(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000599587121 506513296 /nfs/dbraw/zinc/51/32/96/506513296.db2.gz CRLGWPJLQUMALD-ZFWWWQNUSA-N 1 1 364.442 3.403 20 5 FGBDMO COc1cc(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000599587121 506513303 /nfs/dbraw/zinc/51/33/03/506513303.db2.gz CRLGWPJLQUMALD-ZFWWWQNUSA-N 1 1 364.442 3.403 20 5 FGBDMO COC(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]2CCC[C@@H]21 ZINC000599656821 506558929 /nfs/dbraw/zinc/55/89/29/506558929.db2.gz VNGDUXYEXWCOHW-IIAWOOMASA-N 1 1 352.818 3.412 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]2CCC[C@@H]21 ZINC000599656821 506558934 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LXJYYORFQACMEU-GASCZTMLSA-N 1 1 358.442 3.444 20 5 FGBDMO O=[N+]([O-])c1cc(F)ccc1N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000593495803 506653985 /nfs/dbraw/zinc/65/39/85/506653985.db2.gz JGNXVSHILOTLDR-WOJBJXKFSA-N 1 1 371.412 3.214 20 5 FGBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599833865 506666447 /nfs/dbraw/zinc/66/64/47/506666447.db2.gz BHOZLEFBDDFITH-ZDUSSCGKSA-N 1 1 371.441 3.385 20 5 FGBDMO CN(c1ccccc1)c1ccc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)cc1[N+](=O)[O-] ZINC000590053375 506717511 /nfs/dbraw/zinc/71/75/11/506717511.db2.gz UPGGJLIAZGOVGD-PIIMJCKOSA-N 1 1 353.422 3.033 20 5 FGBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000604187244 506742456 /nfs/dbraw/zinc/74/24/56/506742456.db2.gz DHVLISSTMAOVAM-UHFFFAOYSA-N 1 1 351.472 3.385 20 5 FGBDMO CO[C@@]1(CO)CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000597186435 506823794 /nfs/dbraw/zinc/82/37/94/506823794.db2.gz DNQRKQQFSWKHRY-SFHVURJKSA-N 1 1 362.451 3.297 20 5 FGBDMO 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Cc1ccnc([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000594007758 506878952 /nfs/dbraw/zinc/87/89/52/506878952.db2.gz GUSPXPBHRLSRMS-HZPDHXFCSA-N 1 1 368.437 3.423 20 5 FGBDMO C[N@H+]1CCCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000600313894 506900407 /nfs/dbraw/zinc/90/04/07/506900407.db2.gz LDZWHYDZSWGNRA-NSHDSACASA-N 1 1 359.348 3.075 20 5 FGBDMO COc1ccc(CN2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000609541097 506914261 /nfs/dbraw/zinc/91/42/61/506914261.db2.gz AHFLRAVELNSEJQ-MRXNPFEDSA-N 1 1 355.438 3.310 20 5 FGBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000609546210 506918370 /nfs/dbraw/zinc/91/83/70/506918370.db2.gz MVDXAPNKDDPXGW-OAHLLOKOSA-N 1 1 362.474 3.295 20 5 FGBDMO COc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)c(Br)cc1O ZINC000609598645 506938360 /nfs/dbraw/zinc/93/83/60/506938360.db2.gz HYBIACXXPNOEFV-UHFFFAOYSA-N 1 1 367.199 3.361 20 5 FGBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000600471796 506963041 /nfs/dbraw/zinc/96/30/41/506963041.db2.gz UZPPGUDCPXUZNV-CQSZACIVSA-N 1 1 351.834 3.303 20 5 FGBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590802346 506966110 /nfs/dbraw/zinc/96/61/10/506966110.db2.gz GOIZLDVOBHSYSA-UHOSZYNNSA-N 1 1 372.469 3.111 20 5 FGBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000594195286 506999867 /nfs/dbraw/zinc/99/98/67/506999867.db2.gz DPHADWAZXNMVFW-LSDHHAIUSA-N 1 1 371.359 3.360 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000610125911 507108780 /nfs/dbraw/zinc/10/87/80/507108780.db2.gz YMFGXFAYAXMGOH-YJBOKZPZSA-N 1 1 362.474 3.118 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000610282004 507176540 /nfs/dbraw/zinc/17/65/40/507176540.db2.gz WUXGPPMKWNWZAO-CQSZACIVSA-N 1 1 357.439 3.015 20 5 FGBDMO Cc1ccc(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000610296628 507183240 /nfs/dbraw/zinc/18/32/40/507183240.db2.gz IKTZFEOJPGSDLI-SFHVURJKSA-N 1 1 353.422 3.250 20 5 FGBDMO CC(C)(CO)[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccs1 ZINC000584260389 507240066 /nfs/dbraw/zinc/24/00/66/507240066.db2.gz CIUKWCZVHAWRFR-INIZCTEOSA-N 1 1 360.439 3.382 20 5 FGBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000610446092 507243031 /nfs/dbraw/zinc/24/30/31/507243031.db2.gz POKCAZMJSLQOTK-MRXNPFEDSA-N 1 1 353.422 3.331 20 5 FGBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000610445920 507243962 /nfs/dbraw/zinc/24/39/62/507243962.db2.gz KKRVYWPXJUEGCD-INIZCTEOSA-N 1 1 353.422 3.331 20 5 FGBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000610446081 507243989 /nfs/dbraw/zinc/24/39/89/507243989.db2.gz PCPOXALUTKMNIM-AWEZNQCLSA-N 1 1 359.451 3.393 20 5 FGBDMO O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000601179071 507289635 /nfs/dbraw/zinc/28/96/35/507289635.db2.gz KMGPJQHUWCSNGQ-OAHLLOKOSA-N 1 1 357.385 3.128 20 5 FGBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000598196115 507307116 /nfs/dbraw/zinc/30/71/16/507307116.db2.gz ZQWIGOKILWONOM-GOSISDBHSA-N 1 1 367.449 3.292 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1c(Br)cnn1C ZINC000601291255 507324802 /nfs/dbraw/zinc/32/48/02/507324802.db2.gz BMYDJYRAFPSZIW-SNVBAGLBSA-N 1 1 353.220 3.250 20 5 FGBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000598221461 507325119 /nfs/dbraw/zinc/32/51/19/507325119.db2.gz VPGJYHXCMKLHSP-CQSZACIVSA-N 1 1 363.483 3.210 20 5 FGBDMO CCc1ccc([C@H]([NH2+]C[C@H](OC)[C@H]2CCOC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000595060631 507373604 /nfs/dbraw/zinc/37/36/04/507373604.db2.gz NAJHLDSIGRNTQH-RYGJVYDSSA-N 1 1 374.437 3.481 20 5 FGBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000595477144 507519318 /nfs/dbraw/zinc/51/93/18/507519318.db2.gz QXKWPYMEBFYHOA-QGZVFWFLSA-N 1 1 361.486 3.354 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H](C(F)F)C1CCCCC1 ZINC000598647364 507530643 /nfs/dbraw/zinc/53/06/43/507530643.db2.gz AIFNNNFDACWIBJ-CZUORRHYSA-N 1 1 358.385 3.138 20 5 FGBDMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611171053 507545614 /nfs/dbraw/zinc/54/56/14/507545614.db2.gz OHMADPDTJOLCGE-KDOFPFPSSA-N 1 1 356.426 3.308 20 5 FGBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+](C1CC1)C1(CO)CCC1 ZINC000595533767 507546763 /nfs/dbraw/zinc/54/67/63/507546763.db2.gz NRSBQPOJQKJDAV-UHFFFAOYSA-N 1 1 355.232 3.237 20 5 FGBDMO Cc1noc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c1[N+](=O)[O-] ZINC000595543392 507551925 /nfs/dbraw/zinc/55/19/25/507551925.db2.gz YZKODNSQKJKXRE-LBPRGKRZSA-N 1 1 363.336 3.072 20 5 FGBDMO Cc1noc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c1[N+](=O)[O-] ZINC000595543392 507551932 /nfs/dbraw/zinc/55/19/32/507551932.db2.gz YZKODNSQKJKXRE-LBPRGKRZSA-N 1 1 363.336 3.072 20 5 FGBDMO CC(C)c1ccc(CN2CCC[N@@H+](C[C@@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000611254110 507580979 /nfs/dbraw/zinc/58/09/79/507580979.db2.gz YAOKZNDKKYJJKV-SFHVURJKSA-N 1 1 361.486 3.405 20 5 FGBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(c2cccnc2)CC1 ZINC000611258578 507585857 /nfs/dbraw/zinc/58/58/57/507585857.db2.gz ZOVSPTMKYVNUKD-AWEZNQCLSA-N 1 1 354.410 3.196 20 5 FGBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000585707246 507599942 /nfs/dbraw/zinc/59/99/42/507599942.db2.gz YNHSBGKORCRKCN-LLVKDONJSA-N 1 1 360.241 3.060 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)[C@H]2CCCC[C@@H]12 ZINC000595730999 507651596 /nfs/dbraw/zinc/65/15/96/507651596.db2.gz FNZCMKUMPRZCJH-BBWFWOEESA-N 1 1 362.426 3.157 20 5 FGBDMO O=C(NCc1ccccc1)[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000592523141 507693285 /nfs/dbraw/zinc/69/32/85/507693285.db2.gz KAXRTIXTMQCGQP-ZAOIQFLMSA-N 1 1 365.433 3.246 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@@H]3CCN(c4ccccc4)C3)C2)nc1 ZINC000602472101 507718640 /nfs/dbraw/zinc/71/86/40/507718640.db2.gz GQAQNTAJEOVFPU-IRXDYDNUSA-N 1 1 367.453 3.003 20 5 FGBDMO O=[N+]([O-])c1sc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1Br ZINC000602515759 507735232 /nfs/dbraw/zinc/73/52/32/507735232.db2.gz DFLZTBZKSUECKW-ZJUUUORDSA-N 1 1 360.277 3.135 20 5 FGBDMO Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2C)c(N2CCCC2)[nH+]1 ZINC000611572235 507746395 /nfs/dbraw/zinc/74/63/95/507746395.db2.gz OZWVVNIOEXHRHV-UHFFFAOYSA-N 1 1 354.410 3.137 20 5 FGBDMO CC(C)N(C(=O)c1cc([N+](=O)[O-])cn1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000592694603 507766800 /nfs/dbraw/zinc/76/68/00/507766800.db2.gz ISRMANXQMFUQAR-KRWDZBQOSA-N 1 1 370.453 3.058 20 5 FGBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821222745 606158050 /nfs/dbraw/zinc/15/80/50/606158050.db2.gz YFZGRZZFHZFBMG-GFCCVEGCSA-N 1 1 370.388 3.497 20 5 FGBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821222745 606158052 /nfs/dbraw/zinc/15/80/52/606158052.db2.gz YFZGRZZFHZFBMG-GFCCVEGCSA-N 1 1 370.388 3.497 20 5 FGBDMO C[N@H+](CCc1ccc(Cl)cc1)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000113246645 700569768 /nfs/dbraw/zinc/56/97/68/700569768.db2.gz OPJOPNQMSPYJME-UHFFFAOYSA-N 1 1 361.785 3.288 20 5 FGBDMO C[N@@H+](CCc1ccc(Cl)cc1)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000113246645 700569771 /nfs/dbraw/zinc/56/97/71/700569771.db2.gz OPJOPNQMSPYJME-UHFFFAOYSA-N 1 1 361.785 3.288 20 5 FGBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@@H]1CCCCNC1=O ZINC000123845705 700710778 /nfs/dbraw/zinc/71/07/78/700710778.db2.gz MSQIIEDENVVAMP-MRXNPFEDSA-N 1 1 359.451 3.424 20 5 FGBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000177697785 705636030 /nfs/dbraw/zinc/63/60/30/705636030.db2.gz FVOSBWVZCRINPS-OLZOCXBDSA-N 1 1 352.822 3.339 20 5 FGBDMO C[C@H](C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245203233 713603907 /nfs/dbraw/zinc/60/39/07/713603907.db2.gz MXUXOTNRPQCFRU-FRRDWIJNSA-N 1 1 353.850 3.468 20 5 FGBDMO CCOc1cc(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)ccc1[N+](=O)[O-] ZINC000577401831 714464918 /nfs/dbraw/zinc/46/49/18/714464918.db2.gz PVWVSOLGNIJZFU-CQSZACIVSA-N 1 1 350.806 3.290 20 5 FGBDMO CCOc1cc(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)ccc1[N+](=O)[O-] ZINC000577401831 714464919 /nfs/dbraw/zinc/46/49/19/714464919.db2.gz PVWVSOLGNIJZFU-CQSZACIVSA-N 1 1 350.806 3.290 20 5 FGBDMO COCC[N@@H+](C)CCCNc1ccc(C)c(Br)c1[N+](=O)[O-] ZINC000804350696 724506820 /nfs/dbraw/zinc/50/68/20/724506820.db2.gz RQLSRYYXQZGFTL-UHFFFAOYSA-N 1 1 360.252 3.046 20 5 FGBDMO Cc1cnc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c([N+](=O)[O-])c1 ZINC001164626471 719056277 /nfs/dbraw/zinc/05/62/77/719056277.db2.gz RLWZWLWZOYQPMZ-PKOBYXMFSA-N 1 1 352.438 3.399 20 5 FGBDMO C[N@H+]1CCCC12CCN(c1cc(Br)ccc1[N+](=O)[O-])CC2 ZINC000782357431 724657930 /nfs/dbraw/zinc/65/79/30/724657930.db2.gz MQNFGVJHXOPCQB-UHFFFAOYSA-N 1 1 354.248 3.422 20 5 FGBDMO CCc1nc(C[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cs1 ZINC000782480032 724673967 /nfs/dbraw/zinc/67/39/67/724673967.db2.gz DWEGTVXAYXHODC-UHFFFAOYSA-N 1 1 366.418 3.213 20 5 FGBDMO CCc1nc(C[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cs1 ZINC000782480032 724673969 /nfs/dbraw/zinc/67/39/69/724673969.db2.gz DWEGTVXAYXHODC-UHFFFAOYSA-N 1 1 366.418 3.213 20 5 FGBDMO Cn1cc([C@@H](O)C[C@@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])c(Cl)c2)cn1 ZINC000783579996 724767798 /nfs/dbraw/zinc/76/77/98/724767798.db2.gz MDCDCCYRIDVDFH-YOEHRIQHSA-N 1 1 364.833 3.070 20 5 FGBDMO CC[N@@H+](C)C[C@@H]1CCN(c2ccc(C)c(Br)c2[N+](=O)[O-])C1 ZINC000787899417 725040362 /nfs/dbraw/zinc/04/03/62/725040362.db2.gz WVDMNSSVCHCRJJ-LBPRGKRZSA-N 1 1 356.264 3.444 20 5 FGBDMO O=[N+]([O-])c1cc2cnn(C[NH+]3CCC([C@@H]4CCCO4)CC3)c2c(Cl)c1 ZINC000783968413 724808654 /nfs/dbraw/zinc/80/86/54/724808654.db2.gz NCWRHQPVGFNKOT-INIZCTEOSA-N 1 1 364.833 3.446 20 5 FGBDMO Cc1cnc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c([N+](=O)[O-])c1 ZINC001164954890 722012550 /nfs/dbraw/zinc/01/25/50/722012550.db2.gz QJNOTJAASUCAOO-UHFFFAOYSA-N 1 1 367.453 3.186 20 5 FGBDMO O=C(C[N@@H+]1CCC[C@@]2(CCCOC2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000747845888 722663150 /nfs/dbraw/zinc/66/31/50/722663150.db2.gz ISQVIZKSBUETJN-QGZVFWFLSA-N 1 1 367.833 3.079 20 5 FGBDMO O=C(C[N@H+]1CCC[C@@]2(CCCOC2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000747845888 722663151 /nfs/dbraw/zinc/66/31/51/722663151.db2.gz ISQVIZKSBUETJN-QGZVFWFLSA-N 1 1 367.833 3.079 20 5 FGBDMO O=[N+]([O-])c1ccc(Br)c2c1C[N@H+](CC1(O)CCCC1)CC2 ZINC000792899254 723378827 /nfs/dbraw/zinc/37/88/27/723378827.db2.gz QNOKVJSFAWXZLZ-UHFFFAOYSA-N 1 1 355.232 3.021 20 5 FGBDMO O=[N+]([O-])c1ccc(Br)c2c1C[N@@H+](CC1(O)CCCC1)CC2 ZINC000792899254 723378830 /nfs/dbraw/zinc/37/88/30/723378830.db2.gz QNOKVJSFAWXZLZ-UHFFFAOYSA-N 1 1 355.232 3.021 20 5 FGBDMO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000764798894 723447424 /nfs/dbraw/zinc/44/74/24/723447424.db2.gz XGIOBCRLQIVHHP-OAHLLOKOSA-N 1 1 366.849 3.064 20 5 FGBDMO O=[N+]([O-])c1ccc(Br)c2c1C[N@H+](CC[C@@H]1CCOC1)CC2 ZINC000793611949 723454809 /nfs/dbraw/zinc/45/48/09/723454809.db2.gz INFKRYJPRVXODT-LLVKDONJSA-N 1 1 355.232 3.142 20 5 FGBDMO O=[N+]([O-])c1ccc(Br)c2c1C[N@@H+](CC[C@@H]1CCOC1)CC2 ZINC000793611949 723454811 /nfs/dbraw/zinc/45/48/11/723454811.db2.gz INFKRYJPRVXODT-LLVKDONJSA-N 1 1 355.232 3.142 20 5 FGBDMO O=[N+]([O-])c1ccc(Br)cc1N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000765482597 723516478 /nfs/dbraw/zinc/51/64/78/723516478.db2.gz OKTBNLNNLWMHHD-UHFFFAOYSA-N 1 1 351.204 3.464 20 5 FGBDMO CCS[C@@H]1CC[C@H]([N@H+](C)Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794636942 723537265 /nfs/dbraw/zinc/53/72/65/723537265.db2.gz MMWISEBYKXLAMI-NWDGAFQWSA-N 1 1 351.428 3.066 20 5 FGBDMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794636942 723537268 /nfs/dbraw/zinc/53/72/68/723537268.db2.gz MMWISEBYKXLAMI-NWDGAFQWSA-N 1 1 351.428 3.066 20 5 FGBDMO COCC[N@@H+](C)CCCC1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000766427249 723573551 /nfs/dbraw/zinc/57/35/51/723573551.db2.gz FFHSELDKHOHPCV-UHFFFAOYSA-N 1 1 353.438 3.309 20 5 FGBDMO CC[C@H](C)C[N@@H+](C)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795423268 723590102 /nfs/dbraw/zinc/59/01/02/723590102.db2.gz LNHQULKBPASLQS-JTQLQIEISA-N 1 1 370.247 3.249 20 5 FGBDMO Cc1[nH+]ccn1CCCOC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000767646394 723626663 /nfs/dbraw/zinc/62/66/63/723626663.db2.gz NKEYLTHTXNDGCS-UHFFFAOYSA-N 1 1 357.288 3.366 20 5 FGBDMO CO[C@]1(C)CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000796507126 723640845 /nfs/dbraw/zinc/64/08/45/723640845.db2.gz CVMOHPMJROLYSV-MRXNPFEDSA-N 1 1 355.822 3.078 20 5 FGBDMO CO[C@]1(C)CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000796507126 723640846 /nfs/dbraw/zinc/64/08/46/723640846.db2.gz CVMOHPMJROLYSV-MRXNPFEDSA-N 1 1 355.822 3.078 20 5 FGBDMO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1nc(C(F)(F)F)cs1 ZINC000768217273 723650750 /nfs/dbraw/zinc/65/07/50/723650750.db2.gz LMGHUIURWYNVAZ-GZMMTYOYSA-N 1 1 361.345 3.454 20 5 FGBDMO Cc1nccn1CCC[N@H+](C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774638180 723913282 /nfs/dbraw/zinc/91/32/82/723913282.db2.gz DZJSMSWMNIBNQZ-UHFFFAOYSA-N 1 1 362.821 3.082 20 5 FGBDMO C[N@@H+](CCOc1ccccc1Cl)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776273874 724127025 /nfs/dbraw/zinc/12/70/25/724127025.db2.gz DRIRTGCOMGZKLA-MRXNPFEDSA-N 1 1 350.802 3.292 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778219340 724312373 /nfs/dbraw/zinc/31/23/73/724312373.db2.gz BSKPWKTYXMCIOA-ZDUSSCGKSA-N 1 1 355.385 3.067 20 5 FGBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778276533 724317860 /nfs/dbraw/zinc/31/78/60/724317860.db2.gz SVXKQBIQQANVBC-CQSZACIVSA-N 1 1 355.385 3.067 20 5 FGBDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000785986779 724953537 /nfs/dbraw/zinc/95/35/37/724953537.db2.gz DGAOLCFVMOZNLT-GYSYKLTISA-N 1 1 357.248 3.339 20 5 FGBDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000785986779 724953538 /nfs/dbraw/zinc/95/35/38/724953538.db2.gz DGAOLCFVMOZNLT-GYSYKLTISA-N 1 1 357.248 3.339 20 5 FGBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809911330 725275501 /nfs/dbraw/zinc/27/55/01/725275501.db2.gz LREUXNLIPGGCCV-RYUDHWBXSA-N 1 1 354.838 3.490 20 5 FGBDMO NC(=O)c1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1 ZINC000811471929 725367906 /nfs/dbraw/zinc/36/79/06/725367906.db2.gz NKSBDHOOPIXOSS-UHFFFAOYSA-N 1 1 354.193 3.290 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c1 ZINC000811504093 725370175 /nfs/dbraw/zinc/37/01/75/725370175.db2.gz QMYUVFYRGJHCRN-DZGCQCFKSA-N 1 1 373.236 3.397 20 5 FGBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c1 ZINC000811504093 725370179 /nfs/dbraw/zinc/37/01/79/725370179.db2.gz QMYUVFYRGJHCRN-DZGCQCFKSA-N 1 1 373.236 3.397 20 5 FGBDMO O=[N+]([O-])c1ccc(Cl)cc1CNc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000812778685 726809619 /nfs/dbraw/zinc/80/96/19/726809619.db2.gz NCMUPMNFGIBQOT-KRWDZBQOSA-N 1 1 361.829 3.427 20 5 FGBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC[C@@H]21 ZINC000813486920 726884597 /nfs/dbraw/zinc/88/45/97/726884597.db2.gz CWSFJBBOJLWHGX-YGRLFVJLSA-N 1 1 372.252 3.458 20 5 FGBDMO Cc1cc(Cl)c(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000832870482 729735580 /nfs/dbraw/zinc/73/55/80/729735580.db2.gz LEONNBPGPQHBOL-QGZVFWFLSA-N 1 1 351.834 3.115 20 5 FGBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000843781909 730654191 /nfs/dbraw/zinc/65/41/91/730654191.db2.gz LJDOGERVEYPNAI-AWEZNQCLSA-N 1 1 351.422 3.427 20 5 FGBDMO CCOc1cncc(C[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000883288229 737547532 /nfs/dbraw/zinc/54/75/32/737547532.db2.gz WRSAXLCUCRFUET-UHFFFAOYSA-N 1 1 366.215 3.441 20 5 FGBDMO Cc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1Cl ZINC000847255698 731040791 /nfs/dbraw/zinc/04/07/91/731040791.db2.gz UVRVRMWFNSDTRB-GJZGRUSLSA-N 1 1 351.834 3.303 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@](O)(C3CC3)C2)ccc1Br ZINC000852501786 731594031 /nfs/dbraw/zinc/59/40/31/731594031.db2.gz UZFSOCYKMODFLX-HNNXBMFYSA-N 1 1 355.232 3.094 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@](O)(C3CC3)C2)ccc1Br ZINC000852501786 731594034 /nfs/dbraw/zinc/59/40/34/731594034.db2.gz UZFSOCYKMODFLX-HNNXBMFYSA-N 1 1 355.232 3.094 20 5 FGBDMO COCCCN1CCC([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000872030302 735579154 /nfs/dbraw/zinc/57/91/54/735579154.db2.gz CLKWYUSIWUDCEU-CQSZACIVSA-N 1 1 367.515 3.468 20 5 FGBDMO Cc1nccnc1[C@@H](C)[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000873189628 735735051 /nfs/dbraw/zinc/73/50/51/735735051.db2.gz RVSLLPDLXSIKHU-SNVBAGLBSA-N 1 1 351.204 3.307 20 5 FGBDMO COC(=O)c1nc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)ccc1Cl ZINC000877624497 736695948 /nfs/dbraw/zinc/69/59/48/736695948.db2.gz DMVGZECIVRILIY-UHFFFAOYSA-N 1 1 363.801 3.336 20 5 FGBDMO C[N@H+]1CC[C@@H]2CN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC[C@@H]21 ZINC000877744288 736713365 /nfs/dbraw/zinc/71/33/65/736713365.db2.gz RDACVFNAIQUMRC-PBHICJAKSA-N 1 1 358.467 3.244 20 5 FGBDMO CC(C)[C@H](O)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000878755947 736915244 /nfs/dbraw/zinc/91/52/44/736915244.db2.gz MZPFRMLDWORGIQ-ZHALLVOQSA-N 1 1 350.459 3.107 20 5 FGBDMO O=[N+]([O-])c1cccc(C[N@@H+](C2CC2)[C@H]2CCC3(C[C@H]2F)OCCO3)c1 ZINC000891622623 739921777 /nfs/dbraw/zinc/92/17/77/739921777.db2.gz HVLHFHFDLBZLEW-SJORKVTESA-N 1 1 350.390 3.193 20 5 FGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000895837564 742460235 /nfs/dbraw/zinc/46/02/35/742460235.db2.gz NBWRTIMNROWQKE-LBPRGKRZSA-N 1 1 372.265 3.360 20 5 FGBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000895837564 742460237 /nfs/dbraw/zinc/46/02/37/742460237.db2.gz NBWRTIMNROWQKE-LBPRGKRZSA-N 1 1 372.265 3.360 20 5 FGBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895847260 742462708 /nfs/dbraw/zinc/46/27/08/742462708.db2.gz UABXOJVKHDDYSD-XHDPSFHLSA-N 1 1 355.232 3.358 20 5 FGBDMO C[C@@H]1C[C@H](N(C)C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C ZINC000906794647 744160339 /nfs/dbraw/zinc/16/03/39/744160339.db2.gz VLGUHMCFPJGGFV-TZMCWYRMSA-N 1 1 353.850 3.122 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000923273433 759094306 /nfs/dbraw/zinc/09/43/06/759094306.db2.gz GPNGYBQZWLXHRB-HIFRSBDPSA-N 1 1 363.483 3.406 20 5 FGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCC[C@@H]1CCCC[N@H+]1C ZINC000924159773 759283403 /nfs/dbraw/zinc/28/34/03/759283403.db2.gz RANXGSOKYAXOCA-KGLIPLIRSA-N 1 1 352.456 3.493 20 5 FGBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000934546896 761652380 /nfs/dbraw/zinc/65/23/80/761652380.db2.gz JUKSIJLLEPJNSB-ZDUSSCGKSA-N 1 1 351.472 3.024 20 5 FGBDMO C[C@@H]1CCC[N@@H+](Cc2csc(=NC(=O)c3csc([N+](=O)[O-])c3)[nH]2)C1 ZINC000044401216 257340282 /nfs/dbraw/zinc/34/02/82/257340282.db2.gz MIHCBKZSHKMOOX-SNVBAGLBSA-N 1 1 366.468 3.019 20 5 FGBDMO C[C@@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000573812100 505627129 /nfs/dbraw/zinc/62/71/29/505627129.db2.gz ORIYURSHDVSTOK-MRXNPFEDSA-N 1 1 368.437 3.011 20 5 FGBDMO C[C@@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000573812100 505627133 /nfs/dbraw/zinc/62/71/33/505627133.db2.gz ORIYURSHDVSTOK-MRXNPFEDSA-N 1 1 368.437 3.011 20 5 FGBDMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000048297235 493813138 /nfs/dbraw/zinc/81/31/38/493813138.db2.gz ANBPOEUBIYFHOB-INIZCTEOSA-N 1 1 364.405 3.080 20 5 FGBDMO Cc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000076144674 493831466 /nfs/dbraw/zinc/83/14/66/493831466.db2.gz OFDFIXMUHPRWMJ-ZDUSSCGKSA-N 1 1 359.451 3.141 20 5 FGBDMO Cc1ccc(C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000076144674 493831472 /nfs/dbraw/zinc/83/14/72/493831472.db2.gz OFDFIXMUHPRWMJ-ZDUSSCGKSA-N 1 1 359.451 3.141 20 5 FGBDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000076388801 493882538 /nfs/dbraw/zinc/88/25/38/493882538.db2.gz DWBOZCBVNXCZTG-CQSZACIVSA-N 1 1 359.451 3.393 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000076388801 493882542 /nfs/dbraw/zinc/88/25/42/493882542.db2.gz DWBOZCBVNXCZTG-CQSZACIVSA-N 1 1 359.451 3.393 20 5 FGBDMO Cc1c(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000076494740 493905639 /nfs/dbraw/zinc/90/56/39/493905639.db2.gz IHMLSYBOLCPGMC-OAHLLOKOSA-N 1 1 353.422 3.250 20 5 FGBDMO Cc1c(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000076494740 493905644 /nfs/dbraw/zinc/90/56/44/493905644.db2.gz IHMLSYBOLCPGMC-OAHLLOKOSA-N 1 1 353.422 3.250 20 5 FGBDMO Cc1c(C[NH+]2CCC(n3c4ccccc4[nH]c3=O)CC2)cccc1[N+](=O)[O-] ZINC000051286112 493959145 /nfs/dbraw/zinc/95/91/45/493959145.db2.gz JVASMHCNIMEZNX-UHFFFAOYSA-N 1 1 366.421 3.383 20 5 FGBDMO O=C(C[N@@H+](C1CC1)C1CCCCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000052664670 494052500 /nfs/dbraw/zinc/05/25/00/494052500.db2.gz WOMUFDFGWNCHBV-UHFFFAOYSA-N 1 1 361.398 3.059 20 5 FGBDMO CC(C)C[N@H+]1CCCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000077363544 494067535 /nfs/dbraw/zinc/06/75/35/494067535.db2.gz VCAKRSMCBVWNMG-HNNXBMFYSA-N 1 1 373.457 3.370 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000008241806 494078311 /nfs/dbraw/zinc/07/83/11/494078311.db2.gz YVJKCTLNOQOFDU-JTQLQIEISA-N 1 1 365.336 3.171 20 5 FGBDMO O=C(C[N@@H+]1CCC[C@@H]1c1cccc(F)c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000053718467 494160772 /nfs/dbraw/zinc/16/07/72/494160772.db2.gz ONPFBDCWDGSQLF-GOSISDBHSA-N 1 1 369.396 3.460 20 5 FGBDMO O=C(C[N@H+]1CCC[C@@H]1c1cccc(F)c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000053718467 494160777 /nfs/dbraw/zinc/16/07/77/494160777.db2.gz ONPFBDCWDGSQLF-GOSISDBHSA-N 1 1 369.396 3.460 20 5 FGBDMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000064995372 494164639 /nfs/dbraw/zinc/16/46/39/494164639.db2.gz GFNQMXIRMANPMJ-LSDHHAIUSA-N 1 1 363.458 3.120 20 5 FGBDMO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000042184068 494207602 /nfs/dbraw/zinc/20/76/02/494207602.db2.gz QXWYMXAWNKMTNX-STQMWFEESA-N 1 1 373.409 3.290 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(OCC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000054326233 494221856 /nfs/dbraw/zinc/22/18/56/494221856.db2.gz GSDASQLTNVBMBC-OAHLLOKOSA-N 1 1 363.458 3.367 20 5 FGBDMO CC(C)COC1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000054327600 494222415 /nfs/dbraw/zinc/22/24/15/494222415.db2.gz UPKYMALSAXEDFL-UHFFFAOYSA-N 1 1 360.414 3.282 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3OC(F)F)C2)nc1 ZINC000072664907 494229200 /nfs/dbraw/zinc/22/92/00/494229200.db2.gz WQPPGZATEPVEGX-CYBMUJFWSA-N 1 1 364.352 3.278 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3OC(F)F)C2)nc1 ZINC000072664907 494229204 /nfs/dbraw/zinc/22/92/04/494229204.db2.gz WQPPGZATEPVEGX-CYBMUJFWSA-N 1 1 364.352 3.278 20 5 FGBDMO Cc1c(NC(=O)CCN(C)CC[C@@H]2CCCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000072725294 494241508 /nfs/dbraw/zinc/24/15/08/494241508.db2.gz ZAKWUGZHEDQMNU-INIZCTEOSA-N 1 1 362.474 3.038 20 5 FGBDMO Cc1c(NC(=O)CCN(C)CC[C@@H]2CCCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000072725294 494241512 /nfs/dbraw/zinc/24/15/12/494241512.db2.gz ZAKWUGZHEDQMNU-INIZCTEOSA-N 1 1 362.474 3.038 20 5 FGBDMO Cc1ccc(C(C)(C)C[N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000072759444 494245979 /nfs/dbraw/zinc/24/59/79/494245979.db2.gz GYEMPWWHWKUJGL-UHFFFAOYSA-N 1 1 355.438 3.412 20 5 FGBDMO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000054925815 494286197 /nfs/dbraw/zinc/28/61/97/494286197.db2.gz VDSPAGSZRLLVGT-UHFFFAOYSA-N 1 1 372.400 3.474 20 5 FGBDMO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000054925815 494286202 /nfs/dbraw/zinc/28/62/02/494286202.db2.gz VDSPAGSZRLLVGT-UHFFFAOYSA-N 1 1 372.400 3.474 20 5 FGBDMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000014929388 494329722 /nfs/dbraw/zinc/32/97/22/494329722.db2.gz WMPDTZOXWSQAND-LBPRGKRZSA-N 1 1 361.373 3.202 20 5 FGBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000014929388 494329726 /nfs/dbraw/zinc/32/97/26/494329726.db2.gz WMPDTZOXWSQAND-LBPRGKRZSA-N 1 1 361.373 3.202 20 5 FGBDMO CC(C)(CNC(=O)c1csc([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000044487260 494359979 /nfs/dbraw/zinc/35/99/79/494359979.db2.gz JHBYUEJPWXALAH-UHFFFAOYSA-N 1 1 359.451 3.223 20 5 FGBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000045126188 494399594 /nfs/dbraw/zinc/39/95/94/494399594.db2.gz LIZYRYPBMCYFED-UHFFFAOYSA-N 1 1 370.453 3.258 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000089922077 494402161 /nfs/dbraw/zinc/40/21/61/494402161.db2.gz HQTRIGGZLVFWDJ-UHFFFAOYSA-N 1 1 356.426 3.040 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000089922077 494402165 /nfs/dbraw/zinc/40/21/65/494402165.db2.gz HQTRIGGZLVFWDJ-UHFFFAOYSA-N 1 1 356.426 3.040 20 5 FGBDMO CCc1ccc(CN(C)C(=O)C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000580289858 505724439 /nfs/dbraw/zinc/72/44/39/505724439.db2.gz GMTFAXGDRYKSGD-UHFFFAOYSA-N 1 1 369.465 3.290 20 5 FGBDMO CCc1ccc(CN(C)C(=O)C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000580289858 505724443 /nfs/dbraw/zinc/72/44/43/505724443.db2.gz GMTFAXGDRYKSGD-UHFFFAOYSA-N 1 1 369.465 3.290 20 5 FGBDMO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCc2cccs2)CC1 ZINC000056515177 494518287 /nfs/dbraw/zinc/51/82/87/494518287.db2.gz RCKQTVWPXLITCF-UHFFFAOYSA-N 1 1 360.439 3.049 20 5 FGBDMO C[N@@H+](CCc1ccc(F)cc1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067377971 494526860 /nfs/dbraw/zinc/52/68/60/494526860.db2.gz SPQMJGOXCKUVDH-GOSISDBHSA-N 1 1 357.385 3.014 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000067766284 494641018 /nfs/dbraw/zinc/64/10/18/494641018.db2.gz ZPAUVXIGWKWYQP-UHFFFAOYSA-N 1 1 369.421 3.454 20 5 FGBDMO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000057174176 494667541 /nfs/dbraw/zinc/66/75/41/494667541.db2.gz OHCKETFNDSCPSJ-SFHVURJKSA-N 1 1 353.422 3.123 20 5 FGBDMO CCC[C@H]([NH2+]C[C@H](C)CN1CCN(CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000121260618 494671317 /nfs/dbraw/zinc/67/13/17/494671317.db2.gz WRBFWKWDSVBQIG-PXNSSMCTSA-N 1 1 362.518 3.299 20 5 FGBDMO Cc1noc([C@@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)n1 ZINC000091833425 494696681 /nfs/dbraw/zinc/69/66/81/494696681.db2.gz XANORIDANJPOOK-LLVKDONJSA-N 1 1 368.340 3.267 20 5 FGBDMO Cc1noc([C@@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)n1 ZINC000091833425 494696686 /nfs/dbraw/zinc/69/66/86/494696686.db2.gz XANORIDANJPOOK-LLVKDONJSA-N 1 1 368.340 3.267 20 5 FGBDMO Cc1ccccc1[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000126293202 494699535 /nfs/dbraw/zinc/69/95/35/494699535.db2.gz ZGAPJEUYTNXNNW-IBGZPJMESA-N 1 1 369.421 3.305 20 5 FGBDMO Cc1ccccc1[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000126293202 494699544 /nfs/dbraw/zinc/69/95/44/494699544.db2.gz ZGAPJEUYTNXNNW-IBGZPJMESA-N 1 1 369.421 3.305 20 5 FGBDMO CNC(=O)CCC[N@@H+](C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000131820024 494742573 /nfs/dbraw/zinc/74/25/73/494742573.db2.gz YUWHHCVRSBDOJF-UHFFFAOYSA-N 1 1 370.453 3.321 20 5 FGBDMO CC(C)(CNC(=O)c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000025460696 494745094 /nfs/dbraw/zinc/74/50/94/494745094.db2.gz KSQNBBIQYMACJD-UHFFFAOYSA-N 1 1 353.422 3.162 20 5 FGBDMO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H](O)COCc1ccccc1 ZINC000116280378 494750551 /nfs/dbraw/zinc/75/05/51/494750551.db2.gz PEHNBPSVPBVCFN-QGZVFWFLSA-N 1 1 364.829 3.258 20 5 FGBDMO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H](O)COCc1ccccc1 ZINC000116280378 494750558 /nfs/dbraw/zinc/75/05/58/494750558.db2.gz PEHNBPSVPBVCFN-QGZVFWFLSA-N 1 1 364.829 3.258 20 5 FGBDMO C[N@@H+](Cc1ccccc1Cl)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026215475 494810746 /nfs/dbraw/zinc/81/07/46/494810746.db2.gz DKFCWPUALUFZGC-OAHLLOKOSA-N 1 1 350.802 3.120 20 5 FGBDMO C[N@H+](Cc1ccccc1Cl)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026215475 494810750 /nfs/dbraw/zinc/81/07/50/494810750.db2.gz DKFCWPUALUFZGC-OAHLLOKOSA-N 1 1 350.802 3.120 20 5 FGBDMO Cc1c(NC(=O)CC[N@H+](C)Cc2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] ZINC000026257849 494814395 /nfs/dbraw/zinc/81/43/95/494814395.db2.gz CKGJNQNANZWGRB-UHFFFAOYSA-N 1 1 371.393 3.093 20 5 FGBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000121678322 494836220 /nfs/dbraw/zinc/83/62/20/494836220.db2.gz WRXUZQKRFFKEMW-MRXNPFEDSA-N 1 1 374.485 3.389 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1ccccc1)[C@@H](C)CCO ZINC000093304520 494865397 /nfs/dbraw/zinc/86/53/97/494865397.db2.gz JROXWVSANGJPRV-INIZCTEOSA-N 1 1 371.437 3.115 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1ccccc1)[C@@H](C)CCO ZINC000093304520 494865399 /nfs/dbraw/zinc/86/53/99/494865399.db2.gz JROXWVSANGJPRV-INIZCTEOSA-N 1 1 371.437 3.115 20 5 FGBDMO CCOC[C@@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000093418891 494890794 /nfs/dbraw/zinc/89/07/94/494890794.db2.gz DZLTYSMNKYUPDS-OAHLLOKOSA-N 1 1 358.442 3.244 20 5 FGBDMO CCn1c(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc2ccccc21 ZINC000093534889 494898436 /nfs/dbraw/zinc/89/84/36/494898436.db2.gz VBVQGKDZXVMRBB-CQSZACIVSA-N 1 1 366.425 3.046 20 5 FGBDMO CCn1c(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc2ccccc21 ZINC000093534889 494898440 /nfs/dbraw/zinc/89/84/40/494898440.db2.gz VBVQGKDZXVMRBB-CQSZACIVSA-N 1 1 366.425 3.046 20 5 FGBDMO COc1cc(C)c(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1OC ZINC000093534540 494898634 /nfs/dbraw/zinc/89/86/34/494898634.db2.gz OVLVHMMISRLPOI-HNNXBMFYSA-N 1 1 372.425 3.002 20 5 FGBDMO CC(C)Cc1ncc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000093534924 494899100 /nfs/dbraw/zinc/89/91/00/494899100.db2.gz LDIPKINFZARRCL-ZDUSSCGKSA-N 1 1 361.471 3.331 20 5 FGBDMO CCC[N@@H+](C)C[C@@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000093741923 494916342 /nfs/dbraw/zinc/91/63/42/494916342.db2.gz IFEVTBPBRKRROD-INIZCTEOSA-N 1 1 371.485 3.159 20 5 FGBDMO Cn1cc(C[N@@H+](C)CCc2nccs2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093843730 494927529 /nfs/dbraw/zinc/92/75/29/494927529.db2.gz NSBGEVAHPVOOQZ-UHFFFAOYSA-N 1 1 357.439 3.126 20 5 FGBDMO Cc1[nH+]ccn1CCCCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000122132398 494929183 /nfs/dbraw/zinc/92/91/83/494929183.db2.gz AQGIERODGFHUCO-UHFFFAOYSA-N 1 1 371.441 3.254 20 5 FGBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000117772360 494954389 /nfs/dbraw/zinc/95/43/89/494954389.db2.gz VSGGKBLVRXDGKK-ZDUSSCGKSA-N 1 1 353.850 3.027 20 5 FGBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117804854 494957094 /nfs/dbraw/zinc/95/70/94/494957094.db2.gz NRLWHZNHKXXWNI-AWEZNQCLSA-N 1 1 353.850 3.171 20 5 FGBDMO C[C@@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000110352838 494972825 /nfs/dbraw/zinc/97/28/25/494972825.db2.gz QHXOFEUQGHNBCJ-ZDUSSCGKSA-N 1 1 361.829 3.499 20 5 FGBDMO C[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[N@@H+](C)Cc1ccccc1 ZINC000110594910 494993542 /nfs/dbraw/zinc/99/35/42/494993542.db2.gz ZWEUQRBHXCESGG-AWEZNQCLSA-N 1 1 368.437 3.412 20 5 FGBDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000133290327 494995987 /nfs/dbraw/zinc/99/59/87/494995987.db2.gz ZXYZHTNGKVJASG-UHFFFAOYSA-N 1 1 351.422 3.318 20 5 FGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000118997024 495066919 /nfs/dbraw/zinc/06/69/19/495066919.db2.gz HWNFCIQCSWQANK-LBPRGKRZSA-N 1 1 361.833 3.166 20 5 FGBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000118997024 495066921 /nfs/dbraw/zinc/06/69/21/495066921.db2.gz HWNFCIQCSWQANK-LBPRGKRZSA-N 1 1 361.833 3.166 20 5 FGBDMO COCC[N@@H+](C)CC[C@H](Nc1ccc([N+](=O)[O-])c(C)n1)c1ccccc1 ZINC000134199067 495120880 /nfs/dbraw/zinc/12/08/80/495120880.db2.gz RLJIKOUMCRHNSB-KRWDZBQOSA-N 1 1 358.442 3.420 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000123368935 495122149 /nfs/dbraw/zinc/12/21/49/495122149.db2.gz JCULWNSDIOVYLA-MRXNPFEDSA-N 1 1 369.421 3.422 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000123368935 495122151 /nfs/dbraw/zinc/12/21/51/495122151.db2.gz JCULWNSDIOVYLA-MRXNPFEDSA-N 1 1 369.421 3.422 20 5 FGBDMO COc1ccc(NC(=O)CC[N@@H+](C)Cc2ccc(C)s2)c([N+](=O)[O-])c1 ZINC000102774609 495160893 /nfs/dbraw/zinc/16/08/93/495160893.db2.gz HQPUBUXPUMMGBF-UHFFFAOYSA-N 1 1 363.439 3.434 20 5 FGBDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000123619340 495161950 /nfs/dbraw/zinc/16/19/50/495161950.db2.gz CLDDJARVUUBRNI-UHFFFAOYSA-N 1 1 363.458 3.188 20 5 FGBDMO Cc1cccc(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000103133118 495196710 /nfs/dbraw/zinc/19/67/10/495196710.db2.gz CMHXYXWFAJPJDS-SFHVURJKSA-N 1 1 367.449 3.198 20 5 FGBDMO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1C ZINC000103145306 495199406 /nfs/dbraw/zinc/19/94/06/495199406.db2.gz TYMOLTVPNZYCIE-CQSZACIVSA-N 1 1 357.410 3.371 20 5 FGBDMO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1C ZINC000103145306 495199409 /nfs/dbraw/zinc/19/94/09/495199409.db2.gz TYMOLTVPNZYCIE-CQSZACIVSA-N 1 1 357.410 3.371 20 5 FGBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000119889867 495263190 /nfs/dbraw/zinc/26/31/90/495263190.db2.gz GTMPNXTXCWNZKT-CQSZACIVSA-N 1 1 351.472 3.167 20 5 FGBDMO Cc1c(CC(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000129889711 495310356 /nfs/dbraw/zinc/31/03/56/495310356.db2.gz VMEBOCYSQLMALG-HNAYVOBHSA-N 1 1 367.449 3.225 20 5 FGBDMO O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000130353289 495378223 /nfs/dbraw/zinc/37/82/23/495378223.db2.gz IJOXTUYEVHPSPZ-INIZCTEOSA-N 1 1 357.454 3.134 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H]1CCc2ccccc2C1 ZINC000114490330 495385028 /nfs/dbraw/zinc/38/50/28/495385028.db2.gz ZEGGOTOEJNYGLX-INIZCTEOSA-N 1 1 369.421 3.031 20 5 FGBDMO C[C@H](C[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1nccs1 ZINC000130398279 495386352 /nfs/dbraw/zinc/38/63/52/495386352.db2.gz RRUCASGXGBPRQC-LLVKDONJSA-N 1 1 366.418 3.255 20 5 FGBDMO Cc1cnc([C@H]([NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C2CC2)s1 ZINC000185350215 495542923 /nfs/dbraw/zinc/54/29/23/495542923.db2.gz KWBUIJKOLFLEPB-JKSUJKDBSA-N 1 1 372.450 3.206 20 5 FGBDMO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2C)CC[N@@H+]1Cc1ccccc1 ZINC000185351980 495544033 /nfs/dbraw/zinc/54/40/33/495544033.db2.gz QOWVYVDLCJHVEZ-QGZVFWFLSA-N 1 1 368.437 3.035 20 5 FGBDMO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2C)CC[N@H+]1Cc1ccccc1 ZINC000185351980 495544038 /nfs/dbraw/zinc/54/40/38/495544038.db2.gz QOWVYVDLCJHVEZ-QGZVFWFLSA-N 1 1 368.437 3.035 20 5 FGBDMO C[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000158821607 495595136 /nfs/dbraw/zinc/59/51/36/495595136.db2.gz BMANBUJGIBAPQE-CQSZACIVSA-N 1 1 368.437 3.232 20 5 FGBDMO C[C@H]1C[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000176527105 495684478 /nfs/dbraw/zinc/68/44/78/495684478.db2.gz UODKTTKNGRATKY-MAUKXSAKSA-N 1 1 368.437 3.057 20 5 FGBDMO CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000151104877 495738970 /nfs/dbraw/zinc/73/89/70/495738970.db2.gz VVIWWCBOOMVXFS-CQSZACIVSA-N 1 1 357.410 3.453 20 5 FGBDMO CN(C(=O)C[N@@H+]1CCC[C@H](Nc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000154866800 495755070 /nfs/dbraw/zinc/75/50/70/495755070.db2.gz PAFMNSABWOQMME-KRWDZBQOSA-N 1 1 368.437 3.134 20 5 FGBDMO CN(C(=O)C[N@H+]1CCC[C@H](Nc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000154866800 495755074 /nfs/dbraw/zinc/75/50/74/495755074.db2.gz PAFMNSABWOQMME-KRWDZBQOSA-N 1 1 368.437 3.134 20 5 FGBDMO CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174247823 495881117 /nfs/dbraw/zinc/88/11/17/495881117.db2.gz RFWAONNHFLXIME-CABCVRRESA-N 1 1 363.458 3.131 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000577878145 505810546 /nfs/dbraw/zinc/81/05/46/505810546.db2.gz OAVVTBXIRJUSDB-QWFCFKBJSA-N 1 1 370.453 3.213 20 5 FGBDMO O=c1cc(C[N@H+]2CCC[C@@H](n3cncn3)C2)c2c(ccc3ccccc32)o1 ZINC000171528935 495915865 /nfs/dbraw/zinc/91/58/65/495915865.db2.gz VMXXGVNDLFHSAS-QGZVFWFLSA-N 1 1 360.417 3.375 20 5 FGBDMO C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000177192595 495969385 /nfs/dbraw/zinc/96/93/85/495969385.db2.gz IZKQWKIEKKZCFQ-CRAIPNDOSA-N 1 1 368.437 3.057 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c2c(c1)COCO2 ZINC000186441906 495999657 /nfs/dbraw/zinc/99/96/57/495999657.db2.gz DNKVEQPNPVNHAA-HXUWFJFHSA-N 1 1 368.389 3.093 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)c2c(c1)COCO2 ZINC000186441906 495999664 /nfs/dbraw/zinc/99/96/64/495999664.db2.gz DNKVEQPNPVNHAA-HXUWFJFHSA-N 1 1 368.389 3.093 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@@H+](C)C2CCC(F)(F)CC2)c([N+](=O)[O-])c1 ZINC000574625855 505818903 /nfs/dbraw/zinc/81/89/03/505818903.db2.gz AUQFKZUVMDFKMD-UHFFFAOYSA-N 1 1 371.384 3.442 20 5 FGBDMO COC(=O)[C@@H](C)[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccccc1 ZINC000152063549 496036435 /nfs/dbraw/zinc/03/64/35/496036435.db2.gz BVOLIZMOMGLPIB-UGSOOPFHSA-N 1 1 358.394 3.243 20 5 FGBDMO COC(=O)[C@H](C)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccccc1 ZINC000152063768 496036515 /nfs/dbraw/zinc/03/65/15/496036515.db2.gz BVOLIZMOMGLPIB-FZKQIMNGSA-N 1 1 358.394 3.243 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000177531159 496100092 /nfs/dbraw/zinc/10/00/92/496100092.db2.gz GHENQSIRDPZVEM-WMLDXEAASA-N 1 1 369.421 3.420 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000177531159 496100095 /nfs/dbraw/zinc/10/00/95/496100095.db2.gz GHENQSIRDPZVEM-WMLDXEAASA-N 1 1 369.421 3.420 20 5 FGBDMO C[C@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[N@@H+](C)Cc1ccccc1 ZINC000183888149 496148411 /nfs/dbraw/zinc/14/84/11/496148411.db2.gz PRPDVOBVTXBABB-CABCVRRESA-N 1 1 373.428 3.474 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000161309970 496149187 /nfs/dbraw/zinc/14/91/87/496149187.db2.gz IBGMNDRAPBPDRN-CQSZACIVSA-N 1 1 360.458 3.259 20 5 FGBDMO C[N@@H+]1CC[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000180879601 496183174 /nfs/dbraw/zinc/18/31/74/496183174.db2.gz HCLWJBKLWKEOFW-YOEHRIQHSA-N 1 1 374.828 3.006 20 5 FGBDMO C[N@H+]1CC[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000180879601 496183177 /nfs/dbraw/zinc/18/31/77/496183177.db2.gz HCLWJBKLWKEOFW-YOEHRIQHSA-N 1 1 374.828 3.006 20 5 FGBDMO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180894339 496189259 /nfs/dbraw/zinc/18/92/59/496189259.db2.gz SHGIFTCPVAUREW-KSSFIOAISA-N 1 1 362.451 3.097 20 5 FGBDMO C[N@@H+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H](c2ccccc2)C1 ZINC000161616408 496209137 /nfs/dbraw/zinc/20/91/37/496209137.db2.gz ULGZSMKHQKBBNZ-IBGZPJMESA-N 1 1 364.405 3.205 20 5 FGBDMO C[N@H+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H](c2ccccc2)C1 ZINC000161616408 496209146 /nfs/dbraw/zinc/20/91/46/496209146.db2.gz ULGZSMKHQKBBNZ-IBGZPJMESA-N 1 1 364.405 3.205 20 5 FGBDMO CCCCNC(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OCC)CC1 ZINC000175024897 496214185 /nfs/dbraw/zinc/21/41/85/496214185.db2.gz RDQWNENTTORAPJ-UHFFFAOYSA-N 1 1 363.458 3.122 20 5 FGBDMO CCOC(=O)CC[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000161921347 496262795 /nfs/dbraw/zinc/26/27/95/496262795.db2.gz NUUHOJPUPFSCOA-OAHLLOKOSA-N 1 1 350.415 3.029 20 5 FGBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000177993308 496279950 /nfs/dbraw/zinc/27/99/50/496279950.db2.gz WXEPVLRGSJIOLU-AZUAARDMSA-N 1 1 369.421 3.040 20 5 FGBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000177993308 496279954 /nfs/dbraw/zinc/27/99/54/496279954.db2.gz WXEPVLRGSJIOLU-AZUAARDMSA-N 1 1 369.421 3.040 20 5 FGBDMO CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000184198437 496282294 /nfs/dbraw/zinc/28/22/94/496282294.db2.gz XZGXVWDJJXKYRE-IGCXYCKISA-N 1 1 351.422 3.026 20 5 FGBDMO C[C@H](CCNC(=O)NCc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000175243547 496304910 /nfs/dbraw/zinc/30/49/10/496304910.db2.gz WDUMPNAJARPVGT-MRXNPFEDSA-N 1 1 370.453 3.305 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000181209757 496312877 /nfs/dbraw/zinc/31/28/77/496312877.db2.gz MIQDNYRWFHOFFW-HNNXBMFYSA-N 1 1 374.485 3.294 20 5 FGBDMO CCOc1ccccc1NC(=O)CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153006131 496323832 /nfs/dbraw/zinc/32/38/32/496323832.db2.gz GXWKNQXARVNLJK-UHFFFAOYSA-N 1 1 369.421 3.380 20 5 FGBDMO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1cc([N+](=O)[O-])ccc1Cl)CC2 ZINC000172589021 496355213 /nfs/dbraw/zinc/35/52/13/496355213.db2.gz DBUWJUAZSJQWBB-JKSUJKDBSA-N 1 1 354.834 3.000 20 5 FGBDMO Cc1noc([C@@H]2CCC[N@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)n1 ZINC000153132307 496362956 /nfs/dbraw/zinc/36/29/56/496362956.db2.gz FICNTBWQZQFEMJ-CQSZACIVSA-N 1 1 369.381 3.321 20 5 FGBDMO Cc1noc([C@@H]2CCC[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)n1 ZINC000153132307 496362962 /nfs/dbraw/zinc/36/29/62/496362962.db2.gz FICNTBWQZQFEMJ-CQSZACIVSA-N 1 1 369.381 3.321 20 5 FGBDMO COc1cc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1O ZINC000156922493 496364295 /nfs/dbraw/zinc/36/42/95/496364295.db2.gz ZKUIMGYGRUSOIF-CYBMUJFWSA-N 1 1 373.409 3.076 20 5 FGBDMO COc1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1O ZINC000156922493 496364299 /nfs/dbraw/zinc/36/42/99/496364299.db2.gz ZKUIMGYGRUSOIF-CYBMUJFWSA-N 1 1 373.409 3.076 20 5 FGBDMO C[C@H](CCNC(=O)NCc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000175394482 496371251 /nfs/dbraw/zinc/37/12/51/496371251.db2.gz SXDDDQAOHHNDSZ-MRXNPFEDSA-N 1 1 370.453 3.305 20 5 FGBDMO COc1cccc([C@@H](C)[NH+]2CCN(c3nc(C)ccc3[N+](=O)[O-])CC2)c1 ZINC000178211557 496371326 /nfs/dbraw/zinc/37/13/26/496371326.db2.gz ZKUFTYITJVUTSN-OAHLLOKOSA-N 1 1 356.426 3.190 20 5 FGBDMO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000175407491 496377491 /nfs/dbraw/zinc/37/74/91/496377491.db2.gz PDCDICYVOUMRRI-HWRSSNJWSA-N 1 1 362.451 3.404 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000153269616 496403650 /nfs/dbraw/zinc/40/36/50/496403650.db2.gz JXXYWVMXTIBENJ-CYBMUJFWSA-N 1 1 363.483 3.454 20 5 FGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000157162486 496418891 /nfs/dbraw/zinc/41/88/91/496418891.db2.gz AFJVKPOGWDGVNL-KEYYUXOJSA-N 1 1 363.483 3.018 20 5 FGBDMO O=[N+]([O-])c1cccc(C[N@H+](C[C@H](O)COCc2cccs2)C2CC2)c1 ZINC000153333475 496422595 /nfs/dbraw/zinc/42/25/95/496422595.db2.gz WWWCXAZTGWREPW-KRWDZBQOSA-N 1 1 362.451 3.198 20 5 FGBDMO Cc1csc([C@@H]([NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000181614715 496469988 /nfs/dbraw/zinc/46/99/88/496469988.db2.gz JIKVYPUUHWZHTO-ABAIWWIYSA-N 1 1 360.439 3.428 20 5 FGBDMO C[C@@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181658371 496490554 /nfs/dbraw/zinc/49/05/54/496490554.db2.gz URLFMFZVKJLQOO-CVEARBPZSA-N 1 1 374.485 3.166 20 5 FGBDMO Cc1c(CC(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)cccc1[N+](=O)[O-] ZINC000178582994 496507068 /nfs/dbraw/zinc/50/70/68/496507068.db2.gz FEIBTKAHCRBILL-CYBMUJFWSA-N 1 1 373.478 3.070 20 5 FGBDMO Cc1c(CC(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)cccc1[N+](=O)[O-] ZINC000178582994 496507071 /nfs/dbraw/zinc/50/70/71/496507071.db2.gz FEIBTKAHCRBILL-CYBMUJFWSA-N 1 1 373.478 3.070 20 5 FGBDMO COc1ccc(C[N@@H+](CCO)C2CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000153631938 496524958 /nfs/dbraw/zinc/52/49/58/496524958.db2.gz WMLFGABORCLLBW-UHFFFAOYSA-N 1 1 372.421 3.139 20 5 FGBDMO COc1cc(C[N@H+](CCO)C2CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000153631327 496525034 /nfs/dbraw/zinc/52/50/34/496525034.db2.gz HGUAXDYJGAELSO-UHFFFAOYSA-N 1 1 372.421 3.139 20 5 FGBDMO COc1cc(C[N@@H+](CCO)C2CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000153631327 496525040 /nfs/dbraw/zinc/52/50/40/496525040.db2.gz HGUAXDYJGAELSO-UHFFFAOYSA-N 1 1 372.421 3.139 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])C1CC1 ZINC000187669340 496528346 /nfs/dbraw/zinc/52/83/46/496528346.db2.gz DNIFWQSTHOPKRV-KRWDZBQOSA-N 1 1 369.425 3.022 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000163645253 496541960 /nfs/dbraw/zinc/54/19/60/496541960.db2.gz LWFDLTOHHGFLJQ-ZDUSSCGKSA-N 1 1 353.850 3.346 20 5 FGBDMO Cc1ccc(N2CCC(NC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)[nH+]c1 ZINC000173183443 496584450 /nfs/dbraw/zinc/58/44/50/496584450.db2.gz POFNUTOVMDTCOA-UHFFFAOYSA-N 1 1 355.398 3.089 20 5 FGBDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181978593 496621902 /nfs/dbraw/zinc/62/19/02/496621902.db2.gz DJLXMORJYKVEQK-NJAFHUGGSA-N 1 1 356.422 3.213 20 5 FGBDMO Cc1ccc(C[N@@H+](CCO)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000181985798 496624520 /nfs/dbraw/zinc/62/45/20/496624520.db2.gz LWFNFRCBMQYQNW-UHFFFAOYSA-N 1 1 371.437 3.035 20 5 FGBDMO CCc1ccc(C(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)cc1[N+](=O)[O-] ZINC000580865664 505855641 /nfs/dbraw/zinc/85/56/41/505855641.db2.gz XRGIDJSIOONLKI-UHFFFAOYSA-N 1 1 368.437 3.391 20 5 FGBDMO Cn1cc(-c2cc(C[N@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)on2)cn1 ZINC000185027948 496627944 /nfs/dbraw/zinc/62/79/44/496627944.db2.gz MKVCMJIVAGCZFE-UHFFFAOYSA-N 1 1 353.382 3.148 20 5 FGBDMO Cn1cc(-c2cc(C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)on2)cn1 ZINC000185027948 496627947 /nfs/dbraw/zinc/62/79/47/496627947.db2.gz MKVCMJIVAGCZFE-UHFFFAOYSA-N 1 1 353.382 3.148 20 5 FGBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000182065944 496656112 /nfs/dbraw/zinc/65/61/12/496656112.db2.gz KCRQLZBAXAKWBH-PKOBYXMFSA-N 1 1 368.433 3.486 20 5 FGBDMO C[S@@](=O)C[C@@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000182095977 496668422 /nfs/dbraw/zinc/66/84/22/496668422.db2.gz VLBKMWIEXHPZCG-IQMFZBJNSA-N 1 1 352.843 3.458 20 5 FGBDMO CCC[N@H+]1CC[C@H](CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000158354492 496682555 /nfs/dbraw/zinc/68/25/55/496682555.db2.gz LFUKIHOGHKTYFC-OAHLLOKOSA-N 1 1 360.458 3.001 20 5 FGBDMO Cc1cccc([C@H]2CCC[N@H+]2C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000182219809 496711946 /nfs/dbraw/zinc/71/19/46/496711946.db2.gz GDIJJMZISUQULM-ZWKOTPCHSA-N 1 1 356.422 3.480 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@@H](c4nccs4)C3)n2)cc1 ZINC000195340054 496895767 /nfs/dbraw/zinc/89/57/67/496895767.db2.gz ZWEHGUUXHLFXLO-CYBMUJFWSA-N 1 1 371.422 3.481 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@H](c4nccs4)C3)n2)cc1 ZINC000195340054 496895770 /nfs/dbraw/zinc/89/57/70/496895770.db2.gz ZWEHGUUXHLFXLO-CYBMUJFWSA-N 1 1 371.422 3.481 20 5 FGBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000247655920 496901229 /nfs/dbraw/zinc/90/12/29/496901229.db2.gz XAQCSWUFOPDGCM-IGOJGBNBSA-N 1 1 367.449 3.481 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000247975494 496935410 /nfs/dbraw/zinc/93/54/10/496935410.db2.gz GIEAHFUPFNOJEX-CRAIPNDOSA-N 1 1 370.409 3.170 20 5 FGBDMO C[C@@H]1C[N@H+](Cc2ccccc2CNc2ncc([N+](=O)[O-])s2)C[C@H](C)O1 ZINC000195509211 496946360 /nfs/dbraw/zinc/94/63/60/496946360.db2.gz HWLXYAOQNYZCLH-BETUJISGSA-N 1 1 362.455 3.273 20 5 FGBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000269598475 496975685 /nfs/dbraw/zinc/97/56/85/496975685.db2.gz LTOAYOQAWXCQGU-UHFFFAOYSA-N 1 1 370.331 3.281 20 5 FGBDMO Cc1nc(C)c([C@H](C)[N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000248456782 497017803 /nfs/dbraw/zinc/01/78/03/497017803.db2.gz LWBRQYOOHRVMEH-GXTWGEPZSA-N 1 1 365.455 3.101 20 5 FGBDMO C[C@@H](C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000248583473 497047537 /nfs/dbraw/zinc/04/75/37/497047537.db2.gz PFUPBDPKHFDKMN-HUUCEWRRSA-N 1 1 365.449 3.466 20 5 FGBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000248613665 497057686 /nfs/dbraw/zinc/05/76/86/497057686.db2.gz YIMGAGPRXVXSLU-CABCVRRESA-N 1 1 365.449 3.322 20 5 FGBDMO CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000236832900 497153065 /nfs/dbraw/zinc/15/30/65/497153065.db2.gz WWIOJZACDIIMOF-MRXNPFEDSA-N 1 1 367.409 3.024 20 5 FGBDMO COc1cc(C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)cc([N+](=O)[O-])c1C ZINC000189625651 497187015 /nfs/dbraw/zinc/18/70/15/497187015.db2.gz YWENCOFTMZKNRP-OAHLLOKOSA-N 1 1 363.458 3.010 20 5 FGBDMO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)CCC2 ZINC000192880774 497236400 /nfs/dbraw/zinc/23/64/00/497236400.db2.gz MPRDQOHPHNGLIP-FOIQADDNSA-N 1 1 359.470 3.063 20 5 FGBDMO O=[N+]([O-])c1ccc2c(c1N1CCC(c3[nH+]cc4n3CCCC4)CC1)CCN2 ZINC000278850087 497242416 /nfs/dbraw/zinc/24/24/16/497242416.db2.gz LUFFHKUHXAGSRG-UHFFFAOYSA-N 1 1 367.453 3.480 20 5 FGBDMO CCC[C@H](NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000271432622 497347696 /nfs/dbraw/zinc/34/76/96/497347696.db2.gz BFALIAKWHSUMJE-ZCNNSNEGSA-N 1 1 361.486 3.403 20 5 FGBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@H](O)COCc1ccccc1 ZINC000255765400 497374650 /nfs/dbraw/zinc/37/46/50/497374650.db2.gz AAAGVJCAPIQAQY-ABMFHFBKSA-N 1 1 356.422 3.118 20 5 FGBDMO Cc1[nH+]ccn1CCCCNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000266580720 497375641 /nfs/dbraw/zinc/37/56/41/497375641.db2.gz XDDAPEHQLDFLOI-UHFFFAOYSA-N 1 1 373.457 3.202 20 5 FGBDMO O=C1C[C@]2(CC[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C2)CN1 ZINC000279333537 497409668 /nfs/dbraw/zinc/40/96/68/497409668.db2.gz DJAITUJKNQTQQF-GOSISDBHSA-N 1 1 357.435 3.035 20 5 FGBDMO C[C@@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](C2CC2)O1 ZINC000279424272 497436141 /nfs/dbraw/zinc/43/61/41/497436141.db2.gz XGCGWEZJMYKGLX-FZKQIMNGSA-N 1 1 357.410 3.292 20 5 FGBDMO COc1cc(C[N@@H+](C)C[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1OC(F)F ZINC000245539822 497445832 /nfs/dbraw/zinc/44/58/32/497445832.db2.gz HYHUULCWZNQWJU-SMDDNHRTSA-N 1 1 374.384 3.188 20 5 FGBDMO COc1cccc2c1CC[N@@H+]([C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000193720743 497457901 /nfs/dbraw/zinc/45/79/01/497457901.db2.gz UANCWISWLNIXBE-CQSZACIVSA-N 1 1 369.421 3.031 20 5 FGBDMO COc1cccc2c1CC[N@H+]([C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000193720743 497457906 /nfs/dbraw/zinc/45/79/06/497457906.db2.gz UANCWISWLNIXBE-CQSZACIVSA-N 1 1 369.421 3.031 20 5 FGBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000245613688 497474199 /nfs/dbraw/zinc/47/41/99/497474199.db2.gz CHKDJHULDOZKPS-ZNMIVQPWSA-N 1 1 372.469 3.101 20 5 FGBDMO CCCCN(C)C(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267056122 497476802 /nfs/dbraw/zinc/47/68/02/497476802.db2.gz RVQYDXZLYCWOCY-UHFFFAOYSA-N 1 1 351.422 3.204 20 5 FGBDMO C[C@H](Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000245731408 497519649 /nfs/dbraw/zinc/51/96/49/497519649.db2.gz ITLHOLFHXHCONB-LIRRHRJNSA-N 1 1 368.437 3.218 20 5 FGBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000267455246 497557527 /nfs/dbraw/zinc/55/75/27/497557527.db2.gz QDJJNBWWNZJMFA-UZLBHIALSA-N 1 1 367.449 3.164 20 5 FGBDMO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000572212069 505915177 /nfs/dbraw/zinc/91/51/77/505915177.db2.gz RSZKUZQVIVDRSV-AWEZNQCLSA-N 1 1 351.450 3.140 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000272329297 497598379 /nfs/dbraw/zinc/59/83/79/497598379.db2.gz MSZFMZYIEZPGDX-WQVCFCJDSA-N 1 1 374.441 3.435 20 5 FGBDMO C[C@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[N@H+]1CCC[C@H](C)C1 ZINC000246470784 497744759 /nfs/dbraw/zinc/74/47/59/497744759.db2.gz AOPLFGFTBMVDFA-JKSUJKDBSA-N 1 1 374.485 3.389 20 5 FGBDMO Cc1ccc(C[N@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000575165073 505934984 /nfs/dbraw/zinc/93/49/84/505934984.db2.gz VERSAGFGFBCSOQ-FQEVSTJZSA-N 1 1 358.413 3.469 20 5 FGBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000578430850 505937872 /nfs/dbraw/zinc/93/78/72/505937872.db2.gz SOBYKJHMAOWXES-FQEVSTJZSA-N 1 1 354.454 3.476 20 5 FGBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)c1 ZINC000364341508 497910152 /nfs/dbraw/zinc/91/01/52/497910152.db2.gz JVSHSSQWVKYPAE-VQTJNVASSA-N 1 1 354.406 3.150 20 5 FGBDMO COc1ccc(C)cc1NC(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292185620 497914154 /nfs/dbraw/zinc/91/41/54/497914154.db2.gz QXSRCBNLJDSJFJ-UHFFFAOYSA-N 1 1 357.410 3.375 20 5 FGBDMO CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000284959991 497954376 /nfs/dbraw/zinc/95/43/76/497954376.db2.gz XGDMAASNHCCYBG-KRWDZBQOSA-N 1 1 372.425 3.131 20 5 FGBDMO C[C@@H]1C[N@H+](CC2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000301202952 497997770 /nfs/dbraw/zinc/99/77/70/497997770.db2.gz XKDAFPQUJIWSTE-OKILXGFUSA-N 1 1 351.422 3.060 20 5 FGBDMO CSc1cccc(C(=O)N2CCC[N@@H+](CC(C)C)CC2)c1[N+](=O)[O-] ZINC000364529183 498004093 /nfs/dbraw/zinc/00/40/93/498004093.db2.gz QYIPEMUTJYDEMQ-UHFFFAOYSA-N 1 1 351.472 3.121 20 5 FGBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000281072494 498010649 /nfs/dbraw/zinc/01/06/49/498010649.db2.gz ZZTHIJQKDIOVPB-WMLDXEAASA-N 1 1 368.437 3.069 20 5 FGBDMO CCOc1ccccc1NC(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285257427 498035534 /nfs/dbraw/zinc/03/55/34/498035534.db2.gz HQXVPONJKDNGJM-UHFFFAOYSA-N 1 1 357.410 3.107 20 5 FGBDMO CCOc1ccccc1NC(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285257427 498035542 /nfs/dbraw/zinc/03/55/42/498035542.db2.gz HQXVPONJKDNGJM-UHFFFAOYSA-N 1 1 357.410 3.107 20 5 FGBDMO CNC(=O)c1ccc(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000301306546 498048855 /nfs/dbraw/zinc/04/88/55/498048855.db2.gz VCJZOSLZTQTDIU-KRWDZBQOSA-N 1 1 368.437 3.031 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC=C(c3cccnc3)C2)c2c(c1)COCO2 ZINC000289246828 498076375 /nfs/dbraw/zinc/07/63/75/498076375.db2.gz CCGOZMZEXHFKOJ-UHFFFAOYSA-N 1 1 353.378 3.146 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC=C(c3cccnc3)C2)c2c(c1)COCO2 ZINC000289246828 498076382 /nfs/dbraw/zinc/07/63/82/498076382.db2.gz CCGOZMZEXHFKOJ-UHFFFAOYSA-N 1 1 353.378 3.146 20 5 FGBDMO C[C@H]1C[C@@H](NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000281302172 498097173 /nfs/dbraw/zinc/09/71/73/498097173.db2.gz RMDPGISZGVEGMY-DZGCQCFKSA-N 1 1 366.421 3.012 20 5 FGBDMO CCN1CC[NH+](Cc2ccccc2CNc2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000301428424 498105896 /nfs/dbraw/zinc/10/58/96/498105896.db2.gz HTXXFAYHYDABGX-UHFFFAOYSA-N 1 1 369.469 3.048 20 5 FGBDMO CC[C@H](C)[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC(=O)OC ZINC000281327999 498107792 /nfs/dbraw/zinc/10/77/92/498107792.db2.gz LSPSEUNADLANCX-ZDUSSCGKSA-N 1 1 361.398 3.066 20 5 FGBDMO CC[C@H](C)[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC(=O)OC ZINC000281327999 498107798 /nfs/dbraw/zinc/10/77/98/498107798.db2.gz LSPSEUNADLANCX-ZDUSSCGKSA-N 1 1 361.398 3.066 20 5 FGBDMO Cc1cnc(N2CCC[N@@H+](CCCc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000301462197 498121008 /nfs/dbraw/zinc/12/10/08/498121008.db2.gz VBKSSXMPZSPIBY-UHFFFAOYSA-N 1 1 354.454 3.443 20 5 FGBDMO COc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3C)CC2)cc(OC)c1 ZINC000301482543 498129771 /nfs/dbraw/zinc/12/97/71/498129771.db2.gz TWFZCGXIDIPWSH-UHFFFAOYSA-N 1 1 371.437 3.243 20 5 FGBDMO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccco1 ZINC000292748034 498131764 /nfs/dbraw/zinc/13/17/64/498131764.db2.gz VJXPRCGLQSIVDN-ZDUSSCGKSA-N 1 1 371.315 3.239 20 5 FGBDMO CCOC1CC2(C1)CC[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC000285595666 498141457 /nfs/dbraw/zinc/14/14/57/498141457.db2.gz WHRUKTIAQJEBCB-UHFFFAOYSA-N 1 1 367.833 3.078 20 5 FGBDMO CCOC1CC2(C1)CC[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC000285595666 498141460 /nfs/dbraw/zinc/14/14/60/498141460.db2.gz WHRUKTIAQJEBCB-UHFFFAOYSA-N 1 1 367.833 3.078 20 5 FGBDMO CCc1cc(N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301526485 498148294 /nfs/dbraw/zinc/14/82/94/498148294.db2.gz HZNZDVXUUIETKT-KSSFIOAISA-N 1 1 369.469 3.391 20 5 FGBDMO CCN1CC[NH+](Cc2ccccc2CNc2ncc([N+](=O)[O-])cc2C)CC1 ZINC000301530662 498151452 /nfs/dbraw/zinc/15/14/52/498151452.db2.gz PGYRFRSWYMAFHV-UHFFFAOYSA-N 1 1 369.469 3.048 20 5 FGBDMO Cc1[nH+]ccn1CCCCNc1ncc([N+](=O)[O-])cc1Br ZINC000301554337 498161337 /nfs/dbraw/zinc/16/13/37/498161337.db2.gz RSNUZFDABSALHI-UHFFFAOYSA-N 1 1 354.208 3.150 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000364874282 498186252 /nfs/dbraw/zinc/18/62/52/498186252.db2.gz AIWJSEYIJIROIR-UXLLHSPISA-N 1 1 358.442 3.160 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)c(F)c1 ZINC000578673943 505994359 /nfs/dbraw/zinc/99/43/59/505994359.db2.gz QPBIMNAICJHULO-IBGZPJMESA-N 1 1 362.376 3.300 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)c(F)c1 ZINC000578673943 505994363 /nfs/dbraw/zinc/99/43/63/505994363.db2.gz QPBIMNAICJHULO-IBGZPJMESA-N 1 1 362.376 3.300 20 5 FGBDMO Cc1ncc(C[N@H+]2CC[C@@H](Nc3cc(C)c([N+](=O)[O-])cn3)[C@@H](C)C2)s1 ZINC000364922089 498210705 /nfs/dbraw/zinc/21/07/05/498210705.db2.gz FNZNIRACICIBRU-SWLSCSKDSA-N 1 1 361.471 3.386 20 5 FGBDMO CC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCOC(C)(C)C1 ZINC000289772963 498286673 /nfs/dbraw/zinc/28/66/73/498286673.db2.gz LKFZOUGNTPPTSO-OAHLLOKOSA-N 1 1 360.414 3.424 20 5 FGBDMO CC(=O)c1cc(N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000581539907 506011026 /nfs/dbraw/zinc/01/10/26/506011026.db2.gz BJLJIGINBMHUPC-HDICACEKSA-N 1 1 365.433 3.366 20 5 FGBDMO COc1cc(NCC2([NH+]3CCOCC3)CCCCC2)c(F)cc1[N+](=O)[O-] ZINC000301917479 498326631 /nfs/dbraw/zinc/32/66/31/498326631.db2.gz DUFPICWNGPDBQO-UHFFFAOYSA-N 1 1 367.421 3.190 20 5 FGBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H](n3cnc4ccccc43)C2)c1 ZINC000361189382 498358409 /nfs/dbraw/zinc/35/84/09/498358409.db2.gz HTOBQGLNBGGQBU-YLJYHZDGSA-N 1 1 366.421 3.315 20 5 FGBDMO CC(C)c1[nH+]ccn1C[C@H]1CCCN1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000365342590 498414249 /nfs/dbraw/zinc/41/42/49/498414249.db2.gz IPAPMDCNYSNMBB-MRXNPFEDSA-N 1 1 371.441 3.289 20 5 FGBDMO C[N@H+]1CCC[C@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000361828854 498435867 /nfs/dbraw/zinc/43/58/67/498435867.db2.gz IVNVQTHFEUWHNQ-DYVFJYSZSA-N 1 1 374.466 3.250 20 5 FGBDMO C[C@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000293645771 498440703 /nfs/dbraw/zinc/44/07/03/498440703.db2.gz HUBCCBKRLCHCPE-GFCCVEGCSA-N 1 1 351.834 3.195 20 5 FGBDMO C[C@H]1CCC[N@H+]1C1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000365542809 498523638 /nfs/dbraw/zinc/52/36/38/498523638.db2.gz BIZJYWDDJIIDJT-NSHDSACASA-N 1 1 358.364 3.462 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(OC2CCOCC2)CC1 ZINC000362849329 498565466 /nfs/dbraw/zinc/56/54/66/498565466.db2.gz BKYABQCSUKXLGL-UHFFFAOYSA-N 1 1 364.442 3.154 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000581745615 506058530 /nfs/dbraw/zinc/05/85/30/506058530.db2.gz JTWUOCSLAONGMO-QGZVFWFLSA-N 1 1 370.409 3.124 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000581745615 506058534 /nfs/dbraw/zinc/05/85/34/506058534.db2.gz JTWUOCSLAONGMO-QGZVFWFLSA-N 1 1 370.409 3.124 20 5 FGBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ncc(-c4ccc(F)cc4)o3)CC2)n1 ZINC000365820000 498654797 /nfs/dbraw/zinc/65/47/97/498654797.db2.gz LCNISTTVBBXPCS-UHFFFAOYSA-N 1 1 371.372 3.423 20 5 FGBDMO C[N@H+](Cc1ccc(Cl)cc1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000303388955 498670705 /nfs/dbraw/zinc/67/07/05/498670705.db2.gz NBERIWOKHCAMFD-KRWDZBQOSA-N 1 1 359.813 3.486 20 5 FGBDMO C[N@@H+](Cc1ccc(Cl)cc1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000303388955 498670709 /nfs/dbraw/zinc/67/07/09/498670709.db2.gz NBERIWOKHCAMFD-KRWDZBQOSA-N 1 1 359.813 3.486 20 5 FGBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)Cc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000303730307 498709952 /nfs/dbraw/zinc/70/99/52/498709952.db2.gz DPAAPYQMIFCJFF-HNNXBMFYSA-N 1 1 371.437 3.413 20 5 FGBDMO CC(C)c1[nH+]ccn1C[C@H]1CCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000363228934 498715860 /nfs/dbraw/zinc/71/58/60/498715860.db2.gz YJZBNGHYVXWIQZ-MRXNPFEDSA-N 1 1 356.426 3.148 20 5 FGBDMO CSc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)cc1[N+](=O)[O-] ZINC000363283978 498745765 /nfs/dbraw/zinc/74/57/65/498745765.db2.gz CVNIUVFGIDLDRH-UHFFFAOYSA-N 1 1 369.406 3.458 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)c2c(c1)COCO2 ZINC000363409064 498804187 /nfs/dbraw/zinc/80/41/87/498804187.db2.gz KPMVJMCHWOZBAG-SFHVURJKSA-N 1 1 356.378 3.115 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](Oc3ccccc3)C2)c2c(c1)COCO2 ZINC000363409064 498804194 /nfs/dbraw/zinc/80/41/94/498804194.db2.gz KPMVJMCHWOZBAG-SFHVURJKSA-N 1 1 356.378 3.115 20 5 FGBDMO Cc1sc(C(=O)N2C[C@@H]3C[N@H+](C)[C@H](c4ccccc4)[C@H]3C2)cc1[N+](=O)[O-] ZINC000363418243 498810585 /nfs/dbraw/zinc/81/05/85/498810585.db2.gz FLNMZQZZQMYOIU-RLFYNMQTSA-N 1 1 371.462 3.340 20 5 FGBDMO O=C([C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000581952921 506099135 /nfs/dbraw/zinc/09/91/35/506099135.db2.gz ZCCIVEDOJNHJRJ-MRXNPFEDSA-N 1 1 351.406 3.006 20 5 FGBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000298804040 498883718 /nfs/dbraw/zinc/88/37/18/498883718.db2.gz ZFFKAKMVFVEQCY-INIZCTEOSA-N 1 1 358.398 3.097 20 5 FGBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000299113257 498968402 /nfs/dbraw/zinc/96/84/02/498968402.db2.gz GFCLAQBNVXBSTD-HNNXBMFYSA-N 1 1 371.441 3.195 20 5 FGBDMO O=C1CCCN1CC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000369807841 499131548 /nfs/dbraw/zinc/13/15/48/499131548.db2.gz GLCSSNIVPOLFDV-UHFFFAOYSA-N 1 1 351.834 3.083 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@](CO)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000367164229 499156009 /nfs/dbraw/zinc/15/60/09/499156009.db2.gz OKALYAGFZBUGNP-LJQANCHMSA-N 1 1 371.393 3.029 20 5 FGBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@](CO)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000367164229 499156010 /nfs/dbraw/zinc/15/60/10/499156010.db2.gz OKALYAGFZBUGNP-LJQANCHMSA-N 1 1 371.393 3.029 20 5 FGBDMO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000372734162 499167778 /nfs/dbraw/zinc/16/77/78/499167778.db2.gz BVNSNYCZRZEMCX-FNXXIHLHSA-N 1 1 362.429 3.032 20 5 FGBDMO Cc1ccc2c(c1)[nH]cc2C1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000370044394 499170751 /nfs/dbraw/zinc/17/07/51/499170751.db2.gz CGCAJUZIAXUEIE-UHFFFAOYSA-N 1 1 353.426 3.498 20 5 FGBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c2c(c1)COCO2 ZINC000367402237 499194977 /nfs/dbraw/zinc/19/49/77/499194977.db2.gz JIXBXVJHXUWJHN-LSDHHAIUSA-N 1 1 362.426 3.100 20 5 FGBDMO Cc1[nH+]c(CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2n1CCCC2 ZINC000367623932 499219327 /nfs/dbraw/zinc/21/93/27/499219327.db2.gz SBGGPNKBCZEHRO-UHFFFAOYSA-N 1 1 363.805 3.411 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000368062651 499260547 /nfs/dbraw/zinc/26/05/47/499260547.db2.gz QCGCCKPMEVERAF-HNNXBMFYSA-N 1 1 356.426 3.140 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000368062651 499260548 /nfs/dbraw/zinc/26/05/48/499260548.db2.gz QCGCCKPMEVERAF-HNNXBMFYSA-N 1 1 356.426 3.140 20 5 FGBDMO Cc1cc(N2CCC[N@H+]3CCC[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000371476210 499332049 /nfs/dbraw/zinc/33/20/49/499332049.db2.gz WLPZXFZCSPYVBR-KRWDZBQOSA-N 1 1 353.426 3.035 20 5 FGBDMO C[C@H]1[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCC12CCOCC2 ZINC000368813435 499335545 /nfs/dbraw/zinc/33/55/45/499335545.db2.gz GMRNUXIZLZZJTK-GFCCVEGCSA-N 1 1 367.833 3.078 20 5 FGBDMO C[C@H]1[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCC12CCOCC2 ZINC000368813435 499335546 /nfs/dbraw/zinc/33/55/46/499335546.db2.gz GMRNUXIZLZZJTK-GFCCVEGCSA-N 1 1 367.833 3.078 20 5 FGBDMO C[N@H+]1CC[C@@H](CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccs1 ZINC000369568133 499419381 /nfs/dbraw/zinc/41/93/81/499419381.db2.gz KBAUDRWSYGPMIO-XAPGLOBWSA-N 1 1 371.462 3.479 20 5 FGBDMO CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000372334151 499421830 /nfs/dbraw/zinc/42/18/30/499421830.db2.gz ZFIVAIKLUWZOLJ-CQSZACIVSA-N 1 1 358.398 3.098 20 5 FGBDMO Cc1ncc(C[N@H+]2CC[C@@H](Nc3nccc(C)c3[N+](=O)[O-])[C@H](C)C2)s1 ZINC000369592237 499423864 /nfs/dbraw/zinc/42/38/64/499423864.db2.gz QDYQOVSAUOUJBR-IUODEOHRSA-N 1 1 361.471 3.386 20 5 FGBDMO CC(C)c1cccc(NC(=O)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000373238008 499459253 /nfs/dbraw/zinc/45/92/53/499459253.db2.gz WUTVNYUAWWXFME-UHFFFAOYSA-N 1 1 371.441 3.190 20 5 FGBDMO Cc1[nH+]c(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)c2n1CCCC2 ZINC000378395728 499511571 /nfs/dbraw/zinc/51/15/71/499511571.db2.gz MTHDSKOWUQNUAL-UHFFFAOYSA-N 1 1 366.368 3.327 20 5 FGBDMO Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c1C ZINC000375405325 499514775 /nfs/dbraw/zinc/51/47/75/499514775.db2.gz QSQJHOYKYMDDPV-HZPDHXFCSA-N 1 1 371.441 3.072 20 5 FGBDMO Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c1C ZINC000375405325 499514776 /nfs/dbraw/zinc/51/47/76/499514776.db2.gz QSQJHOYKYMDDPV-HZPDHXFCSA-N 1 1 371.441 3.072 20 5 FGBDMO C[N@H+]1CC[C@@H]2CCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]21 ZINC000378479311 499522312 /nfs/dbraw/zinc/52/23/12/499522312.db2.gz XDHMFURJYSGDEZ-DYVFJYSZSA-N 1 1 358.467 3.244 20 5 FGBDMO Cc1cnc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c([N+](=O)[O-])c1 ZINC000390967537 499556116 /nfs/dbraw/zinc/55/61/16/499556116.db2.gz PXLFBTFBDKOWMK-QGZVFWFLSA-N 1 1 356.426 3.001 20 5 FGBDMO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000398005742 499565626 /nfs/dbraw/zinc/56/56/26/499565626.db2.gz YUWXETSWLPGYAH-DYESRHJHSA-N 1 1 369.465 3.474 20 5 FGBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000408101790 499576595 /nfs/dbraw/zinc/57/65/95/499576595.db2.gz UADVZQSKNLFSED-XQQFMLRXSA-N 1 1 361.471 3.441 20 5 FGBDMO CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000414497676 499799484 /nfs/dbraw/zinc/79/94/84/499799484.db2.gz LCKJTFYZNSGNPG-CYBMUJFWSA-N 1 1 359.451 3.233 20 5 FGBDMO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000412313369 499843844 /nfs/dbraw/zinc/84/38/44/499843844.db2.gz IPYFFVZJMCKVFC-RBUKOAKNSA-N 1 1 357.454 3.033 20 5 FGBDMO COc1ccc(-c2ccc(C[N@H+]3C[C@@H](C)C[C@H](CO)C3)o2)c([N+](=O)[O-])c1 ZINC000421359788 500026053 /nfs/dbraw/zinc/02/60/53/500026053.db2.gz GVUPPBVNOBEIMV-KBPBESRZSA-N 1 1 360.410 3.314 20 5 FGBDMO CCN1CCC([N@H+]2CCCN(C/C=C\c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000421377867 500032748 /nfs/dbraw/zinc/03/27/48/500032748.db2.gz SGLJWDBVOGKBSO-YVMONPNESA-N 1 1 372.513 3.100 20 5 FGBDMO CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000421394873 500036599 /nfs/dbraw/zinc/03/65/99/500036599.db2.gz UKULLTBDQYNTIC-KRWDZBQOSA-N 1 1 368.437 3.073 20 5 FGBDMO CC(=O)N[C@H]1CC[N@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000421394873 500036603 /nfs/dbraw/zinc/03/66/03/500036603.db2.gz UKULLTBDQYNTIC-KRWDZBQOSA-N 1 1 368.437 3.073 20 5 FGBDMO C[C@@H]1CN(CCC[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000417336405 500043666 /nfs/dbraw/zinc/04/36/66/500043666.db2.gz VEOGWWUBXKFSQW-UZLBHIALSA-N 1 1 361.486 3.453 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](CSC)C2)c([N+](=O)[O-])c1 ZINC000429296472 500046843 /nfs/dbraw/zinc/04/68/43/500046843.db2.gz XGUNEDSBMGFNMW-CYBMUJFWSA-N 1 1 367.471 3.007 20 5 FGBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H](CSC)C2)c([N+](=O)[O-])c1 ZINC000429296472 500046846 /nfs/dbraw/zinc/04/68/46/500046846.db2.gz XGUNEDSBMGFNMW-CYBMUJFWSA-N 1 1 367.471 3.007 20 5 FGBDMO COC(=O)[C@@H](C)C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000425394292 500093036 /nfs/dbraw/zinc/09/30/36/500093036.db2.gz KJTKQACTHXMUMK-JTQLQIEISA-N 1 1 371.231 3.131 20 5 FGBDMO CC(C)c1ccc(CN2CC[N@H+](C3CCOCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000426563631 500289652 /nfs/dbraw/zinc/28/96/52/500289652.db2.gz XKBXXZRTUOAZOF-INIZCTEOSA-N 1 1 361.486 3.403 20 5 FGBDMO Cc1c(NC(=O)[C@H](C)[NH+]2CCC(OC3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000419297220 500350462 /nfs/dbraw/zinc/35/04/62/500350462.db2.gz FHMDMNPZNKMYPD-AWEZNQCLSA-N 1 1 361.442 3.264 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCSC[C@H]3C3CCC3)o2)cc1 ZINC000419366828 500358208 /nfs/dbraw/zinc/35/82/08/500358208.db2.gz SWKZBMIUEGUMPR-HNNXBMFYSA-N 1 1 360.439 3.362 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCSC[C@H]3C3CCC3)o2)cc1 ZINC000419366828 500358211 /nfs/dbraw/zinc/35/82/11/500358211.db2.gz SWKZBMIUEGUMPR-HNNXBMFYSA-N 1 1 360.439 3.362 20 5 FGBDMO NC(=O)c1cccc([N+](=O)[O-])c1NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000420587886 500475051 /nfs/dbraw/zinc/47/50/51/500475051.db2.gz RDZWPZZSQJHYLM-CYBMUJFWSA-N 1 1 374.466 3.079 20 5 FGBDMO CC(C)[N@@H+](C)Cc1ccccc1CNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420588076 500475535 /nfs/dbraw/zinc/47/55/35/500475535.db2.gz QYPAHHXGRIJRHP-UHFFFAOYSA-N 1 1 356.426 3.146 20 5 FGBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420606554 500476665 /nfs/dbraw/zinc/47/66/65/500476665.db2.gz YPEUFQVVVLCWTG-HNNXBMFYSA-N 1 1 374.485 3.175 20 5 FGBDMO O=C1[C@H]([N@@H+]2CCC[C@@H](CC(F)(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000420954143 500540588 /nfs/dbraw/zinc/54/05/88/500540588.db2.gz UKXOMWLCPCKGIE-SWLSCSKDSA-N 1 1 371.359 3.365 20 5 FGBDMO O=C1[C@H]([N@H+]2CCC[C@@H](CC(F)(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000420954143 500540591 /nfs/dbraw/zinc/54/05/91/500540591.db2.gz UKXOMWLCPCKGIE-SWLSCSKDSA-N 1 1 371.359 3.365 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC2(CC1)CCS(=O)(=O)CC2 ZINC000428694774 500544758 /nfs/dbraw/zinc/54/47/58/500544758.db2.gz UHKAIGMBTCXDOQ-HNNXBMFYSA-N 1 1 366.483 3.255 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](CCO)CC1 ZINC000421024544 500558239 /nfs/dbraw/zinc/55/82/39/500558239.db2.gz XQCACQLUSIOMGZ-KGLIPLIRSA-N 1 1 360.414 3.190 20 5 FGBDMO C[C@H]1C[N@H+](CCCN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000433093922 500624629 /nfs/dbraw/zinc/62/46/29/500624629.db2.gz WNFKIXLOJLTODW-HNAYVOBHSA-N 1 1 361.486 3.408 20 5 FGBDMO C[C@H]1C[N@@H+](CCCN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000433093922 500624631 /nfs/dbraw/zinc/62/46/31/500624631.db2.gz WNFKIXLOJLTODW-HNAYVOBHSA-N 1 1 361.486 3.408 20 5 FGBDMO Cc1ccc2nc(C[NH2+][C@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)[nH]c2c1 ZINC000447563967 500625647 /nfs/dbraw/zinc/62/56/47/500625647.db2.gz TVRRNPKOQUYETH-HOCLYGCPSA-N 1 1 354.414 3.250 20 5 FGBDMO CCn1cccc(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1=O ZINC000433191503 500642525 /nfs/dbraw/zinc/64/25/25/500642525.db2.gz VCYYIFUJKIHXGA-UHFFFAOYSA-N 1 1 370.434 3.190 20 5 FGBDMO COc1cc(CN[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c([N+](=O)[O-])cc1F ZINC000573528237 506208100 /nfs/dbraw/zinc/20/81/00/506208100.db2.gz YFVZZBPVFWVCSY-APWZRJJASA-N 1 1 359.401 3.278 20 5 FGBDMO C[N@H+]1CCC[C@H](CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]1c1cccs1 ZINC000447688377 500646216 /nfs/dbraw/zinc/64/62/16/500646216.db2.gz XQJAVBUISDLZTN-SJKOYZFVSA-N 1 1 371.466 3.450 20 5 FGBDMO COc1ccc(OCC[N@H+]2CCS[C@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000437545512 500658594 /nfs/dbraw/zinc/65/85/94/500658594.db2.gz ZNBLAHZHVJRCOQ-PBHICJAKSA-N 1 1 352.456 3.342 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000437848025 500706566 /nfs/dbraw/zinc/70/65/66/500706566.db2.gz ZXHDKHGCPQBWDX-MRXNPFEDSA-N 1 1 369.421 3.249 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437851571 500706828 /nfs/dbraw/zinc/70/68/28/500706828.db2.gz YKNLAOCYTMESNX-MRXNPFEDSA-N 1 1 361.442 3.130 20 5 FGBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC000437853278 500707053 /nfs/dbraw/zinc/70/70/53/500707053.db2.gz WHMSPOSKAUBEPB-HNNXBMFYSA-N 1 1 361.442 3.130 20 5 FGBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@](C)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000438489772 500792042 /nfs/dbraw/zinc/79/20/42/500792042.db2.gz JXULTYGTYAUCKI-FQEVSTJZSA-N 1 1 369.421 3.206 20 5 FGBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@](C)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000438489772 500792045 /nfs/dbraw/zinc/79/20/45/500792045.db2.gz JXULTYGTYAUCKI-FQEVSTJZSA-N 1 1 369.421 3.206 20 5 FGBDMO O=C(NC[C@H]1CCCC[N@H+]1C1CC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000434349142 500830388 /nfs/dbraw/zinc/83/03/88/500830388.db2.gz GMIGYEWUINBKKQ-LJQANCHMSA-N 1 1 372.469 3.286 20 5 FGBDMO CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000444658952 500874683 /nfs/dbraw/zinc/87/46/83/500874683.db2.gz CIQRURDCHFDXPN-QGZVFWFLSA-N 1 1 365.437 3.177 20 5 FGBDMO CC[C@H]1CCCC[C@H]1[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000444682013 500877750 /nfs/dbraw/zinc/87/77/50/500877750.db2.gz SFTUWRAUUVDZQR-GXTWGEPZSA-N 1 1 363.414 3.163 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@@H](CC(F)(F)F)C3)n2)cc1 ZINC000444699682 500882385 /nfs/dbraw/zinc/88/23/85/500882385.db2.gz FHWJJSDRSUKPEG-JTQLQIEISA-N 1 1 356.304 3.419 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@@H](CC(F)(F)F)C3)n2)cc1 ZINC000444699682 500882388 /nfs/dbraw/zinc/88/23/88/500882388.db2.gz FHWJJSDRSUKPEG-JTQLQIEISA-N 1 1 356.304 3.419 20 5 FGBDMO CC1(C)CC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCS1 ZINC000434712933 500883600 /nfs/dbraw/zinc/88/36/00/500883600.db2.gz XHSYEHXDTUQLKA-UHFFFAOYSA-N 1 1 365.455 3.110 20 5 FGBDMO C[C@H]1C[C@@H](c2ccccc2)CC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000439315410 500883956 /nfs/dbraw/zinc/88/39/56/500883956.db2.gz BIRXCLZPZOXAIN-HOCLYGCPSA-N 1 1 353.422 3.462 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000444721598 500887820 /nfs/dbraw/zinc/88/78/20/500887820.db2.gz WIOLDNSPAUPUKK-NHYWBVRUSA-N 1 1 362.348 3.129 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000444721598 500887822 /nfs/dbraw/zinc/88/78/22/500887822.db2.gz WIOLDNSPAUPUKK-NHYWBVRUSA-N 1 1 362.348 3.129 20 5 FGBDMO COc1ccc(C[N@@H+](C[C@H](O)COc2ccccc2)C(C)C)cc1[N+](=O)[O-] ZINC000444814537 500906201 /nfs/dbraw/zinc/90/62/01/500906201.db2.gz OHRJCWPUOFLEJC-KRWDZBQOSA-N 1 1 374.437 3.254 20 5 FGBDMO CN(C)C(=O)c1ccc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000449495118 501017598 /nfs/dbraw/zinc/01/75/98/501017598.db2.gz CDDRSXKXUBRADS-OAHLLOKOSA-N 1 1 356.426 3.004 20 5 FGBDMO CCOc1ccccc1OCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000441196329 501102056 /nfs/dbraw/zinc/10/20/56/501102056.db2.gz MEBSZDFWWIYBAB-UHFFFAOYSA-N 1 1 371.437 3.195 20 5 FGBDMO COc1ccc(OCC[N@@H+](C)CCOc2cccc(C)c2)c([N+](=O)[O-])c1 ZINC000441222141 501104989 /nfs/dbraw/zinc/10/49/89/501104989.db2.gz AWLSOSHXJVJJSW-UHFFFAOYSA-N 1 1 360.410 3.301 20 5 FGBDMO COc1ccc(OCC[N@@H+](C)CCOc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000441253626 501108987 /nfs/dbraw/zinc/10/89/87/501108987.db2.gz AVWXGPSHMHVPAO-UHFFFAOYSA-N 1 1 364.373 3.132 20 5 FGBDMO COc1ccc(OCC[NH+]2CCN(c3cccc(C)c3)CC2)c([N+](=O)[O-])c1 ZINC000441256169 501109989 /nfs/dbraw/zinc/10/99/89/501109989.db2.gz MTGFCQACKAYEQT-UHFFFAOYSA-N 1 1 371.437 3.113 20 5 FGBDMO CCC[C@@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)CC[N@H+]1CCOC ZINC000450416346 501116998 /nfs/dbraw/zinc/11/69/98/501116998.db2.gz FVETUMQCZWOJNH-QGZVFWFLSA-N 1 1 358.442 3.080 20 5 FGBDMO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000450531907 501146594 /nfs/dbraw/zinc/14/65/94/501146594.db2.gz VFPTZOSHFZBXSV-XJKSGUPXSA-N 1 1 374.466 3.018 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(CN[C@H]3CCC[N@H+](Cc4ccccc4)C3)nc2c1 ZINC000446830799 501170170 /nfs/dbraw/zinc/17/01/70/501170170.db2.gz WYXXVCNSSONQEG-INIZCTEOSA-N 1 1 365.437 3.225 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(CN[C@H]3CCC[N@@H+](Cc4ccccc4)C3)nc2c1 ZINC000446830799 501170172 /nfs/dbraw/zinc/17/01/72/501170172.db2.gz WYXXVCNSSONQEG-INIZCTEOSA-N 1 1 365.437 3.225 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccc(OCC(F)F)cc3)nc2c1 ZINC000446850914 501173521 /nfs/dbraw/zinc/17/35/21/501173521.db2.gz FLKLZPWKMQJYET-UHFFFAOYSA-N 1 1 362.336 3.405 20 5 FGBDMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000451231154 501253616 /nfs/dbraw/zinc/25/36/16/501253616.db2.gz VFRQGOMSQSVDHC-GXTWGEPZSA-N 1 1 359.813 3.029 20 5 FGBDMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000451231154 501253617 /nfs/dbraw/zinc/25/36/17/501253617.db2.gz VFRQGOMSQSVDHC-GXTWGEPZSA-N 1 1 359.813 3.029 20 5 FGBDMO O=C(CC[N@H+]1CCC[C@H]1COc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000451313893 501262690 /nfs/dbraw/zinc/26/26/90/501262690.db2.gz NMRDZHAKPAMQTG-INIZCTEOSA-N 1 1 369.421 3.467 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451428379 501290880 /nfs/dbraw/zinc/29/08/80/501290880.db2.gz WCYBSVYGQKCLGQ-ZFVVBOAOSA-N 1 1 372.425 3.331 20 5 FGBDMO CC(C)[N@H+]1CC[C@@H](CNCc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602655207 506247948 /nfs/dbraw/zinc/24/79/48/506247948.db2.gz FQLQZBSDZPRETC-JTQLQIEISA-N 1 1 362.293 3.239 20 5 FGBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000451730796 501361915 /nfs/dbraw/zinc/36/19/15/501361915.db2.gz CBMXOWGNIGRDLB-IAGOWNOFSA-N 1 1 364.833 3.033 20 5 FGBDMO C[N@H+]1CCC[C@H](CCNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000458202331 501391369 /nfs/dbraw/zinc/39/13/69/501391369.db2.gz HWEDRYUOIYMAHB-LLVKDONJSA-N 1 1 359.348 3.075 20 5 FGBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000451893399 501394514 /nfs/dbraw/zinc/39/45/14/501394514.db2.gz CAAQBZCQMWJRIS-ACJLOTCBSA-N 1 1 358.398 3.208 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1CCN(CC(F)(F)F)CC1 ZINC000452045927 501424468 /nfs/dbraw/zinc/42/44/68/501424468.db2.gz XMRFDIHCKQJYMS-UHFFFAOYSA-N 1 1 361.364 3.062 20 5 FGBDMO CC(C)(C)C[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000452086109 501431982 /nfs/dbraw/zinc/43/19/82/501431982.db2.gz WYIJDXISEXVXAB-CQSZACIVSA-N 1 1 354.472 3.127 20 5 FGBDMO CC(C)(C)C[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000452086109 501431984 /nfs/dbraw/zinc/43/19/84/501431984.db2.gz WYIJDXISEXVXAB-CQSZACIVSA-N 1 1 354.472 3.127 20 5 FGBDMO CC(C)(C)C[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000452086104 501432117 /nfs/dbraw/zinc/43/21/17/501432117.db2.gz WYIJDXISEXVXAB-AWEZNQCLSA-N 1 1 354.472 3.127 20 5 FGBDMO CC(C)(C)C[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000452086104 501432119 /nfs/dbraw/zinc/43/21/19/501432119.db2.gz WYIJDXISEXVXAB-AWEZNQCLSA-N 1 1 354.472 3.127 20 5 FGBDMO C[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000456300295 501491779 /nfs/dbraw/zinc/49/17/79/501491779.db2.gz GLIOMIMFFABYFE-QGZVFWFLSA-N 1 1 367.449 3.118 20 5 FGBDMO C[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000456314071 501495482 /nfs/dbraw/zinc/49/54/82/501495482.db2.gz VTJZEQVDUZUKGL-INIZCTEOSA-N 1 1 353.422 3.189 20 5 FGBDMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000456348009 501505916 /nfs/dbraw/zinc/50/59/16/501505916.db2.gz KAYOGZSWKOVRRW-CQSZACIVSA-N 1 1 374.466 3.275 20 5 FGBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000456348009 501505918 /nfs/dbraw/zinc/50/59/18/501505918.db2.gz KAYOGZSWKOVRRW-CQSZACIVSA-N 1 1 374.466 3.275 20 5 FGBDMO C[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000458891212 501553640 /nfs/dbraw/zinc/55/36/40/501553640.db2.gz RHMVJSORLSHTOW-HNAYVOBHSA-N 1 1 368.437 3.354 20 5 FGBDMO C[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000458891212 501553643 /nfs/dbraw/zinc/55/36/43/501553643.db2.gz RHMVJSORLSHTOW-HNAYVOBHSA-N 1 1 368.437 3.354 20 5 FGBDMO CSc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000456999028 501632681 /nfs/dbraw/zinc/63/26/81/501632681.db2.gz SHUQBXVBVMFWSF-OAHLLOKOSA-N 1 1 357.435 3.103 20 5 FGBDMO C[C@@H]1[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000477621164 501740206 /nfs/dbraw/zinc/74/02/06/501740206.db2.gz HKARJQPZDPFBRW-CRAIPNDOSA-N 1 1 368.437 3.057 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000467700511 501848559 /nfs/dbraw/zinc/84/85/59/501848559.db2.gz LOCLSRVCLRQYOJ-DOTOQJQBSA-N 1 1 353.422 3.296 20 5 FGBDMO COc1cc(C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000485740744 501921364 /nfs/dbraw/zinc/92/13/64/501921364.db2.gz ATZGUFKZBBCJSQ-INIZCTEOSA-N 1 1 369.421 3.454 20 5 FGBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000478342124 501948635 /nfs/dbraw/zinc/94/86/35/501948635.db2.gz NEIANQBHYDAHFV-OAHLLOKOSA-N 1 1 362.474 3.050 20 5 FGBDMO C[C@H](CNc1ncc(Br)cc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000474785280 501952071 /nfs/dbraw/zinc/95/20/71/501952071.db2.gz RSZSJOPKKAUBIE-WDEREUQCSA-N 1 1 357.252 3.427 20 5 FGBDMO CC(C)N(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000592874039 506285764 /nfs/dbraw/zinc/28/57/64/506285764.db2.gz QQTJMONVVHENMR-INIZCTEOSA-N 1 1 356.426 3.048 20 5 FGBDMO O=[N+]([O-])c1ccc(OC(F)F)c(CNc2[nH]c3ccc(F)cc3[nH+]2)c1 ZINC000485981226 502009414 /nfs/dbraw/zinc/00/94/14/502009414.db2.gz RJCYMBKLYPMASC-UHFFFAOYSA-N 1 1 352.272 3.246 20 5 FGBDMO CC[C@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CCO1 ZINC000486030791 502023611 /nfs/dbraw/zinc/02/36/11/502023611.db2.gz SDLFONNJZCRYRB-HNNXBMFYSA-N 1 1 351.447 3.295 20 5 FGBDMO CC[C@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CCO1 ZINC000486030791 502023615 /nfs/dbraw/zinc/02/36/15/502023615.db2.gz SDLFONNJZCRYRB-HNNXBMFYSA-N 1 1 351.447 3.295 20 5 FGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000602769461 506292227 /nfs/dbraw/zinc/29/22/27/506292227.db2.gz FHOATIKOKXNUOH-UHFFFAOYSA-N 1 1 368.441 3.054 20 5 FGBDMO CCCCN(CC)C(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464786608 502094963 /nfs/dbraw/zinc/09/49/63/502094963.db2.gz ZSWLIKDOBZCKMG-UHFFFAOYSA-N 1 1 363.458 3.087 20 5 FGBDMO CCC[N@@H+](CC)CCNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475225090 502104331 /nfs/dbraw/zinc/10/43/31/502104331.db2.gz RDMQPXNHWIFLAM-UHFFFAOYSA-N 1 1 362.352 3.467 20 5 FGBDMO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000468752950 502171247 /nfs/dbraw/zinc/17/12/47/502171247.db2.gz ADAQKAWDLKUPOP-INIZCTEOSA-N 1 1 351.834 3.271 20 5 FGBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000461794729 502204411 /nfs/dbraw/zinc/20/44/11/502204411.db2.gz KCJQQTQQKVYEFK-HNNXBMFYSA-N 1 1 362.474 3.389 20 5 FGBDMO CC[N@@H+](Cc1ccccc1)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000475578553 502217321 /nfs/dbraw/zinc/21/73/21/502217321.db2.gz BKVZFNZBIVJJPE-UHFFFAOYSA-N 1 1 358.394 3.169 20 5 FGBDMO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000482962249 502229296 /nfs/dbraw/zinc/22/92/96/502229296.db2.gz KGFDVJPYHWKFSH-KRWDZBQOSA-N 1 1 373.840 3.181 20 5 FGBDMO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000482962249 502229305 /nfs/dbraw/zinc/22/93/05/502229305.db2.gz KGFDVJPYHWKFSH-KRWDZBQOSA-N 1 1 373.840 3.181 20 5 FGBDMO CCC[C@@H]1CCC[N@@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000475722467 502265034 /nfs/dbraw/zinc/26/50/34/502265034.db2.gz KQLDWUCHNVUAJJ-CQSZACIVSA-N 1 1 350.415 3.159 20 5 FGBDMO COC(=O)COc1ccc(C[N@H+]2CCCC[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000475726295 502265499 /nfs/dbraw/zinc/26/54/99/502265499.db2.gz SMAXBPDURZYYGJ-HNNXBMFYSA-N 1 1 350.415 3.157 20 5 FGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000602797898 506303590 /nfs/dbraw/zinc/30/35/90/506303590.db2.gz RZUYSUWANWUFTM-HNNXBMFYSA-N 1 1 355.398 3.468 20 5 FGBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000602797898 506303595 /nfs/dbraw/zinc/30/35/95/506303595.db2.gz RZUYSUWANWUFTM-HNNXBMFYSA-N 1 1 355.398 3.468 20 5 FGBDMO CCNc1ccc(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000483111847 502275900 /nfs/dbraw/zinc/27/59/00/502275900.db2.gz FQTDAALVUHCTCI-UHFFFAOYSA-N 1 1 374.416 3.028 20 5 FGBDMO CCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000472238581 502280848 /nfs/dbraw/zinc/28/08/48/502280848.db2.gz GOQYYWKJCCJJEO-IBGZPJMESA-N 1 1 371.485 3.168 20 5 FGBDMO CCCN(CCn1cc([N+](=O)[O-])cn1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000472238581 502280853 /nfs/dbraw/zinc/28/08/53/502280853.db2.gz GOQYYWKJCCJJEO-IBGZPJMESA-N 1 1 371.485 3.168 20 5 FGBDMO CCCN(CCn1cc([N+](=O)[O-])cn1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000472238581 502280859 /nfs/dbraw/zinc/28/08/59/502280859.db2.gz GOQYYWKJCCJJEO-IBGZPJMESA-N 1 1 371.485 3.168 20 5 FGBDMO COc1cc([C@H](C)[NH2+]Cc2cn(C)nc2[N+](=O)[O-])ccc1OCC(C)C ZINC000602800043 506304095 /nfs/dbraw/zinc/30/40/95/506304095.db2.gz ITMMYVLLGPUOLR-ZDUSSCGKSA-N 1 1 362.430 3.223 20 5 FGBDMO Cc1ccc2c(C3=CC[N@@H+](CCn4cc([N+](=O)[O-])cn4)CC3)c[nH]c2c1 ZINC000472444461 502353725 /nfs/dbraw/zinc/35/37/25/502353725.db2.gz QXWWLPWBLIKCQE-UHFFFAOYSA-N 1 1 351.410 3.370 20 5 FGBDMO COc1c(C(=O)N2C[C@H]3CCC[N@H+]3Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000483337854 502354776 /nfs/dbraw/zinc/35/47/76/502354776.db2.gz MFNVBVHUDDJMFB-OAHLLOKOSA-N 1 1 367.405 3.228 20 5 FGBDMO Cc1ccccc1C[NH+]1CCC(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000476003902 502356439 /nfs/dbraw/zinc/35/64/39/502356439.db2.gz HJQSVCLIMZPROM-UHFFFAOYSA-N 1 1 369.421 3.003 20 5 FGBDMO C[C@H]1OCC[C@@]1(O)C[N@@H+](Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000582586188 506310297 /nfs/dbraw/zinc/31/02/97/506310297.db2.gz ZXBNUNQTEJMOCV-OXQOHEQNSA-N 1 1 356.422 3.137 20 5 FGBDMO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487266610 502405268 /nfs/dbraw/zinc/40/52/68/502405268.db2.gz IZJKYCOCBAAKIJ-YJBOKZPZSA-N 1 1 353.422 3.235 20 5 FGBDMO Cc1ccc2c(c1)CC[N@H+]([C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000484030641 502553554 /nfs/dbraw/zinc/55/35/54/502553554.db2.gz MEEPAMCQMUCBBS-IBGZPJMESA-N 1 1 351.406 3.067 20 5 FGBDMO Cc1ccc2c(c1)CC[N@@H+]([C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000484030641 502553558 /nfs/dbraw/zinc/55/35/58/502553558.db2.gz MEEPAMCQMUCBBS-IBGZPJMESA-N 1 1 351.406 3.067 20 5 FGBDMO C[C@@H](NC(=O)CC[N@H+]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000473333450 502567909 /nfs/dbraw/zinc/56/79/09/502567909.db2.gz ZYYCOLAMOXTTLM-OAHLLOKOSA-N 1 1 353.422 3.220 20 5 FGBDMO COc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc2c1OCO2 ZINC000466454055 502575374 /nfs/dbraw/zinc/57/53/74/502575374.db2.gz VFJVFJODDLWUMM-UHFFFAOYSA-N 1 1 350.758 3.275 20 5 FGBDMO C[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCCC[C@H]1C ZINC000466552379 502605363 /nfs/dbraw/zinc/60/53/63/502605363.db2.gz BZJNBKZWWBLLBO-CHWSQXEVSA-N 1 1 368.865 3.310 20 5 FGBDMO COc1cccc(N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000480590100 502612798 /nfs/dbraw/zinc/61/27/98/502612798.db2.gz PVAATQNMQZCVNN-CALCHBBNSA-N 1 1 353.422 3.172 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000477052172 502661824 /nfs/dbraw/zinc/66/18/24/502661824.db2.gz UPSSCNKIXJMOSL-LJQANCHMSA-N 1 1 361.442 3.124 20 5 FGBDMO CCCC[N@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000470173169 502693229 /nfs/dbraw/zinc/69/32/29/502693229.db2.gz JBVBJELPSWQPNE-RXBGNRNISA-N 1 1 366.483 3.287 20 5 FGBDMO CCCC[N@@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000470173169 502693231 /nfs/dbraw/zinc/69/32/31/502693231.db2.gz JBVBJELPSWQPNE-RXBGNRNISA-N 1 1 366.483 3.287 20 5 FGBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)C1CCN(c2cccnn2)CC1 ZINC000470179376 502697767 /nfs/dbraw/zinc/69/77/67/502697767.db2.gz WZFLAXOVRZIAHV-SSZFMOIBSA-N 1 1 367.453 3.389 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)C1CC1 ZINC000477261484 502722115 /nfs/dbraw/zinc/72/21/15/502722115.db2.gz ZPINJILBIYPMBW-LJQANCHMSA-N 1 1 371.412 3.374 20 5 FGBDMO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000488472973 502724627 /nfs/dbraw/zinc/72/46/27/502724627.db2.gz VTVQQRAVYDOLBU-AVGNSLFASA-N 1 1 374.445 3.294 20 5 FGBDMO CC[C@@H]1Cc2ccccc2C[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000466934454 502731264 /nfs/dbraw/zinc/73/12/64/502731264.db2.gz PAGRJBLTHWMOIP-MSOLQXFVSA-N 1 1 356.422 3.171 20 5 FGBDMO CO[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@@H]1OC ZINC000488532295 502743008 /nfs/dbraw/zinc/74/30/08/502743008.db2.gz GKPUUHNTEXPVEX-CALCHBBNSA-N 1 1 366.801 3.354 20 5 FGBDMO COCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H]1CC[C@H](C)C1 ZINC000484860627 502757099 /nfs/dbraw/zinc/75/70/99/502757099.db2.gz JDIJRPWEJRPKES-HOCLYGCPSA-N 1 1 363.458 3.369 20 5 FGBDMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000588771336 506334177 /nfs/dbraw/zinc/33/41/77/506334177.db2.gz YYPBQBPCSQJNJN-TWOQFEAHSA-N 1 1 367.449 3.478 20 5 FGBDMO CCOc1ccc([C@@H](C)NC[C@]2([NH+](C)C)CCSC2)cc1[N+](=O)[O-] ZINC000504895567 502819726 /nfs/dbraw/zinc/81/97/26/502819726.db2.gz USWGGRKAPYWVCF-CXAGYDPISA-N 1 1 353.488 3.081 20 5 FGBDMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000509182356 502842408 /nfs/dbraw/zinc/84/24/08/502842408.db2.gz HYEPKBNFIPTTLK-CQSZACIVSA-N 1 1 373.375 3.494 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000500868788 502882028 /nfs/dbraw/zinc/88/20/28/502882028.db2.gz ZIGJWMJUXBNHPO-WBVHZDCISA-N 1 1 353.422 3.469 20 5 FGBDMO Cc1cc(NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489159416 502890853 /nfs/dbraw/zinc/89/08/53/502890853.db2.gz CSFSWBVOZAVNOX-ZBFHGGJFSA-N 1 1 369.469 3.314 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(CCN2CCOCC2)CC1 ZINC000489226793 502904969 /nfs/dbraw/zinc/90/49/69/502904969.db2.gz RQUZIADLQSZDSP-KRWDZBQOSA-N 1 1 361.486 3.399 20 5 FGBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCCCn1cc[nH+]c1C ZINC000509484967 502915396 /nfs/dbraw/zinc/91/53/96/502915396.db2.gz GWFPJXLWIVFFNP-UHFFFAOYSA-N 1 1 352.778 3.042 20 5 FGBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000509506923 502920574 /nfs/dbraw/zinc/92/05/74/502920574.db2.gz ZOVUBXVYRDMGOF-CRAIPNDOSA-N 1 1 353.422 3.089 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000489356059 502937031 /nfs/dbraw/zinc/93/70/31/502937031.db2.gz UTPWRZIBKZFVMK-BPUTZDHNSA-N 1 1 362.474 3.384 20 5 FGBDMO CCc1ccc([C@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)CC[NH2+]2)cc1 ZINC000505567286 502937533 /nfs/dbraw/zinc/93/75/33/502937533.db2.gz XKAMHVDJBUVOFT-LJQANCHMSA-N 1 1 371.412 3.012 20 5 FGBDMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000497393847 502947219 /nfs/dbraw/zinc/94/72/19/502947219.db2.gz TXIAROHYWNEABW-CABCVRRESA-N 1 1 363.458 3.120 20 5 FGBDMO Cc1ccc([C@H](C)NC(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000489451798 502962597 /nfs/dbraw/zinc/96/25/97/502962597.db2.gz SJZZWRMKYPGVSV-OWIUFQIYSA-N 1 1 374.485 3.336 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C(C)C)CC1 ZINC000505787811 502986619 /nfs/dbraw/zinc/98/66/19/502986619.db2.gz RFAWYHRQHJVAGF-UHFFFAOYSA-N 1 1 351.472 3.263 20 5 FGBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000489577194 502989943 /nfs/dbraw/zinc/98/99/43/502989943.db2.gz KWEBQUZLLDQIAY-OAHLLOKOSA-N 1 1 362.474 3.107 20 5 FGBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@H](n3ncc4ccccc43)C2)c1 ZINC000510415530 503109766 /nfs/dbraw/zinc/10/97/66/503109766.db2.gz MLKFILOICZLORK-QGZVFWFLSA-N 1 1 352.394 3.270 20 5 FGBDMO CCN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000501955241 503116115 /nfs/dbraw/zinc/11/61/15/503116115.db2.gz KSTNDTYKGVJGPB-HOCLYGCPSA-N 1 1 356.426 3.221 20 5 FGBDMO CC[N@@H+]1C[C@H](C)N(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000498558892 503211473 /nfs/dbraw/zinc/21/14/73/503211473.db2.gz XRTGFHSHTMHFLD-HZSPNIEDSA-N 1 1 351.472 3.017 20 5 FGBDMO CC[N@H+]1C[C@H](C)N(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000498558892 503211477 /nfs/dbraw/zinc/21/14/77/503211477.db2.gz XRTGFHSHTMHFLD-HZSPNIEDSA-N 1 1 351.472 3.017 20 5 FGBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C ZINC000498572637 503216097 /nfs/dbraw/zinc/21/60/97/503216097.db2.gz QAIGCEMAZZOHAM-OLZOCXBDSA-N 1 1 374.466 3.273 20 5 FGBDMO Cc1ccc([C@@H](C)[NH2+]Cc2cc(S(C)(=O)=O)ccc2F)cc1[N+](=O)[O-] ZINC000502565088 503226525 /nfs/dbraw/zinc/22/65/25/503226525.db2.gz YTAGYAZCUOZXOV-GFCCVEGCSA-N 1 1 366.414 3.297 20 5 FGBDMO Cc1cccc(C)c1OC[C@H](O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511135160 503266168 /nfs/dbraw/zinc/26/61/68/503266168.db2.gz FEDVFXWGWGNNJA-GOSISDBHSA-N 1 1 358.438 3.126 20 5 FGBDMO C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511141829 503268098 /nfs/dbraw/zinc/26/80/98/503268098.db2.gz NHGPBMOVZBPWBY-MRXNPFEDSA-N 1 1 355.438 3.116 20 5 FGBDMO C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511141829 503268101 /nfs/dbraw/zinc/26/81/01/503268101.db2.gz NHGPBMOVZBPWBY-MRXNPFEDSA-N 1 1 355.438 3.116 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000507301573 503273577 /nfs/dbraw/zinc/27/35/77/503273577.db2.gz KLLXMWMJDYQNFR-LRDDRELGSA-N 1 1 363.483 3.309 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000511280893 503292749 /nfs/dbraw/zinc/29/27/49/503292749.db2.gz JYHRTJRIHXYJEW-UHFFFAOYSA-N 1 1 353.422 3.081 20 5 FGBDMO Cc1cc(C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000507597782 503329755 /nfs/dbraw/zinc/32/97/55/503329755.db2.gz SWFABZWCXNJHTN-QAPCUYQASA-N 1 1 353.422 3.469 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(C)(C2CC2)CC1 ZINC000515444744 503339243 /nfs/dbraw/zinc/33/92/43/503339243.db2.gz VITRSOOIPVNCQT-ZDUSSCGKSA-N 1 1 361.442 3.443 20 5 FGBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000511589155 503349459 /nfs/dbraw/zinc/34/94/59/503349459.db2.gz WDXNTMFHLPOYSN-AWEZNQCLSA-N 1 1 370.331 3.468 20 5 FGBDMO O=[N+]([O-])c1cnccc1N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000511670392 503366740 /nfs/dbraw/zinc/36/67/40/503366740.db2.gz HJLOHVIPRQVSAG-CQSZACIVSA-N 1 1 366.343 3.117 20 5 FGBDMO Cn1ccnc1[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000507911833 503393809 /nfs/dbraw/zinc/39/38/09/503393809.db2.gz MWJMWCZWMBRRBJ-GOSISDBHSA-N 1 1 354.385 3.389 20 5 FGBDMO O=C([C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000493047973 503403130 /nfs/dbraw/zinc/40/31/30/503403130.db2.gz GQDRGCKMWZHWRX-CYBMUJFWSA-N 1 1 351.834 3.083 20 5 FGBDMO O=C([C@@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000493047973 503403137 /nfs/dbraw/zinc/40/31/37/503403137.db2.gz GQDRGCKMWZHWRX-CYBMUJFWSA-N 1 1 351.834 3.083 20 5 FGBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1OCC ZINC000516119068 503449576 /nfs/dbraw/zinc/44/95/76/503449576.db2.gz JZCWIWJJHDHSJD-CYBMUJFWSA-N 1 1 352.435 3.235 20 5 FGBDMO CCC[C@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC[N@H+]1CCOC ZINC000499653441 503450330 /nfs/dbraw/zinc/45/03/30/503450330.db2.gz ASSPZYZISRFZRD-KRWDZBQOSA-N 1 1 358.442 3.080 20 5 FGBDMO CC(C)[N@@H+](CCc1nnnn1-c1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000516299690 503490511 /nfs/dbraw/zinc/49/05/11/503490511.db2.gz AGBRVFIQIMKEOM-UHFFFAOYSA-N 1 1 366.425 3.024 20 5 FGBDMO CCC(C)(C)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000512271671 503504902 /nfs/dbraw/zinc/50/49/02/503504902.db2.gz QRGHFMVTOJRMNF-UHFFFAOYSA-N 1 1 358.236 3.416 20 5 FGBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000504089093 503520839 /nfs/dbraw/zinc/52/08/39/503520839.db2.gz FKFXNHHADLRAIN-HZPDHXFCSA-N 1 1 363.483 3.454 20 5 FGBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@H](O)[C@@H]4CCCC[C@@H]43)co2)cc1 ZINC000602997965 506377418 /nfs/dbraw/zinc/37/74/18/506377418.db2.gz UYNLPVBOLZRGKC-SQNIBIBYSA-N 1 1 357.410 3.375 20 5 FGBDMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000512402603 503538354 /nfs/dbraw/zinc/53/83/54/503538354.db2.gz DJKPNJBOYKDIQU-UHFFFAOYSA-N 1 1 359.813 3.205 20 5 FGBDMO CCC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CCN1CCCC1 ZINC000512419824 503545064 /nfs/dbraw/zinc/54/50/64/503545064.db2.gz CVQATJVRIYCGBF-UHFFFAOYSA-N 1 1 362.474 3.040 20 5 FGBDMO CCCN(CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CC[NH+]1CCCC1 ZINC000512419824 503545067 /nfs/dbraw/zinc/54/50/67/503545067.db2.gz CVQATJVRIYCGBF-UHFFFAOYSA-N 1 1 362.474 3.040 20 5 FGBDMO O=C1CC[C@@H]2C[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CCN12 ZINC000512419742 503545231 /nfs/dbraw/zinc/54/52/31/503545231.db2.gz BVOCVHDNMWUCTG-CYBMUJFWSA-N 1 1 357.435 3.130 20 5 FGBDMO O=C1CC[C@@H]2C[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CCN12 ZINC000512419742 503545236 /nfs/dbraw/zinc/54/52/36/503545236.db2.gz BVOCVHDNMWUCTG-CYBMUJFWSA-N 1 1 357.435 3.130 20 5 FGBDMO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000512468144 503562194 /nfs/dbraw/zinc/56/21/94/503562194.db2.gz IFWBHBQTIFBLDI-OLZOCXBDSA-N 1 1 369.849 3.202 20 5 FGBDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000512468144 503562198 /nfs/dbraw/zinc/56/21/98/503562198.db2.gz IFWBHBQTIFBLDI-OLZOCXBDSA-N 1 1 369.849 3.202 20 5 FGBDMO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000536706545 503690642 /nfs/dbraw/zinc/69/06/42/503690642.db2.gz RHEXBGSGWZJPKN-HNNXBMFYSA-N 1 1 370.453 3.177 20 5 FGBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000533010989 503697051 /nfs/dbraw/zinc/69/70/51/503697051.db2.gz JNBLQYNBIHXZSI-LLVKDONJSA-N 1 1 359.348 3.074 20 5 FGBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000533141845 503743388 /nfs/dbraw/zinc/74/33/88/503743388.db2.gz OOEZUMFTACODBG-UHFFFAOYSA-N 1 1 371.437 3.000 20 5 FGBDMO C[C@H](C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000543521887 503801122 /nfs/dbraw/zinc/80/11/22/503801122.db2.gz SQZDUJOSUCJCMV-MJBXVCDLSA-N 1 1 351.422 3.217 20 5 FGBDMO CC(C)[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000546610800 503806522 /nfs/dbraw/zinc/80/65/22/503806522.db2.gz PWKJVXFZVDAUIB-QGZVFWFLSA-N 1 1 370.453 3.133 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000533364180 503818115 /nfs/dbraw/zinc/81/81/15/503818115.db2.gz HDZYIWUDSOAMCF-INIZCTEOSA-N 1 1 354.410 3.028 20 5 FGBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000533364180 503818118 /nfs/dbraw/zinc/81/81/18/503818118.db2.gz HDZYIWUDSOAMCF-INIZCTEOSA-N 1 1 354.410 3.028 20 5 FGBDMO Cc1ccccc1[C@@H]1CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000533401478 503832179 /nfs/dbraw/zinc/83/21/79/503832179.db2.gz QXKMOYJKVJEJCB-UZLBHIALSA-N 1 1 365.433 3.498 20 5 FGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000533431087 503843218 /nfs/dbraw/zinc/84/32/18/503843218.db2.gz OCCCHLZOQZUXCZ-NVXWUHKLSA-N 1 1 353.422 3.486 20 5 FGBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCC1=CC[N@@H+](C)CC1 ZINC000537245206 503855333 /nfs/dbraw/zinc/85/53/33/503855333.db2.gz UYHWEWRSOGNMSR-UHFFFAOYSA-N 1 1 363.483 3.335 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](Nc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000533500921 503866544 /nfs/dbraw/zinc/86/65/44/503866544.db2.gz MBYFKDPOVSXSTD-NVXWUHKLSA-N 1 1 368.437 3.417 20 5 FGBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](Nc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000533500921 503866551 /nfs/dbraw/zinc/86/65/51/503866551.db2.gz MBYFKDPOVSXSTD-NVXWUHKLSA-N 1 1 368.437 3.417 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])c(NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)n1 ZINC000543791164 503895013 /nfs/dbraw/zinc/89/50/13/503895013.db2.gz CMWVNCSLJJXZSB-INIZCTEOSA-N 1 1 370.453 3.439 20 5 FGBDMO Cc1cc(C)c([N+](=O)[O-])c(NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)n1 ZINC000543791164 503895016 /nfs/dbraw/zinc/89/50/16/503895016.db2.gz CMWVNCSLJJXZSB-INIZCTEOSA-N 1 1 370.453 3.439 20 5 FGBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000543820876 503906021 /nfs/dbraw/zinc/90/60/21/503906021.db2.gz BROYFNKBIPFZHF-LBPRGKRZSA-N 1 1 371.384 3.000 20 5 FGBDMO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](COC)C2)cc1OC ZINC000543844616 503913322 /nfs/dbraw/zinc/91/33/22/503913322.db2.gz WZPCALDHJWEDSL-HUUCEWRRSA-N 1 1 366.458 3.497 20 5 FGBDMO CC(C)NC(=O)c1ccc(N[C@H]2C[N@H+](C)Cc3ccccc32)c([N+](=O)[O-])c1 ZINC000533818721 503962163 /nfs/dbraw/zinc/96/21/63/503962163.db2.gz HCNJWICJCBOKEC-SFHVURJKSA-N 1 1 368.437 3.332 20 5 FGBDMO CC(C)NC(=O)c1ccc(N[C@H]2C[N@@H+](C)Cc3ccccc32)c([N+](=O)[O-])c1 ZINC000533818721 503962170 /nfs/dbraw/zinc/96/21/70/503962170.db2.gz HCNJWICJCBOKEC-SFHVURJKSA-N 1 1 368.437 3.332 20 5 FGBDMO COC(=O)COc1ccc(C[NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)cc1[N+](=O)[O-] ZINC000530441411 503965776 /nfs/dbraw/zinc/96/57/76/503965776.db2.gz QHENEKUWLYALKV-SWLSCSKDSA-N 1 1 374.393 3.153 20 5 FGBDMO CN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CC2)C1 ZINC000541284253 504074787 /nfs/dbraw/zinc/07/47/87/504074787.db2.gz XVDFHEMKYAVPPS-CYBMUJFWSA-N 1 1 369.874 3.035 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[NH2+]C1(c2c(Cl)cccc2Cl)CC1 ZINC000538228323 504168675 /nfs/dbraw/zinc/16/86/75/504168675.db2.gz URNYOMPOPTZILQ-UHFFFAOYSA-N 1 1 368.220 3.342 20 5 FGBDMO Cc1cc(NC(=O)C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])n(C(C)(C)C)n1 ZINC000538275752 504184720 /nfs/dbraw/zinc/18/47/20/504184720.db2.gz DLMMOTBAKGORDD-CYBMUJFWSA-N 1 1 359.430 3.144 20 5 FGBDMO COc1ccccc1[C@@H](CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000519578223 504259592 /nfs/dbraw/zinc/25/95/92/504259592.db2.gz HHNUVCFGZWBYDX-RDTXWAMCSA-N 1 1 371.437 3.126 20 5 FGBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534957954 504293746 /nfs/dbraw/zinc/29/37/46/504293746.db2.gz QDKYKAKUSCBMCG-CQSZACIVSA-N 1 1 358.442 3.461 20 5 FGBDMO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000548126822 504340393 /nfs/dbraw/zinc/34/03/93/504340393.db2.gz ZTHUHKITUDQEJO-MRXNPFEDSA-N 1 1 360.458 3.116 20 5 FGBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1OC(F)F ZINC000531656919 504380864 /nfs/dbraw/zinc/38/08/64/504380864.db2.gz XGDNYXSHJDGVQK-KGLIPLIRSA-N 1 1 371.384 3.252 20 5 FGBDMO CSc1ccc(C(=O)N2CCC[N@H+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000520150228 504418880 /nfs/dbraw/zinc/41/88/80/504418880.db2.gz SZSIWBOIHKWFOF-UHFFFAOYSA-N 1 1 351.472 3.263 20 5 FGBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C)C3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000538942608 504424146 /nfs/dbraw/zinc/42/41/46/504424146.db2.gz IINIVBJPVXMJIM-ZIAGYGMSSA-N 1 1 361.442 3.443 20 5 FGBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C)C3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000538942608 504424151 /nfs/dbraw/zinc/42/41/51/504424151.db2.gz IINIVBJPVXMJIM-ZIAGYGMSSA-N 1 1 361.442 3.443 20 5 FGBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCc1ccccc1O ZINC000542317514 504448743 /nfs/dbraw/zinc/44/87/43/504448743.db2.gz AFAPHRUKPIPGSK-UHFFFAOYSA-N 1 1 357.410 3.112 20 5 FGBDMO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000548454165 504451694 /nfs/dbraw/zinc/45/16/94/504451694.db2.gz KBVHZTNKQANJOI-HOCLYGCPSA-N 1 1 365.499 3.408 20 5 FGBDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531878540 504457237 /nfs/dbraw/zinc/45/72/37/504457237.db2.gz IYNWHWMJWWEHPI-HNNXBMFYSA-N 1 1 368.437 3.294 20 5 FGBDMO CCOc1ccc([C@@H](C)[NH2+][C@H](CO)c2ccccc2OC)cc1[N+](=O)[O-] ZINC000539085634 504468129 /nfs/dbraw/zinc/46/81/29/504468129.db2.gz QZCUSWQSDZRMRW-CZUORRHYSA-N 1 1 360.410 3.386 20 5 FGBDMO CC[N@@H+]1CC[C@@H](Nc2c([N+](=O)[O-])ncn2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539107129 504474846 /nfs/dbraw/zinc/47/48/46/504474846.db2.gz NRFXQFMSGORHQI-ZIAGYGMSSA-N 1 1 367.812 3.368 20 5 FGBDMO CC[N@H+]1CC[C@@H](Nc2c([N+](=O)[O-])ncn2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539107129 504474850 /nfs/dbraw/zinc/47/48/50/504474850.db2.gz NRFXQFMSGORHQI-ZIAGYGMSSA-N 1 1 367.812 3.368 20 5 FGBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H](CCCc2ccccc2)C1 ZINC000535624215 504489109 /nfs/dbraw/zinc/48/91/09/504489109.db2.gz MVAHALGFAKBCKE-IBGZPJMESA-N 1 1 369.465 3.491 20 5 FGBDMO CCc1ccc([C@H]([NH2+]CCN2CCO[C@@H](C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542473791 504504184 /nfs/dbraw/zinc/50/41/84/504504184.db2.gz OCBQUDSAPJBQRE-MGPUTAFESA-N 1 1 373.453 3.150 20 5 FGBDMO C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccccc1[N+](=O)[O-] ZINC000539363290 504542145 /nfs/dbraw/zinc/54/21/45/504542145.db2.gz JWKSWCRASDZGOH-RDJZCZTQSA-N 1 1 368.437 3.079 20 5 FGBDMO CC[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000542665707 504570764 /nfs/dbraw/zinc/57/07/64/504570764.db2.gz PSCXIZJFJGEARO-KRWDZBQOSA-N 1 1 366.414 3.249 20 5 FGBDMO CN(C)c1nccc(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)n1 ZINC000542703362 504581983 /nfs/dbraw/zinc/58/19/83/504581983.db2.gz OKFKKMJXFIGLEI-UHFFFAOYSA-N 1 1 353.382 3.001 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@H]2Cc2cccc(F)c2)c1 ZINC000521425973 504733804 /nfs/dbraw/zinc/73/38/04/504733804.db2.gz VGZWCIQYXSCJOT-PKOBYXMFSA-N 1 1 374.412 3.181 20 5 FGBDMO CC[C@@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000549264007 504777325 /nfs/dbraw/zinc/77/73/25/504777325.db2.gz SYGYTBGMUNXBAA-MRXNPFEDSA-N 1 1 356.426 3.099 20 5 FGBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(C[N@@H+](C)CC)c2)c1 ZINC000549421989 504818529 /nfs/dbraw/zinc/81/85/29/504818529.db2.gz YRGFKXCDEGKRKO-UHFFFAOYSA-N 1 1 371.437 3.375 20 5 FGBDMO CC1(C)C[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@@H]2CCC[C@@H]21 ZINC000559432755 504862432 /nfs/dbraw/zinc/86/24/32/504862432.db2.gz VYFYAMPFKMCJRO-LSDHHAIUSA-N 1 1 359.426 3.403 20 5 FGBDMO COc1cccc(NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c1[N+](=O)[O-] ZINC000556479984 504885358 /nfs/dbraw/zinc/88/53/58/504885358.db2.gz IFVDNAUBQASSTK-HNNXBMFYSA-N 1 1 371.437 3.436 20 5 FGBDMO COc1cccc(NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c1[N+](=O)[O-] ZINC000556479984 504885361 /nfs/dbraw/zinc/88/53/61/504885361.db2.gz IFVDNAUBQASSTK-HNNXBMFYSA-N 1 1 371.437 3.436 20 5 FGBDMO COc1cccc(NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c1[N+](=O)[O-] ZINC000556479986 504885396 /nfs/dbraw/zinc/88/53/96/504885396.db2.gz IFVDNAUBQASSTK-OAHLLOKOSA-N 1 1 371.437 3.436 20 5 FGBDMO COc1cccc(NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c1[N+](=O)[O-] ZINC000556479986 504885399 /nfs/dbraw/zinc/88/53/99/504885399.db2.gz IFVDNAUBQASSTK-OAHLLOKOSA-N 1 1 371.437 3.436 20 5 FGBDMO Cc1nc(CC[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)cs1 ZINC000565546651 504919642 /nfs/dbraw/zinc/91/96/42/504919642.db2.gz BTCLLLRBKIOWIF-INIZCTEOSA-N 1 1 357.439 3.015 20 5 FGBDMO Cc1ccc(NC(=O)c2ccc(N3CC[N@@H+](C)C[C@@H]3C)c([N+](=O)[O-])c2)cc1 ZINC000553457951 504919997 /nfs/dbraw/zinc/91/99/97/504919997.db2.gz CTCKARGMDUIGDO-HNNXBMFYSA-N 1 1 368.437 3.296 20 5 FGBDMO Cc1ccc(NC(=O)c2ccc(N3CC[N@H+](C)C[C@@H]3C)c([N+](=O)[O-])c2)cc1 ZINC000553457951 504920003 /nfs/dbraw/zinc/92/00/03/504920003.db2.gz CTCKARGMDUIGDO-HNNXBMFYSA-N 1 1 368.437 3.296 20 5 FGBDMO Cn1ccnc1[C@H](N[C@@H]1CC[N@H+](C2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000556871992 505001185 /nfs/dbraw/zinc/00/11/85/505001185.db2.gz NWWXFIOLHBIWQQ-VQIMIIECSA-N 1 1 369.469 3.024 20 5 FGBDMO C[C@@H](C(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000560238740 505025639 /nfs/dbraw/zinc/02/56/39/505025639.db2.gz UFUBULZOJPPUNG-UZLBHIALSA-N 1 1 367.449 3.084 20 5 FGBDMO C[C@@H](C(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000560238740 505025640 /nfs/dbraw/zinc/02/56/40/505025640.db2.gz UFUBULZOJPPUNG-UZLBHIALSA-N 1 1 367.449 3.084 20 5 FGBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000550445160 505045527 /nfs/dbraw/zinc/04/55/27/505045527.db2.gz PDMYQRJBJUHJPT-GOEBONIOSA-N 1 1 361.442 3.443 20 5 FGBDMO COc1ccccc1-n1nccc1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000566751732 505264012 /nfs/dbraw/zinc/26/40/12/505264012.db2.gz XUOBPNWFIBDDRZ-UHFFFAOYSA-N 1 1 366.421 3.464 20 5 FGBDMO COc1cc(CN2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000551708801 505288230 /nfs/dbraw/zinc/28/82/30/505288230.db2.gz MKLWSBFSWVNFNG-QGZVFWFLSA-N 1 1 373.428 3.101 20 5 FGBDMO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000558025155 505288917 /nfs/dbraw/zinc/28/89/17/505288917.db2.gz ISQSQYQTCZKPBA-SLEUVZQESA-N 1 1 351.834 3.051 20 5 FGBDMO CCOC1(C[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000561278611 505302059 /nfs/dbraw/zinc/30/20/59/505302059.db2.gz MQXJBLNZKOXWBT-KRWDZBQOSA-N 1 1 358.442 3.357 20 5 FGBDMO C[N@@H+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@@H]1Cc1ccccc1 ZINC000551795402 505309251 /nfs/dbraw/zinc/30/92/51/505309251.db2.gz NJCQFLZNXMEGMA-SFHVURJKSA-N 1 1 373.840 3.247 20 5 FGBDMO C[N@H+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@@H]1Cc1ccccc1 ZINC000551795402 505309255 /nfs/dbraw/zinc/30/92/55/505309255.db2.gz NJCQFLZNXMEGMA-SFHVURJKSA-N 1 1 373.840 3.247 20 5 FGBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000561428476 505342952 /nfs/dbraw/zinc/34/29/52/505342952.db2.gz FNVSKJDSHPGWTD-LBPRGKRZSA-N 1 1 359.348 3.218 20 5 FGBDMO CCC[N@@H+](CC)C[C@@H](C)NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000567087708 505359933 /nfs/dbraw/zinc/35/99/33/505359933.db2.gz CFZIGGFZRFRHQK-OAHLLOKOSA-N 1 1 359.474 3.205 20 5 FGBDMO CCCN(CC)C[C@@H](C)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000567087708 505359936 /nfs/dbraw/zinc/35/99/36/505359936.db2.gz CFZIGGFZRFRHQK-OAHLLOKOSA-N 1 1 359.474 3.205 20 5 FGBDMO Cc1c(Cc2noc(Cn3c[nH+]c4c3CCCC4)n2)cccc1[N+](=O)[O-] ZINC000558356683 505366937 /nfs/dbraw/zinc/36/69/37/505366937.db2.gz OPCODBYJLALVPX-UHFFFAOYSA-N 1 1 353.382 3.001 20 5 FGBDMO CNC(=O)c1ccc(NCc2ccccc2-n2cc[nH+]c2C)c([N+](=O)[O-])c1 ZINC000555191763 505374919 /nfs/dbraw/zinc/37/49/19/505374919.db2.gz MGDJNJAYBHSPDO-UHFFFAOYSA-N 1 1 365.393 3.061 20 5 FGBDMO C[C@@H]1CCC[C@](CNCCC(=O)Nc2ccccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000558573363 505427165 /nfs/dbraw/zinc/42/71/65/505427165.db2.gz JKHGDTDJUJVDBZ-BEFAXECRSA-N 1 1 362.474 3.024 20 5 FGBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@@H](C)C1 ZINC000561760740 505428555 /nfs/dbraw/zinc/42/85/55/505428555.db2.gz BROQHZPOLXEQQW-ZENOOKHLSA-N 1 1 357.410 3.143 20 5 FGBDMO CCO[C@@H]1C[C@H]1[NH2+]Cc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000567332808 505432932 /nfs/dbraw/zinc/43/29/32/505432932.db2.gz KIRGQODOXOAXKK-SJLPKXTDSA-N 1 1 372.421 3.449 20 5 FGBDMO CO[C@]1(C)C[C@@H]([NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000552248504 505440776 /nfs/dbraw/zinc/44/07/76/505440776.db2.gz JLWDAGVLMFSPBI-JTDSTZFVSA-N 1 1 358.442 3.211 20 5 FGBDMO C[N@@H+](C[C@@H](O)CNc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C1CC1 ZINC000567493904 505479425 /nfs/dbraw/zinc/47/94/25/505479425.db2.gz MJFPGPSNWCZASX-KRWDZBQOSA-N 1 1 357.410 3.254 20 5 FGBDMO Cc1cc(NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c(F)cc1[N+](=O)[O-] ZINC000596424185 506398205 /nfs/dbraw/zinc/39/82/05/506398205.db2.gz QRSNJDKENMZENH-MRXNPFEDSA-N 1 1 359.401 3.221 20 5 FGBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593141642 506421042 /nfs/dbraw/zinc/42/10/42/506421042.db2.gz BHEBKHWUDKOQAY-UHFFFAOYSA-N 1 1 373.384 3.050 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000612174765 506473090 /nfs/dbraw/zinc/47/30/90/506473090.db2.gz SNAFYDGOGDQEES-ACJLOTCBSA-N 1 1 373.384 3.214 20 5 FGBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000612174765 506473093 /nfs/dbraw/zinc/47/30/93/506473093.db2.gz SNAFYDGOGDQEES-ACJLOTCBSA-N 1 1 373.384 3.214 20 5 FGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000612174726 506473135 /nfs/dbraw/zinc/47/31/35/506473135.db2.gz NPZVUNWLOWSMKM-UGSOOPFHSA-N 1 1 373.384 3.214 20 5 FGBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000612174726 506473137 /nfs/dbraw/zinc/47/31/37/506473137.db2.gz NPZVUNWLOWSMKM-UGSOOPFHSA-N 1 1 373.384 3.214 20 5 FGBDMO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000593226033 506479072 /nfs/dbraw/zinc/47/90/72/506479072.db2.gz HLVSSGCCOGPMGL-ARFHVFGLSA-N 1 1 370.453 3.057 20 5 FGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1 ZINC000589309759 506513426 /nfs/dbraw/zinc/51/34/26/506513426.db2.gz OJLLPPGAWYYEPD-OAHLLOKOSA-N 1 1 350.806 3.161 20 5 FGBDMO C[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@@H]1C(=O)OC(C)(C)C ZINC000599586115 506513382 /nfs/dbraw/zinc/51/33/82/506513382.db2.gz GNEQMAWFLHKGJW-GJZGRUSLSA-N 1 1 364.442 3.273 20 5 FGBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000599616519 506532070 /nfs/dbraw/zinc/53/20/70/506532070.db2.gz ANGYXGKSPWRRAN-UHFFFAOYSA-N 1 1 354.410 3.089 20 5 FGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000599616519 506532073 /nfs/dbraw/zinc/53/20/73/506532073.db2.gz ANGYXGKSPWRRAN-UHFFFAOYSA-N 1 1 354.410 3.089 20 5 FGBDMO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000593319905 506537355 /nfs/dbraw/zinc/53/73/55/506537355.db2.gz FYBCUMZSXMOLMR-XOKHGSTOSA-N 1 1 353.850 3.109 20 5 FGBDMO Cn1ccnc1[C@@H]([NH2+][C@H]1CNc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000593321489 506538422 /nfs/dbraw/zinc/53/84/22/506538422.db2.gz XTHDKDHVGNVBDR-APWZRJJASA-N 1 1 363.421 3.044 20 5 FGBDMO CCC[N@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000589499623 506571009 /nfs/dbraw/zinc/57/10/09/506571009.db2.gz YDVAUDQZWCOUAB-MRXNPFEDSA-N 1 1 350.415 3.163 20 5 FGBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593445523 506623122 /nfs/dbraw/zinc/62/31/22/506623122.db2.gz ZBRMMMCTLNFKSE-MRXNPFEDSA-N 1 1 351.422 3.047 20 5 FGBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2CCc2ccccc2)c1 ZINC000603840476 506631032 /nfs/dbraw/zinc/63/10/32/506631032.db2.gz HHKAUBWHHHFRAY-ICSRJNTNSA-N 1 1 370.449 3.432 20 5 FGBDMO COc1ccc(C)cc1CN1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000603849739 506634112 /nfs/dbraw/zinc/63/41/12/506634112.db2.gz CQSAKQWGCHLHIQ-UHFFFAOYSA-N 1 1 369.465 3.272 20 5 FGBDMO COc1ccc([N+](=O)[O-])c(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000583203857 506647653 /nfs/dbraw/zinc/64/76/53/506647653.db2.gz XJIIYMXACZLZSH-SFHVURJKSA-N 1 1 372.421 3.273 20 5 FGBDMO O=C1C[C@@H]([NH+]2CCC3(CCCCC3)CC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000608834624 506721934 /nfs/dbraw/zinc/72/19/34/506721934.db2.gz JGBSNRNJVTZWCX-QGZVFWFLSA-N 1 1 371.437 3.273 20 5 FGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000609309952 506844620 /nfs/dbraw/zinc/84/46/20/506844620.db2.gz PYDSCQOMEZGLMJ-KGLIPLIRSA-N 1 1 363.483 3.209 20 5 FGBDMO CN(C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000604484227 506845010 /nfs/dbraw/zinc/84/50/10/506845010.db2.gz GDPCMDYDAGTTGV-GOSISDBHSA-N 1 1 355.394 3.100 20 5 FGBDMO CN(C(=O)C[N@H+]1CCC[C@@H]1c1ccc(O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000604484227 506845013 /nfs/dbraw/zinc/84/50/13/506845013.db2.gz GDPCMDYDAGTTGV-GOSISDBHSA-N 1 1 355.394 3.100 20 5 FGBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000600228369 506859552 /nfs/dbraw/zinc/85/95/52/506859552.db2.gz KLEKOGSVIVCBQF-INIZCTEOSA-N 1 1 357.410 3.478 20 5 FGBDMO CC(C)(C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000600228416 506860364 /nfs/dbraw/zinc/86/03/64/506860364.db2.gz LTDKQSXJNUQYDP-GOSISDBHSA-N 1 1 359.470 3.396 20 5 FGBDMO Cc1ccc(OCC[N@@H+](C)[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000609449064 506885945 /nfs/dbraw/zinc/88/59/45/506885945.db2.gz PZSAADFULXLAAO-IBGZPJMESA-N 1 1 369.421 3.019 20 5 FGBDMO Cc1ccc(OCC[N@H+](C)[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000609449064 506885948 /nfs/dbraw/zinc/88/59/48/506885948.db2.gz PZSAADFULXLAAO-IBGZPJMESA-N 1 1 369.421 3.019 20 5 FGBDMO C[N@H+]1CCCC[C@H](CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000600316260 506900870 /nfs/dbraw/zinc/90/08/70/506900870.db2.gz YPAJGVPWLYNRIR-CYBMUJFWSA-N 1 1 374.466 3.180 20 5 FGBDMO C[N@@H+](Cc1ccccc1)C1(CNc2cc(N)c([N+](=O)[O-])c(CO)c2)CCC1 ZINC000590714827 506922627 /nfs/dbraw/zinc/92/26/27/506922627.db2.gz TZGHNKUXZRTZIJ-UHFFFAOYSA-N 1 1 370.453 3.136 20 5 FGBDMO CN1CCC([N@H+]2CC[C@@H](Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)CC1 ZINC000609574949 506927788 /nfs/dbraw/zinc/92/77/88/506927788.db2.gz AKAJPTQHODNCCY-CYBMUJFWSA-N 1 1 372.391 3.194 20 5 FGBDMO C[NH+]1CCC(N2CC[C@@H](Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)CC1 ZINC000609574949 506927793 /nfs/dbraw/zinc/92/77/93/506927793.db2.gz AKAJPTQHODNCCY-CYBMUJFWSA-N 1 1 372.391 3.194 20 5 FGBDMO Cc1ccc([C@@H]2CCC[N@@H+]2[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)o1 ZINC000609706028 506978734 /nfs/dbraw/zinc/97/87/34/506978734.db2.gz MJRDVMOLLXJDBT-IRXDYDNUSA-N 1 1 355.394 3.439 20 5 FGBDMO Cc1ccc([C@@H]2CCC[N@H+]2[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)o1 ZINC000609706028 506978739 /nfs/dbraw/zinc/97/87/39/506978739.db2.gz MJRDVMOLLXJDBT-IRXDYDNUSA-N 1 1 355.394 3.439 20 5 FGBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594198209 507000945 /nfs/dbraw/zinc/00/09/45/507000945.db2.gz TZDRKFNJPJIEHZ-CVEARBPZSA-N 1 1 363.483 3.454 20 5 FGBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000594198087 507001083 /nfs/dbraw/zinc/00/10/83/507001083.db2.gz ROOVERPHZSQYIH-KGLIPLIRSA-N 1 1 371.359 3.360 20 5 FGBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000597606936 507029624 /nfs/dbraw/zinc/02/96/24/507029624.db2.gz ZGYMGDUZVQZXFX-ZDUSSCGKSA-N 1 1 359.348 3.170 20 5 FGBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000609995733 507065600 /nfs/dbraw/zinc/06/56/00/507065600.db2.gz JFVACOUASDFZPC-ZBFHGGJFSA-N 1 1 356.426 3.048 20 5 FGBDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C2 ZINC000597714148 507071618 /nfs/dbraw/zinc/07/16/18/507071618.db2.gz GUABSQCNCLKOMF-INIZCTEOSA-N 1 1 371.359 3.172 20 5 FGBDMO C[C@H](C1CC1)[N@H+](C)CC(=O)Nc1cc(N(C)[C@@H](C)C2CC2)ccc1[N+](=O)[O-] ZINC000591010684 507076307 /nfs/dbraw/zinc/07/63/07/507076307.db2.gz NPPKXNAHMKWDPL-KGLIPLIRSA-N 1 1 374.485 3.498 20 5 FGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597855604 507135790 /nfs/dbraw/zinc/13/57/90/507135790.db2.gz TZSASULUBGAWEO-ZIAGYGMSSA-N 1 1 365.499 3.312 20 5 FGBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000597859669 507138023 /nfs/dbraw/zinc/13/80/23/507138023.db2.gz XKEPAFYNMYWPFP-OCCSQVGLSA-N 1 1 351.472 3.064 20 5 FGBDMO C[C@@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)CC[N@H+]1Cc1ccccc1 ZINC000591194709 507149405 /nfs/dbraw/zinc/14/94/05/507149405.db2.gz ADPRCJDEQLQGSL-OAHLLOKOSA-N 1 1 363.421 3.249 20 5 FGBDMO O=C1C[C@@H]([NH+]2CCC(C3CCCC3)CC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000610259241 507165032 /nfs/dbraw/zinc/16/50/32/507165032.db2.gz BTRRBQIQJQUKQH-GOSISDBHSA-N 1 1 371.437 3.129 20 5 FGBDMO Cc1cnc(OC2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)nc1 ZINC000594612454 507211774 /nfs/dbraw/zinc/21/17/74/507211774.db2.gz LDIUMUJBEXZEHW-GQCTYLIASA-N 1 1 354.410 3.250 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC(c4nnc5n4CCC5)CC3)c2c1 ZINC000601105118 507262532 /nfs/dbraw/zinc/26/25/32/507262532.db2.gz AFPQZUVKJGMXFO-UHFFFAOYSA-N 1 1 364.409 3.065 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[C@H](c4nnc5n4CCC5)C3)c2c1 ZINC000601113746 507265127 /nfs/dbraw/zinc/26/51/27/507265127.db2.gz PZYOEGKNKRGPBW-ZDUSSCGKSA-N 1 1 364.409 3.065 20 5 FGBDMO Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)c(N2CCCC2)[nH+]1 ZINC000591531207 507280657 /nfs/dbraw/zinc/28/06/57/507280657.db2.gz IYZXMLXLTQTEID-UHFFFAOYSA-N 1 1 368.437 3.445 20 5 FGBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[C@@H]([C@@H](O)C(F)(F)F)C3)c2c1 ZINC000601154495 507281150 /nfs/dbraw/zinc/28/11/50/507281150.db2.gz MIELGXACXVYDAP-MEBBXXQBSA-N 1 1 355.316 3.283 20 5 FGBDMO COc1ccc(C[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1OC ZINC000610580677 507300704 /nfs/dbraw/zinc/30/07/04/507300704.db2.gz AOMHXZBDZGUEQD-UHFFFAOYSA-N 1 1 357.366 3.385 20 5 FGBDMO COc1ccc(C[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1OC ZINC000610580677 507300708 /nfs/dbraw/zinc/30/07/08/507300708.db2.gz AOMHXZBDZGUEQD-UHFFFAOYSA-N 1 1 357.366 3.385 20 5 FGBDMO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000598221935 507324572 /nfs/dbraw/zinc/32/45/72/507324572.db2.gz ZBYFXFNJWKLRNG-AYOQOUSVSA-N 1 1 357.454 3.222 20 5 FGBDMO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000598220459 507324832 /nfs/dbraw/zinc/32/48/32/507324832.db2.gz PKWBWMVPCODEQV-MRXNPFEDSA-N 1 1 372.469 3.306 20 5 FGBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000610661087 507336073 /nfs/dbraw/zinc/33/60/73/507336073.db2.gz ZGTVVYGVGIWQQM-UHFFFAOYSA-N 1 1 354.410 3.349 20 5 FGBDMO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000584461859 507357944 /nfs/dbraw/zinc/35/79/44/507357944.db2.gz DFLCHOWPWCOFPQ-KEYYUXOJSA-N 1 1 374.412 3.481 20 5 FGBDMO C[C@@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000595050132 507368234 /nfs/dbraw/zinc/36/82/34/507368234.db2.gz PZGADHQNYBENRS-KSSFIOAISA-N 1 1 351.410 3.206 20 5 FGBDMO C[C@@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000595048651 507368319 /nfs/dbraw/zinc/36/83/19/507368319.db2.gz KTPFPSOETVHVIK-KSSFIOAISA-N 1 1 351.410 3.206 20 5 FGBDMO COc1cc(C[N@@H+]2CCOCC3(CCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000614253569 507429172 /nfs/dbraw/zinc/42/91/72/507429172.db2.gz LYUCPBJTGLZRTI-UHFFFAOYSA-N 1 1 350.415 3.005 20 5 FGBDMO COc1cc(C[N@H+]2CCOCC3(CCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000614253569 507429178 /nfs/dbraw/zinc/42/91/78/507429178.db2.gz LYUCPBJTGLZRTI-UHFFFAOYSA-N 1 1 350.415 3.005 20 5 FGBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000595320965 507459769 /nfs/dbraw/zinc/45/97/69/507459769.db2.gz JBVYFMLYIPOXGK-CQSZACIVSA-N 1 1 355.373 3.156 20 5 FGBDMO O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000598512325 507467994 /nfs/dbraw/zinc/46/79/94/507467994.db2.gz XBANJWNAWMMDPP-QGZVFWFLSA-N 1 1 365.389 3.345 20 5 FGBDMO O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000598512325 507467997 /nfs/dbraw/zinc/46/79/97/507467997.db2.gz XBANJWNAWMMDPP-QGZVFWFLSA-N 1 1 365.389 3.345 20 5 FGBDMO O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000598510892 507468510 /nfs/dbraw/zinc/46/85/10/507468510.db2.gz QWICMFUGVXAIDJ-HNNXBMFYSA-N 1 1 359.813 3.253 20 5 FGBDMO O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000598510892 507468515 /nfs/dbraw/zinc/46/85/15/507468515.db2.gz QWICMFUGVXAIDJ-HNNXBMFYSA-N 1 1 359.813 3.253 20 5 FGBDMO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000598558075 507485250 /nfs/dbraw/zinc/48/52/50/507485250.db2.gz CFHMNBAYBCEVLJ-CYBMUJFWSA-N 1 1 351.834 3.100 20 5 FGBDMO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1cccc(F)c1OC(F)F)CC2 ZINC000595425952 507491089 /nfs/dbraw/zinc/49/10/89/507491089.db2.gz WHIYAQBIXYLEGM-UHFFFAOYSA-N 1 1 353.300 3.289 20 5 FGBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1cccc(F)c1OC(F)F)CC2 ZINC000595425952 507491093 /nfs/dbraw/zinc/49/10/93/507491093.db2.gz WHIYAQBIXYLEGM-UHFFFAOYSA-N 1 1 353.300 3.289 20 5 FGBDMO CC(C)n1cc(C2=CCC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CC2)nn1 ZINC000595516913 507540119 /nfs/dbraw/zinc/54/01/19/507540119.db2.gz PZJLEDXWDCULEZ-UHFFFAOYSA-N 1 1 371.441 3.325 20 5 FGBDMO Cc1noc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c1[N+](=O)[O-] ZINC000595543390 507551948 /nfs/dbraw/zinc/55/19/48/507551948.db2.gz YZKODNSQKJKXRE-GFCCVEGCSA-N 1 1 363.336 3.072 20 5 FGBDMO Cc1noc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c1[N+](=O)[O-] ZINC000595543390 507551955 /nfs/dbraw/zinc/55/19/55/507551955.db2.gz YZKODNSQKJKXRE-GFCCVEGCSA-N 1 1 363.336 3.072 20 5 FGBDMO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611286843 507606189 /nfs/dbraw/zinc/60/61/89/507606189.db2.gz QZYIYHSXBGVPFZ-UGSOOPFHSA-N 1 1 370.405 3.190 20 5 FGBDMO CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000602158734 507608646 /nfs/dbraw/zinc/60/86/46/507608646.db2.gz DSTVRXDNTYCKKP-INIZCTEOSA-N 1 1 356.426 3.321 20 5 FGBDMO Cc1cc(OC[C@@H](O)C[N@H+](C)Cc2ccccc2)c(Cl)cc1[N+](=O)[O-] ZINC000585819136 507646776 /nfs/dbraw/zinc/64/67/76/507646776.db2.gz GMTHACNHJCPMDO-HNNXBMFYSA-N 1 1 364.829 3.428 20 5 FGBDMO Cc1ccc(N2CCC(C(=O)N[C@@H](C)c3ccccc3[N+](=O)[O-])CC2)[nH+]c1 ZINC000611377838 507648925 /nfs/dbraw/zinc/64/89/25/507648925.db2.gz GNPPLZZFVLPSJO-HNNXBMFYSA-N 1 1 368.437 3.392 20 5 FGBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)[C@@H]2CCCC[C@H]12 ZINC000595731000 507652379 /nfs/dbraw/zinc/65/23/79/507652379.db2.gz FNZCMKUMPRZCJH-BRWVUGGUSA-N 1 1 362.426 3.157 20 5 FGBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)cc1 ZINC000595748422 507662518 /nfs/dbraw/zinc/66/25/18/507662518.db2.gz UAXSQRIPPBGIBD-GHTZIAJQSA-N 1 1 370.449 3.462 20 5 FGBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000598888400 507664046 /nfs/dbraw/zinc/66/40/46/507664046.db2.gz JBNXWUDZIMVPGC-UHFFFAOYSA-N 1 1 361.364 3.464 20 5 FGBDMO CC(C)(C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000611415876 507671576 /nfs/dbraw/zinc/67/15/76/507671576.db2.gz YNGLXLOPVVJVGH-UHFFFAOYSA-N 1 1 367.449 3.330 20 5 FGBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000595784524 507683112 /nfs/dbraw/zinc/68/31/12/507683112.db2.gz AXERGSJDLUTCSW-KDOFPFPSSA-N 1 1 361.442 3.203 20 5 FGBDMO COc1ccc(OCC[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c([N+](=O)[O-])c1 ZINC000595786938 507685906 /nfs/dbraw/zinc/68/59/06/507685906.db2.gz CZANTUCWIOGXBV-MAUKXSAKSA-N 1 1 364.442 3.263 20 5 FGBDMO O=C(CC[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595788862 507686762 /nfs/dbraw/zinc/68/67/62/507686762.db2.gz KBQGSZCYAUNFJS-YJBOKZPZSA-N 1 1 361.442 3.205 20 5 FGBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000587987471 507724580 /nfs/dbraw/zinc/72/45/80/507724580.db2.gz ZIZNSAYYYGVFGV-AWEZNQCLSA-N 1 1 369.450 3.310 20 5 FGBDMO CC[N@H+]1CCC[C@@H](CNCc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602523756 507736100 /nfs/dbraw/zinc/73/61/00/507736100.db2.gz HCDMTERZDNWJSR-JTQLQIEISA-N 1 1 362.293 3.240 20 5 FGBDMO Cc1noc(C)c1[C@@H](C)C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000611560878 507739532 /nfs/dbraw/zinc/73/95/32/507739532.db2.gz VYMOUWOYPIRLOI-KPZWWZAWSA-N 1 1 369.425 3.416 20 5 FGBDMO CCO[C@@H]1C[C@@H]([NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000611560939 507741167 /nfs/dbraw/zinc/74/11/67/507741167.db2.gz PZFWMWDZGLKXJB-KURKYZTESA-N 1 1 370.453 3.355 20 5 FGBDMO CC(C)[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000820121249 606158913 /nfs/dbraw/zinc/15/89/13/606158913.db2.gz NZQLWRSJBAYFEX-UHFFFAOYSA-N 1 1 370.388 3.325 20 5 FGBDMO CC(C)[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000820121249 606158915 /nfs/dbraw/zinc/15/89/15/606158915.db2.gz NZQLWRSJBAYFEX-UHFFFAOYSA-N 1 1 370.388 3.325 20 5 FGBDMO